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Cyclic AMP-dependent transcription factor ATF-7

Stress-responsive chromatin regulator that plays a role in various biological processes including innate immunological memory, adipocyte differentiation or telomerase regulation. In absence of stress, contributes to the formation of heterochromatin and heterochromatin-like structure by recruiting histone H3K9 tri- and di-methyltransferases thus silencing the transcription of target genes such as STAT1 in adipocytes, or genes involved in innate immunity in macrophages and adipocytes. Stress induces ATF7 phosphorylation that disrupts interactions with histone methyltransferase and enhances the association with coactivators containing histone acetyltransferase and/or histone demethylase, leading to disruption of the heterochromatin-like structure and subsequently transcriptional activation. In response to TNF-alpha, which is induced by various stresses, phosphorylated ATF7 and telomerase are released from telomeres leading to telomere shortening.

AlphaFold DB , UniProt , Accession A0A2K5YZP5, Species MANLE (Mandrillus leucophaeus, Drill), Gene ATF7, Length 494 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
1M45.3Very low75.3Confident249 Ų24994.6 Ų94.6100%1.22752%0.519SS*.  0140.10-70164.3175.300106.9
2G51.6Low76Confident58 Ų5897.2 Ų97.260%0.59854%0.544SS*.  trans-73.4142.7-176.300000112.1D4G2-D4 PolarHBondContact O-N 3.1Å
3D60.5Low76.2Confident121 Ų12196.9 Ų96.965%0.64758%0.577SS**  trans-81.458.4166.5-132.3-66000108.3R5D3-R5 PolarHBondContact O-N 3.19Å; D3-R5 IonicContact OD1-CZ 2.8Å; D3-R5 IonicContact OD1-NE 2.72Å; D3-R5 PolarHBondContact OD1-NE 3.46Å; D3-R5 IonicContact OD1-NH2 3.55Å; D3-R5 PolarHBondContact OD1-NH2 3.21Å; D3-R5 IonicContact OD2-NH2 2.73Å
4D71.3Confident77Confident133 Ų13392.5 Ų92.571%0.71155%0.552SS**  trans-68.7104.1-173.7-79.8-62.7000110.2G2 P6G2-D4 PolarHBondContact O-N 3.1Å; D4-P6 WeakPolarHBondContact O-CD 3.48Å
5R80.8Confident77.4Confident114 Ų11489.5 Ų89.543%0.4355%0.548SS..  trans-114.575179.5-65.2177.8-168.2-142.21.8109.3D3 F7 R17 F18 T19D3-R5 PolarHBondContact O-N 3.19Å; D3-R5 IonicContact OD1-CZ 2.8Å; D3-R5 IonicContact OD1-NE 2.72Å; D3-R5 PolarHBondContact OD1-NE 3.46Å; D3-R5 IonicContact OD1-NH2 3.55Å; D3-R5 PolarHBondContact OD1-NH2 3.21Å; D3-R5 IonicContact OD2-NH2 2.73Å; R5-F7 VanDerWaalsContact C-N 3.28Å; R5-F7 PolarHBondContact O-N 3.21Å; R5-R17 HydrophobicContact CB-CB 3.8Å; R5-F18 CarbonylContact C-O 3.59Å; R5-F18 VanDerWaalsContact CA-O 3.26Å; R5-F18 WeakPolarHBondContact CA-O 3.47Å; R5-F18 WeakPolarHBondContact CB-O 3.41Å; R5-T19 HydrophobicContact CG-CG2 3.83Å
6P83.8Confident78Confident88 Ų8890 Ų9057%0.57154%0.542SS*.  trans-71.2-23.4-173.629.1-35.3000112.7D4 V8D4-P6 WeakPolarHBondContact O-CD 3.48Å; P6-V8 PolarHBondContact O-N 3.38Å
7F87.4Confident78.7Confident64 Ų6493.6 Ų93.628%0.28154%0.544SS..EExtended strand (participates in β ladder)trans-83.6104.3-176.3-57.5-76.6000110.9R5 R17 F18 T19 N20 E21 L24R5-F7 VanDerWaalsContact C-N 3.28Å; R5-F7 PolarHBondContact O-N 3.21Å; F7-R17 WeakPolarHBondContact O-CA 3.32Å; F7-F18 HydrophobicContact CB-CB 4.3Å; F7-F18 PolarHBondContact N-O 3.4Å; F7-F18 PolarHBondContact O-N 2.89Å; F7-T19 WeakPolarHBondContact CD2-O 3.49Å; F7-T19 WeakPolarHBondContact CE2-O 3.32Å; F7-N20 VanDerWaalsContact CD2-C 3.44Å; F7-E21 HydrophobicContact CD1-CB 3.79Å; F7-E21 HydrophobicContact CD1-CG 4.15Å; F7-E21 HydrophobicContact CE1-CB 3.63Å; F7-E21 HydrophobicContact CE1-CG 4.2Å; F7-E21 HydrophobicContact CG-CB 4.33Å; F7-E21 HydrophobicContact CZ-CB 4.04Å; F7-L24 HydrophobicContact CB-CB 4.11Å; F7-L24 HydrophobicContact CB-CD2 3.82Å
8V88.6Confident79.3Confident37 Ų3790.4 Ų90.422%0.22452%0.523CS..EExtended strand (participates in β ladder)trans-105.4142-176.9-166.80000112P6 N10 Q16 R17 L24P6-V8 PolarHBondContact O-N 3.38Å; V8-N10 PolarHBondContact O-N 3.15Å; V8-Q16 CarbonylContact C-O 3.38Å; V8-R17 HydrophobicContact CG1-CG 4.23Å; V8-R17 HydrophobicContact CG2-CG 4.11Å; V8-L24 WeakPolarHBondContact O-CD2 3.47Å
9C90.1Very high79.9Confident4 Ų488.9 Ų88.93%0.02752%0.515CS..  trans-81.9105.3170.2-169.90000111.8A11 G15 Q16 F18 L24 H27C9-A11 PolarHBondContact O-N 2.91Å; C9-A11 VanDerWaalsContact SG-CB 3.59Å; C9-G15 PolarHBondContact O-N 3.26Å; C9-Q16 PolarHBondContact N-O 3.43Å; C9-F18 HydrophobicContact CB-CE2 4.47Å; C9-L24 HydrophobicContact CB-CD1 3.76Å; C9-H27 PolarHBondContact SG-CD2 2.93Å; C9-H27 PolarHBondContact SG-NE2 3.23Å; C9-H27 VanDerWaalsContact SG-NE2 3.43Å
10N86.9Confident80.4Confident148 Ų14888.1 Ų88.179%0.79151%0.509SS*.  trans-76.911.6177.3-61.2-7.4000113.8V8V8-N10 PolarHBondContact O-N 3.15Å
11A82.4Confident80.8Confident25 Ų2589.1 Ų89.121%0.20751%0.509CS..SBendtrans-67.6133.2172.300000109.8C9 G13 C14C9-A11 PolarHBondContact O-N 2.91Å; C9-A11 VanDerWaalsContact SG-CB 3.59Å; A11-G13 PolarHBondContact O-N 3.38Å; A11-C14 HydrophobicContact CB-CB 3.96Å; A11-C14 WeakPolarHBondContact O-CB 3.49Å; A11-C14 PolarHBondContact O-N 3.49Å
12P82.9Confident82.9Confident125 Ų12582.9 Ų82.981%0.81248%0.48SS*.THydrogen-bonded Turntrans-59.6126.6-174.623.3-33.4000110.9C14P12-C14 VanDerWaalsContact C-N 3.34Å
13G78.7Confident84.8Confident94 Ų9484.9 Ų84.997%0.96947%0.474SS*.THydrogen-bonded Turntrans79.63.1-176.800000115.9A11A11-G13 PolarHBondContact O-N 3.38Å
14C87.4Confident86.3Confident35 Ų3579.4 Ų79.424%0.23645%0.445CS..THydrogen-bonded Turntrans-95.9-59.7-177.2-166.50000114.8A11 P12 Q16 H27 H31A11-C14 HydrophobicContact CB-CB 3.96Å; A11-C14 WeakPolarHBondContact O-CB 3.49Å; A11-C14 PolarHBondContact O-N 3.49Å; P12-C14 VanDerWaalsContact C-N 3.34Å; C14-Q16 PolarHBondContact O-N 3.42Å; C14-H27 VanDerWaalsContact SG-CE1 3.58Å; C14-H27 PolarHBondContact SG-NE2 3.37Å; C14-H31 PolarHBondContact SG-CE1 3.14Å; C14-H31 PolarHBondContact SG-NE2 3.12Å; C14-H31 VanDerWaalsContact SG-NE2 3.38Å
15G83Confident87.1Confident48 Ų4875.5 Ų75.550%0.49543%0.431SS..  trans62.34.5173.100000117.6C9C9-G15 PolarHBondContact O-N 3.26Å
16Q86.8Confident87.4Confident97 Ų9775.5 Ų75.545%0.45344%0.443SS..  trans-64.8141.5-177-68.4-164.6-11.600112.1V8 C9 C14 F18 H27V8-Q16 CarbonylContact C-O 3.38Å; C9-Q16 PolarHBondContact N-O 3.43Å; C14-Q16 PolarHBondContact O-N 3.42Å; Q16-F18 HydrophobicContact CB-CE2 3.78Å; Q16-F18 HydrophobicContact CB-CZ 3.75Å; Q16-H27 PolarHBondContact OE1-CE1 3.44Å; Q16-H27 PolarHBondContact OE1-ND1 3.33Å
17R90.4Very high87.7Confident152 Ų15272 Ų7257%0.57442%0.42SS*.EExtended strand (participates in β ladder)trans-117.1136.7-176.2-58.5-171.6171.1-108.81.1111.6R5 F7 V8R5-R17 HydrophobicContact CB-CB 3.8Å; F7-R17 WeakPolarHBondContact O-CA 3.32Å; V8-R17 HydrophobicContact CG1-CG 4.23Å; V8-R17 HydrophobicContact CG2-CG 4.11Å
18F89.1Confident87.6Confident36 Ų3673.8 Ų73.816%0.15843%0.427CS..EExtended strand (participates in β ladder)trans-125.3148.5-174.7-56.9-83.1000111.1R5 F7 C9 Q16 N20 H23 L24 H27R5-F18 CarbonylContact C-O 3.59Å; R5-F18 VanDerWaalsContact CA-O 3.26Å; R5-F18 WeakPolarHBondContact CA-O 3.47Å; R5-F18 WeakPolarHBondContact CB-O 3.41Å; F7-F18 HydrophobicContact CB-CB 4.3Å; F7-F18 PolarHBondContact N-O 3.4Å; F7-F18 PolarHBondContact O-N 2.89Å; C9-F18 HydrophobicContact CB-CE2 4.47Å; Q16-F18 HydrophobicContact CB-CE2 3.78Å; Q16-F18 HydrophobicContact CB-CZ 3.75Å; F18-N20 VanDerWaalsContact C-N 3.35Å; F18-H23 HydrophobicContact CB-CB 4Å; F18-H23 HydrophobicContact CD1-CB 3.68Å; F18-H23 HydrophobicContact CG-CB 4.05Å; F18-L24 HydrophobicContact CB-CB 4.37Å; F18-L24 HydrophobicContact CD2-CB 3.8Å; F18-L24 HydrophobicContact CD2-CD1 3.9Å; F18-L24 HydrophobicContact CD2-CG 4.44Å; F18-L24 HydrophobicContact CE2-CD1 4.02Å; F18-L24 HydrophobicContact CG-CB 4.26Å; F18-H27 HydrophobicContact CE1-CB 4.28Å; F18-H27 HydrophobicContact CE2-CB 4.01Å; F18-H27 AromaticContact CE2-CG 3.8Å; F18-H27 HydrophobicContact CZ-CB 3.67Å; F18-H27 AromaticContact CZ-CG 3.46Å; F18-H27 VanDerWaalsContact CZ-CG 3.46Å; F18-H27 AromaticContact CZ-ND1 3.46Å; F18-H27 WeakPolarHBondContact CZ-ND1 3.34Å
19T91.3Very high87.4Confident61 Ų6176.5 Ų76.537%0.37444%0.437SS..SBendtrans-71.3-30.8174.3530000112.2R5 F7R5-T19 HydrophobicContact CG-CG2 3.83Å; F7-T19 WeakPolarHBondContact CD2-O 3.49Å; F7-T19 WeakPolarHBondContact CE2-O 3.32Å
20N88.9Confident87Confident73 Ų7382.1 Ų82.139%0.3946%0.461SS..SBendtrans-128.1149.5-172-56.936.3000110F7 F18 H23 L24F7-N20 VanDerWaalsContact CD2-C 3.44Å; F18-N20 VanDerWaalsContact C-N 3.35Å; N20-H23 PolarHBondContact O-N 2.99Å; N20-L24 PolarHBondContact O-N 3.21Å
21E89.4Confident86.6Confident110 Ų11077.9 Ų77.951%0.51444%0.436SS..Hα-helixtrans-66.2-36.8177.5-171152.1-157.900112.9F7 H23 L24 A25F7-E21 HydrophobicContact CD1-CB 3.79Å; F7-E21 HydrophobicContact CD1-CG 4.15Å; F7-E21 HydrophobicContact CE1-CB 3.63Å; F7-E21 HydrophobicContact CE1-CG 4.2Å; F7-E21 HydrophobicContact CG-CB 4.33Å; F7-E21 HydrophobicContact CZ-CB 4.04Å; E21-H23 VanDerWaalsContact C-N 3.29Å; E21-H23 PolarHBondContact O-N 2.97Å; E21-L24 CarbonylContact O-C 3.49Å; E21-L24 WeakPolarHBondContact O-CA 3.4Å; E21-L24 WeakPolarHBondContact O-CB 3.4Å; E21-L24 PolarHBondContact O-N 3.37Å; E21-A25 PolarHBondContact O-N 3.43Å
22D90.4Very high86.2Confident117 Ų11783.4 Ų83.463%0.62646%0.458SS*.Hα-helixtrans-58.2-41.2179.1-54.5-56.3000112.4L24 A25 V26D22-L24 VanDerWaalsContact C-N 3.3Å; D22-L24 PolarHBondContact O-N 2.93Å; D22-A25 PolarHBondContact O-N 3.4Å; D22-V26 WeakPolarHBondContact O-CG2 3.49Å; D22-V26 PolarHBondContact O-N 3.46Å
23H91.4Very high85.1Confident100 Ų10083.9 Ų83.946%0.46345%0.451SS..Hα-helixtrans-64.3-37.2176-63.7158.7000111.4F18 N20 E21 H27F18-H23 HydrophobicContact CB-CB 4Å; F18-H23 HydrophobicContact CD1-CB 3.68Å; F18-H23 HydrophobicContact CG-CB 4.05Å; N20-H23 PolarHBondContact O-N 2.99Å; E21-H23 VanDerWaalsContact C-N 3.29Å; E21-H23 PolarHBondContact O-N 2.97Å; H23-H27 WeakPolarHBondContact O-CB 3.38Å; H23-H27 PolarHBondContact O-N 3.5Å; H23-H27 VanDerWaalsContact O-N 3.08Å
24L90.8Very high84.3Confident6 Ų683.2 Ų83.23%0.03143%0.428CS..Hα-helixtrans-69.3-37.6172.3173.961.4000111.8F7 V8 C9 F18 N20 E21 D22 H27 K28F7-L24 HydrophobicContact CB-CB 4.11Å; F7-L24 HydrophobicContact CB-CD2 3.82Å; V8-L24 WeakPolarHBondContact O-CD2 3.47Å; C9-L24 HydrophobicContact CB-CD1 3.76Å; F18-L24 HydrophobicContact CB-CB 4.37Å; F18-L24 HydrophobicContact CD2-CB 3.8Å; F18-L24 HydrophobicContact CD2-CD1 3.9Å; F18-L24 HydrophobicContact CD2-CG 4.44Å; F18-L24 HydrophobicContact CE2-CD1 4.02Å; F18-L24 HydrophobicContact CG-CB 4.26Å; N20-L24 PolarHBondContact O-N 3.21Å; E21-L24 CarbonylContact O-C 3.49Å; E21-L24 WeakPolarHBondContact O-CA 3.4Å; E21-L24 WeakPolarHBondContact O-CB 3.4Å; E21-L24 PolarHBondContact O-N 3.37Å; D22-L24 VanDerWaalsContact C-N 3.3Å; D22-L24 PolarHBondContact O-N 2.93Å; L24-H27 PolarHBondContact O-N 2.9Å; L24-K28 HydrophobicContact CD1-CD 4.34Å; L24-K28 HydrophobicContact CD1-CG 4.1Å; L24-K28 HydrophobicContact CG-CD 4.12Å; L24-K28 HydrophobicContact CG-CG 4.37Å; L24-K28 WeakPolarHBondContact O-CB 3.5Å; L24-K28 VanDerWaalsContact O-CG 3.27Å; L24-K28 WeakPolarHBondContact O-CG 3.3Å; L24-K28 PolarHBondContact O-N 2.89Å
25A89.3Confident82.5Confident51 Ų5187 Ų8742%0.42145%0.446SS..Hα-helixtrans-65.7-50.1178.800000111.8E21 D22 H27 K28 H29E21-A25 PolarHBondContact O-N 3.43Å; D22-A25 PolarHBondContact O-N 3.4Å; A25-H27 VanDerWaalsContact C-N 3.26Å; A25-H27 PolarHBondContact O-N 3.14Å; A25-K28 WeakPolarHBondContact O-CB 3.29Å; A25-K28 PolarHBondContact O-N 2.98Å; A25-K28 VanDerWaalsContact O-N 3.16Å; A25-H29 PolarHBondContact O-N 2.84Å
26V87.3Confident81.3Confident114 Ų11493.5 Ų93.569%0.69146%0.46SS*.Hα-helixtrans-59.6-38.7173.8174.80000111D22 K30D22-V26 WeakPolarHBondContact O-CG2 3.49Å; D22-V26 PolarHBondContact O-N 3.46Å; V26-K30 PolarHBondContact O-N 2.99Å
27H88.7Confident79.5Confident16 Ų1694.3 Ų94.37%0.07446%0.462CS..Hα-helixtrans-67.4-41.1175176.697.2000113.1C9 C14 Q16 F18 H23 L24 A25 H29 K30 H31C9-H27 PolarHBondContact SG-CD2 2.93Å; C9-H27 PolarHBondContact SG-NE2 3.23Å; C9-H27 VanDerWaalsContact SG-NE2 3.43Å; C14-H27 VanDerWaalsContact SG-CE1 3.58Å; C14-H27 PolarHBondContact SG-NE2 3.37Å; Q16-H27 PolarHBondContact OE1-CE1 3.44Å; Q16-H27 PolarHBondContact OE1-ND1 3.33Å; F18-H27 HydrophobicContact CE1-CB 4.28Å; F18-H27 HydrophobicContact CE2-CB 4.01Å; F18-H27 AromaticContact CE2-CG 3.8Å; F18-H27 HydrophobicContact CZ-CB 3.67Å; F18-H27 AromaticContact CZ-CG 3.46Å; F18-H27 VanDerWaalsContact CZ-CG 3.46Å; F18-H27 AromaticContact CZ-ND1 3.46Å; F18-H27 WeakPolarHBondContact CZ-ND1 3.34Å; H23-H27 WeakPolarHBondContact O-CB 3.38Å; H23-H27 PolarHBondContact O-N 3.5Å; H23-H27 VanDerWaalsContact O-N 3.08Å; L24-H27 PolarHBondContact O-N 2.9Å; A25-H27 VanDerWaalsContact C-N 3.26Å; A25-H27 PolarHBondContact O-N 3.14Å; H27-H29 VanDerWaalsContact C-N 3.33Å; H27-H29 PolarHBondContact O-N 3.5Å; H27-K30 VanDerWaalsContact O-CB 3.28Å; H27-K30 WeakPolarHBondContact O-CB 3.23Å; H27-K30 PolarHBondContact O-N 3.49Å; H27-K30 VanDerWaalsContact O-N 3.12Å; H27-H31 AromaticContact CD2-CD2 3.83Å; H27-H31 AromaticContact CD2-NE2 3.58Å; H27-H31 AromaticContact CE1-NE2 3.75Å; H27-H31 AromaticContact NE2-CD2 3.65Å; H27-H31 AromaticContact NE2-NE2 2.92Å; H27-H31 PolarHBondContact NE2-NE2 2.89Å; H27-H31 PolarHBondContact O-CD2 3.16Å
28K86.4Confident77.4Confident101 Ų10189.8 Ų89.844%0.43946%0.463SS..Hα-helixtrans-58.2-44.9174.8-79.6166.6176.6170.10110.8L24 A25 K30 H31 E32L24-K28 HydrophobicContact CD1-CD 4.34Å; L24-K28 HydrophobicContact CD1-CG 4.1Å; L24-K28 HydrophobicContact CG-CD 4.12Å; L24-K28 HydrophobicContact CG-CG 4.37Å; L24-K28 WeakPolarHBondContact O-CB 3.5Å; L24-K28 VanDerWaalsContact O-CG 3.27Å; L24-K28 WeakPolarHBondContact O-CG 3.3Å; L24-K28 PolarHBondContact O-N 2.89Å; A25-K28 WeakPolarHBondContact O-CB 3.29Å; A25-K28 PolarHBondContact O-N 2.98Å; A25-K28 VanDerWaalsContact O-N 3.16Å; K28-K30 PolarHBondContact O-N 3.02Å; K28-H31 WeakPolarHBondContact O-CB 3.46Å; K28-H31 PolarHBondContact O-N 3.25Å; K28-E32 PolarHBondContact O-N 3.05Å
29H84.6Confident75.3Confident94 Ų9494.6 Ų94.644%0.43550%0.498SS..Hα-helixtrans-61-26.6177.2-165.758.8000113.1A25 H27 H31 E32 M33A25-H29 PolarHBondContact O-N 2.84Å; H27-H29 VanDerWaalsContact C-N 3.33Å; H27-H29 PolarHBondContact O-N 3.5Å; H29-H31 VanDerWaalsContact C-N 3.32Å; H29-H31 PolarHBondContact O-N 3.09Å; H29-E32 IonicContact CE1-OE2 2.69Å; H29-E32 IonicContact CG-OE2 2.78Å; H29-E32 IonicContact ND1-OE2 2.7Å; H29-E32 PolarHBondContact ND1-OE2 3.22Å; H29-E32 WeakPolarHBondContact O-CB 3.26Å; H29-E32 PolarHBondContact O-N 2.92Å; H29-M33 WeakPolarHBondContact CE1-CE 3.26Å; H29-M33 WeakPolarHBondContact O-CG 3.33Å; H29-M33 PolarHBondContact O-N 2.7Å
30K81.6Confident73.2Confident121 Ų12195.7 Ų95.753%0.52651%0.513SS..Hα-helixtrans-66.5-30.6171.8-160.1-173.768.4174.60113V26 H27 K28 T34V26-K30 PolarHBondContact O-N 2.99Å; H27-K30 VanDerWaalsContact O-CB 3.28Å; H27-K30 WeakPolarHBondContact O-CB 3.23Å; H27-K30 PolarHBondContact O-N 3.49Å; H27-K30 VanDerWaalsContact O-N 3.12Å; K28-K30 PolarHBondContact O-N 3.02Å; K30-T34 WeakPolarHBondContact O-CB 3.27Å; K30-T34 PolarHBondContact O-N 2.69Å; K30-T34 PolarHBondContact O-OG1 3.35Å
31H78.6Confident71Confident59 Ų59103.9 Ų103.927%0.27354%0.538SS..Hα-helixtrans-76.3-29.4173.5-67.1-84.1000112.6C14 H27 K28 H29C14-H31 PolarHBondContact SG-CE1 3.14Å; C14-H31 PolarHBondContact SG-NE2 3.12Å; C14-H31 VanDerWaalsContact SG-NE2 3.38Å; H27-H31 AromaticContact CD2-CD2 3.83Å; H27-H31 AromaticContact CD2-NE2 3.58Å; H27-H31 AromaticContact CE1-NE2 3.75Å; H27-H31 AromaticContact NE2-CD2 3.65Å; H27-H31 AromaticContact NE2-NE2 2.92Å; H27-H31 PolarHBondContact NE2-NE2 2.89Å; H27-H31 PolarHBondContact O-CD2 3.16Å; K28-H31 WeakPolarHBondContact O-CB 3.46Å; K28-H31 PolarHBondContact O-N 3.25Å; H29-H31 VanDerWaalsContact C-N 3.32Å; H29-H31 PolarHBondContact O-N 3.09Å
32E73.6Confident69Low141 Ų141105.2 Ų105.266%0.65955%0.554SS**Hα-helixtrans-69.1-43.9173.9-174.9177.4-163.400111.1K28 H29 T34K28-E32 PolarHBondContact O-N 3.05Å; H29-E32 IonicContact CE1-OE2 2.69Å; H29-E32 IonicContact CG-OE2 2.78Å; H29-E32 IonicContact ND1-OE2 2.7Å; H29-E32 PolarHBondContact ND1-OE2 3.22Å; H29-E32 WeakPolarHBondContact O-CB 3.26Å; H29-E32 PolarHBondContact O-N 2.92Å; E32-T34 VanDerWaalsContact C-N 3.29Å; E32-T34 PolarHBondContact O-N 2.78Å
