A0A059RXE0_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB (Q4ZEE6), UniProt , Accession A0A059RXE0, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 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
1M56Low73.1Confident200 Ų20097.1 Ų97.199%0.98552%0.524SS*.  0-36.30-75173.2107.500112.7E3 N4M1-E3 PolarHBondContact O-N 3.36Å; M1-N4 PolarHBondContact O-N 3.28Å
2N53.9Low73.9Confident141 Ų14192.3 Ų92.375%0.75450%0.502SS*.Hα-helixtrans-59.8-40.4-177.9-76.519.4000115.4
3E61.3Low74.8Confident152 Ų15292.9 Ų92.971%0.7151%0.51SS*.Hα-helixtrans-73.4-27.3-178.8-67.3-88.2139.200113.1M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.36Å; E3-L5 VanDerWaalsContact C-N 3.3Å; E3-L5 PolarHBondContact O-N 3.35Å; E3-F6 PolarHBondContact O-N 3.41Å; E3-A7 PolarHBondContact O-N 3.14Å; E3-A7 VanDerWaalsContact O-N 3.15Å
4N74.2Confident75.6Confident115 Ų11594.6 Ų94.662%0.61552%0.516SS*.Hα-helixtrans-70-28.5-172.5-66.15.7000112.5M1 F6M1-N4 PolarHBondContact O-N 3.28Å; N4-F6 VanDerWaalsContact C-N 3.34Å
5L74.7Confident76.2Confident45 Ų4599.8 Ų99.824%0.23654%0.542CS..Hα-helixtrans-68.8-35.3177.8-71.3172.8000112.1E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.3Å; E3-L5 PolarHBondContact O-N 3.35Å; L5-H172 VanDerWaalsContact CD2-CE1 3.44Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.29Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.39Å; L5-L173 HydrophobicContact CD1-CD2 4.22Å; L5-L173 HydrophobicContact CD2-CD2 4.31Å
6F80.8Confident76.6Confident118 Ų11898.1 Ų98.152%0.51856%0.555SS.*Hα-helixtrans-92.9-9.1-177.2-66.7-75.4000113.6E3 N4 S8 F9 I10 L169E3-F6 PolarHBondContact O-N 3.41Å; N4-F6 VanDerWaalsContact C-N 3.34Å; F6-S8 PolarHBondContact O-N 2.98Å; F6-S8 VanDerWaalsContact O-N 3.15Å; F6-F9 HydrophobicContact CD1-CD2 4.02Å; F6-F9 HydrophobicContact CD1-CE2 4.41Å; F6-F9 PolarHBondContact O-N 3.36Å; F6-I10 PolarHBondContact O-N 3.01Å; F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.16Å; F6-L169 HydrophobicContact CE1-CD2 4.06Å; F6-L169 HydrophobicContact CZ-CD2 4.49Å
7A78.7Confident77Confident55 Ų5599.7 Ų99.746%0.45556%0.561SS.*G310 helixtrans-55.7-32.7-179.500000113.3E3 F9 I10E3-A7 PolarHBondContact O-N 3.14Å; E3-A7 VanDerWaalsContact O-N 3.15Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.41Å; A7-I10 PolarHBondContact O-N 3.46Å
8S78.3Confident77.4Confident56 Ų5698.5 Ų98.539%0.39256%0.558SS.*G310 helixtrans-69.2-20.4176.6570000114.1F6 F92F6-S8 PolarHBondContact O-N 2.98Å; F6-S8 VanDerWaalsContact O-N 3.15Å; S8-F92 WeakPolarHBondContact O-CD2 3.34Å