33M59Low66.5Low135 Ų135107.1 Ų107.167%0.66556%0.564SS**SBendtrans-83.45.8178.5-64.3-65162.800114.5H29H29-M33 WeakPolarHBondContact CE1-CE 3.26Å; H29-M33 WeakPolarHBondContact O-CG 3.33Å; H29-M33 PolarHBondContact O-N 2.7Å
34T61.7Low64Low80 Ų80108 Ų10849%0.49158%0.582SS.*SBendtrans-105.7111.4174.1-61.50000109.8K30 E32 K36K30-T34 WeakPolarHBondContact O-CB 3.27Å; K30-T34 PolarHBondContact O-N 2.69Å; K30-T34 PolarHBondContact O-OG1 3.35Å; E32-T34 VanDerWaalsContact C-N 3.29Å; E32-T34 PolarHBondContact O-N 2.78Å; T34-K36 PolarHBondContact O-N 3.11Å
35L51.5Low61.7Low116 Ų116114.7 Ų114.761%0.60762%0.622SS**  trans-54.1124.5174.3-67.1176.5000110.5F37L35-F37 VanDerWaalsContact C-N 3.3Å; L35-F37 HydrophobicContact CB-CE2 4.03Å; L35-F37 HydrophobicContact CB-CZ 4.47Å; L35-F37 VanDerWaalsContact O-CD2 3.27Å; L35-F37 WeakPolarHBondContact O-CD2 3.44Å; L35-F37 PolarHBondContact O-N 2.9Å
36K56.3Low59.9Low183 Ų183119.9 Ų119.980%0.79664%0.642SS**  trans-78.377.2-177.1-69.7-171.6179.41780111.7T34 G38T34-K36 PolarHBondContact O-N 3.11Å; K36-G38 PolarHBondContact O-N 2.92Å
37F49.6Very low57.9Low115 Ų115122.1 Ų122.150%0.50465%0.648SS.*  trans-56.3122.6157.2-59.1-79.5000108.2L35 V64L35-F37 VanDerWaalsContact C-N 3.3Å; L35-F37 HydrophobicContact CB-CE2 4.03Å; L35-F37 HydrophobicContact CB-CZ 4.47Å; L35-F37 VanDerWaalsContact O-CD2 3.27Å; L35-F37 WeakPolarHBondContact O-CD2 3.44Å; L35-F37 PolarHBondContact O-N 2.9Å; F37-V64 HydrophobicContact CD1-CG1 4.48Å; F37-V64 HydrophobicContact CE1-CG1 4.19Å
38G46.5Very low55.9Low57 Ų57126 Ų12659%0.58868%0.683SS**  trans-62.4166.5178.800000112.1K36 A40K36-G38 PolarHBondContact O-N 2.92Å; G38-A40 PolarHBondContact O-N 3.03Å
39P44.9Very low53.9Low137 Ų137127 Ų12789%0.8969%0.693SS**  trans-53106.4-179.1-2735.8000111.9R41P39-R41 PolarHBondContact O-N 3.18Å
40A46.7Very low52.3Low83 Ų83131 Ų13169%0.68671%0.712SS**  trans-60.8130.3176.200000108.7G38 T42G38-A40 PolarHBondContact O-N 3.03Å; A40-T42 PolarHBondContact O-N 2.87Å; A40-T42 VanDerWaalsContact O-N 3.07Å
41R43.5Very low51Low246 Ų246130.3 Ų130.393%0.92872%0.718SS**  trans-53.9118.1-177.9-68.8175.662-162.4-3.1109.2P39 D43P39-R41 PolarHBondContact O-N 3.18Å; R41-D43 PolarHBondContact O-N 3.02Å
42T46Very low49.7Very low138 Ų138130.2 Ų130.285%0.84772%0.722SS**SBendtrans-78.987.7-16450.30000111.9A40A40-T42 PolarHBondContact O-N 2.87Å; A40-T42 VanDerWaalsContact O-N 3.07Å
43D38.7Very low49.1Very low156 Ų156127.9 Ų127.983%0.83472%0.718SS**  trans-142.641173-126.4-23.8000112.1R41R41-D43 PolarHBondContact O-N 3.02Å
44S39Very low49.4Very low120 Ų120126 Ų12684%0.83972%0.716SS**SBendtrans-152.9121.3172.8-74.20000109.9
45V42Very low49.7Very low145 Ų145127.3 Ų127.388%0.87972%0.724SS**  trans-64.8143.3-172.5174.40000112.1I47V45-I47 PolarHBondContact O-N 2.7Å
46I52.8Low50.7Low161 Ų161129.1 Ų129.183%0.82672%0.723SS**  trans-52.8120.2-177.7-57164.7000111.9
47I44.9Very low51.4Low161 Ų161125.2 Ų125.283%0.82671%0.706SS**  trans-132.6126.9153.5-59.7-177.2000108V45 D49V45-I47 PolarHBondContact O-N 2.7Å; I47-D49 PolarHBondContact O-N 3.28Å
48A47Very low52.8Low98 Ų98124.1 Ų124.181%0.8171%0.705SS**  trans-92.595.8-179.600000111.6
49D42.8Very low54.1Low121 Ų121126.8 Ų126.865%0.64770%0.7SS**  trans-133.6104.4155-173.9-12.8000108.2I47 T51I47-D49 PolarHBondContact O-N 3.28Å; D49-T51 PolarHBondContact O-N 3.43Å; D49-T51 PolarHBondContact OD1-N 3.17Å; D49-T51 PolarHBondContact OD1-OG1 2.91Å
50Q51.6Low55.3Low179 Ų179122 Ų12284%0.83667%0.667SS**  trans-89.738.6-176.4-89.7-77.947.400112.7P52Q50-P52 WeakPolarHBondContact O-CD 3.21Å
51T53.7Low56.7Low105 Ų105118.6 Ų118.664%0.64464%0.638SS**  trans-111.687166.6-33.50000108.9D49 T53D49-T51 PolarHBondContact O-N 3.43Å; D49-T51 PolarHBondContact OD1-N 3.17Å; D49-T51 PolarHBondContact OD1-OG1 2.91Å; T51-T53 PolarHBondContact O-N 3.31Å
52P51.3Low58.2Low57 Ų57113.3 Ų113.337%0.3762%0.624SS.*  trans-62111173.926.6-32.9000108.3Q50 F57Q50-P52 WeakPolarHBondContact O-CD 3.21Å; P52-F57 HydrophobicContact CB-CB 4.37Å
53T61.9Low59.6Low92 Ų92112.7 Ų112.756%0.56461%0.612SS**  trans-46.8134.3173.1-28.60000107.8T51 T55 R56 F57T51-T53 PolarHBondContact O-N 3.31Å; T53-T55 CarbonylContact O-C 3.6Å; T53-T55 PolarHBondContact O-N 2.72Å; T53-R56 WeakPolarHBondContact O-CA 3.42Å; T53-R56 WeakPolarHBondContact O-CB 3.5Å; T53-R56 PolarHBondContact O-N 3.16Å; T53-F57 PolarHBondContact O-N 3.31Å; T53-F57 VanDerWaalsContact O-N 3.12Å
54P65.9Low61.2Low95 Ų95109.2 Ų109.262%0.61760%0.596SS**Hα-helixtrans-53.3-32.3-169.913.2-28.7000113.4R56 F57 L58P54-R56 PolarHBondContact O-N 3.44Å; P54-F57 PolarHBondContact O-N 3Å; P54-L58 WeakPolarHBondContact O-CB 3.23Å; P54-L58 WeakPolarHBondContact O-CD1 3.2Å; P54-L58 VanDerWaalsContact O-CG 3.22Å; P54-L58 WeakPolarHBondContact O-CG 3.32Å; P54-L58 PolarHBondContact O-N 2.8Å
55T66.7Low62.6Low109 Ų109104.8 Ų104.867%0.66957%0.569SS**Hα-helixtrans-58.5-40.4171-31.80000114.2T53 K59T53-T55 CarbonylContact O-C 3.6Å; T53-T55 PolarHBondContact O-N 2.72Å; T55-K59 WeakPolarHBondContact O-CB 3.48Å; T55-K59 PolarHBondContact O-N 3.1Å
56R73.1Confident64Low153 Ų153100.6 Ų100.658%0.57754%0.542SS*.Hα-helixtrans-74.9-36.4176.2-173.2176.4-173.9-98.6-3.8111.7T53 P54 K59 N60T53-R56 WeakPolarHBondContact O-CA 3.42Å; T53-R56 WeakPolarHBondContact O-CB 3.5Å; T53-R56 PolarHBondContact O-N 3.16Å; P54-R56 PolarHBondContact O-N 3.44Å; R56-K59 PolarHBondContact O-N 3.45Å; R56-N60 WeakPolarHBondContact O-CB 3.47Å; R56-N60 VanDerWaalsContact O-CG 3.25Å; R56-N60 PolarHBondContact O-N 3.05Å; R56-N60 PolarHBondContact O-OD1 3.26Å
57F71.8Confident65Low102 Ų10297.8 Ų97.845%0.44752%0.524SS..Hα-helixtrans-62.6-49.1172.8179.9-97.8000110.9P52 T53 P54 K59 N60 C61P52-F57 HydrophobicContact CB-CB 4.37Å; T53-F57 PolarHBondContact O-N 3.31Å; T53-F57 VanDerWaalsContact O-N 3.12Å; P54-F57 PolarHBondContact O-N 3Å; F57-K59 PolarHBondContact O-N 3.26Å; F57-N60 PolarHBondContact O-N 3.27Å; F57-C61 PolarHBondContact O-N 3.48Å; F57-C61 PolarHBondContact O-SG 3.37Å; F57-C61 VanDerWaalsContact O-SG 3.33Å
58L78.3Confident66.1Low91 Ų9196 Ų9648%0.47652%0.516SS..Hα-helixtrans-56.7-46.7174.9-71.9165.8000111.9P54 N60 C61 E62 F67P54-L58 WeakPolarHBondContact O-CB 3.23Å; P54-L58 WeakPolarHBondContact O-CD1 3.2Å; P54-L58 VanDerWaalsContact O-CG 3.22Å; P54-L58 WeakPolarHBondContact O-CG 3.32Å; P54-L58 PolarHBondContact O-N 2.8Å; L58-N60 PolarHBondContact O-N 2.95Å; L58-C61 WeakPolarHBondContact O-CB 3.45Å; L58-C61 PolarHBondContact O-N 3.38Å; L58-C61 VanDerWaalsContact O-N 3.15Å; L58-E62 WeakPolarHBondContact O-CB 3.5Å; L58-E62 PolarHBondContact O-N 2.9Å; L58-F67 HydrophobicContact CD2-CE2 4.48Å; L58-F67 HydrophobicContact CD2-CZ 3.88Å
59K72.6Confident67.1Low114 Ų11497.4 Ų97.450%0.49651%0.505SS..Hα-helixtrans-63.9-38.8177.5-165.7173.3-167.8-76.70112.7T55 R56 F57 C61 E62 E63T55-K59 WeakPolarHBondContact O-CB 3.48Å; T55-K59 PolarHBondContact O-N 3.1Å; R56-K59 PolarHBondContact O-N 3.45Å; F57-K59 PolarHBondContact O-N 3.26Å; K59-C61 VanDerWaalsContact C-N 3.34Å; K59-C61 PolarHBondContact O-N 3.44Å; K59-E62 PolarHBondContact O-N 3.48Å; K59-E63 IonicContact NZ-OE1 2.7Å; K59-E63 PolarHBondContact NZ-OE1 3.17Å; K59-E63 WeakPolarHBondContact O-CB 3.45Å; K59-E63 VanDerWaalsContact O-CG 3.28Å; K59-E63 WeakPolarHBondContact O-CG 3.21Å; K59-E63 PolarHBondContact O-N 3.18Å
60N71.6Confident68.3Low36 Ų3696 Ų9619%0.19350%0.498CS..Hα-helixtrans-63.6-39172.8-73.49.8000111.5R56 F57 L58 E63 V64R56-N60 WeakPolarHBondContact O-CB 3.47Å; R56-N60 VanDerWaalsContact O-CG 3.25Å; R56-N60 PolarHBondContact O-N 3.05Å; R56-N60 PolarHBondContact O-OD1 3.26Å; F57-N60 PolarHBondContact O-N 3.27Å; L58-N60 PolarHBondContact O-N 2.95Å; N60-E63 PolarHBondContact O-N 3.38Å; N60-V64 WeakPolarHBondContact O-CG2 3.15Å; N60-V64 PolarHBondContact O-N 3.43Å
61C75.3Confident68.9Low12 Ų1289.9 Ų89.98%0.08148%0.478CS..Hα-helixtrans-66.8-36.5176-67.90000112.7F57 L58 K59 G65 L66 F67F57-C61 PolarHBondContact O-N 3.48Å; F57-C61 PolarHBondContact O-SG 3.37Å; F57-C61 VanDerWaalsContact O-SG 3.33Å; L58-C61 WeakPolarHBondContact O-CB 3.45Å; L58-C61 PolarHBondContact O-N 3.38Å; L58-C61 VanDerWaalsContact O-N 3.15Å; K59-C61 VanDerWaalsContact C-N 3.34Å; K59-C61 PolarHBondContact O-N 3.44Å; C61-G65 PolarHBondContact O-N 2.92Å; C61-L66 HydrophobicContact CB-CB 4.45Å; C61-L66 HydrophobicContact CB-CD1 4.27Å; C61-L66 PolarHBondContact O-N 3.5Å; C61-F67 HydrophobicContact CB-CD2 4.42Å; C61-F67 HydrophobicContact CB-CE2 3.79Å; C61-F67 HydrophobicContact CB-CZ 4.3Å
62E75.8Confident69.5Low134 Ų13487.5 Ų87.563%0.62647%0.465SS*.Hα-helixtrans-66.1-45.6172.1-173.2176.1-151.100111.3L58 K59 V64 G65 F67L58-E62 WeakPolarHBondContact O-CB 3.5Å; L58-E62 PolarHBondContact O-N 2.9Å; K59-E62 PolarHBondContact O-N 3.48Å; E62-V64 VanDerWaalsContact C-N 3.35Å; E62-V64 PolarHBondContact O-N 3.24Å; E62-G65 PolarHBondContact O-N 3.36Å; E62-F67 HydrophobicContact CB-CD2 4.15Å; E62-F67 HydrophobicContact CB-CE2 4.43Å
63E73.8Confident70.3Confident126 Ų12688.4 Ų88.459%0.58947%0.473SS*.Hα-helixtrans-65.6-29.4178-76.4172.9-172.200114.2K59 N60 G65K59-E63 IonicContact NZ-OE1 2.7Å; K59-E63 PolarHBondContact NZ-OE1 3.17Å; K59-E63 WeakPolarHBondContact O-CB 3.45Å; K59-E63 VanDerWaalsContact O-CG 3.28Å; K59-E63 WeakPolarHBondContact O-CG 3.21Å; K59-E63 PolarHBondContact O-N 3.18Å; N60-E63 PolarHBondContact O-N 3.38Å; E63-G65 VanDerWaalsContact C-N 3.35Å
64V72.4Confident70.3Confident82 Ų8290 Ų9050%0.49747%0.472SS..THydrogen-bonded Turntrans-90.96.7170.9-540000113.6F37 N60 E62 L66F37-V64 HydrophobicContact CD1-CG1 4.48Å; F37-V64 HydrophobicContact CE1-CG1 4.19Å; N60-V64 WeakPolarHBondContact O-CG2 3.15Å; N60-V64 PolarHBondContact O-N 3.43Å; E62-V64 VanDerWaalsContact C-N 3.35Å; E62-V64 PolarHBondContact O-N 3.24Å; V64-L66 VanDerWaalsContact C-N 3.33Å; V64-L66 HydrophobicContact CG2-CB 4.48Å; V64-L66 HydrophobicContact CG2-CD1 3.82Å; V64-L66 HydrophobicContact CG2-CG 3.95Å; V64-L66 PolarHBondContact O-N 3.05Å
65G69.3Low70.5Confident28 Ų2892.3 Ų92.329%0.28948%0.475SS..THydrogen-bonded Turntrans75.57.9172.800000116.4C61 E62 E63 F67 N68 E69C61-G65 PolarHBondContact O-N 2.92Å; E62-G65 PolarHBondContact O-N 3.36Å; E63-G65 VanDerWaalsContact C-N 3.35Å; G65-F67 PolarHBondContact O-N 3.41Å; G65-F67 VanDerWaalsContact O-N 3.15Å; G65-N68 WeakPolarHBondContact O-CA 3.46Å; G65-N68 WeakPolarHBondContact O-CB 3.44Å; G65-N68 PolarHBondContact O-N 3.34Å; G65-E69 PolarHBondContact O-N 3.24Å
66L72.1Confident70.5Confident56 Ų5693.6 Ų93.629%0.29347%0.473SS..Hα-helixtrans-56-35.1-176.7-88.8164.9000113.2C61 V64 N68 E69 L70C61-L66 HydrophobicContact CB-CB 4.45Å; C61-L66 HydrophobicContact CB-CD1 4.27Å; C61-L66 PolarHBondContact O-N 3.5Å; V64-L66 VanDerWaalsContact C-N 3.33Å; V64-L66 HydrophobicContact CG2-CB 4.48Å; V64-L66 HydrophobicContact CG2-CD1 3.82Å; V64-L66 HydrophobicContact CG2-CG 3.95Å; V64-L66 PolarHBondContact O-N 3.05Å; L66-N68 VanDerWaalsContact C-N 3.35Å; L66-E69 PolarHBondContact O-N 3.35Å; L66-L70 WeakPolarHBondContact O-CB 3.47Å; L66-L70 WeakPolarHBondContact O-CD1 3.42Å; L66-L70 VanDerWaalsContact O-CG 3.24Å; L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 2.96Å
67F72.2Confident70.3Confident102 Ų10292.5 Ų92.545%0.44747%0.474SS..Hα-helixtrans-69.8-31.4176.3-68.1-63.9000113.1L58 C61 E62 G65 A71L58-F67 HydrophobicContact CD2-CE2 4.48Å; L58-F67 HydrophobicContact CD2-CZ 3.88Å; C61-F67 HydrophobicContact CB-CD2 4.42Å; C61-F67 HydrophobicContact CB-CE2 3.79Å; C61-F67 HydrophobicContact CB-CZ 4.3Å; E62-F67 HydrophobicContact CB-CD2 4.15Å; E62-F67 HydrophobicContact CB-CE2 4.43Å; G65-F67 PolarHBondContact O-N 3.41Å; G65-F67 VanDerWaalsContact O-N 3.15Å; F67-A71 VanDerWaalsContact O-CB 3.25Å; F67-A71 WeakPolarHBondContact O-CB 3.22Å; F67-A71 PolarHBondContact O-N 3.09Å
68N69.3Low70.3Confident123 Ų12394.9 Ų94.966%0.65849%0.485SS*.Hα-helixtrans-72.7-42.6174.6-172.887.2000110.8G65 L66 A71 S72G65-N68 WeakPolarHBondContact O-CA 3.46Å; G65-N68 WeakPolarHBondContact O-CB 3.44Å; G65-N68 PolarHBondContact O-N 3.34Å; L66-N68 VanDerWaalsContact C-N 3.35Å; N68-A71 PolarHBondContact O-N 3.35Å; N68-S72 WeakPolarHBondContact O-CB 3.49Å; N68-S72 PolarHBondContact O-N 3.03Å; N68-S72 PolarHBondContact O-OG 3.09Å
69E68.5Low70Confident128 Ų12896.2 Ų96.260%0.59849%0.487SS*.Hα-helixtrans-62.6-45176-170.6171.7-141.300111.9G65 L66 S72 S73G65-E69 PolarHBondContact O-N 3.24Å; L66-E69 PolarHBondContact O-N 3.35Å; E69-S72 PolarHBondContact O-OG 3.44Å; E69-S72 VanDerWaalsContact O-OG 3.07Å; E69-S73 WeakPolarHBondContact O-CB 3.24Å; E69-S73 PolarHBondContact O-N 3.38Å
70L66.1Low70Confident92 Ų9297.4 Ų97.448%0.48249%0.492SS..Hα-helixtrans-60.9-46.9173.2-75.1166.8000112.2L66 S73 F74L66-L70 WeakPolarHBondContact O-CB 3.47Å; L66-L70 WeakPolarHBondContact O-CD1 3.42Å; L66-L70 VanDerWaalsContact O-CG 3.24Å; L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 2.96Å; L70-S73 PolarHBondContact O-N 2.96Å; L70-F74 WeakPolarHBondContact O-CD2 3.35Å; L70-F74 PolarHBondContact O-N 3.1Å; L70-F74 VanDerWaalsContact O-N 3.14Å
71A65.6Low69.9Low51 Ų5198.7 Ų98.742%0.42151%0.508SS..Hα-helixtrans-61.4-48.8178.500000111.7F67 N68 S73 F74 E75F67-A71 VanDerWaalsContact O-CB 3.25Å; F67-A71 WeakPolarHBondContact O-CB 3.22Å; F67-A71 PolarHBondContact O-N 3.09Å; N68-A71 PolarHBondContact O-N 3.35Å; A71-S73 VanDerWaalsContact C-N 3.29Å; A71-S73 PolarHBondContact O-N 3.49Å; A71-F74 PolarHBondContact O-N 3.38Å; A71-E75 PolarHBondContact O-N 3.19Å
72S66.5Low69.7Low55 Ų55100.7 Ų100.739%0.38553%0.525SS..Hα-helixtrans-65.2-31.2178.258.90000112.9N68 E69 H76N68-S72 WeakPolarHBondContact O-CB 3.49Å; N68-S72 PolarHBondContact O-N 3.03Å; N68-S72 PolarHBondContact O-OG 3.09Å; E69-S72 PolarHBondContact O-OG 3.44Å; E69-S72 VanDerWaalsContact O-OG 3.07Å; S72-H76 WeakPolarHBondContact O-CB 3.32Å; S72-H76 PolarHBondContact O-N 3.07Å
73S68.3Low69.5Low76 Ų7697.2 Ų97.253%0.53151%0.511SS..Hα-helixtrans-64.4-44.4174.4-171.80000111.4E69 L70 A71 E77E69-S73 WeakPolarHBondContact O-CB 3.24Å; E69-S73 PolarHBondContact O-N 3.38Å; L70-S73 PolarHBondContact O-N 2.96Å; A71-S73 VanDerWaalsContact C-N 3.29Å; A71-S73 PolarHBondContact O-N 3.49Å; S73-E77 PolarHBondContact O-N 2.85Å; S73-E77 VanDerWaalsContact O-N 3.07Å
74F60.6Low69.4Low124 Ų12496 Ų9654%0.54451%0.506SS..Hα-helixtrans-66.2-45.8174.9-76.7-63.5000112.1L70 A71 H76 E77 F78L70-F74 WeakPolarHBondContact O-CD2 3.35Å; L70-F74 PolarHBondContact O-N 3.1Å; L70-F74 VanDerWaalsContact O-N 3.14Å; A71-F74 PolarHBondContact O-N 3.38Å; F74-H76 VanDerWaalsContact C-N 3.29Å; F74-H76 PolarHBondContact O-N 3.47Å; F74-E77 PolarHBondContact O-N 3.49Å; F74-F78 VanDerWaalsContact O-CD2 3.24Å; F74-F78 WeakPolarHBondContact O-CD2 3.44Å; F74-F78 PolarHBondContact O-N 3.02Å
75E71.3Confident69.4Low145 Ų14596.4 Ų96.468%0.67851%0.505SS*.Hα-helixtrans-58.4-42176.8-73.3-171.5156.300111.9A71 F78 K79A71-E75 PolarHBondContact O-N 3.19Å; E75-F78 PolarHBondContact O-N 3.14Å; E75-K79 WeakPolarHBondContact O-CB 3.21Å; E75-K79 PolarHBondContact O-N 3.4Å
76H65.8Low69.7Low135 Ų13599.6 Ų99.663%0.62551%0.512SS*.Hα-helixtrans-66.9-36.1177.5-173.9-101.7000112.6S72 F74 K80S72-H76 WeakPolarHBondContact O-CB 3.32Å; S72-H76 PolarHBondContact O-N 3.07Å; F74-H76 VanDerWaalsContact C-N 3.29Å; F74-H76 PolarHBondContact O-N 3.47Å; H76-K80 WeakPolarHBondContact O-CB 3.47Å; H76-K80 PolarHBondContact O-N 2.95Å
77E70.3Confident69.8Low130 Ų130102.8 Ų102.861%0.60752%0.524SS*.Hα-helixtrans-68.4-46174.8-172.9164.5-129.800112.1S73 F74 K79 K80 A81S73-E77 PolarHBondContact O-N 2.85Å; S73-E77 VanDerWaalsContact O-N 3.07Å; F74-E77 PolarHBondContact O-N 3.49Å; E77-K79 VanDerWaalsContact C-N 3.35Å; E77-K79 PolarHBondContact O-N 3.17Å; E77-K80 PolarHBondContact O-N 3.33Å; E77-A81 WeakPolarHBondContact O-CB 3.25Å; E77-A81 PolarHBondContact O-N 3.13Å
78F70.6Confident69.8Low152 Ų152104.3 Ų104.367%0.66753%0.53SS*.Hα-helixtrans-62.2-40.7173.7-79.9-67.4000112.3F74 E75 A81 A82F74-F78 VanDerWaalsContact O-CD2 3.24Å; F74-F78 WeakPolarHBondContact O-CD2 3.44Å; F74-F78 PolarHBondContact O-N 3.02Å; E75-F78 PolarHBondContact O-N 3.14Å; F78-A81 PolarHBondContact O-N 3.29Å; F78-A82 PolarHBondContact O-N 2.92Å
79K72.4Confident69.7Low119 Ų119100.3 Ų100.352%0.51751%0.514SS..Hα-helixtrans-62.5-46.9177.1-17757.2179.4144.10111.4E75 E77 A81 A82 D83E75-K79 WeakPolarHBondContact O-CB 3.21Å; E75-K79 PolarHBondContact O-N 3.4Å; E77-K79 VanDerWaalsContact C-N 3.35Å; E77-K79 PolarHBondContact O-N 3.17Å; K79-A81 VanDerWaalsContact C-N 3.34Å; K79-A81 PolarHBondContact O-N 3Å; K79-A82 PolarHBondContact O-N 3.05Å; K79-D83 WeakPolarHBondContact CE-OD2 3.35Å; K79-D83 IonicContact NZ-OD1 2.99Å; K79-D83 PolarHBondContact NZ-OD1 3.13Å; K79-D83 IonicContact NZ-OD2 3.3Å; K79-D83 PolarHBondContact NZ-OD2 3.24Å; K79-D83 VanDerWaalsContact O-CG 3.3Å; K79-D83 PolarHBondContact O-N 3.21Å
80K72.9Confident69.7Low139 Ų139101.7 Ų101.760%0.60451%0.514SS*.Hα-helixtrans-61.7-38176.2-176.3-179.8177.7-174.20112.7H76 E77 E84H76-K80 WeakPolarHBondContact O-CB 3.47Å; H76-K80 PolarHBondContact O-N 2.95Å; E77-K80 PolarHBondContact O-N 3.33Å; K80-E84 PolarHBondContact O-N 3.11Å; K80-E84 VanDerWaalsContact O-N 3.16Å
81A68.4Low69.7Low63 Ų63101.2 Ų101.252%0.52152%0.518SS..Hα-helixtrans-66.2-41.3175.100000112.4E77 F78 K79 E84 D85E77-A81 WeakPolarHBondContact O-CB 3.25Å; E77-A81 PolarHBondContact O-N 3.13Å; F78-A81 PolarHBondContact O-N 3.29Å; K79-A81 VanDerWaalsContact C-N 3.34Å; K79-A81 PolarHBondContact O-N 3Å; A81-E84 PolarHBondContact O-N 3.48Å; A81-D85 PolarHBondContact O-N 2.99Å
82A72.2Confident69.7Low55 Ų55105 Ų10546%0.45552%0.521SS..Hα-helixtrans-65.6-44.8175.800000112.2F78 K79 E84 D85 E86F78-A82 PolarHBondContact O-N 2.92Å; K79-A82 PolarHBondContact O-N 3.05Å; A82-E84 PolarHBondContact O-N 3.05Å; A82-D85 PolarHBondContact O-N 3.24Å; A82-E86 WeakPolarHBondContact O-CB 3.41Å; A82-E86 PolarHBondContact O-N 2.88Å
83D70.5Confident69.5Low60 Ų60106.7 Ų106.732%0.32153%0.529SS..Hα-helixtrans-66.6-23.7179.6-65.2-25.9000112.3K79 K87K79-D83 WeakPolarHBondContact CE-OD2 3.35Å; K79-D83 IonicContact NZ-OD1 2.99Å; K79-D83 PolarHBondContact NZ-OD1 3.13Å; K79-D83 IonicContact NZ-OD2 3.3Å; K79-D83 PolarHBondContact NZ-OD2 3.24Å; K79-D83 VanDerWaalsContact O-CG 3.3Å; K79-D83 PolarHBondContact O-N 3.21Å; D83-K87 WeakPolarHBondContact O-CD 3.37Å; D83-K87 VanDerWaalsContact O-CG 3.29Å; D83-K87 WeakPolarHBondContact O-CG 3.49Å; D83-K87 PolarHBondContact O-N 3.48Å
84E71.6Confident69.3Low102 Ų102107.4 Ų107.448%0.47753%0.53SS..Hα-helixtrans-75.4-43.1170.7-83-62.1115.700113.5K80 A81 A82 E86 K87 K88K80-E84 PolarHBondContact O-N 3.11Å; K80-E84 VanDerWaalsContact O-N 3.16Å; A81-E84 PolarHBondContact O-N 3.48Å; A82-E84 PolarHBondContact O-N 3.05Å; E84-E86 VanDerWaalsContact C-N 3.33Å; E84-K87 PolarHBondContact O-N 2.96Å; E84-K87 WeakPolarHBondContact OE1-CD 3.29Å; E84-K87 IonicContact OE1-NZ 2.78Å; E84-K87 PolarHBondContact OE1-NZ 3.38Å; E84-K88 WeakPolarHBondContact O-CB 3.43Å; E84-K88 PolarHBondContact O-N 2.93Å
85D74Confident69.4Low89 Ų89104 Ų10448%0.47653%0.526SS..Hα-helixtrans-69.7-33175.8-146-75.7000111.6A81 A82 K88 A89 R92A81-D85 PolarHBondContact O-N 2.99Å; A82-D85 PolarHBondContact O-N 3.24Å; D85-K88 CarbonylContact O-C 3.49Å; D85-K88 PolarHBondContact O-N 3.34Å; D85-K88 VanDerWaalsContact O-N 3.17Å; D85-A89 VanDerWaalsContact O-CB 3.26Å; D85-A89 WeakPolarHBondContact O-CB 3.15Å; D85-A89 PolarHBondContact O-N 3.31Å; D85-R92 IonicContact OD1-CZ 3.7Å; D85-R92 IonicContact OD1-NH2 3.92Å; D85-R92 PolarHBondContact OD1-NH2 3.37Å; D85-R92 IonicContact OD2-NH2 3.89Å
86E73.8Confident68.8Low96 Ų96105 Ų10545%0.44953%0.527SS..Hα-helixtrans-52.2-53.5166.8-100.6-89.8175.500111.9A82 E84 K88 A89 R90A82-E86 WeakPolarHBondContact O-CB 3.41Å; A82-E86 PolarHBondContact O-N 2.88Å; E84-E86 VanDerWaalsContact C-N 3.33Å; E86-K88 VanDerWaalsContact C-N 3.33Å; E86-K88 PolarHBondContact O-N 3.27Å; E86-A89 PolarHBondContact O-N 3.03Å; E86-R90 VanDerWaalsContact O-CG 3.3Å; E86-R90 WeakPolarHBondContact O-CG 3.34Å; E86-R90 PolarHBondContact O-N 3.14Å; E86-R90 IonicContact OE1-NH2 2.69Å; E86-R90 IonicContact OE2-CZ 3.12Å; E86-R90 IonicContact OE2-NE 2.7Å; E86-R90 PolarHBondContact OE2-NE 3.02Å; E86-R90 IonicContact OE2-NH2 2.64Å; E86-R90 PolarHBondContact OE2-NH2 3.31Å
87K75.9Confident68.4Low123 Ų123106.5 Ų106.554%0.53553%0.532SS..Hα-helixtrans-61.6-40.5174.9-70.8165.9-165.21670112.1D83 E84 A89 R90 S91D83-K87 WeakPolarHBondContact O-CD 3.37Å; D83-K87 VanDerWaalsContact O-CG 3.29Å; D83-K87 WeakPolarHBondContact O-CG 3.49Å; D83-K87 PolarHBondContact O-N 3.48Å; E84-K87 PolarHBondContact O-N 2.96Å; E84-K87 WeakPolarHBondContact OE1-CD 3.29Å; E84-K87 IonicContact OE1-NZ 2.78Å; E84-K87 PolarHBondContact OE1-NZ 3.38Å; K87-A89 VanDerWaalsContact C-N 3.33Å; K87-A89 PolarHBondContact O-N 3.06Å; K87-R90 PolarHBondContact O-N 2.98Å; K87-S91 WeakPolarHBondContact O-CB 3.36Å; K87-S91 PolarHBondContact O-N 3.45Å
88K70.5Confident67.8Low133 Ų133106.3 Ų106.358%0.57854%0.535SS*.Hα-helixtrans-68.3-32.5179.3-159.6169.9-172.8172.90111.8E84 D85 E86 R92E84-K88 WeakPolarHBondContact O-CB 3.43Å; E84-K88 PolarHBondContact O-N 2.93Å; D85-K88 CarbonylContact O-C 3.49Å; D85-K88 PolarHBondContact O-N 3.34Å; D85-K88 VanDerWaalsContact O-N 3.17Å; E86-K88 VanDerWaalsContact C-N 3.33Å; E86-K88 PolarHBondContact O-N 3.27Å; K88-R92 WeakPolarHBondContact O-CB 3.47Å; K88-R92 VanDerWaalsContact O-CG 3.26Å; K88-R92 WeakPolarHBondContact O-CG 3.42Å; K88-R92 PolarHBondContact O-N 2.88Å; K88-R92 PolarHBondContact O-NE 3.04Å
89A67.4Low67.2Low39 Ų39104.5 Ų104.532%0.32254%0.536SS..Hα-helixtrans-71.1-44.2172.700000111.1D85 E86 K87 S91 R92 T93D85-A89 VanDerWaalsContact O-CB 3.26Å; D85-A89 WeakPolarHBondContact O-CB 3.15Å; D85-A89 PolarHBondContact O-N 3.31Å; E86-A89 PolarHBondContact O-N 3.03Å; K87-A89 VanDerWaalsContact C-N 3.33Å; K87-A89 PolarHBondContact O-N 3.06Å; A89-S91 PolarHBondContact O-N 3.12Å; A89-R92 PolarHBondContact O-N 3.08Å; A89-T93 PolarHBondContact O-N 3.26Å; A89-T93 PolarHBondContact O-OG1 3.14Å
90R69.3Low66Low158 Ų158102.9 Ų102.960%0.59654%0.544SS*.Hα-helixtrans-61.3-41.6173.4-68.7170.3-168.2-105.7-1.1112.2E86 K87 T93 V94E86-R90 VanDerWaalsContact O-CG 3.3Å; E86-R90 WeakPolarHBondContact O-CG 3.34Å; E86-R90 PolarHBondContact O-N 3.14Å; E86-R90 IonicContact OE1-NH2 2.69Å; E86-R90 IonicContact OE2-CZ 3.12Å; E86-R90 IonicContact OE2-NE 2.7Å; E86-R90 PolarHBondContact OE2-NE 3.02Å; E86-R90 IonicContact OE2-NH2 2.64Å; E86-R90 PolarHBondContact OE2-NH2 3.31Å; K87-R90 PolarHBondContact O-N 2.98Å; R90-T93 WeakPolarHBondContact CA-OG1 3.47Å; R90-T93 PolarHBondContact O-N 3.33Å; R90-T93 PolarHBondContact O-OG1 3.07Å; R90-T93 VanDerWaalsContact O-OG1 3.09Å; R90-V94 VanDerWaalsContact O-CG2 3.32Å; R90-V94 WeakPolarHBondContact O-CG2 3.35Å; R90-V94 PolarHBondContact O-N 2.96Å
91S65.7Low64.6Low81 Ų81100.3 Ų100.357%0.56655%0.549SS*.Hα-helixtrans-62.8-45173.4-176.80000112K87 A89 T93 V94 A95K87-S91 WeakPolarHBondContact O-CB 3.36Å; K87-S91 PolarHBondContact O-N 3.45Å; A89-S91 PolarHBondContact O-N 3.12Å; S91-T93 PolarHBondContact O-N 2.92Å; S91-V94 PolarHBondContact O-N 3.22Å; S91-A95 WeakPolarHBondContact O-CB 3.43Å; S91-A95 PolarHBondContact O-N 3.5Å
92R65.6Low63.3Low131 Ų131101 Ų10149%0.49456%0.555SS.*Hα-helixtrans-60.2-40.2174.2-78.2173.1-73-176.10.2112.7D85 K88 A89 K96D85-R92 IonicContact OD1-CZ 3.7Å; D85-R92 IonicContact OD1-NH2 3.92Å; D85-R92 PolarHBondContact OD1-NH2 3.37Å; D85-R92 IonicContact OD2-NH2 3.89Å; K88-R92 WeakPolarHBondContact O-CB 3.47Å; K88-R92 VanDerWaalsContact O-CG 3.26Å; K88-R92 WeakPolarHBondContact O-CG 3.42Å; K88-R92 PolarHBondContact O-N 2.88Å; K88-R92 PolarHBondContact O-NE 3.04Å; A89-R92 PolarHBondContact O-N 3.08Å; R92-K96 WeakPolarHBondContact O-CB 3.27Å; R92-K96 PolarHBondContact O-N 3.41Å
93T62.5Low61.7Low90 Ų90101.5 Ų101.555%0.55257%0.566SS**Hα-helixtrans-75.6-33.317850.40000113.3A89 R90 S91 K96 K97A89-T93 PolarHBondContact O-N 3.26Å; A89-T93 PolarHBondContact O-OG1 3.14Å; R90-T93 WeakPolarHBondContact CA-OG1 3.47Å; R90-T93 PolarHBondContact O-N 3.33Å; R90-T93 PolarHBondContact O-OG1 3.07Å; R90-T93 VanDerWaalsContact O-OG1 3.09Å; S91-T93 PolarHBondContact O-N 2.92Å; T93-K96 PolarHBondContact O-N 3.36Å; T93-K97 VanDerWaalsContact O-CB 3.32Å; T93-K97 WeakPolarHBondContact O-CB 3.48Å; T93-K97 PolarHBondContact O-N 2.9Å
94V64.4Low60.7Low91 Ų91104.7 Ų104.755%0.55259%0.59SS**Hα-helixtrans-62.7-47170.4169.10000110.9R90 S91 K96 K97 L98R90-V94 VanDerWaalsContact O-CG2 3.32Å; R90-V94 WeakPolarHBondContact O-CG2 3.35Å; R90-V94 PolarHBondContact O-N 2.96Å; S91-V94 PolarHBondContact O-N 3.22Å; V94-K96 VanDerWaalsContact C-N 3.35Å; V94-K96 PolarHBondContact O-N 3.36Å; V94-K97 PolarHBondContact O-N 3.01Å; V94-L98 HydrophobicContact CG1-CD1 4.21Å; V94-L98 WeakPolarHBondContact O-CG 3.24Å; V94-L98 PolarHBondContact O-N 2.94Å
95A61.6Low59Low54 Ų54108.1 Ų108.145%0.44661%0.61SS.*Hα-helixtrans-59-44.4174.900000112S91 K97 L98 V99S91-A95 WeakPolarHBondContact O-CB 3.43Å; S91-A95 PolarHBondContact O-N 3.5Å; A95-K97 VanDerWaalsContact C-N 3.32Å; A95-K97 PolarHBondContact O-N 3.03Å; A95-L98 PolarHBondContact O-N 2.89Å; A95-V99 PolarHBondContact O-N 3.25Å; A95-V99 VanDerWaalsContact O-N 3.12Å
96K59.3Low57.4Low164 Ų164109.6 Ų109.671%0.71362%0.618SS**Hα-helixtrans-67.2-30.9178.4-152.7168.3-171.51780112.8R92 T93 V94 A100R92-K96 WeakPolarHBondContact O-CB 3.27Å; R92-K96 PolarHBondContact O-N 3.41Å; T93-K96 PolarHBondContact O-N 3.36Å; V94-K96 VanDerWaalsContact C-N 3.35Å; V94-K96 PolarHBondContact O-N 3.36Å; K96-A100 WeakPolarHBondContact O-CB 3.41Å; K96-A100 PolarHBondContact O-N 3.34Å; K96-A100 VanDerWaalsContact O-N 3.14Å
97K57.2Low55.6Low167 Ų167113 Ų11373%0.72664%0.636SS**Hα-helixtrans-73.1-32.5173.9-173171.6-179.4177.30112.9T93 V94 A95 A100 A101T93-K97 VanDerWaalsContact O-CB 3.32Å; T93-K97 WeakPolarHBondContact O-CB 3.48Å; T93-K97 PolarHBondContact O-N 2.9Å; V94-K97 PolarHBondContact O-N 3.01Å; A95-K97 VanDerWaalsContact C-N 3.32Å; A95-K97 PolarHBondContact O-N 3.03Å; K97-A100 PolarHBondContact O-N 3.02Å; K97-A101 PolarHBondContact O-N 3.3Å
98L57.7Low53.8Low126 Ų126111.5 Ų111.566%0.6664%0.641SS**Hα-helixtrans-67.7-42.1172.5-74.2163.7000111.6V94 A95 A100 A101V94-L98 HydrophobicContact CG1-CD1 4.21Å; V94-L98 WeakPolarHBondContact O-CG 3.24Å; V94-L98 PolarHBondContact O-N 2.94Å; A95-L98 PolarHBondContact O-N 2.89Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 2.96Å; L98-A101 WeakPolarHBondContact O-CB 3.33Å; L98-A101 PolarHBondContact O-N 3.39Å
99V57.3Low52.4Low115 Ų115113.2 Ų113.270%0.69766%0.656SS**Hα-helixtrans-62.6-39.5174.2174.90000111.5A95 A101 A102A95-V99 PolarHBondContact O-N 3.25Å; A95-V99 VanDerWaalsContact O-N 3.12Å; V99-A101 PolarHBondContact O-N 3.02Å; V99-A102 PolarHBondContact O-N 3.37Å
100A49Very low50.8Low84 Ų84117.2 Ų117.269%0.69468%0.678SS**THydrogen-bonded Turntrans-71.6-4.1177.700000115K96 K97 L98K96-A100 WeakPolarHBondContact O-CB 3.41Å; K96-A100 PolarHBondContact O-N 3.34Å; K96-A100 VanDerWaalsContact O-N 3.14Å; K97-A100 PolarHBondContact O-N 3.02Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 2.96Å
101A42.7Very low49.1Very low85 Ų85115.2 Ų115.270%0.70269%0.689SS**THydrogen-bonded Turntrans-90.1-9.3176.400000113.5K97 L98 V99K97-A101 PolarHBondContact O-N 3.3Å; L98-A101 WeakPolarHBondContact O-CB 3.33Å; L98-A101 PolarHBondContact O-N 3.39Å; V99-A101 PolarHBondContact O-N 3.02Å
102A40.6Very low47.8Very low78 Ų78117.2 Ų117.265%0.64570%0.698SS**SBendtrans-87.8114.8172.300000110.1V99V99-A102 PolarHBondContact O-N 3.37Å
103G39.3Very low46.3Very low66 Ų66117.3 Ų117.368%0.6872%0.716SS**  trans-64157.5173.900000112.6
104P48.9Very low44.7Very low127 Ų127119.7 Ų119.783%0.82573%0.725SS**  trans-80.3145.3-161.531.8-36.2000113.6
105L35.8Very low42.9Very low174 Ų174121.8 Ų121.891%0.91173%0.732SS**  trans-120.7130148.9-73.8177.8000108.8
106D40.3Very low41.4Very low119 Ų119128.7 Ų128.764%0.63675%0.751SS**  trans-60.3135.8171.1165.540.6000111
107M37.4Very low40.2Very low167 Ų167128.5 Ų128.582%0.82376%0.757SS**  trans-151.1136.5142.5-95.9-55.393.700110.1
108S36.4Very low38.8Very low93 Ų93128.2 Ų128.265%0.6576%0.756SS**PPolyproline II helixtrans-82.1153.3-164.7-36.20000113.9
109L41.4Very low37.4Very low168 Ų168128.9 Ų128.988%0.8876%0.755SS**PPolyproline II helixtrans-73.5134170.6-66.8171.8000111.5
110P33.7Very low36Very low123 Ų123131 Ų13180%0.79976%0.757SS**PPolyproline II helixtrans-82.9137.8156.7-9.828.2000110.7
111S33.4Very low35.1Very low117 Ų117134.1 Ų134.182%0.81876%0.758SS**PPolyproline II helixtrans-75.9164.9-175.8-590000115
112T39.1Very low34.6Very low122 Ų122136.1 Ų136.175%0.74876%0.763SS**PPolyproline II helixtrans-58.7145.7164.9460000112.8
113P34Very low34.3Very low134 Ų134138 Ų13887%0.8777%0.766SS**PPolyproline II helixtrans-73.5155.3165.532.5-34000111.7
114D28.4Very low34.1Very low139 Ų139143.4 Ų143.474%0.74377%0.774SS**  trans-125.8171.9-148.8-150.4-23.2000113.3
115I28.1Very low33.5Very low136 Ų136144.2 Ų144.270%0.69778%0.777SS**  trans69.1129.6160.1-62.4156.6000115.6
116K29.7Very low33.2Very low198 Ų198141.4 Ų141.486%0.86176%0.762SS**  cis-157.1171.147.1-149.2149.9-1701720114.2
117I33.7Very low32.6Very low161 Ų161141.6 Ų141.683%0.82677%0.773SS**  trans-130.5137.7-164.2-58.5159.1000112.8
118K28.1Very low32.8Very low161 Ų161138 Ų13870%0.776%0.764SS**  trans173.8157.7139.6-104.8-169.8162.9-146.40109.7
119E28.7Very low33.1Very low140 Ų140139.2 Ų139.265%0.65477%0.77SS**  cis-146.7-16712.7-151146.1-159.200112.6
120E28.1Very low33.1Very low158 Ų158137.4 Ų137.474%0.73877%0.768SS**  trans-66.8176.6-173.6-64148.588.100114.4
121E29.8Very low32.9Very low151 Ų151139.2 Ų139.271%0.70677%0.771SS**  cis-156.8150.417.8-168.4-170.7-177.100111.5V123E121-V123 HydrophobicContact CG-CG2 4.22Å; E121-V123 WeakPolarHBondContact OE2-CG2 3.37Å
122P31.9Very low33.1Very low126 Ų126139 Ų13982%0.81877%0.769SS**  trans-108.7103.3162.634.9-22.6000112.5
123V33.3Very low33.2Very low117 Ų117139.4 Ų139.471%0.70977%0.774SS**  trans-76.9147.7179.6-179.40000112.4E121E121-V123 HydrophobicContact CG-CG2 4.22Å; E121-V123 WeakPolarHBondContact OE2-CG2 3.37Å
124E36.8Very low33Very low180 Ų180138.7 Ų138.784%0.84177%0.773SS**  trans-69.9153.9-173.6-50177.4131.100114.8
125V35.1Very low33.1Very low145 Ų145137.7 Ų137.788%0.87978%0.777SS**  -155.7133128.9130.70000111.8
126D29.3Very low33.4Very low114 Ų114136.7 Ų136.761%0.6178%0.782SS**  trans-42.5160.2173.7174.342.9000117.5S128D126-S128 WeakPolarHBondContact OD1-CB 3.27Å; D126-S128 PolarHBondContact OD1-N 3.38Å; D126-S128 PolarHBondContact OD1-OG 3.08Å
127S29.1Very low33.9Very low124 Ų124132.8 Ų132.887%0.86778%0.776SS**  trans-154.155.2166.8-740000111.4
128S40.7Very low33.5Very low91 Ų91131.2 Ų131.264%0.63678%0.778SS**PPolyproline II helixtrans-74.3133.6176.3-64.40000112.4D126D126-S128 WeakPolarHBondContact OD1-CB 3.27Å; D126-S128 PolarHBondContact OD1-N 3.38Å; D126-S128 PolarHBondContact OD1-OG 3.08Å
129P42.1Very low33.7Very low118 Ų118128.7 Ų128.777%0.76678%0.781SS**PPolyproline II helixtrans-85.1148.7-179.933.9-34.8000112.8
130P42Very low34.3Very low131 Ų131127.8 Ų127.885%0.85179%0.787SS**PPolyproline II helixtrans-81.6148.117732.4-34.7000113.7
131D29.1Very low35.5Very low161 Ų161125.5 Ų125.586%0.86179%0.786SS**PPolyproline II helixtrans-76.8168.3-172.7-101.5-58.1000116.6
132S37.9Very low35.5Very low111 Ų111126.4 Ų126.478%0.77680%0.795SS**PPolyproline II helixtrans-101.1143169-60.80000112.3
133P42.2Very low35.5Very low131 Ų131128 Ų12885%0.85179%0.789SS**PPolyproline II helixtrans-90.6136.9165.933.8-30.6000111.8
134S29.2Very low35.3Very low119 Ų119129.8 Ų129.883%0.83279%0.79SS**PPolyproline II helixtrans-99.8155.9179.761.60000112.9
135S29.8Very low35.1Very low119 Ų119131 Ų13183%0.83279%0.792SS**  trans-162.2141.5146.844.10000112.4
136S34.6Very low34.8Very low115 Ų115132.3 Ų132.380%0.80479%0.789SS**  trans-129.6165.9169.3-47.50000107.3
137P39.7Very low34.9Very low115 Ų115133.3 Ų133.375%0.74780%0.798SS**  -157.3162.183.439.5-19.5000118.5
138C25.8Very low35.1Very low128 Ų128131.5 Ų131.587%0.86579%0.791SS**  trans66.1165.5148.1-76.90000123
139S31.8Very low35.1Very low109 Ų109133.3 Ų133.376%0.76280%0.801SS**  trans-152-164.1-174.2-41.20000107.2
140P43Very low34.6Very low121 Ų121137 Ų13779%0.78681%0.805SS**  cis-128.6-127.5-12.827-0.6000111.7
141P52.8Low34.6Very low109 Ų109135.9 Ų135.971%0.70880%0.797SS**  -115.9-179.2-92.437.6-23000114.6
142L30Very low34.6Very low171 Ų171135 Ų13590%0.89580%0.798SS**  trans-166.2-171.5139.9-108.8170.5000113.7
143K30.7Very low34.3Very low159 Ų159136.9 Ų136.969%0.69180%0.798SS**  trans-114.6163.9-153.6-73.3164.5135.8-116.80115.7
144E30.6Very low33.6Very low154 Ų154138 Ų13872%0.7280%0.795SS**  trans44.7131.9144.3-63.8163.789.900118.6
145K30.7Very low33.6Very low206 Ų206137.6 Ų137.690%0.89679%0.793SS**  -172165.266.7-167.6169.5-179.1178.20113.3
146E29.6Very low34Very low173 Ų173138.6 Ų138.681%0.80879%0.794SS**  trans-69.2146.6176.3-179.4-166.9139.500115.7
147V31.8Very low34.3Very low134 Ų134139.2 Ų139.281%0.81280%0.795SS**  trans178.4147.3134145.70000110.4
148A32.7Very low34Very low86 Ų86140 Ų14071%0.71180%0.798SS**  trans-120.9160.817500000111.1
149P40.5Very low35Very low130 Ų130139.6 Ų139.684%0.84479%0.794SS**  -143.9-176.684.134.2-14.1000116.5
150K32.1Very low34.9Very low195 Ų195140.6 Ų140.685%0.84880%0.796SS**  trans-97.9-174.5-173.8-73.8176.9-179.8175.50112.3
151P42.8Very low34.5Very low107 Ų107142.6 Ų142.670%0.69580%0.798SS**  cis-136.7172-37.933.3-16.2000114.5
152V28.6Very low33.6Very low143 Ų143143.5 Ų143.587%0.86780%0.801SS**  trans-139.5153.4144.9-176.10000108.9
153L31.3Very low34Very low150 Ų150146.3 Ų146.379%0.78580%0.8SS**  trans-140-174.9-176-75.7175.3000111.5
154I27.5Very low34.4Very low154 Ų154145 Ų14579%0.7981%0.808SS**  trans89.8118.9170.4-53.2162.5000112.4
155S30.2Very low34.4Very low112 Ų112140.9 Ų140.978%0.78381%0.806SS**  cis99.6145.522.6-55.20000115.3
156T37Very low34.6Very low139 Ų139136.7 Ų136.785%0.85380%0.803SS**  trans-85163.4-170.450.20000114.4
157P41.2Very low34.9Very low128 Ų128136.6 Ų136.683%0.83181%0.807SS**  trans-141.9168.3136.937.3-22.9000116.2
158T34Very low35.5Very low131 Ų131135.2 Ų135.280%0.80480%0.801SS**  trans-77.4150.6-177.7-39.80000114
159P45.2Very low35.4Very low120 Ų120139 Ų13978%0.77981%0.808SS**  trans-88.5140.9169.234-33.7000113.9
160T30.6Very low34.9Very low131 Ų131141.7 Ų141.780%0.80481%0.809SS**  trans-111148174.2-67.10000111.1
161I35.3Very low35.1Very low162 Ų162140 Ų14083%0.83181%0.809SS**  trans-78.5129.7-177.8-61.9170000111.5
162V32.9Very low34.4Very low128 Ų128138.7 Ų138.778%0.77681%0.814SS**  trans-135.8140.6166.9179.80000110.4
163R38.5Very low34.5Very low231 Ų231143.2 Ų143.287%0.87282%0.818SS**  trans-103145.5168.6-94.5-174.2168.594.9-4.7110.3
164P40Very low34.7Very low132 Ų132142.6 Ų142.686%0.85782%0.815SS**  trans-121.6174.8145.731.6-17.3000111.9
165G30.8Very low35.8Very low66 Ų66139.6 Ų139.668%0.6881%0.806SS**  trans-172173.9173.100000112.2
166S35Very low35.9Very low118 Ų118142.5 Ų142.583%0.82581%0.811SS**  trans90.9104.9-178.6-39.40000116.2
167L35.2Very low35.9Very low171 Ų171144.2 Ų144.290%0.89581%0.809SS**  42.8153.5120-58.7-177.4000120.4
168P43.3Very low36.4Very low106 Ų106143 Ų14369%0.68880%0.802SS**  cis-148.5175.430.443.5-23.2000119.8
169L31.3Very low36.1Very low165 Ų165142.7 Ų142.786%0.86480%0.799SS**  trans52120149.4-71167.7000122.7
170H30.5Very low35.8Very low187 Ų187144.1 Ų144.187%0.86680%0.8SS**  -155.1178.4115.9-155.458.4000112.2
171L35.5Very low36.7Very low160 Ų160144 Ų14484%0.83880%0.801SS**  trans-110.8149.2-168.9-159.372.6000111.7
172G28.8Very low36.7Very low79 Ų79141.4 Ų141.481%0.81480%0.797SS**  trans-169.1143.4179.200000115.1
173Y31.3Very low37.7Very low238 Ų238140.5 Ų140.593%0.93379%0.794SS**  trans-104177.5-167.4-142.9-106.7000113.3
174D34.3Very low37.5Very low136 Ų136136.3 Ų136.373%0.72779%0.794SS**  trans-154.6157.7-173.6-176.258.4000108.4
175P51.2Low37.3Very low92 Ų92135 Ų13560%0.59779%0.789SS**  cis-125.8-165.42.741-24000114.1
176L31.2Very low37.5Very low173 Ų173137.9 Ų137.991%0.90679%0.793SS**  165.5156.3124.2-85.4176.6000113.9
177H37.8Very low37.5Very low174 Ų174138.9 Ų138.981%0.80679%0.787SS**  trans-147.8128.4176.3177.4-98.9000109.2
178P52.4Low37.4Very low104 Ų104136.7 Ų136.768%0.67578%0.781SS**  -145.4-173.6107.132.4-10.1000112
179T28.1Very low36.7Very low123 Ų123140.1 Ų140.176%0.75579%0.788SS**  cis-165.8161.135.6-34.10000111.8
180L38.8Very low37Very low150 Ų150136.8 Ų136.879%0.78578%0.784SS**  trans-98174.1167.9-65.7171.1000111.6
181P49.6Very low37.5Very low128 Ų128133.2 Ų133.283%0.83178%0.778SS**  -145.8169.298.937.7-21.5000116.9
182S34Very low38.1Very low108 Ų108131.5 Ų131.576%0.75578%0.776SS**  trans-85.7-155.6178.2-27.20000111.7
183P53.5Low38.5Very low109 Ų109133.4 Ų133.471%0.70878%0.777SS**  cis-131.5174.1944.7-25.8000114.8
184T34.2Very low38.8Very low143 Ų143128.3 Ų128.388%0.87777%0.766SS**  -155.4171.379.529.30000113.9
185S37.5Very low38.8Very low105 Ų105133 Ų13373%0.73477%0.773SS**  trans-133.7171.8-156.7-47.20000114.7
186V33.8Very low38.1Very low127 Ų127136.9 Ų136.977%0.7778%0.784SS**  trans143.9103.7154.7162.90000108.1
187I35.5Very low38.5Very low138 Ų138137.9 Ų137.971%0.70879%0.786SS**  67.3120.363.4-55.6167000110
188T32.3Very low38.4Very low126 Ų126133.1 Ų133.177%0.77378%0.784SS**  cis-152.2-175.423.7-7.50000107.7
189Q29.9Very low37.6Very low177 Ų177133.8 Ų133.883%0.82779%0.791SS**  cis-142.6-176.17.8-56.8-178.85.500110.8
190A36.7Very low38.3Very low95 Ų95134 Ų13479%0.78580%0.795SS**  trans-145.6141.5157.800000110.2
191P40.4Very low38.6Very low112 Ų112134 Ų13473%0.72780%0.801SS**  -153.9-173.3113.241.4-24.7000113.5
192P48.5Very low37.8Very low125 Ų125131.3 Ų131.381%0.81280%0.797SS**  cis-121.2-177.3-20.824.2-1.7000113.3
193S38.5Very low38.4Very low118 Ų118132 Ų13283%0.82580%0.801SS**  trans-79.8144.1174.4178.30000113.7
194N35.9Very low37.7Very low132 Ų132134.7 Ų134.771%0.70681%0.809SS**  174.7112.2122.2-17611.5000113.8
195R36Very low38.6Very low233 Ų233133.1 Ų133.188%0.87980%0.801SS**  trans-179.3123.4147.3-102.6164.7-176.3-95.70.6106.5
196Q35.3Very low39.5Very low175 Ų175135.2 Ų135.282%0.81880%0.803SS**  cis74123.147.4-158.6166.226.600113.5
197M40.6Very low41Very low193 Ų193133 Ų13395%0.95179%0.79SS**  trans-67.4139.9-166.6-62.5-92.7-81.900113.3
198G35.6Very low42.4Very low74 Ų74132.1 Ų132.176%0.76379%0.785SS**  trans-177.5125.1169.100000112.4
199S34.5Very low43.5Very low119 Ų119132.5 Ų132.583%0.83278%0.777SS**  trans-79.4134.4179.8-54.70000111.6T201S199-T201 PolarHBondContact O-N 2.99Å
200P43.6Very low45.4Very low128 Ų128128.1 Ų128.183%0.83176%0.759SS**  trans-83.5110.8177.232-32.7000111.8
201T43.8Very low46.4Very low149 Ų149129.3 Ų129.391%0.91477%0.769SS**  trans-119.4100.214944.80000107.2S199S199-T201 PolarHBondContact O-N 2.99Å
202G34.4Very low47.6Very low71 Ų71129.2 Ų129.273%0.73276%0.762SS**  trans-145.8131.1179.300000109.7
203S45.2Very low48.4Very low122 Ų122126.5 Ų126.585%0.85376%0.757SS**PPolyproline II helixtrans-75.9131.3179.746.80000111.3
204L40.4Very low49.7Very low166 Ų166127 Ų12787%0.86975%0.746SS**PPolyproline II helixtrans-74.9133.7170.6-65.1171.3000110.1
205P52.4Low50.9Low110 Ų110124.3 Ų124.371%0.71474%0.735SS**PPolyproline II helixtrans-74.9134.4172.630.6-33000110.6
206L56.1Low51.8Low149 Ų149118.7 Ų118.778%0.7872%0.72SS**PPolyproline II helixtrans-88129.4173.1-144.377.1000109.6
207V65.5Low52.8Low82 Ų82115.1 Ų115.150%0.49771%0.712SS.*EExtended strand (participates in β ladder)trans-116.5134.3178.3-70.20000110.4
208M64.3Low53.4Low119 Ų119110.3 Ų110.359%0.58669%0.693SS**EExtended strand (participates in β ladder)trans-105.3135.7177.2-151.3171.585.900109.9L210 T215 M216 V218M208-L210 HydrophobicContact CE-CD1 4.27Å; M208-T215 WeakPolarHBondContact O-CA 3.41Å; M208-M216 PolarHBondContact N-O 2.92Å; M208-M216 VanDerWaalsContact N-O 3.14Å; M208-M216 PolarHBondContact O-N 3.25Å; M208-V218 HydrophobicContact CB-CG2 4.39Å
209H56.1Low54.3Low133 Ų133114.5 Ų114.562%0.61670%0.697SS**EExtended strand (participates in β ladder)trans-99.1134.1176.3-67.365.8000109T215H209-T215 HydrophobicContact CB-CG2 4.49Å; H209-T215 WeakPolarHBondContact CD2-CG2 3.43Å; H209-T215 WeakPolarHBondContact NE2-CG2 3.48Å
210L70.3Confident55Low85 Ų85114.8 Ų114.845%0.44570%0.696SS.*  trans-96.3156.9171.1-84.865.9000110.3M208 N212 G213 Q214M208-L210 HydrophobicContact CE-CD1 4.27Å; L210-N212 VanDerWaalsContact CB-OD1 3.29Å; L210-N212 WeakPolarHBondContact CB-OD1 3.41Å; L210-N212 PolarHBondContact O-N 3.14Å; L210-G213 PolarHBondContact O-N 2.87Å; L210-Q214 PolarHBondContact N-O 2.86Å
211A56.3Low55.4Low121 Ų121111.7 Ų111.7100%169%0.687SS**THydrogen-bonded Turntrans-64.1-5.9-176.600000114.9
212N65.4Low55.9Low109 Ų109110.3 Ų110.358%0.58368%0.681SS**THydrogen-bonded Turntrans-94.26.1172.567.2-10000113.6L210 Q214L210-N212 VanDerWaalsContact CB-OD1 3.29Å; L210-N212 WeakPolarHBondContact CB-OD1 3.41Å; L210-N212 PolarHBondContact O-N 3.14Å; N212-Q214 PolarHBondContact OD1-N 3.31Å
213G66.4Low56.3Low68 Ų68112.9 Ų112.970%0.70169%0.685SS**SBendtrans84.24.1175.800000115.7L210L210-G213 PolarHBondContact O-N 2.87Å
214Q65.1Low56.1Low129 Ų129113.6 Ų113.660%0.60368%0.684SS**  trans-90.7144.1173.3-71.9-174.4-16.800112.3L210 N212L210-Q214 PolarHBondContact N-O 2.86Å; N212-Q214 PolarHBondContact OD1-N 3.31Å
215T62Low56Low75 Ų75114.3 Ų114.346%0.4668%0.682SS.*EExtended strand (participates in β ladder)trans-106.7134.6175.338.90000111.1M208 H209M208-T215 WeakPolarHBondContact O-CA 3.41Å; H209-T215 HydrophobicContact CB-CG2 4.49Å; H209-T215 WeakPolarHBondContact CD2-CG2 3.43Å; H209-T215 WeakPolarHBondContact NE2-CG2 3.48Å
216M54.7Low55.1Low116 Ų116117.5 Ų117.557%0.57169%0.69SS**EExtended strand (participates in β ladder)trans-125.1135.8175.4-71.1-65.5-72.500110.9M208M208-M216 PolarHBondContact N-O 2.92Å; M208-M216 VanDerWaalsContact N-O 3.14Å; M208-M216 PolarHBondContact O-N 3.25Å
217P55.9Low54.1Low99 Ų99116.2 Ų116.264%0.64369%0.69SS**EExtended strand (participates in β ladder)trans-77.9134.7173.431.9-33000110.5
218V53.8Low52.7Low93 Ų93117.6 Ų117.656%0.56470%0.704SS**PPolyproline II helixtrans-102.7119.3177.9-178.60000109.6M208M208-V218 HydrophobicContact CB-CG2 4.39Å
219L54.9Low51.5Low162 Ų162118.1 Ų118.185%0.84871%0.713SS**PPolyproline II helixtrans-84.9128.1173.5-75.1168.9000110.4G221L219-G221 PolarHBondContact O-N 3.34Å
220P47.5Very low50.8Low125 Ų125119.5 Ų119.581%0.81272%0.724SS**PPolyproline II helixtrans-63.7126169.5-21.333.7000111.2
221G53.2Low48.8Very low62 Ų62121.2 Ų121.264%0.63974%0.743SS**PPolyproline II helixtrans-70.1164.3172.900000112.9L219L219-G221 PolarHBondContact O-N 3.34Å
222P53.7Low47.9Very low120 Ų120123.7 Ų123.778%0.77974%0.738SS**PPolyproline II helixtrans-64146.917728.1-34.8000111.5V224P222-V224 PolarHBondContact O-N 2.88Å
223P44Very low46.5Very low125 Ų125122.9 Ų122.981%0.81275%0.747SS**  trans-71.9113.7-173.328.3-34.8000112.2Q225P223-Q225 PolarHBondContact O-N 3.33Å
224V39.9Very low45Very low138 Ų138130.5 Ų130.584%0.83676%0.755SS**PPolyproline II helixtrans-72.1119.5166.5-178.90000108.5P222 M226P222-V224 PolarHBondContact O-N 2.88Å; V224-M226 PolarHBondContact O-N 3.3Å
225Q37.5Very low43.7Very low180 Ų180130.8 Ų130.884%0.84177%0.767SS**PPolyproline II helixtrans-76.2122.3172.5-72.5-172.6-6.600110.3P223P223-Q225 PolarHBondContact O-N 3.33Å
226M34.6Very low42.5Very low178 Ų178132.6 Ų132.688%0.87778%0.778SS**PPolyproline II helixtrans-67.8125.2164.6-81.4-74-173.600109.6V224 S228V224-M226 PolarHBondContact O-N 3.3Å; M226-S228 PolarHBondContact O-N 3.21Å
227P35.5Very low41.4Very low121 Ų121131.9 Ų131.979%0.78679%0.785SS**  trans-74.2109173.929.5-32.4000110
228S34.7Very low40.8Very low112 Ų112134.5 Ų134.578%0.78379%0.79SS**  trans-72.7140.1171.1-1660000110.5M226M226-S228 PolarHBondContact O-N 3.21Å
229V40.6Very low40.1Very low129 Ų129135.9 Ų135.978%0.78280%0.798SS**SBendtrans-72.8149.3-179.7-70.40000112.2
230I40.2Very low39.3Very low163 Ų163133.7 Ų133.784%0.83679%0.794SS**  trans11087.3-175.4-60.8158.1000111.3
231S28.9Very low38.8Very low120 Ų120135.3 Ų135.384%0.83980%0.796SS**  trans-136.4102.7162-79.90000108A233S231-A233 PolarHBondContact O-N 3.26Å
232L37.9Very low38.2Very low173 Ų173139.3 Ų139.391%0.90680%0.801SS**  trans-73.3113179.3-17070.2000108.9R234L232-R234 PolarHBondContact O-N 2.73Å
233A34.9Very low37.3Very low93 Ų93139.8 Ų139.877%0.76980%0.804SS**PPolyproline II helixtrans-62.5130-172.200000112.5S231S231-A233 PolarHBondContact O-N 3.26Å
234R36.1Very low37Very low228 Ų228137 Ų13786%0.8680%0.798SS**PPolyproline II helixtrans-99.6122.8160.4-73.3-176.8172.8-173.3-2.5108.2L232 V236L232-R234 PolarHBondContact O-N 2.73Å; R234-V236 PolarHBondContact O-N 3.37Å
235P36.1Very low37Very low134 Ų134138.8 Ų138.887%0.8780%0.801SS**PPolyproline II helixtrans-71.3117.1175.728.6-32.6000109.7
236V36.9Very low37.3Very low113 Ų113136.4 Ų136.469%0.68580%0.801SS**PPolyproline II helixtrans-92.7116.6166.9-1740000107.4R234 M238R234-V236 PolarHBondContact O-N 3.37Å; V236-M238 HydrophobicContact CG1-CE 3.69Å; V236-M238 PolarHBondContact O-N 2.82Å
237S33.1Very low37.2Very low102 Ų102131.4 Ų131.471%0.71380%0.796SS**  trans-71.1112.5175-175.30000109.5
238M42.7Very low37.6Very low153 Ų153131.6 Ų131.675%0.75480%0.797SS**PPolyproline II helixtrans-98.5116.7167.4-73-71.5106.500108.3V236V236-M238 HydrophobicContact CG1-CE 3.69Å; V236-M238 PolarHBondContact O-N 2.82Å
239V39.6Very low38.2Very low122 Ų122132 Ų13274%0.73980%0.797SS**PPolyproline II helixtrans-91.7123.9173.81790000108.5N241V239-N241 PolarHBondContact O-N 3.43Å
240P37.3Very low38.2Very low117 Ų117132.2 Ų132.276%0.7680%0.798SS**PPolyproline II helixtrans-64.3122.2172.6-20.233000110.4
241N36.8Very low37.7Very low158 Ų158132.1 Ų132.185%0.84580%0.799SS**PPolyproline II helixtrans-85.2131.6-179.7-167.132.6000111.3V239V239-N241 PolarHBondContact O-N 3.43Å
242I40.4Very low38.1Very low147 Ų147131.2 Ų131.275%0.75479%0.793SS**PPolyproline II helixtrans-95.7130.1179.2-57.9177.8000108.7G244I242-G244 PolarHBondContact O-N 3.45Å
243P36Very low38Very low129 Ų129129.1 Ų129.184%0.83879%0.793SS**PPolyproline II helixtrans-68.7121.1-178.5-2133.4000113.5
244G36.7Very low38Very low66 Ų66128.5 Ų128.568%0.6880%0.795SS**  trans169.7133.3166.900000115.6I242I242-G244 PolarHBondContact O-N 3.45Å
245I40.3Very low37.8Very low176 Ų176123.6 Ų123.690%0.90380%0.796SS**  trans74.8139.1166.7-52.7176.7000114.9
246P43Very low37.9Very low130 Ų130125.3 Ų125.384%0.84480%0.796SS**  trans-116.1166-155.124.2-2.7000116.3
247G33.9Very low37.7Very low74 Ų74125.3 Ų125.376%0.76380%0.801SS**  trans-143131.9169.900000112.3
248P44.2Very low38.5Very low124 Ų124127 Ų12781%0.80581%0.81SS**  trans-112.7173.7-179.341-33.9000113.7
249P46.5Very low38Very low121 Ų121124.2 Ų124.279%0.78681%0.805SS**  cis-116.3161.9-23.637.3-25.9000112
250V39.7Very low38Very low133 Ų133122.2 Ų122.281%0.80681%0.809SS**  trans-98.8136.4167.4-700000111.2
251N31.6Very low38.2Very low162 Ų162124.1 Ų124.187%0.86681%0.807SS**  trans-11491.9164.347.5-3.2000110.1
252S36.3Very low38.4Very low100 Ų100122.4 Ų122.470%0.69981%0.805SS**  trans-70143.3-176.9-56.10000113.5
253S35.4Very low38.7Very low130 Ų130123 Ų12391%0.90981%0.808SS**  trans-157.298.8142.7-82.20000108.9
254G34.8Very low39.5Very low80 Ų80119.9 Ų119.983%0.82579%0.788SS**  trans-104.5150.3172.200000110.7
255S32.2Very low41Very low125 Ų125120.7 Ų120.787%0.87478%0.783SS**  trans-137.3129.7160580000109.1
256I38.1Very low42.2Very low170 Ų170117.7 Ų117.787%0.87277%0.765SS**  trans-107.8120.6-177.6-39.9172.3000107.1
257S32.7Very low43Very low113 Ų113114.5 Ų114.579%0.7975%0.75SS**  trans-159.6135.5167.8-81.30000111
258P50.5Low44.6Very low137 Ų137118.3 Ų118.389%0.8975%0.746SS**  trans-87.7117.8-17732.8-32.3000112
259S32.8Very low45.9Very low95 Ų95118.2 Ų118.266%0.66474%0.736SS**  trans-142.7113.5160.9-1740000110.5H261S259-H261 PolarHBondContact O-N 2.93Å
260G39.1Very low46.9Very low79 Ų79119.9 Ų119.981%0.81473%0.726SS**  trans-87.386.4-174.200000113
261H40.2Very low48Very low157 Ų157119.6 Ų119.673%0.72772%0.72SS**  trans-105.3123.7163.9-72-56000110.6S259 I263S259-H261 PolarHBondContact O-N 2.93Å; H261-I263 PolarHBondContact O-N 3.2Å; H261-I263 VanDerWaalsContact O-N 3.1Å
262P42.5Very low49.9Very low122 Ų122119.3 Ų119.379%0.79271%0.711SS**  trans-72.3108-178.228.2-33.5000110.6P264P262-P264 WeakPolarHBondContact O-CD 3.29Å
263I46.8Very low50.9Low160 Ų160117.1 Ų117.182%0.82170%0.699SS**PPolyproline II helixtrans-57.5120.5176.1-59.1172000108.8H261 S265H261-I263 PolarHBondContact O-N 3.2Å; H261-I263 VanDerWaalsContact O-N 3.1Å; I263-S265 PolarHBondContact O-N 3.3Å
264P52.2Low51.9Low64 Ų64115.5 Ų115.542%0.41668%0.683SS.*PPolyproline II helixtrans-71.7123.817828.8-32.8000109.8P262 E266 K268 M269P262-P264 WeakPolarHBondContact O-CD 3.29Å; P264-E266 PolarHBondContact O-N 3.36Å; P264-K268 HydrophobicContact CB-CD 4.19Å; P264-M269 HydrophobicContact CG-CG 4.42Å
265S68.9Low52.8Low82 Ų82117 Ų11757%0.57367%0.672SS**PPolyproline II helixtrans-47.3140.6171.8172.80000111.6I263 A267 K268 M269I263-S265 PolarHBondContact O-N 3.3Å; S265-A267 PolarHBondContact O-N 2.97Å; S265-A267 VanDerWaalsContact O-N 3.08Å; S265-K268 WeakPolarHBondContact O-CA 3.41Å; S265-K268 VanDerWaalsContact O-CB 3.25Å; S265-K268 WeakPolarHBondContact O-CB 3.5Å; S265-K268 PolarHBondContact O-N 3.38Å; S265-M269 PolarHBondContact O-N 3.28Å
266E65.4Low53.7Low113 Ų113115.2 Ų115.253%0.52866%0.656SS.*Hα-helixtrans-47.9-38.4-179.6-170-173.7166.100113P264 K268 M269 R270P264-E266 PolarHBondContact O-N 3.36Å; E266-K268 VanDerWaalsContact C-N 3.28Å; E266-K268 PolarHBondContact O-N 3.18Å; E266-M269 PolarHBondContact O-N 2.97Å; E266-M269 VanDerWaalsContact O-N 3.13Å; E266-R270 VanDerWaalsContact CD-NH1 3.32Å; E266-R270 PolarHBondContact O-N 3.26Å; E266-R270 IonicContact OE1-CZ 3.97Å; E266-R270 IonicContact OE1-NH1 3.78Å; E266-R270 PolarHBondContact OE1-NH1 3.22Å; E266-R270 IonicContact OE1-NH2 3.49Å; E266-R270 PolarHBondContact OE1-NH2 2.91Å
267A59.8Low54.2Low64 Ų64114.6 Ų114.653%0.52965%0.649SS.*Hα-helixtrans-57.7-37.8175.200000112.9S265 R270 L271S265-A267 PolarHBondContact O-N 2.97Å; S265-A267 VanDerWaalsContact O-N 3.08Å; A267-R270 PolarHBondContact O-N 3.15Å; A267-L271 WeakPolarHBondContact O-CB 3.39Å; A267-L271 PolarHBondContact O-N 2.74Å
268K66.3Low54.8Low154 Ų154116.1 Ų116.167%0.6764%0.643SS**Hα-helixtrans-71.6-31.4178.4-167.5175.4-179.7179.70111.9P264 S265 E266 K272P264-K268 HydrophobicContact CB-CD 4.19Å; S265-K268 WeakPolarHBondContact O-CA 3.41Å; S265-K268 VanDerWaalsContact O-CB 3.25Å; S265-K268 WeakPolarHBondContact O-CB 3.5Å; S265-K268 PolarHBondContact O-N 3.38Å; E266-K268 VanDerWaalsContact C-N 3.28Å; E266-K268 PolarHBondContact O-N 3.18Å; K268-K272 PolarHBondContact O-N 3.39Å
269M72Confident54.4Low121 Ų121115.1 Ų115.160%0.59664%0.635SS**Hα-helixtrans-72.5-45.6172-64.7-144.8-62.700111.7P264 S265 E266 L271 K272 A273P264-M269 HydrophobicContact CG-CG 4.42Å; S265-M269 PolarHBondContact O-N 3.28Å; E266-M269 PolarHBondContact O-N 2.97Å; E266-M269 VanDerWaalsContact O-N 3.13Å; M269-L271 VanDerWaalsContact C-N 3.32Å; M269-L271 PolarHBondContact O-N 3.43Å; M269-K272 PolarHBondContact O-N 3.04Å; M269-A273 PolarHBondContact O-N 3.41Å
270R68.1Low54.8Low157 Ų157116 Ų11659%0.59264%0.64SS**Hα-helixtrans-56.1-45.6174-75.8-169171.1110.814.7111.7E266 A267 K272 A273 T274E266-R270 VanDerWaalsContact CD-NH1 3.32Å; E266-R270 PolarHBondContact O-N 3.26Å; E266-R270 IonicContact OE1-CZ 3.97Å; E266-R270 IonicContact OE1-NH1 3.78Å; E266-R270 PolarHBondContact OE1-NH1 3.22Å; E266-R270 IonicContact OE1-NH2 3.49Å; E266-R270 PolarHBondContact OE1-NH2 2.91Å; A267-R270 PolarHBondContact O-N 3.15Å; R270-K272 VanDerWaalsContact C-N 3.32Å; R270-K272 PolarHBondContact O-N 2.91Å; R270-A273 PolarHBondContact O-N 3.35Å; R270-T274 PolarHBondContact O-N 3.25Å; R270-T274 PolarHBondContact O-OG1 3.1Å; R270-T274 VanDerWaalsContact O-OG1 3.13Å
271L62.8Low55Low127 Ų127117 Ų11767%0.66564%0.636SS**Hα-helixtrans-64.6-34-179.7-152.3132.3000112.8A267 M269 L275A267-L271 WeakPolarHBondContact O-CB 3.39Å; A267-L271 PolarHBondContact O-N 2.74Å; M269-L271 VanDerWaalsContact C-N 3.32Å; M269-L271 PolarHBondContact O-N 3.43Å; L271-L275 WeakPolarHBondContact O-CB 3.47Å; L271-L275 PolarHBondContact O-N 3.05Å
272K70.6Confident55Low156 Ų156117.1 Ų117.168%0.67864%0.64SS**Hα-helixtrans-68.5-41.4172.6-169.3-174.8178.4-169.80112.1K268 M269 R270 L275 T276K268-K272 PolarHBondContact O-N 3.39Å; M269-K272 PolarHBondContact O-N 3.04Å; R270-K272 VanDerWaalsContact C-N 3.32Å; R270-K272 PolarHBondContact O-N 2.91Å; K272-L275 PolarHBondContact O-N 2.93Å; K272-T276 PolarHBondContact O-N 3.09Å; K272-T276 VanDerWaalsContact O-N 3.11Å; K272-T276 PolarHBondContact O-OG1 2.89Å
273A58.5Low54.8Low54 Ų54119.7 Ų119.745%0.44665%0.647SS.*Hα-helixtrans-61.7-49.4177.700000111.7M269 R270 L275 T276 H277M269-A273 PolarHBondContact O-N 3.41Å; R270-A273 PolarHBondContact O-N 3.35Å; A273-L275 VanDerWaalsContact C-N 3.34Å; A273-L275 PolarHBondContact O-N 3.17Å; A273-T276 PolarHBondContact O-N 3.41Å; A273-T276 VanDerWaalsContact O-N 3.16Å; A273-H277 PolarHBondContact O-N 2.92Å
274T55.4Low54.1Low95 Ų95115.4 Ų115.458%0.58364%0.642SS**Hα-helixtrans-59.8-42.1178.4-50.90000112.3R270 T276 H277R270-T274 PolarHBondContact O-N 3.25Å; R270-T274 PolarHBondContact O-OG1 3.1Å; R270-T274 VanDerWaalsContact O-OG1 3.13Å; T274-T276 VanDerWaalsContact C-N 3.32Å; T274-T276 PolarHBondContact O-N 3.01Å; T274-H277 PolarHBondContact O-N 2.85Å
275L53.2Low53.3Low112 Ų112116.6 Ų116.659%0.58667%0.666SS**Hα-helixtrans-66.9-32.5178.7-174.262000112.7L271 K272 A273L271-L275 WeakPolarHBondContact O-CB 3.47Å; L271-L275 PolarHBondContact O-N 3.05Å; K272-L275 PolarHBondContact O-N 2.93Å; A273-L275 VanDerWaalsContact C-N 3.34Å; A273-L275 PolarHBondContact O-N 3.17Å
276T52.6Low51.7Low87 Ų87118.3 Ų118.353%0.53468%0.677SS.*Hα-helixtrans-69.8-37.6179.3-50.40000111.4K272 A273 T274 Q278K272-T276 PolarHBondContact O-N 3.09Å; K272-T276 VanDerWaalsContact O-N 3.11Å; K272-T276 PolarHBondContact O-OG1 2.89Å; A273-T276 PolarHBondContact O-N 3.41Å; A273-T276 VanDerWaalsContact O-N 3.16Å; T274-T276 VanDerWaalsContact C-N 3.32Å; T274-T276 PolarHBondContact O-N 3.01Å; T276-Q278 PolarHBondContact O-N 3Å
277H48.2Very low50.2Low157 Ų157116.8 Ų116.873%0.72769%0.691SS**Hα-helixtrans-70.2-23.9178-90.3-90.9000114.7A273 T274 V279A273-H277 PolarHBondContact O-N 2.92Å; T274-H277 PolarHBondContact O-N 2.85Å; H277-V279 VanDerWaalsContact C-N 3.25Å; H277-V279 PolarHBondContact O-N 3.07Å
278Q44.4Very low49.3Very low145 Ų145121.9 Ų121.968%0.67871%0.706SS**G310 helixtrans-69.5-19.1179.1-87.9-169.5-1.300114.1T276T276-Q278 PolarHBondContact O-N 3Å
279V42.8Very low48Very low117 Ų117119 Ų11971%0.70970%0.701SS**G310 helixtrans-78.3-22-175.3-175.70000112.5H277H277-V279 VanDerWaalsContact C-N 3.25Å; H277-V279 PolarHBondContact O-N 3.07Å
280S40.9Very low46.4Very low112 Ų112119.8 Ų119.878%0.78371%0.712SS**G310 helixtrans-94.13.2-170.4-55.80000115.7
281S42.5Very low44.9Very low102 Ų102115.8 Ų115.871%0.71372%0.72SS**  trans-135.546.2-168.1-170.90000115.1
282I41.4Very low43.5Very low159 Ų159116.4 Ų116.482%0.81573%0.729SS**  trans-128.260.8167.652164.1000112.3
283N38.3Very low41.8Very low175 Ų175113.7 Ų113.794%0.93674%0.736SS**  trans-122.295.9167.8-157.314.4000109.8
284G30.8Very low40.5Very low71 Ų71117 Ų11773%0.73276%0.755SS**  trans165.8103.9-172.700000109.8
285G37.2Very low39.6Very low88 Ų88118.8 Ų118.891%0.90777%0.766SS**  trans-91.9132.3-166.400000114.8
286C33.9Very low38.6Very low119 Ų119122.4 Ų122.480%0.80478%0.783SS**  trans-135.8115.616256.80000110.2M288C286-M288 PolarHBondContact O-N 2.57Å
287G35.4Very low37.7Very low80 Ų80124.7 Ų124.783%0.82580%0.796SS**  trans-83.2108.1-17300000113
288M39.2Very low36.9Very low172 Ų172124 Ų12485%0.84780%0.803SS**  trans-72.2154.1177.2-74-148.174.400113.9C286C286-M288 PolarHBondContact O-N 2.57Å
289V40.7Very low36.1Very low93 Ų93121.5 Ų121.556%0.56481%0.807SS**  trans-106143.8178.9-52.70000109.7
290V38.2Very low35.5Very low138 Ų138125.6 Ų125.684%0.83681%0.81SS**PPolyproline II helixtrans-84.1118.9-177-175.90000109.7
291G34.8Very low35.2Very low72 Ų72125.9 Ų125.974%0.74281%0.809SS**PPolyproline II helixtrans-99.1130.9163.300000110.2
292T35.1Very low34.6Very low141 Ų141128.3 Ų128.387%0.86581%0.809SS**PPolyproline II helixtrans-83.5162178.534.40000112.5
293A33.8Very low34.1Very low99 Ų99129.7 Ų129.782%0.81881%0.812SS**PPolyproline II helixtrans-81.2154.1-171.500000114
294S31.3Very low33.7Very low123 Ų123127 Ų12786%0.8681%0.807SS**  trans-135146.1151.7-81.10000109.9
295T35.9Very low33.6Very low132 Ų132132.5 Ų132.581%0.8181%0.814SS**  trans-82.5140.5178.644.90000112
296M33.2Very low33.2Very low189 Ų189136.7 Ų136.793%0.93181%0.814SS**  trans-115.9122.8164.4-69.9-68.7-161.700109
297V33.4Very low33Very low134 Ų134138.1 Ų138.181%0.81281%0.813SS**  trans-89.9133.8173.5172.40000108.9A299V297-A299 PolarHBondContact O-N 2.64Å
298T30.5Very low32.9Very low142 Ų142141.1 Ų141.187%0.87181%0.808SS**  trans-79.8106173.648.80000110.6
299A29.3Very low32.5Very low93 Ų93140.7 Ų140.777%0.76980%0.804SS**PPolyproline II helixtrans-96136.9167.700000110.7V297V297-A299 PolarHBondContact O-N 2.64Å
300R28.8Very low32Very low204 Ų204143.8 Ų143.877%0.7781%0.812SS**PPolyproline II helixtrans-79.7137.2170.6158.1180164.3168.9-3.7109.2E302R300-E302 IonicContact CZ-OE2 2.77Å; R300-E302 IonicContact NE-OE2 2.72Å; R300-E302 PolarHBondContact NE-OE2 3.3Å; R300-E302 IonicContact NH2-OE2 3.18Å; R300-E302 PolarHBondContact NH2-OE2 3.4Å
301P36.3Very low32.2Very low118 Ų118142.6 Ų142.677%0.76681%0.807SS**PPolyproline II helixtrans-80.1140.4168.133.2-32.8000110.9
302E29.6Very low32Very low152 Ų152145.6 Ų145.671%0.7181%0.806SS**  trans-151.9144.2157.9-160.3158.9160.500108.7R300R300-E302 IonicContact CZ-OE2 2.77Å; R300-E302 IonicContact NE-OE2 2.72Å; R300-E302 PolarHBondContact NE-OE2 3.3Å; R300-E302 IonicContact NH2-OE2 3.18Å; R300-E302 PolarHBondContact NH2-OE2 3.4Å
303Q30.4Very low32Very low189 Ų189142.6 Ų142.688%0.88380%0.795SS**  trans-119.9121.2-175.1-69.5179.6-20.500110.3
304S30Very low32.1Very low119 Ų119143.9 Ų143.983%0.83280%0.796SS**  trans-172.9129133.155.30000112.8
305Q29.2Very low32.4Very low185 Ų185143.1 Ų143.186%0.86479%0.79SS**  trans-23.6146.6162.5-59.5158.2-5.500117.8
306I28.5Very low32.6Very low177 Ų177142.7 Ų142.791%0.90879%0.79SS**  -161.4155.7118.3-102.7159.4000110.7
307L30.3Very low32.7Very low149 Ų149137.9 Ų137.978%0.7878%0.78SS**  trans-95.2148.8-175.1174.571.3000111.3
308I33.2Very low32.9Very low143 Ų143139.1 Ų139.173%0.73378%0.777SS**  trans170.3143.3136.9-88.9155.5000113
309Q30.8Very low33.4Very low162 Ų162138.5 Ų138.576%0.75778%0.776SS**  trans13.1134.6167.3-87.760.172.100124.7
310H28.9Very low33.7Very low158 Ų158140.7 Ų140.773%0.73177%0.77SS**  trans-66.3165.6147.5-115-91.2000110.8
311P43.9Very low34.3Very low113 Ų113136.6 Ų136.673%0.73477%0.767SS**  cis-114-176.943.943.9-36.8000113.1
312D30.2Very low34.3Very low136 Ų136136.5 Ų136.573%0.72777%0.769SS**  cis-147.7-155.39.7-146.3-52.2000111
313A34Very low35.2Very low77 Ų77135.4 Ų135.464%0.63678%0.775SS**  trans-125.3165.8175.600000112.1
314P36.7Very low35.6Very low127 Ų127131 Ų13183%0.82577%0.772SS**  -135.2170.473.335-18.4000115.7
315S38.2Very low36.2Very low106 Ų106133.8 Ų133.874%0.74177%0.772SS**  trans-67.9157.1-179.1-169.50000113.7A317S315-A317 PolarHBondContact OG-N 3.27Å
316P39.4Very low36.8Very low124 Ų124131.1 Ų131.181%0.80577%0.77SS**  -137.3130.3105.336.4-25.7000116.2
317A34.5Very low37.6Very low88 Ų88128.4 Ų128.473%0.72776%0.762SS**  trans27.4113.7148.200000120.6S315S315-A317 PolarHBondContact OG-N 3.27Å
318Q38.7Very low38.6Very low159 Ų159128 Ų12874%0.74377%0.768SS**PPolyproline II helixtrans-94136.7151-75.9-163.8-11.300111.4
319P40Very low39.4Very low130 Ų130125.6 Ų125.684%0.84476%0.764SS**PPolyproline II helixtrans-76.8118.7158.7-11.128.2000110.2
320Q36.2Very low40.1Very low139 Ų139124 Ų12465%0.6577%0.766SS**PPolyproline II helixtrans-97.6125.4178.5-86.2-76.4-3000112.1
321V40.5Very low40.8Very low117 Ų117119.8 Ų119.871%0.70977%0.765SS**  trans26.3135.5158-60.40000122.4
322S37.4Very low40.7Very low117 Ų117118.2 Ų118.282%0.81877%0.769SS**  -157.8128.3126.6-82.60000110.7
323P48.8Very low41.4Very low128 Ų128122.6 Ų122.683%0.83178%0.776SS**  trans-87.4109.4-179.732.3-31.6000111.9
324A37.6Very low42.2Very low98 Ų98126.7 Ų126.781%0.8178%0.775SS**PPolyproline II helixtrans-83.6142.7173.200000112.1
325Q43.1Very low42.9Very low177 Ų177132.5 Ų132.583%0.82778%0.78SS**PPolyproline II helixtrans-72.4152.4177.1-69.4-178.6-11.700112.3T327Q325-T327 PolarHBondContact O-N 2.98Å
326P43.1Very low43.6Very low129 Ų129137 Ų13784%0.83878%0.78SS**PPolyproline II helixtrans-72.6116.7179.629.2-34.5000112.1
327T45.1Very low44.2Very low120 Ų120135 Ų13574%0.73677%0.767SS**PPolyproline II helixtrans-82.8131.217448.10000111.5Q325 S329Q325-T327 PolarHBondContact O-N 2.98Å; T327-S329 PolarHBondContact O-N 3.48Å
328P51.5Low45.5Very low139 Ų139137.4 Ų137.490%0.90377%0.772SS**  trans-84.543.2-174.434.9-37.2000113.9
329S48.6Very low46.5Very low94 Ų94137.5 Ų137.566%0.65778%0.777SS**  trans-160.6123.7168.8-170.90000108.5T327T327-S329 PolarHBondContact O-N 3.48Å
330T45.3Very low47.6Very low128 Ų128133.8 Ų133.879%0.78575%0.749SS**  cis-126.114537.5-66.30000112.1G332T330-G332 PolarHBondContact O-N 3.45Å
331G44.2Very low50Low69 Ų69131.4 Ų131.471%0.71174%0.74SS**  trans-60.8103179.700000113.1R333G331-R333 PolarHBondContact O-N 3.3Å
332G42.3Very low52.3Low80 Ų80130.7 Ų130.783%0.82574%0.738SS**  trans-66.643.7168.900000113.7T330 R334T330-G332 PolarHBondContact O-N 3.45Å; G332-R334 PolarHBondContact O-N 3.39Å
333R43.8Very low54.9Low229 Ų229129.9 Ų129.986%0.86473%0.725SS**  trans-58.8103.2171.4-179-177.6-170-115.810.1107G331 R335G331-R333 PolarHBondContact O-N 3.3Å; R333-R335 PolarHBondContact O-N 2.8Å; R333-R335 VanDerWaalsContact O-N 3.14Å
334R50.8Low57Low163 Ų163128 Ų12862%0.61571%0.705SS**  trans-27.7117.5175.9-62.3178-178.9-167-1.6110.6G332 R336G332-R334 PolarHBondContact O-N 3.39Å; R334-R336 PolarHBondContact O-N 3.34Å
335R51.8Low59.5Low249 Ų249129.5 Ų129.594%0.9469%0.69SS**  trans-62.783.2150.9-77.7-168.2178.4-160.11.1106.4R333 T337R333-R335 PolarHBondContact O-N 2.8Å; R333-R335 VanDerWaalsContact O-N 3.14Å; R335-T337 PolarHBondContact O-N 3.08Å; R335-T337 VanDerWaalsContact O-N 3.15Å
336R52.8Low62Low199 Ų199128.3 Ų128.375%0.75168%0.678SS**  trans-54.1115.1147.5-60.9178-171.4160.90.9103.4R334 V338R334-R336 PolarHBondContact O-N 3.34Å; R336-V338 HydrophobicContact CB-CG2 4.16Å; R336-V338 PolarHBondContact O-N 2.93Å
337T52.9Low64.4Low84 Ų84128.8 Ų128.852%0.51567%0.668SS.*  trans-58.6101.5150.535.20000105R335 D339R335-T337 PolarHBondContact O-N 3.08Å; R335-T337 VanDerWaalsContact O-N 3.15Å; T337-D339 PolarHBondContact O-N 3.17Å
338V60.2Low66.8Low137 Ų137127.7 Ų127.783%0.8365%0.651SS**THydrogen-bonded Turntrans-70.1-9.6175.6173.30000110.3R336R336-V338 HydrophobicContact CB-CG2 4.16Å; R336-V338 PolarHBondContact O-N 2.93Å
339D60.1Low68.9Low161 Ų161126.7 Ų126.786%0.86163%0.632SS**THydrogen-bonded Turntrans-123.827.5-171-138.615.8000112T337T337-D339 PolarHBondContact O-N 3.17Å
340E63.8Low71.3Confident53 Ų53125.8 Ų125.825%0.24862%0.62CS.*SBendtrans-93.7113.6154.6-80.9-138.9167.300108.2R348E340-R348 IonicContact OE1-CZ 3.8Å; E340-R348 IonicContact OE1-NH1 3.35Å; E340-R348 PolarHBondContact OE1-NH1 2.67Å; E340-R348 IonicContact OE1-NH2 2.57Å; E340-R348 PolarHBondContact OE1-NH2 2.95Å; E340-R348 IonicContact OE2-CZ 3.9Å; E340-R348 IonicContact OE2-NE 2.72Å; E340-R348 IonicContact OE2-NH1 2.83Å; E340-R348 PolarHBondContact OE2-NH1 2.79Å; E340-R348 IonicContact OE2-NH2 3.04Å
341D86.8Confident73.7Confident88 Ų88125.8 Ų125.847%0.47161%0.611SS.*  trans-45.8130176.1-176.8-14.3000110.9D343 E344 R345D341-D343 PolarHBondContact O-N 3.47Å; D341-D343 VanDerWaalsContact O-N 3.14Å; D341-D343 PolarHBondContact OD1-N 3.36Å; D341-E344 HydrophobicContact CB-CB 4.15Å; D341-E344 HydrophobicContact CB-CG 4.21Å; D341-E344 PolarHBondContact O-N 3.42Å; D341-E344 VanDerWaalsContact O-N 3.11Å; D341-R345 PolarHBondContact O-N 3.31Å
342P89.2Confident76.3Confident103 Ų103129.6 Ų129.667%0.66960%0.604SS**Hα-helixtrans-43.2-39168-31.336.7000114.6R346P342-R346 WeakPolarHBondContact O-CB 3.28Å; P342-R346 PolarHBondContact O-N 3.04Å
343D90.4Very high78.9Confident99 Ų99130.1 Ų130.153%0.52959%0.588SS.*Hα-helixtrans-76.5-35.2179.7-90.2-35.8000113.3D341 R345 R346 Q347D341-D343 PolarHBondContact O-N 3.47Å; D341-D343 VanDerWaalsContact O-N 3.14Å; D341-D343 PolarHBondContact OD1-N 3.36Å; D343-R345 PolarHBondContact O-N 3.16Å; D343-R346 CarbonylContact O-C 3.59Å; D343-R346 WeakPolarHBondContact O-CB 3.36Å; D343-R346 PolarHBondContact O-N 2.83Å; D343-Q347 WeakPolarHBondContact O-CB 3.41Å; D343-Q347 PolarHBondContact O-N 3.37Å
344E92.8Very high81.5Confident89 Ų89127.7 Ų127.742%0.41658%0.579SS.*Hα-helixtrans-60.5-45.6168.3-84.5-159-146.500111.4D341 R346 Q347 R348D341-E344 HydrophobicContact CB-CB 4.15Å; D341-E344 HydrophobicContact CB-CG 4.21Å; D341-E344 PolarHBondContact O-N 3.42Å; D341-E344 VanDerWaalsContact O-N 3.11Å; E344-R346 PolarHBondContact O-N 3.19Å; E344-Q347 PolarHBondContact O-N 3.45Å; E344-R348 WeakPolarHBondContact O-CB 3.39Å; E344-R348 VanDerWaalsContact O-CG 3.27Å; E344-R348 WeakPolarHBondContact O-CG 3.36Å; E344-R348 PolarHBondContact O-N 3.3Å; E344-R348 IonicContact OE2-CZ 3.51Å; E344-R348 IonicContact OE2-NE 3.59Å; E344-R348 IonicContact OE2-NH2 2.67Å; E344-R348 PolarHBondContact OE2-NH2 3.39Å
345R91.4Very high83.8Confident130 Ų130121.6 Ų121.649%0.49156%0.563SS.*Hα-helixtrans-60.4-38177.2-175173.8-62.7153.411.3111.4D341 D343 F349D341-R345 PolarHBondContact O-N 3.31Å; D343-R345 PolarHBondContact O-N 3.16Å; R345-F349 PolarHBondContact O-N 2.97Å; R345-F349 VanDerWaalsContact O-N 3.13Å
346R94.3Very high86Confident152 Ų152112.3 Ų112.357%0.57454%0.54SS*.Hα-helixtrans-68-43.9175.7-173.3171.7177.3-90.2-3111.8P342 D343 E344 F349 L350P342-R346 WeakPolarHBondContact O-CB 3.28Å; P342-R346 PolarHBondContact O-N 3.04Å; D343-R346 CarbonylContact O-C 3.59Å; D343-R346 WeakPolarHBondContact O-CB 3.36Å; D343-R346 PolarHBondContact O-N 2.83Å; E344-R346 PolarHBondContact O-N 3.19Å; R346-F349 PolarHBondContact O-N 2.92Å; R346-L350 HydrophobicContact CG-CD1 4.23Å; R346-L350 WeakPolarHBondContact O-CG 3.4Å; R346-L350 PolarHBondContact O-N 3.23Å
347Q95.3Very high88.2Confident138 Ų138104.6 Ų104.665%0.64552%0.519SS*.Hα-helixtrans-59.2-49.9174.3177.7170.2-24.500111.3D343 E344 F349 L350 E351D343-Q347 WeakPolarHBondContact O-CB 3.41Å; D343-Q347 PolarHBondContact O-N 3.37Å; E344-Q347 PolarHBondContact O-N 3.45Å; Q347-F349 PolarHBondContact O-N 3.12Å; Q347-L350 PolarHBondContact O-N 3.49Å; Q347-L350 VanDerWaalsContact O-N 3.12Å; Q347-E351 WeakPolarHBondContact O-CB 3.18Å; Q347-E351 PolarHBondContact O-N 2.74Å
348R95.3Very high90.3Very high97 Ų97104 Ų10437%0.36652%0.518SS..Hα-helixtrans-60.5-31.3177.2-65.3169.9-170.2-15314.6112.3E340 E344 R352E340-R348 IonicContact OE1-CZ 3.8Å; E340-R348 IonicContact OE1-NH1 3.35Å; E340-R348 PolarHBondContact OE1-NH1 2.67Å; E340-R348 IonicContact OE1-NH2 2.57Å; E340-R348 PolarHBondContact OE1-NH2 2.95Å; E340-R348 IonicContact OE2-CZ 3.9Å; E340-R348 IonicContact OE2-NE 2.72Å; E340-R348 IonicContact OE2-NH1 2.83Å; E340-R348 PolarHBondContact OE2-NH1 2.79Å; E340-R348 IonicContact OE2-NH2 3.04Å; E344-R348 WeakPolarHBondContact O-CB 3.39Å; E344-R348 VanDerWaalsContact O-CG 3.27Å; E344-R348 WeakPolarHBondContact O-CG 3.36Å; E344-R348 PolarHBondContact O-N 3.3Å; E344-R348 IonicContact OE2-CZ 3.51Å; E344-R348 IonicContact OE2-NE 3.59Å; E344-R348 IonicContact OE2-NH2 2.67Å; E344-R348 PolarHBondContact OE2-NH2 3.39Å; R348-R352 VanDerWaalsContact C-NH2 3.34Å; R348-R352 WeakPolarHBondContact O-CG 3.49Å; R348-R352 VanDerWaalsContact O-CZ 3.22Å; R348-R352 PolarHBondContact O-N 2.96Å; R348-R352 PolarHBondContact O-NE 3.43Å; R348-R352 PolarHBondContact O-NH2 3.15Å
349F95.5Very high92.2Very high118 Ų118106.1 Ų106.152%0.51851%0.511SS..Hα-helixtrans-73-46172.6177.2-92.7000112.2R345 R346 Q347 E351 R352 N353R345-F349 PolarHBondContact O-N 2.97Å; R345-F349 VanDerWaalsContact O-N 3.13Å; R346-F349 PolarHBondContact O-N 2.92Å; Q347-F349 PolarHBondContact O-N 3.12Å; F349-E351 VanDerWaalsContact C-N 3.3Å; F349-E351 PolarHBondContact O-N 3.22Å; F349-R352 PolarHBondContact O-N 3.38Å; F349-N353 WeakPolarHBondContact O-CB 3.45Å; F349-N353 PolarHBondContact O-N 3.49Å
350L97.6Very high94Very high76 Ų76102.7 Ų102.740%0.39850%0.499SS..Hα-helixtrans-62.4-36.7178.2-71.7170.7000112R346 Q347 N353 R354R346-L350 HydrophobicContact CG-CD1 4.23Å; R346-L350 WeakPolarHBondContact O-CG 3.4Å; R346-L350 PolarHBondContact O-N 3.23Å; Q347-L350 PolarHBondContact O-N 3.49Å; Q347-L350 VanDerWaalsContact O-N 3.12Å; L350-N353 PolarHBondContact O-N 3.01Å; L350-R354 VanDerWaalsContact O-CB 3.3Å; L350-R354 WeakPolarHBondContact O-CB 3.39Å; L350-R354 PolarHBondContact O-N 3.33Å
351E97.4Very high95.7Very high128 Ų128109.5 Ų109.560%0.59852%0.522SS*.Hα-helixtrans-66.1-47.8173.6-177.4173.5-119.100112.1Q347 F349 N353 R354 A355Q347-E351 WeakPolarHBondContact O-CB 3.18Å; Q347-E351 PolarHBondContact O-N 2.74Å; F349-E351 VanDerWaalsContact C-N 3.3Å; F349-E351 PolarHBondContact O-N 3.22Å; E351-N353 VanDerWaalsContact C-N 3.29Å; E351-N353 PolarHBondContact O-N 3.47Å; E351-R354 WeakPolarHBondContact O-CB 3.46Å; E351-R354 PolarHBondContact O-N 3.29Å; E351-A355 WeakPolarHBondContact O-CB 3.28Å; E351-A355 PolarHBondContact O-N 3.44Å
352R97.4Very high96.2Very high148 Ų148110.2 Ų110.256%0.55852%0.523SS*.Hα-helixtrans-58.7-40.3173.3-82.6177.8-86.8119.3-4.6112R348 F349 A355 A356R348-R352 VanDerWaalsContact C-NH2 3.34Å; R348-R352 WeakPolarHBondContact O-CG 3.49Å; R348-R352 VanDerWaalsContact O-CZ 3.22Å; R348-R352 PolarHBondContact O-N 2.96Å; R348-R352 PolarHBondContact O-NE 3.43Å; R348-R352 PolarHBondContact O-NH2 3.15Å; F349-R352 PolarHBondContact O-N 3.38Å; R352-A355 PolarHBondContact O-N 2.96Å; R352-A356 WeakPolarHBondContact O-CB 3.39Å; R352-A356 PolarHBondContact O-N 3.4Å
353N97.9Very high96.7Very high91 Ų91113.3 Ų113.349%0.48753%0.525SS..Hα-helixtrans-64.5-45.9174.4-175.6-84.6000111.8F349 L350 E351 A355 A356 A357F349-N353 WeakPolarHBondContact O-CB 3.45Å; F349-N353 PolarHBondContact O-N 3.49Å; L350-N353 PolarHBondContact O-N 3.01Å; E351-N353 VanDerWaalsContact C-N 3.29Å; E351-N353 PolarHBondContact O-N 3.47Å; N353-A355 VanDerWaalsContact C-N 3.34Å; N353-A355 PolarHBondContact O-N 3.48Å; N353-A356 PolarHBondContact O-N 2.88Å; N353-A356 VanDerWaalsContact O-N 3.15Å; N353-A357 WeakPolarHBondContact O-CB 3.45Å; N353-A357 PolarHBondContact O-N 3.24Å
354R98.6Very high97.1Very high179 Ų179116.9 Ų116.968%0.67553%0.531SS*.Hα-helixtrans-57.4-46175.5-168.4-173.6-57.9-98.73.1111.3L350 E351 A356 A357 S358L350-R354 VanDerWaalsContact O-CB 3.3Å; L350-R354 WeakPolarHBondContact O-CB 3.39Å; L350-R354 PolarHBondContact O-N 3.33Å; E351-R354 WeakPolarHBondContact O-CB 3.46Å; E351-R354 PolarHBondContact O-N 3.29Å; R354-A356 PolarHBondContact O-N 2.89Å; R354-A357 PolarHBondContact O-N 3.2Å; R354-S358 PolarHBondContact O-N 3.28Å; R354-S358 PolarHBondContact O-OG 2.91Å
355A98.3Very high97.4Very high35 Ų35119.7 Ų119.729%0.28954%0.542SS..Hα-helixtrans-69.1-29.4177.500000113.5E351 R352 N353 R359E351-A355 WeakPolarHBondContact O-CB 3.28Å; E351-A355 PolarHBondContact O-N 3.44Å; R352-A355 PolarHBondContact O-N 2.96Å; N353-A355 VanDerWaalsContact C-N 3.34Å; N353-A355 PolarHBondContact O-N 3.48Å; A355-R359 WeakPolarHBondContact O-CB 3.27Å; A355-R359 WeakPolarHBondContact O-CG 3.42Å; A355-R359 PolarHBondContact O-N 2.9Å; A355-R359 PolarHBondContact O-NE 3.48Å
356A98.1Very high97.7Very high54 Ų54118.6 Ų118.645%0.44655%0.546SS..Hα-helixtrans-73.1-43171.500000111.7R352 N353 R354 R359 C360R352-A356 WeakPolarHBondContact O-CB 3.39Å; R352-A356 PolarHBondContact O-N 3.4Å; N353-A356 PolarHBondContact O-N 2.88Å; N353-A356 VanDerWaalsContact O-N 3.15Å; R354-A356 PolarHBondContact O-N 2.89Å; A356-R359 PolarHBondContact O-N 2.94Å; A356-C360 WeakPolarHBondContact O-CB 3.43Å; A356-C360 PolarHBondContact O-N 2.98Å
357A98.4Very high97.9Very high37 Ų37119 Ų11931%0.30655%0.547SS..Hα-helixtrans-62.3-43.5176.400000111.8N353 R354 C360 R361N353-A357 WeakPolarHBondContact O-CB 3.45Å; N353-A357 PolarHBondContact O-N 3.24Å; R354-A357 PolarHBondContact O-N 3.2Å; A357-C360 PolarHBondContact O-N 3.01Å; A357-R361 WeakPolarHBondContact O-CB 3.48Å; A357-R361 VanDerWaalsContact O-CG 3.29Å; A357-R361 WeakPolarHBondContact O-CG 3.35Å; A357-R361 PolarHBondContact O-N 3.12Å
358S98.5Very high98.1Very high72 Ų72114.9 Ų114.950%0.50353%0.532SS..Hα-helixtrans-61.2-43.8173.3-66.30000112.1R354 R361 Q362R354-S358 PolarHBondContact O-N 3.28Å; R354-S358 PolarHBondContact O-OG 2.91Å; S358-R361 PolarHBondContact O-N 3.32Å; S358-Q362 WeakPolarHBondContact O-CB 3.3Å; S358-Q362 PolarHBondContact O-N 2.72Å
359R98.6Very high98.2Very high181 Ų181113.3 Ų113.368%0.68354%0.535SS*.Hα-helixtrans-64.9-38.6175.6-81.5179.3-90.8-141.11.7112.9A355 A356 Q362 K363A355-R359 WeakPolarHBondContact O-CB 3.27Å; A355-R359 WeakPolarHBondContact O-CG 3.42Å; A355-R359 PolarHBondContact O-N 2.9Å; A355-R359 PolarHBondContact O-NE 3.48Å; A356-R359 PolarHBondContact O-N 2.94Å; R359-Q362 PolarHBondContact O-N 2.69Å; R359-K363 WeakPolarHBondContact O-CB 3.49Å; R359-K363 PolarHBondContact O-N 2.7Å
360C98.6Very high98.4Very high89 Ų89111.4 Ų111.460%0.60154%0.537SS*.Hα-helixtrans-62.9-48.8174.1-1780000111.6A356 A357 Q362 K363 R364A356-C360 WeakPolarHBondContact O-CB 3.43Å; A356-C360 PolarHBondContact O-N 2.98Å; A357-C360 PolarHBondContact O-N 3.01Å; C360-Q362 PolarHBondContact O-N 3.03Å; C360-K363 PolarHBondContact O-N 2.78Å; C360-R364 PolarHBondContact O-N 2.68Å
361R98.7Very high98.4Very high195 Ų195112.2 Ų112.274%0.73654%0.541SS*.Hα-helixtrans-60.3-44.2175.9-71.4172.5-178.1-167.2-0.1111.8A357 S358 R364 K365A357-R361 WeakPolarHBondContact O-CB 3.48Å; A357-R361 VanDerWaalsContact O-CG 3.29Å; A357-R361 WeakPolarHBondContact O-CG 3.35Å; A357-R361 PolarHBondContact O-N 3.12Å; S358-R361 PolarHBondContact O-N 3.32Å; R361-R364 PolarHBondContact O-N 2.91Å; R361-K365 PolarHBondContact O-N 3.32Å
362Q98.7Very high98.5Very high104 Ų104111.3 Ų111.349%0.48654%0.537SS..Hα-helixtrans-66-42.5178-17565.3-0.600112.1S358 R359 C360 R364 K365 L366S358-Q362 WeakPolarHBondContact O-CB 3.3Å; S358-Q362 PolarHBondContact O-N 2.72Å; R359-Q362 PolarHBondContact O-N 2.69Å; C360-Q362 PolarHBondContact O-N 3.03Å; Q362-R364 VanDerWaalsContact C-N 3.32Å; Q362-R364 PolarHBondContact O-N 2.91Å; Q362-K365 PolarHBondContact O-N 3.47Å; Q362-L366 HydrophobicContact CG-CD1 4.29Å; Q362-L366 WeakPolarHBondContact O-CG 3.33Å; Q362-L366 PolarHBondContact O-N 2.94Å
363K98.6Very high98.6Very high167 Ų167111.1 Ų111.173%0.72654%0.54SS*.Hα-helixtrans-60.9-41.1173.9-172.9175.8-179.4179.50111.3R359 C360 W367R359-K363 WeakPolarHBondContact O-CB 3.49Å; R359-K363 PolarHBondContact O-N 2.7Å; C360-K363 PolarHBondContact O-N 2.78Å; K363-W367 WeakPolarHBondContact O-CB 3.45Å; K363-W367 PolarHBondContact O-N 3.46Å
364R98.5Very high98.6Very high174 Ų174110.9 Ų110.966%0.65753%0.534SS*.Hα-helixtrans-64.7-42174.3-173.6172.7179161.30.7112.2C360 R361 Q362 W367 V368C360-R364 PolarHBondContact O-N 2.68Å; R361-R364 PolarHBondContact O-N 2.91Å; Q362-R364 VanDerWaalsContact C-N 3.32Å; Q362-R364 PolarHBondContact O-N 2.91Å; R364-W367 PolarHBondContact O-N 3.33Å; R364-V368 HydrophobicContact CG-CG2 4.39Å; R364-V368 WeakPolarHBondContact O-CG2 3.17Å; R364-V368 PolarHBondContact O-N 3Å
365K98.8Very high98.6Very high148 Ų148104.9 Ų104.964%0.64352%0.523SS*.Hα-helixtrans-61.6-45.7176.8-174.2176.7-180179.30111.8R361 Q362 V368 S369R361-K365 PolarHBondContact O-N 3.32Å; Q362-K365 PolarHBondContact O-N 3.47Å; K365-V368 PolarHBondContact O-N 3.38Å; K365-S369 WeakPolarHBondContact O-CB 3.44Å; K365-S369 PolarHBondContact O-N 3.01Å
366L98.6Very high98.6Very high107 Ų107109.5 Ų109.556%0.5654%0.539SS*.Hα-helixtrans-65.2-38.7176.8-68.8172.2000112.2Q362 S370Q362-L366 HydrophobicContact CG-CD1 4.29Å; Q362-L366 WeakPolarHBondContact O-CG 3.33Å; Q362-L366 PolarHBondContact O-N 2.94Å; L366-S370 WeakPolarHBondContact O-CB 3.43Å; L366-S370 PolarHBondContact O-N 2.98Å
367W98.4Very high98.6Very high161 Ų161110.6 Ų110.661%0.6154%0.535SS*.Hα-helixtrans-65.2-46.4176.117853.8000112.3K363 R364 S370 L371K363-W367 WeakPolarHBondContact O-CB 3.45Å; K363-W367 PolarHBondContact O-N 3.46Å; R364-W367 PolarHBondContact O-N 3.33Å; W367-S370 PolarHBondContact O-N 3.34Å; W367-L371 HydrophobicContact CD2-CD1 4.22Å; W367-L371 HydrophobicContact CH2-CD1 4.48Å; W367-L371 HydrophobicContact CZ2-CD1 3.89Å; W367-L371 WeakPolarHBondContact O-CG 3.22Å; W367-L371 PolarHBondContact O-N 2.94Å
368V98.7Very high98.7Very high52 Ų52113.2 Ų113.232%0.31554%0.543SS..Hα-helixtrans-60.3-49.4175.4169.70000110.8R364 K365 S370 L371 E372R364-V368 HydrophobicContact CG-CG2 4.39Å; R364-V368 WeakPolarHBondContact O-CG2 3.17Å; R364-V368 PolarHBondContact O-N 3Å; K365-V368 PolarHBondContact O-N 3.38Å; V368-S370 VanDerWaalsContact C-N 3.25Å; V368-S370 PolarHBondContact O-N 3.26Å; V368-L371 WeakPolarHBondContact O-CA 3.42Å; V368-L371 WeakPolarHBondContact O-CB 3.49Å; V368-L371 PolarHBondContact O-N 3.47Å; V368-E372 HydrophobicContact CG1-CG 4.27Å; V368-E372 VanDerWaalsContact CG1-OE1 3.3Å; V368-E372 WeakPolarHBondContact CG1-OE1 3.34Å; V368-E372 WeakPolarHBondContact O-CG 3.26Å; V368-E372 PolarHBondContact O-N 2.7Å
369S98.6Very high98.7Very high64 Ų64113.7 Ų113.745%0.44854%0.543SS..Hα-helixtrans-60.5-32176.9-179.40000113.6K365 E372 K373K365-S369 WeakPolarHBondContact O-CB 3.44Å; K365-S369 PolarHBondContact O-N 3.01Å; S369-E372 VanDerWaalsContact CA-OE2 3.29Å; S369-E372 WeakPolarHBondContact CA-OE2 3.38Å; S369-K373 WeakPolarHBondContact O-CB 3.47Å; S369-K373 PolarHBondContact O-N 3.35Å
370S98.8Very high98.7Very high78 Ų78107.8 Ų107.855%0.54553%0.529SS..Hα-helixtrans-73.4-26.5173.3-170.60000113.5L366 W367 V368 K374L366-S370 WeakPolarHBondContact O-CB 3.43Å; L366-S370 PolarHBondContact O-N 2.98Å; W367-S370 PolarHBondContact O-N 3.34Å; V368-S370 VanDerWaalsContact C-N 3.25Å; V368-S370 PolarHBondContact O-N 3.26Å; S370-K374 WeakPolarHBondContact O-CB 3.4Å; S370-K374 PolarHBondContact O-N 2.82Å
371L98.8Very high98.7Very high93 Ų93107 Ų10749%0.48752%0.517SS..Hα-helixtrans-79.3-43.3173.9-69.2173.2000111W367 V368 K374 A375W367-L371 HydrophobicContact CD2-CD1 4.22Å; W367-L371 HydrophobicContact CH2-CD1 4.48Å; W367-L371 HydrophobicContact CZ2-CD1 3.89Å; W367-L371 WeakPolarHBondContact O-CG 3.22Å; W367-L371 PolarHBondContact O-N 2.94Å; V368-L371 WeakPolarHBondContact O-CA 3.42Å; V368-L371 WeakPolarHBondContact O-CB 3.49Å; V368-L371 PolarHBondContact O-N 3.47Å; L371-K374 PolarHBondContact O-N 2.99Å; L371-K374 VanDerWaalsContact O-N 3.12Å; L371-A375 PolarHBondContact O-N 3.3Å
372E98.7Very high98.7Very high108 Ų108102.7 Ų102.751%0.50551%0.509SS..Hα-helixtrans-54.5-54.5173.1-69.8164.4162.400110V368 S369 K374 A375 E376V368-E372 HydrophobicContact CG1-CG 4.27Å; V368-E372 VanDerWaalsContact CG1-OE1 3.3Å; V368-E372 WeakPolarHBondContact CG1-OE1 3.34Å; V368-E372 WeakPolarHBondContact O-CG 3.26Å; V368-E372 PolarHBondContact O-N 2.7Å; S369-E372 VanDerWaalsContact CA-OE2 3.29Å; S369-E372 WeakPolarHBondContact CA-OE2 3.38Å; E372-K374 VanDerWaalsContact C-N 3.27Å; E372-K374 PolarHBondContact O-N 2.77Å; E372-A375 WeakPolarHBondContact O-CB 3.27Å; E372-A375 PolarHBondContact O-N 2.95Å; E372-A375 VanDerWaalsContact O-N 3.09Å; E372-E376 WeakPolarHBondContact O-CG 3.37Å; E372-E376 PolarHBondContact O-N 3.31Å
373K98.8Very high98.7Very high144 Ų144102.1 Ų102.163%0.62651%0.508SS*.Hα-helixtrans-58-34.9175.4-176.3175.2179.4179.70113.5S369 E377S369-K373 WeakPolarHBondContact O-CB 3.47Å; S369-K373 PolarHBondContact O-N 3.35Å; K373-E377 WeakPolarHBondContact O-CB 3.37Å; K373-E377 PolarHBondContact O-N 3.49Å
374K98.6Very high98.7Very high86 Ų8699.8 Ų99.837%0.37450%0.5SS..Hα-helixtrans-75.3-31.1178.7-169.650.8170.5172.10112.2S370 L371 E372 E377 L378S370-K374 WeakPolarHBondContact O-CB 3.4Å; S370-K374 PolarHBondContact O-N 2.82Å; L371-K374 PolarHBondContact O-N 2.99Å; L371-K374 VanDerWaalsContact O-N 3.12Å; E372-K374 VanDerWaalsContact C-N 3.27Å; E372-K374 PolarHBondContact O-N 2.77Å; K374-E377 HydrophobicContact CD-CB 4.33Å; K374-E377 WeakPolarHBondContact CD-OE2 3.27Å; K374-E377 IonicContact NZ-OE1 3.39Å; K374-E377 PolarHBondContact NZ-OE1 2.96Å; K374-E377 IonicContact NZ-OE2 3.48Å; K374-E377 PolarHBondContact NZ-OE2 3.5Å; K374-L378 HydrophobicContact CD-CD1 4.47Å; K374-L378 HydrophobicContact CD-CG 4.31Å; K374-L378 HydrophobicContact CG-CD1 4.21Å; K374-L378 WeakPolarHBondContact O-CB 3.44Å; K374-L378 VanDerWaalsContact O-CG 3.26Å; K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 3.13Å
375A98.8Very high98.7Very high54 Ų5496.4 Ų96.445%0.44649%0.494SS..Hα-helixtrans-67.7-40.3170.700000111.7L371 E372 T379L371-A375 PolarHBondContact O-N 3.3Å; E372-A375 WeakPolarHBondContact O-CB 3.27Å; E372-A375 PolarHBondContact O-N 2.95Å; E372-A375 VanDerWaalsContact O-N 3.09Å; A375-T379 VanDerWaalsContact O-CB 3.27Å; A375-T379 WeakPolarHBondContact O-CB 3.26Å; A375-T379 PolarHBondContact O-N 3.13Å; A375-T379 PolarHBondContact O-OG1 2.94Å
376E98.8Very high98.7Very high131 Ų13191.9 Ų91.961%0.61248%0.481SS*.Hα-helixtrans-60-48.3171.9-67.8167178.200111.6E372 T379 S380E372-E376 WeakPolarHBondContact O-CG 3.37Å; E372-E376 PolarHBondContact O-N 3.31Å; E376-T379 PolarHBondContact O-N 2.98Å; E376-S380 WeakPolarHBondContact O-CB 3.12Å; E376-S380 PolarHBondContact O-N 3.22Å
377E98.8Very high98.7Very high78 Ų7891.3 Ų91.336%0.36448%0.479SS..Hα-helixtrans-60.4-47.7179.2-166.2-153135.400111.9K373 K374 S380 Q381K373-E377 WeakPolarHBondContact O-CB 3.37Å; K373-E377 PolarHBondContact O-N 3.49Å; K374-E377 HydrophobicContact CD-CB 4.33Å; K374-E377 WeakPolarHBondContact CD-OE2 3.27Å; K374-E377 IonicContact NZ-OE1 3.39Å; K374-E377 PolarHBondContact NZ-OE1 2.96Å; K374-E377 IonicContact NZ-OE2 3.48Å; K374-E377 PolarHBondContact NZ-OE2 3.5Å; E377-S380 PolarHBondContact O-N 2.89Å; E377-Q381 WeakPolarHBondContact O-CG 3.46Å; E377-Q381 PolarHBondContact O-N 2.91Å; E377-Q381 PolarHBondContact OE1-NE2 2.99Å
378L98.8Very high98.7Very high92 Ų9288.5 Ų88.548%0.48247%0.472SS..Hα-helixtrans-67-35.7178-71.4170.4000112.3K374 Q381 N382K374-L378 HydrophobicContact CD-CD1 4.47Å; K374-L378 HydrophobicContact CD-CG 4.31Å; K374-L378 HydrophobicContact CG-CD1 4.21Å; K374-L378 WeakPolarHBondContact O-CB 3.44Å; K374-L378 VanDerWaalsContact O-CG 3.26Å; K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 3.13Å; L378-Q381 PolarHBondContact O-N 2.72Å; L378-N382 VanDerWaalsContact O-CB 3.3Å; L378-N382 WeakPolarHBondContact O-CB 3.46Å; L378-N382 PolarHBondContact O-N 3.09Å
379T98.8Very high98.7Very high81 Ų8189.2 Ų89.250%0.49748%0.477SS..Hα-helixtrans-64-44.8173.5-59.20000110.9A375 E376 N382 I383A375-T379 VanDerWaalsContact O-CB 3.27Å; A375-T379 WeakPolarHBondContact O-CB 3.26Å; A375-T379 PolarHBondContact O-N 3.13Å; A375-T379 PolarHBondContact O-OG1 2.94Å; E376-T379 PolarHBondContact O-N 2.98Å; T379-N382 PolarHBondContact O-N 3.23Å; T379-I383 HydrophobicContact CG2-CD1 4.03Å; T379-I383 WeakPolarHBondContact O-CG1 3.48Å; T379-I383 PolarHBondContact O-N 3.18Å
380S98.9Very high98.7Very high57 Ų5789.5 Ų89.540%0.39948%0.476SS..Hα-helixtrans-62.5-43.5176.1-1740000112.2E376 E377 I383 Q384E376-S380 WeakPolarHBondContact O-CB 3.12Å; E376-S380 PolarHBondContact O-N 3.22Å; E377-S380 PolarHBondContact O-N 2.89Å; S380-I383 PolarHBondContact O-N 3.07Å; S380-Q384 VanDerWaalsContact O-CG 3.27Å; S380-Q384 WeakPolarHBondContact O-CG 3.48Å; S380-Q384 PolarHBondContact O-N 3.1Å; S380-Q384 PolarHBondContact O-NE2 3.12Å; S380-Q384 PolarHBondContact OG-NE2 2.8Å
381Q98.8Very high98.7Very high74 Ų7491.5 Ų91.535%0.34648%0.48SS..Hα-helixtrans-63.2-40.5174.8-74.4164.32.500112E377 L378 Q384 L385E377-Q381 WeakPolarHBondContact O-CG 3.46Å; E377-Q381 PolarHBondContact O-N 2.91Å; E377-Q381 PolarHBondContact OE1-NE2 2.99Å; L378-Q381 PolarHBondContact O-N 2.72Å; Q381-Q384 PolarHBondContact O-N 3.22Å; Q381-L385 WeakPolarHBondContact O-CB 3.42Å; Q381-L385 WeakPolarHBondContact O-CG 3.49Å; Q381-L385 PolarHBondContact O-N 3.08Å
382N98.7Very high98.7Very high104 Ų10491.2 Ų91.256%0.55648%0.478SS*.Hα-helixtrans-63.3-42.2176.5-172.8-79.9000112.2L378 T379 S386L378-N382 VanDerWaalsContact O-CB 3.3Å; L378-N382 WeakPolarHBondContact O-CB 3.46Å; L378-N382 PolarHBondContact O-N 3.09Å; T379-N382 PolarHBondContact O-N 3.23Å; N382-S386 VanDerWaalsContact O-CB 3.27Å; N382-S386 WeakPolarHBondContact O-CB 3.25Å; N382-S386 PolarHBondContact O-N 3.19Å; N382-S386 PolarHBondContact O-OG 3.27Å
383I98.8Very high98.7Very high91 Ų9194.2 Ų94.247%0.46749%0.485SS..Hα-helixtrans-63.4-45.6174.6-67.9164.3000110.7T379 S380 S386 N387T379-I383 HydrophobicContact CG2-CD1 4.03Å; T379-I383 WeakPolarHBondContact O-CG1 3.48Å; T379-I383 PolarHBondContact O-N 3.18Å; S380-I383 PolarHBondContact O-N 3.07Å; I383-S386 PolarHBondContact O-N 3.39Å; I383-N387 PolarHBondContact O-N 3.29Å; I383-N387 PolarHBondContact O-ND2 2.99Å
384Q98.8Very high98.7Very high118 Ų11892 Ų9255%0.55148%0.48SS*.Hα-helixtrans-59.2-49.6177.9-72.1167.25300111.9S380 Q381 S386 N387 E388S380-Q384 VanDerWaalsContact O-CG 3.27Å; S380-Q384 WeakPolarHBondContact O-CG 3.48Å; S380-Q384 PolarHBondContact O-N 3.1Å; S380-Q384 PolarHBondContact O-NE2 3.12Å; S380-Q384 PolarHBondContact OG-NE2 2.8Å; Q381-Q384 PolarHBondContact O-N 3.22Å; Q384-S386 VanDerWaalsContact C-N 3.33Å; Q384-S386 PolarHBondContact O-N 3.01Å; Q384-N387 WeakPolarHBondContact O-CB 3.44Å; Q384-N387 PolarHBondContact O-N 3.38Å; Q384-E388 PolarHBondContact O-N 3.48Å
385L98.8Very high98.7Very high103 Ų10392.8 Ų92.854%0.53949%0.485SS..Hα-helixtrans-65.4-34.8177.6-68.1169.1000112.4Q381 E388 V389Q381-L385 WeakPolarHBondContact O-CB 3.42Å; Q381-L385 WeakPolarHBondContact O-CG 3.49Å; Q381-L385 PolarHBondContact O-N 3.08Å; L385-E388 PolarHBondContact O-N 3.45Å; L385-V389 WeakPolarHBondContact O-CB 3.43Å; L385-V389 VanDerWaalsContact O-CG2 3.29Å; L385-V389 WeakPolarHBondContact O-CG2 3.3Å; L385-V389 PolarHBondContact O-N 3.34Å
386S98.7Very high98.7Very high54 Ų5493.8 Ų93.838%0.37849%0.485SS..Hα-helixtrans-67-37175.2-62.20000112.1N382 I383 Q384 T390N382-S386 VanDerWaalsContact O-CB 3.27Å; N382-S386 WeakPolarHBondContact O-CB 3.25Å; N382-S386 PolarHBondContact O-N 3.19Å; N382-S386 PolarHBondContact O-OG 3.27Å; I383-S386 PolarHBondContact O-N 3.39Å; Q384-S386 VanDerWaalsContact C-N 3.33Å; Q384-S386 PolarHBondContact O-N 3.01Å; S386-T390 WeakPolarHBondContact O-CB 3.29Å; S386-T390 PolarHBondContact O-N 3.27Å; S386-T390 PolarHBondContact O-OG1 3.37Å
387N98.8Very high98.7Very high94 Ų9490.1 Ų90.150%0.50348%0.478SS..Hα-helixtrans-67.2-44.9173.5-67.7-18000111.1I383 Q384 T390 L391I383-N387 PolarHBondContact O-N 3.29Å; I383-N387 PolarHBondContact O-ND2 2.99Å; Q384-N387 WeakPolarHBondContact O-CB 3.44Å; Q384-N387 PolarHBondContact O-N 3.38Å; N387-T390 WeakPolarHBondContact O-CA 3.39Å; N387-T390 WeakPolarHBondContact O-CB 3.35Å; N387-T390 PolarHBondContact O-N 3.16Å; N387-T390 VanDerWaalsContact O-N 3.1Å; N387-L391 WeakPolarHBondContact O-CG 3.44Å; N387-L391 PolarHBondContact O-N 3.34Å
388E98.7Very high98.6Very high103 Ų10393.3 Ų93.348%0.48149%0.492SS..Hα-helixtrans-59.7-48.1175.9-173-176.7171.300111.9Q384 L385 T390 L391 L392Q384-E388 PolarHBondContact O-N 3.48Å; L385-E388 PolarHBondContact O-N 3.45Å; E388-T390 PolarHBondContact O-N 3.18Å; E388-L391 PolarHBondContact O-N 3.23Å; E388-L391 VanDerWaalsContact O-N 3.17Å; E388-L392 HydrophobicContact CG-CD1 4.11Å; E388-L392 WeakPolarHBondContact O-CG 3.35Å; E388-L392 PolarHBondContact O-N 3.04Å
389V98.8Very high98.6Very high67 Ų6793.2 Ų93.241%0.40649%0.492SS..Hα-helixtrans-58.3-34.2173.8166.90000111.7L385 R393L385-V389 WeakPolarHBondContact O-CB 3.43Å; L385-V389 VanDerWaalsContact O-CG2 3.29Å; L385-V389 WeakPolarHBondContact O-CG2 3.3Å; L385-V389 PolarHBondContact O-N 3.34Å; V389-R393 WeakPolarHBondContact O-CB 3.34Å; V389-R393 WeakPolarHBondContact O-CD 3.46Å; V389-R393 WeakPolarHBondContact O-CG 3.34Å; V389-R393 PolarHBondContact O-N 2.96Å; V389-R393 VanDerWaalsContact O-N 3.08Å
390T98.8Very high98.5Very high69 Ų6995.4 Ų95.442%0.42350%0.495SS..Hα-helixtrans-72.4-42.2176.9-58.80000111.8S386 N387 E388 R393 N394S386-T390 WeakPolarHBondContact O-CB 3.29Å; S386-T390 PolarHBondContact O-N 3.27Å; S386-T390 PolarHBondContact O-OG1 3.37Å; N387-T390 WeakPolarHBondContact O-CA 3.39Å; N387-T390 WeakPolarHBondContact O-CB 3.35Å; N387-T390 PolarHBondContact O-N 3.16Å; N387-T390 VanDerWaalsContact O-N 3.1Å; E388-T390 PolarHBondContact O-N 3.18Å; T390-R393 PolarHBondContact O-N 3.25Å; T390-N394 PolarHBondContact O-N 3.03Å; T390-N394 PolarHBondContact O-ND2 3.31Å
391L98.8Very high98.4Very high121 Ų12198.9 Ų98.963%0.63450%0.504SS*.Hα-helixtrans-61.2-49.4174.9-69.3171.6000111.5N387 E388 R393 N394 E395N387-L391 WeakPolarHBondContact O-CG 3.44Å; N387-L391 PolarHBondContact O-N 3.34Å; E388-L391 PolarHBondContact O-N 3.23Å; E388-L391 VanDerWaalsContact O-N 3.17Å; L391-R393 VanDerWaalsContact C-N 3.31Å; L391-R393 PolarHBondContact O-N 2.95Å; L391-N394 WeakPolarHBondContact O-CB 3.4Å; L391-N394 PolarHBondContact O-N 3.44Å; L391-N394 VanDerWaalsContact O-N 3.09Å; L391-E395 PolarHBondContact O-N 2.96Å
392L98.8Very high98.2Very high86 Ų86100 Ų10045%0.4551%0.512SS..Hα-helixtrans-62.7-35.7178.4-67.5170.7000112.3E388 V396E388-L392 HydrophobicContact CG-CD1 4.11Å; E388-L392 WeakPolarHBondContact O-CG 3.35Å; E388-L392 PolarHBondContact O-N 3.04Å; L392-V396 WeakPolarHBondContact O-CB 3.4Å; L392-V396 VanDerWaalsContact O-CG2 3.29Å; L392-V396 WeakPolarHBondContact O-CG2 3.4Å; L392-V396 PolarHBondContact O-N 2.93Å
393R98.4Very high97.9Very high171 Ų171101 Ų10165%0.64552%0.517SS*.Hα-helixtrans-64.8-40.8172.5-79.4169174.9-175.8-2.1112.1V389 T390 L391 A397V389-R393 WeakPolarHBondContact O-CB 3.34Å; V389-R393 WeakPolarHBondContact O-CD 3.46Å; V389-R393 WeakPolarHBondContact O-CG 3.34Å; V389-R393 PolarHBondContact O-N 2.96Å; V389-R393 VanDerWaalsContact O-N 3.08Å; T390-R393 PolarHBondContact O-N 3.25Å; L391-R393 VanDerWaalsContact C-N 3.31Å; L391-R393 PolarHBondContact O-N 2.95Å; R393-A397 WeakPolarHBondContact O-CB 3.32Å; R393-A397 PolarHBondContact O-N 3.49Å
394N98.6Very high97.6Very high98 Ų98102.3 Ų102.352%0.52452%0.524SS..Hα-helixtrans-67.7-41.6177.9-68.5-16.7000111.5T390 L391 A397 Q398T390-N394 PolarHBondContact O-N 3.03Å; T390-N394 PolarHBondContact O-ND2 3.31Å; L391-N394 WeakPolarHBondContact O-CB 3.4Å; L391-N394 PolarHBondContact O-N 3.44Å; L391-N394 VanDerWaalsContact O-N 3.09Å; N394-A397 WeakPolarHBondContact O-CB 3.49Å; N394-A397 PolarHBondContact O-N 2.97Å; N394-Q398 WeakPolarHBondContact O-CB 3.39Å; N394-Q398 PolarHBondContact O-N 3.32Å
395E98.4Very high97.3Very high103 Ų103100.2 Ų100.248%0.48153%0.527SS..Hα-helixtrans-61.8-47.8174.1-175.8179.2-172.900111.4L391 A397 Q398 L399L391-E395 PolarHBondContact O-N 2.96Å; E395-A397 VanDerWaalsContact C-N 3.26Å; E395-A397 PolarHBondContact O-N 3.25Å; E395-Q398 PolarHBondContact O-N 3.19Å; E395-Q398 VanDerWaalsContact O-N 3.14Å; E395-L399 HydrophobicContact CG-CD1 4.04Å; E395-L399 HydrophobicContact CG-CG 4.43Å; E395-L399 WeakPolarHBondContact O-CB 3.29Å; E395-L399 WeakPolarHBondContact O-CG 3.45Å; E395-L399 PolarHBondContact O-N 3.26Å
396V98.4Very high96.7Very high74 Ų74100.1 Ų100.145%0.44852%0.524SS..Hα-helixtrans-60.3-35.6175.2168.30000111.9L392 K400L392-V396 WeakPolarHBondContact O-CB 3.4Å; L392-V396 VanDerWaalsContact O-CG2 3.29Å; L392-V396 WeakPolarHBondContact O-CG2 3.4Å; L392-V396 PolarHBondContact O-N 2.93Å; V396-K400 HydrophobicContact CG1-CD 4.11Å; V396-K400 WeakPolarHBondContact O-CB 3.42Å; V396-K400 WeakPolarHBondContact O-CG 3.39Å; V396-K400 PolarHBondContact O-N 3.43Å
397A98.2Very high96Very high55 Ų55104 Ų10446%0.45553%0.534SS..Hα-helixtrans-68.5-4317400000112.1R393 N394 E395 K400 Q401R393-A397 WeakPolarHBondContact O-CB 3.32Å; R393-A397 PolarHBondContact O-N 3.49Å; N394-A397 WeakPolarHBondContact O-CB 3.49Å; N394-A397 PolarHBondContact O-N 2.97Å; E395-A397 VanDerWaalsContact C-N 3.26Å; E395-A397 PolarHBondContact O-N 3.25Å; A397-K400 PolarHBondContact O-N 2.94Å; A397-Q401 WeakPolarHBondContact O-CB 3.33Å; A397-Q401 PolarHBondContact O-N 2.67Å
398Q98.1Very high95.1Very high144 Ų144105.3 Ų105.367%0.67354%0.541SS*.Hα-helixtrans-63.4-45.1177-174.3-179.98.400112N394 E395 Q401 L402N394-Q398 WeakPolarHBondContact O-CB 3.39Å; N394-Q398 PolarHBondContact O-N 3.32Å; E395-Q398 PolarHBondContact O-N 3.19Å; E395-Q398 VanDerWaalsContact O-N 3.14Å; Q398-Q401 PolarHBondContact O-N 3.43Å; Q398-L402 PolarHBondContact O-N 2.74Å
399L97.9Very high94.5Very high90 Ų90101.9 Ų101.947%0.47153%0.528SS..Hα-helixtrans-63.8-41.5176.4-68.8172.6000111.6E395 L402 L403E395-L399 HydrophobicContact CG-CD1 4.04Å; E395-L399 HydrophobicContact CG-CG 4.43Å; E395-L399 WeakPolarHBondContact O-CB 3.29Å; E395-L399 WeakPolarHBondContact O-CG 3.45Å; E395-L399 PolarHBondContact O-N 3.26Å; L399-L402 PolarHBondContact O-N 3.45Å; L399-L403 VanDerWaalsContact O-CG 3.32Å; L399-L403 WeakPolarHBondContact O-CG 3.45Å; L399-L403 PolarHBondContact O-N 3.11Å
400K96.2Very high93.4Very high128 Ų128103.7 Ų103.756%0.55754%0.541SS*.Hα-helixtrans-61.8-43172.3-77.1173.1-179.7-1800111.9V396 A397 L402 L403 L404V396-K400 HydrophobicContact CG1-CD 4.11Å; V396-K400 WeakPolarHBondContact O-CB 3.42Å; V396-K400 WeakPolarHBondContact O-CG 3.39Å; V396-K400 PolarHBondContact O-N 3.43Å; A397-K400 PolarHBondContact O-N 2.94Å; K400-L402 VanDerWaalsContact C-N 3.35Å; K400-L402 PolarHBondContact O-N 3.48Å; K400-L403 PolarHBondContact O-N 2.92Å; K400-L404 VanDerWaalsContact O-CD1 3.23Å; K400-L404 WeakPolarHBondContact O-CD1 3.35Å; K400-L404 PolarHBondContact O-N 3.45Å
401Q96.8Very high92.3Very high129 Ų129104.8 Ų104.860%0.60355%0.547SS*.Hα-helixtrans-63.2-40.3177.8-17660.623.900111.9A397 Q398 L404 A405A397-Q401 WeakPolarHBondContact O-CB 3.33Å; A397-Q401 PolarHBondContact O-N 2.67Å; Q398-Q401 PolarHBondContact O-N 3.43Å; Q401-L404 PolarHBondContact O-N 3.26Å; Q401-A405 WeakPolarHBondContact O-CB 3.37Å; Q401-A405 PolarHBondContact O-N 2.9Å
402L95.4Very high91Very high98 Ų98101.6 Ų101.651%0.51353%0.533SS..Hα-helixtrans-65.1-43175.3-175.263.3000111.7Q398 L399 K400 L404 A405 H406Q398-L402 PolarHBondContact O-N 2.74Å; L399-L402 PolarHBondContact O-N 3.45Å; K400-L402 VanDerWaalsContact C-N 3.35Å; K400-L402 PolarHBondContact O-N 3.48Å; L402-L404 VanDerWaalsContact C-N 3.34Å; L402-L404 PolarHBondContact O-N 2.84Å; L402-A405 PolarHBondContact O-N 3.36Å; L402-H406 PolarHBondContact O-CD2 3.34Å; L402-H406 PolarHBondContact O-N 3.48Å
403L92.5Very high89.6Confident126 Ų126100.1 Ų100.166%0.6653%0.533SS*.Hα-helixtrans-63.5-37.4174.7-71.3169.7000112.5L399 K400 H406 K407L399-L403 VanDerWaalsContact O-CG 3.32Å; L399-L403 WeakPolarHBondContact O-CG 3.45Å; L399-L403 PolarHBondContact O-N 3.11Å; K400-L403 PolarHBondContact O-N 2.92Å; L403-H406 PolarHBondContact O-N 3.33Å; L403-K407 PolarHBondContact O-N 2.9Å
404L92.8Very high88.3Confident117 Ų11797.4 Ų97.461%0.61353%0.531SS*.Hα-helixtrans-66.4-41.7172.3-96.377.1000111.9K400 Q401 L402 H406 K407K400-L404 VanDerWaalsContact O-CD1 3.23Å; K400-L404 WeakPolarHBondContact O-CD1 3.35Å; K400-L404 PolarHBondContact O-N 3.45Å; Q401-L404 PolarHBondContact O-N 3.26Å; L402-L404 VanDerWaalsContact C-N 3.34Å; L402-L404 PolarHBondContact O-N 2.84Å; L404-H406 VanDerWaalsContact C-N 3.27Å; L404-H406 PolarHBondContact O-N 3.41Å; L404-K407 VanDerWaalsContact O-CB 3.23Å; L404-K407 WeakPolarHBondContact O-CB 3.46Å; L404-K407 PolarHBondContact O-N 3.49Å
405A91.3Very high87Confident75 Ų7598.6 Ų98.662%0.6253%0.534SS*.Hα-helixtrans-62.8-33.2177.700000112.6Q401 L402Q401-A405 WeakPolarHBondContact O-CB 3.37Å; Q401-A405 PolarHBondContact O-N 2.9Å; L402-A405 PolarHBondContact O-N 3.36Å
406H87.2Confident85.8Confident101 Ų101101.3 Ų101.347%0.46854%0.544SS..THydrogen-bonded Turntrans-90.31.4176.3-75.3-77000114.9L402 L403 L404 D408 C409L402-H406 PolarHBondContact O-CD2 3.34Å; L402-H406 PolarHBondContact O-N 3.48Å; L403-H406 PolarHBondContact O-N 3.33Å; L404-H406 VanDerWaalsContact C-N 3.27Å; L404-H406 PolarHBondContact O-N 3.41Å; H406-D408 PolarHBondContact O-N 3.23Å; H406-D408 VanDerWaalsContact O-N 3.11Å; H406-C409 HydrophobicContact CB-CB 4.39Å; H406-C409 WeakPolarHBondContact O-CB 3.3Å; H406-C409 PolarHBondContact O-N 2.87Å
407K83.5Confident84.4Confident136 Ų136106.1 Ų106.159%0.59156%0.558SS**THydrogen-bonded Turntrans-54.1-36.7-173.1-159.6-147.390.4-135.10113.9L403 L404L403-K407 PolarHBondContact O-N 2.9Å; L404-K407 VanDerWaalsContact O-CB 3.23Å; L404-K407 WeakPolarHBondContact O-CB 3.46Å; L404-K407 PolarHBondContact O-N 3.49Å
408D80.8Confident83Confident121 Ų121108.5 Ų108.565%0.64757%0.567SS**THydrogen-bonded Turntrans-112.521.6-178.5-53-66.4000112.5H406H406-D408 PolarHBondContact O-N 3.23Å; H406-D408 VanDerWaalsContact O-N 3.11Å
409C84.2Confident81.2Confident30 Ų30109 Ų10920%0.20357%0.57CS.*  trans-60.7133.3179-179.20000111.2H406 V411 T412 A413H406-C409 HydrophobicContact CB-CB 4.39Å; H406-C409 WeakPolarHBondContact O-CB 3.3Å; H406-C409 PolarHBondContact O-N 2.87Å; C409-V411 PolarHBondContact O-N 2.94Å; C409-T412 PolarHBondContact O-N 2.87Å; C409-A413 PolarHBondContact O-N 3Å
410P75.6Confident79.1Confident106 Ų106107.1 Ų107.169%0.68857%0.572SS**Hα-helixtrans-61.3-29.6-176.322.3-33.7000113.6L414P410-L414 VanDerWaalsContact O-CB 3.27Å; P410-L414 WeakPolarHBondContact O-CB 3.48Å; P410-L414 PolarHBondContact O-N 3.38Å
411V76.1Confident77Confident91 Ų91111.2 Ų111.255%0.55259%0.586SS**Hα-helixtrans-66.4-45.1174.3-178.80000110.9C409 L414 Q415C409-V411 PolarHBondContact O-N 2.94Å; V411-L414 PolarHBondContact O-N 2.85Å; V411-Q415 WeakPolarHBondContact O-CG 3.46Å; V411-Q415 PolarHBondContact O-N 3.37Å
412T72.9Confident74.8Confident54 Ų54113 Ų11333%0.33160%0.598SS.*Hα-helixtrans-69-37.4178.6-48.10000111.8C409 K416C409-T412 PolarHBondContact O-N 2.87Å; T412-K416 PolarHBondContact O-N 2.8Å
413A69.4Low72.6Confident55 Ų55116.8 Ų116.846%0.45561%0.613SS.*Hα-helixtrans-64.4-41.7172.500000111.8C409 K416 K417C409-A413 PolarHBondContact O-N 3Å; A413-K416 PolarHBondContact O-N 3.21Å; A413-K417 WeakPolarHBondContact O-CB 3.33Å; A413-K417 PolarHBondContact O-N 3.46Å
414L69.1Low69.9Low115 Ų115116 Ų11660%0.60262%0.618SS**Hα-helixtrans-66.7-43.1176.2-17165000111.7P410 V411 K416 K417 T418P410-L414 VanDerWaalsContact O-CB 3.27Å; P410-L414 WeakPolarHBondContact O-CB 3.48Å; P410-L414 PolarHBondContact O-N 3.38Å; V411-L414 PolarHBondContact O-N 2.85Å; L414-K416 PolarHBondContact O-N 3.49Å; L414-K417 PolarHBondContact O-N 3.2Å; L414-K417 VanDerWaalsContact O-N 3.15Å; L414-T418 PolarHBondContact O-N 3.42Å; L414-T418 PolarHBondContact O-OG1 3.37Å; L414-T418 VanDerWaalsContact O-OG1 3.14Å
415Q72.7Confident67.9Low123 Ų123116 Ų11658%0.57563%0.625SS**Hα-helixtrans-58.6-47173.5-78.5178.9-36.300112.1V411 K417 T418 Q419V411-Q415 WeakPolarHBondContact O-CG 3.46Å; V411-Q415 PolarHBondContact O-N 3.37Å; Q415-K417 VanDerWaalsContact C-N 3.3Å; Q415-K417 PolarHBondContact O-N 2.93Å; Q415-T418 PolarHBondContact O-N 3.15Å; Q415-Q419 WeakPolarHBondContact O-CB 3.43Å; Q415-Q419 PolarHBondContact O-N 3.25Å
416K72.6Confident65.3Low160 Ų160122.5 Ų122.570%0.69664%0.64SS**Hα-helixtrans-57.9-40.8173.3-87.1-174.1171-1790112.5T412 A413 L414 Q419 G420T412-K416 PolarHBondContact O-N 2.8Å; A413-K416 PolarHBondContact O-N 3.21Å; L414-K416 PolarHBondContact O-N 3.49Å; K416-Q419 PolarHBondContact O-N 2.94Å; K416-G420 PolarHBondContact O-N 3.05Å
417K69.3Low63Low174 Ų174126.1 Ų126.176%0.75766%0.657SS**Hα-helixtrans-67-36.3178.2-170.8171.8-178.6177.50112.7A413 L414 Q415A413-K417 WeakPolarHBondContact O-CB 3.33Å; A413-K417 PolarHBondContact O-N 3.46Å; L414-K417 PolarHBondContact O-N 3.2Å; L414-K417 VanDerWaalsContact O-N 3.15Å; Q415-K417 VanDerWaalsContact C-N 3.3Å; Q415-K417 PolarHBondContact O-N 2.93Å
418T68.6Low61Low105 Ų105125.1 Ų125.164%0.64467%0.667SS**Hα-helixtrans-70.4-41.8174.3-57.20000111.8L414 Q415L414-T418 PolarHBondContact O-N 3.42Å; L414-T418 PolarHBondContact O-OG1 3.37Å; L414-T418 VanDerWaalsContact O-OG1 3.14Å; Q415-T418 PolarHBondContact O-N 3.15Å
419Q59.5Low58.9Low155 Ų155124.9 Ų124.972%0.72468%0.675SS**Hα-helixtrans-77-34.9-175.8-164.7163.21.400112.7Q415 K416 Y421 L422Q415-Q419 WeakPolarHBondContact O-CB 3.43Å; Q415-Q419 PolarHBondContact O-N 3.25Å; K416-Q419 PolarHBondContact O-N 2.94Å; Q419-Y421 PolarHBondContact O-N 2.75Å; Q419-Y421 VanDerWaalsContact O-N 3.1Å; Q419-L422 PolarHBondContact O-N 2.91Å
420G54.5Low56.8Low50 Ų50132.4 Ų132.452%0.51571%0.707SS.*THydrogen-bonded Turntrans-66.9-3.8175.700000115.5K416 L422K416-G420 PolarHBondContact O-N 3.05Å; G420-L422 VanDerWaalsContact C-N 3.28Å
421Y51.6Low55.3Low215 Ų215132.6 Ų132.684%0.84371%0.708SS**THydrogen-bonded Turntrans-78.1-12.4171.8-164.9-100.5000113Q419Q419-Y421 PolarHBondContact O-N 2.75Å; Q419-Y421 VanDerWaalsContact O-N 3.1Å
422L51.9Low53.3Low166 Ų166134.8 Ų134.887%0.86972%0.722SS**SBendtrans-97.8-7.5179.8-122.8171.7000113.9Q419 G420Q419-L422 PolarHBondContact O-N 2.91Å; G420-L422 VanDerWaalsContact C-N 3.28Å
423E48Very low51.5Low178 Ų178135.3 Ų135.383%0.83274%0.738SS**  trans-126.479.2-171.9-150.3166.7-162.800110.3
424S37Very low50.1Low109 Ų109138.4 Ų138.476%0.76276%0.757SS**  trans-110142.3178.1-170.70000110.6
425P50.6Low49.5Very low117 Ų117138.2 Ų138.276%0.7676%0.762SS**  trans-75.8147.7-161.6-16.732.2000114.7
426K36Very low47.6Very low211 Ų211136.8 Ų136.892%0.91777%0.772SS**  trans-119118.6152.3-88.6-173.3171.7-178.10108.9
427E39.9Very low46.6Very low178 Ų178134.8 Ų134.883%0.83278%0.775SS**  trans-80.9164.4171.8-68-169.210500112.3
428S40.3Very low45Very low114 Ų114133.1 Ų133.180%0.79778%0.779SS**  trans55103155.164.20000119.2
429S36.6Very low43.4Very low116 Ų116134.6 Ų134.681%0.81178%0.781SS**  -169.8121115.5500000112.6
430E39.7Very low42.3Very low189 Ų189135.7 Ų135.788%0.88379%0.786SS**  trans-74.1151.6144.8-70.9-165.399.400108
431P46Very low41.3Very low109 Ų109141.8 Ų141.871%0.70880%0.801SS**  -148.4151.296.737.1-21.2000116.1
432T33.7Very low40.9Very low137 Ų137136.4 Ų136.484%0.8480%0.795SS**  trans58.6129.9144.4-56.10000119.5
433G35.4Very low40.2Very low66 Ų66134 Ų13468%0.6879%0.792SS**  trans-108-170.6178.300000116.1
434S39.8Very low39.8Very low120 Ų120129.3 Ų129.384%0.83978%0.784SS**  trans81.9146175.3-138.20000116.2
435P56Low39.7Very low110 Ų110130.8 Ų130.871%0.71479%0.789SS**  cis-139.2155-43.835.8-20.8000115.8
436A32Very low38.9Very low94 Ų94129.7 Ų129.778%0.77779%0.789SS**  trans65.4175.7152.500000118.1
437P53.2Low39.4Very low118 Ų118125.6 Ų125.677%0.76678%0.784SS**  cis-128.1134.2-27.326.1-7000113.5
438V34.3Very low39.8Very low139 Ų139122.9 Ų122.984%0.84278%0.78SS**  trans-135.7103.5161.4-176.90000111.9
439I36Very low40.1Very low135 Ų135125 Ų12569%0.69278%0.783SS**  trans47.4118.9146.6-55.8176.2000118.8
440Q36Very low40.4Very low178 Ų178122 Ų12283%0.83277%0.769SS**  trans-80.4137.2174.3-57.9165.7-67.800112.6
441H34Very low40.9Very low178 Ų178119.8 Ų119.882%0.82476%0.763SS**  trans-129.788.1155.1-59.8-38.8000109.4
442S42.1Very low41.1Very low103 Ų103119.3 Ų119.372%0.7276%0.762SS**  trans-128.8155.2172-450000107.1
443S38.8Very low42Very low116 Ų116118 Ų11881%0.81175%0.753SS**  cis-147.2-166.618.3-52.10000108.5
444A37.7Very low43Very low79 Ų79124.6 Ų124.665%0.65376%0.758SS**  cis-157.4129.2600000109.5
445T36.3Very low43.9Very low140 Ų140122.6 Ų122.686%0.85974%0.744SS**  66.1117.897.367.20000119.2
446A34.3Very low43.9Very low94 Ų94120 Ų12078%0.77773%0.732SS**  trans-146.2154.2150.400000109
447P45.6Very low45.4Very low124 Ų124118.5 Ų118.581%0.80572%0.719SS**  trans-91.7158.1-150.834.3-37.6000117.3
448T47.9Very low45.8Very low122 Ų122119.4 Ų119.475%0.74871%0.713SS**  trans-112.995.7-173.7400000113.9
449N46Very low47.1Very low159 Ų159115.5 Ų115.585%0.8570%0.695SS**  trans-1057.7174.7-83.5-7.7000115
450G44.5Very low48.7Very low51 Ų51113.8 Ų113.853%0.52669%0.691SS.*  trans-88.5-12.5-168.300000117.9
451L48.6Very low50.1Low144 Ų144108.2 Ų108.275%0.75468%0.676SS**Hα-helixtrans-80.7-33.2-162-62.1179.1000114.9
452S51.6Low51.6Low98 Ų98104 Ų10469%0.68566%0.662SS**Hα-helixtrans-69.4-39.1-175.8-178.50000113.1R454 S455 A456S452-R454 PolarHBondContact O-N 2.94Å; S452-S455 PolarHBondContact O-N 3.38Å; S452-A456 PolarHBondContact O-N 2.91Å; S452-A456 VanDerWaalsContact O-N 3.1Å
453V52.8Low52.8Low110 Ų110102.5 Ų102.567%0.66765%0.652SS**Hα-helixtrans-67.3-36.9-175-1750000112.2A457V453-A457 WeakPolarHBondContact O-CB 3.44Å; V453-A457 PolarHBondContact O-N 2.87Å
454R56.1Low54.4Low205 Ų205100.7 Ų100.777%0.77464%0.636SS**Hα-helixtrans-62.8-48.1176-104.3-177.5170.9176.2-3.4111.9S452 A456 A457 E458S452-R454 PolarHBondContact O-N 2.94Å; R454-A456 PolarHBondContact O-N 3.42Å; R454-A457 PolarHBondContact O-N 2.85Å; R454-E458 PolarHBondContact O-N 3.12Å
455S57.4Low55.8Low78 Ų78103.3 Ų103.355%0.54564%0.638SS.*Hα-helixtrans-64.2-39-179.8-175.60000112.2S452 E458 A459S452-S455 PolarHBondContact O-N 3.38Å; S455-E458 PolarHBondContact O-N 3.22Å; S455-A459 WeakPolarHBondContact O-CB 3.27Å; S455-A459 PolarHBondContact O-N 3.28Å
456A57.6Low57.4Low56 Ų56100.9 Ų100.946%0.46362%0.623SS.*Hα-helixtrans-63-41.8173.600000112.6S452 R454 A459 V460S452-A456 PolarHBondContact O-N 2.91Å; S452-A456 VanDerWaalsContact O-N 3.1Å; R454-A456 PolarHBondContact O-N 3.42Å; A456-A459 PolarHBondContact O-N 2.87Å; A456-V460 WeakPolarHBondContact O-CG2 3.29Å; A456-V460 PolarHBondContact O-N 3.31Å; A456-V460 VanDerWaalsContact O-N 3.11Å
457A63.5Low58.8Low62 Ų62102.6 Ų102.651%0.51262%0.615SS.*Hα-helixtrans-65.7-38.2177.900000112.8V453 R454 A461V453-A457 WeakPolarHBondContact O-CB 3.44Å; V453-A457 PolarHBondContact O-N 2.87Å; R454-A457 PolarHBondContact O-N 2.85Å; A457-A461 WeakPolarHBondContact O-CB 3.47Å; A457-A461 PolarHBondContact O-N 3.15Å; A457-A461 VanDerWaalsContact O-N 3.13Å
458E61.2Low59.8Low137 Ų137102.7 Ų102.764%0.6461%0.607SS**Hα-helixtrans-67.1-41.3174.5-71.3-176.4123.300112.1R454 S455 V460 A461 T462R454-E458 PolarHBondContact O-N 3.12Å; S455-E458 PolarHBondContact O-N 3.22Å; E458-V460 PolarHBondContact O-N 3.13Å; E458-A461 PolarHBondContact O-N 3.14Å; E458-T462 PolarHBondContact O-N 2.82Å; E458-T462 PolarHBondContact O-OG1 3.22Å
459A61.4Low60.3Low56 Ų5699.6 Ų99.646%0.46359%0.593SS.*Hα-helixtrans-63.3-39.1177.600000113.2S455 A456 T462 S463S455-A459 WeakPolarHBondContact O-CB 3.27Å; S455-A459 PolarHBondContact O-N 3.28Å; A456-A459 PolarHBondContact O-N 2.87Å; A459-T462 PolarHBondContact O-OG1 3.49Å; A459-S463 WeakPolarHBondContact O-CB 3.5Å; A459-S463 PolarHBondContact O-N 3.19Å; A459-S463 VanDerWaalsContact O-N 3.14Å
460V69.1Low60.8Low99 Ų9995.1 Ų95.160%0.657%0.574SS**Hα-helixtrans-67-42174173.60000110.8A456 E458 T462 S463 V464A456-V460 WeakPolarHBondContact O-CG2 3.29Å; A456-V460 PolarHBondContact O-N 3.31Å; A456-V460 VanDerWaalsContact O-N 3.11Å; E458-V460 PolarHBondContact O-N 3.13Å; V460-T462 PolarHBondContact O-N 2.98Å; V460-S463 PolarHBondContact O-N 3.26Å; V460-V464 PolarHBondContact O-N 2.74Å; V460-V464 VanDerWaalsContact O-N 3.17Å
461A65.6Low61.1Low62 Ų6298.8 Ų98.851%0.51258%0.578SS.*Hα-helixtrans-63.4-40.7178.900000112.7A457 E458 L465A457-A461 WeakPolarHBondContact O-CB 3.47Å; A457-A461 PolarHBondContact O-N 3.15Å; A457-A461 VanDerWaalsContact O-N 3.13Å; E458-A461 PolarHBondContact O-N 3.14Å; A461-L465 PolarHBondContact O-N 3.49Å
462T66.8Low61.2Low88 Ų88102.1 Ų102.154%0.5458%0.58SS.*Hα-helixtrans-67.8-39.9175.552.30000112.1E458 A459 V460 V464 L465 T466E458-T462 PolarHBondContact O-N 2.82Å; E458-T462 PolarHBondContact O-OG1 3.22Å; A459-T462 PolarHBondContact O-OG1 3.49Å; V460-T462 PolarHBondContact O-N 2.98Å; T462-V464 VanDerWaalsContact C-N 3.35Å; T462-V464 PolarHBondContact O-N 3.33Å; T462-L465 WeakPolarHBondContact O-CB 3.48Å; T462-L465 PolarHBondContact O-N 3.14Å; T462-L465 VanDerWaalsContact O-N 3.13Å; T462-T466 PolarHBondContact O-N 3Å; T462-T466 PolarHBondContact O-OG1 2.79Å
463S66.3Low61Low72 Ų72101.7 Ų101.750%0.50357%0.574SS.*Hα-helixtrans-59.7-41.9177.8-169.70000112.9A459 V460 L465 Q467A459-S463 WeakPolarHBondContact O-CB 3.5Å; A459-S463 PolarHBondContact O-N 3.19Å; A459-S463 VanDerWaalsContact O-N 3.14Å; V460-S463 PolarHBondContact O-N 3.26Å; S463-L465 VanDerWaalsContact C-N 3.34Å; S463-Q467 PolarHBondContact O-N 3.23Å; S463-Q467 VanDerWaalsContact O-N 3.1Å
464V72.1Confident60.7Low79 Ų79104.3 Ų104.348%0.47958%0.579SS.*Hα-helixtrans-66.5-37.6176.3174.60000111.2V460 T462 Q467 M468V460-V464 PolarHBondContact O-N 2.74Å; V460-V464 VanDerWaalsContact O-N 3.17Å; T462-V464 VanDerWaalsContact C-N 3.35Å; T462-V464 PolarHBondContact O-N 3.33Å; V464-Q467 PolarHBondContact O-N 3.11Å; V464-M468 WeakPolarHBondContact O-CG 3.25Å; V464-M468 PolarHBondContact O-N 2.9Å
465L67.9Low60.1Low133 Ų133102.1 Ų102.170%0.69658%0.582SS**Hα-helixtrans-65.2-42.3178.4-149.378000111.9A461 T462 S463 M468 A469A461-L465 PolarHBondContact O-N 3.49Å; T462-L465 WeakPolarHBondContact O-CB 3.48Å; T462-L465 PolarHBondContact O-N 3.14Å; T462-L465 VanDerWaalsContact O-N 3.13Å; S463-L465 VanDerWaalsContact C-N 3.34Å; L465-M468 PolarHBondContact O-N 3.31Å; L465-A469 PolarHBondContact O-N 2.94Å; L465-A469 VanDerWaalsContact O-N 3.08Å
466T69.2Low59.4Low89 Ų89102.8 Ų102.855%0.54659%0.586SS.*Hα-helixtrans-63.7-42.5174.2-57.80000111.7T462 M468 A469 S470T462-T466 PolarHBondContact O-N 3Å; T462-T466 PolarHBondContact O-OG1 2.79Å; T466-M468 VanDerWaalsContact C-N 3.3Å; T466-M468 PolarHBondContact O-N 3.25Å; T466-A469 WeakPolarHBondContact O-CB 3.29Å; T466-A469 PolarHBondContact O-N 3Å; T466-A469 VanDerWaalsContact O-N 3.09Å; T466-S470 PolarHBondContact O-N 3.39Å; T466-S470 VanDerWaalsContact O-N 3.09Å; T466-S470 PolarHBondContact O-OG 2.83Å
467Q64.2Low58.4Low130 Ų130108 Ų10861%0.60760%0.603SS**Hα-helixtrans-65.6-31.4179.1-168.4173.49.600113S463 V464 Q471S463-Q467 PolarHBondContact O-N 3.23Å; S463-Q467 VanDerWaalsContact O-N 3.1Å; V464-Q467 PolarHBondContact O-N 3.11Å; Q467-Q471 PolarHBondContact O-NE2 3.39Å
468M65.5Low57.4Low127 Ų127110.8 Ų110.863%0.62662%0.616SS**Hα-helixtrans-71-36170.2-74.3-71.1-153.300112.7V464 L465 T466V464-M468 WeakPolarHBondContact O-CG 3.25Å; V464-M468 PolarHBondContact O-N 2.9Å; L465-M468 PolarHBondContact O-N 3.31Å; T466-M468 VanDerWaalsContact C-N 3.3Å; T466-M468 PolarHBondContact O-N 3.25Å
469A58.6Low56.1Low56 Ų56112.4 Ų112.446%0.46363%0.627SS.*Hα-helixtrans-67.3-47.8-179.700000112.2L465 T466 Q471 R472 T473L465-A469 PolarHBondContact O-N 2.94Å; L465-A469 VanDerWaalsContact O-N 3.08Å; T466-A469 WeakPolarHBondContact O-CB 3.29Å; T466-A469 PolarHBondContact O-N 3Å; T466-A469 VanDerWaalsContact O-N 3.09Å; A469-Q471 VanDerWaalsContact C-N 3.3Å; A469-Q471 PolarHBondContact O-N 2.72Å; A469-R472 PolarHBondContact O-N 2.67Å; A469-T473 PolarHBondContact O-OG1 3Å
470S56.6Low54.7Low66 Ų66117.6 Ų117.646%0.46264%0.642SS.*Hα-helixtrans-58.4-39.5-179.7-59.70000112.9T466 R472 T473T466-S470 PolarHBondContact O-N 3.39Å; T466-S470 VanDerWaalsContact O-N 3.09Å; T466-S470 PolarHBondContact O-OG 2.83Å; S470-R472 PolarHBondContact O-N 3.14Å; S470-R472 VanDerWaalsContact O-N 3.14Å; S470-T473 PolarHBondContact O-N 3.04Å
471Q52.3Low53.1Low127 Ų127118.3 Ų118.359%0.59365%0.651SS**Hα-helixtrans-63.6-17.6177.5-75.2172.990.300114Q467 A469Q467-Q471 PolarHBondContact O-NE2 3.39Å; A469-Q471 VanDerWaalsContact C-N 3.3Å; A469-Q471 PolarHBondContact O-N 2.72Å
472R49.3Very low51.5Low214 Ų214123 Ų12381%0.80866%0.662SS**Hα-helixtrans-90.9-13173.5-79.6-170.8164.5-159.3-5.2114.1A469 S470A469-R472 PolarHBondContact O-N 2.67Å; S470-R472 PolarHBondContact O-N 3.14Å; S470-R472 VanDerWaalsContact O-N 3.14Å
473T48.9Very low50.3Low89 Ų89125.2 Ų125.255%0.54668%0.675SS.*Hα-helixtrans-84.2-34.7-177-430000112.3A469 S470 L475 S476A469-T473 PolarHBondContact O-OG1 3Å; S470-T473 PolarHBondContact O-N 3.04Å; T473-L475 PolarHBondContact O-N 3.36Å; T473-L475 VanDerWaalsContact O-N 3.12Å; T473-S476 PolarHBondContact O-N 2.95Å
474E45.1Very low48.8Very low165 Ų165129.1 Ų129.177%0.77169%0.689SS**THydrogen-bonded Turntrans-66.9-10.1-178.1-57.1-58.213800114.9
475L44.4Very low47Very low160 Ų160133.4 Ų133.484%0.83871%0.706SS**THydrogen-bonded Turntrans-105.211-176.1-72.3171.4000114.2T473T473-L475 PolarHBondContact O-N 3.36Å; T473-L475 VanDerWaalsContact O-N 3.12Å
476S42.2Very low45.5Very low91 Ų91133.4 Ų133.464%0.63671%0.711SS**  trans-13480.7-174.4-165.50000112.9T473T473-S476 PolarHBondContact O-N 2.95Å
477M36.5Very low44.5Very low166 Ų166135.3 Ų135.382%0.81873%0.725SS**  trans-118.9134.2166.3-78.3-69.3134.300109.9
478P42.1Very low43.2Very low121 Ų121137.5 Ų137.579%0.78674%0.735SS**PPolyproline II helixtrans-82.4129.2-171.931.7-34.3000112.6
479I34.6Very low41.9Very low171 Ų171137 Ų13788%0.87774%0.744SS**PPolyproline II helixtrans-79.4131169.2-63.7175.3000109.1
480Q32.8Very low41.1Very low165 Ų165142.3 Ų142.377%0.77176%0.76SS**PPolyproline II helixtrans-74.1132.8179.1-68.9178.5-50.300111.9H482Q480-H482 PolarHBondContact O-N 2.97Å
481S34.8Very low40.5Very low113 Ų113144.6 Ų144.679%0.7978%0.776SS**  trans-81.398.3177.957.10000111.9
482H32.2Very low40Very low162 Ų162143.6 Ų143.675%0.7579%0.789SS**  trans-82.1116.5167.7-87.2-81.3000111.3Q480Q480-H482 PolarHBondContact O-N 2.97Å
483V41Very low39.9Very low134 Ų134137 Ų13781%0.81279%0.788SS**  trans-81.7126.8168.3177.80000108.8
484I35.4Very low39.6Very low153 Ų153147.7 Ų147.779%0.78582%0.818SS**  trans-129.3137.1170.2-61.6-178000108.2
485M33.3Very low39.4Very low170 Ų170146.9 Ų146.984%0.83782%0.821SS**  trans-80.3156.8-175.3-70.1171.158.100112.8
486T37.4Very low39.1Very low133 Ų133146.2 Ų146.282%0.81682%0.82SS**  trans-69.2159.1171.547.30000112.6
487P46.9Very low38.9Very low129 Ų129149.2 Ų149.284%0.83883%0.83SS**  trans-120.8168.7132.236.1-32000113.2
488Q38.4Very low39.1Very low175 Ų175148.2 Ų148.282%0.81883%0.831SS**  trans-103.7138.3-166.7168.5-168.424.100111.4
489S37.5Very low38.9Very low117 Ų117149.9 Ų149.982%0.81883%0.834SS**  trans-166.799.2152.4-86.20000115.8
490Q42.2Very low39.2Very low168 Ų168148.5 Ų148.579%0.78583%0.831SS**  trans28.8128135.7-61-169.185.200124.2
491S42.9Very low39.6Very low114 Ų114147.4 Ų147.480%0.79784%0.835SS**  92.9158.1124.977.10000121.9
492A41.6Very low40Very low105 Ų105150 Ų15087%0.86884%0.838SS**  trans68.3131.6-178.400000117
493G47.8Very low40.7Very low77 Ų77149 Ų14979%0.79485%0.846SS**  cis133.871.2-18.600000116.3
494R43.6Very low40.6Very low313 Ų313150.4 Ų150.4100%1.18185%0.849SS**  trans-161.40147.6-123-179.6-178.1-75.9-1112.5

Retrieved 494 of 494 residues in 230.6 ms (Link to these results)