9F81.2Confident77.8Confident25 Ų2594.4 Ų94.411%0.1154%0.537CS..G310 helixtrans-93.4-10.1178.3-58.8-71.2000113F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 HydrophobicContact CD1-CD2 4.02Å; F6-F9 HydrophobicContact CD1-CE2 4.41Å; F6-F9 PolarHBondContact O-N 3.36Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.41Å; F9-A11 PolarHBondContact O-N 3.16Å; F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; F9-Q97 PolarHBondContact O-NE2 2.93Å; F9-T165 HydrophobicContact CD1-CG2 4.39Å; F9-T165 HydrophobicContact CE1-CG2 4.07Å; F9-H168 HydrophobicContact CE1-CB 4.15Å; F9-H168 HydrophobicContact CZ-CB 3.84Å; F9-L169 HydrophobicContact CE2-CD1 4.49Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.78Å; F9-L169 HydrophobicContact CZ-CD2 4.31Å; F9-L169 HydrophobicContact CZ-CG 3.94Å
10I83.6Confident78.1Confident109 Ų10990.6 Ų90.656%0.55952%0.518SS*.SBendtrans-69.9129.2178-58.8175.2000108.4F6 A7 P12F6-I10 PolarHBondContact O-N 3.01Å; A7-I10 PolarHBondContact O-N 3.46Å; I10-P12 WeakPolarHBondContact O-CD 3.4Å
11A82Confident78.4Confident52 Ų5290.2 Ų90.243%0.4352%0.517SS..PPolyproline II helixtrans-59.3121.6179.900000110.3F9 T13 F92F9-A11 PolarHBondContact O-N 3.16Å; A11-T13 PolarHBondContact O-N 3.08Å; A11-F92 HydrophobicContact CB-CZ 4.44Å
12P82.4Confident79.8Confident40 Ų4086.7 Ų86.726%0.2650%0.502SS..PPolyproline II helixtrans-72.2126.5-174.227-33.4000110.5I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.3Å; P12-A19 WeakPolarHBondContact O-CB 3.31Å; P12-A19 PolarHBondContact O-N 3.46Å; P12-I23 HydrophobicContact CG-CD1 3.62Å; P12-F92 HydrophobicContact CG-CB 4.36Å; P12-F92 HydrophobicContact CG-CD1 4.15Å; P12-F92 HydrophobicContact CG-CG 4.08Å
13T85.9Confident81.4Confident100 Ų10082.2 Ų82.261%0.61348%0.477SS*.EExtended strand (participates in β ladder)trans-116.9120.6171560000109.5A11 L17A11-T13 PolarHBondContact O-N 3.08Å; T13-L17 CarbonylContact C-O 3.55Å; T13-L17 VanDerWaalsContact CA-O 3.27Å; T13-L17 WeakPolarHBondContact CA-O 3.48Å
14I85.9Confident82.6Confident116 Ų11677.4 Ų77.460%0.59546%0.456SS*.EExtended strand (participates in β ladder)trans-106.6123.2175.3-62.4172000107.1G16 L17 A19I14-G16 PolarHBondContact O-N 3.28Å; I14-G16 VanDerWaalsContact O-N 3.14Å; I14-L17 PolarHBondContact N-O 2.95Å; I14-L17 PolarHBondContact O-N 3.45Å; I14-A19 HydrophobicContact CD1-CB 3.91Å; I14-A19 HydrophobicContact CG1-CB 3.98Å
15L83.9Confident83.2Confident173 Ų17377.5 Ų77.591%0.90646%0.456SS*.THydrogen-bonded Turntrans53.133-179-94.2110.2000114.1L17L15-L17 PolarHBondContact O-N 3.06Å
16G83.2Confident83.8Confident72 Ų7279.6 Ų79.674%0.74246%0.463SS*.THydrogen-bonded Turntrans77.9-1.4-17800000115I14I14-G16 PolarHBondContact O-N 3.28Å; I14-G16 VanDerWaalsContact O-N 3.14Å
17L83.2Confident84.1Confident126 Ų12674 Ų7466%0.6644%0.439SS*.EExtended strand (participates in β ladder)trans-92.4139.4171.1-67.3168.7000110.7T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.55Å; T13-L17 VanDerWaalsContact CA-O 3.27Å; T13-L17 WeakPolarHBondContact CA-O 3.48Å; I14-L17 PolarHBondContact N-O 2.95Å; I14-L17 PolarHBondContact O-N 3.45Å; L15-L17 PolarHBondContact O-N 3.06Å; L17-A19 PolarHBondContact O-N 3.06Å
18P84.3Confident84.3Confident78 Ų7874.7 Ų74.751%0.50644%0.439SS..EExtended strand (participates in β ladder)trans-71.4102.3177.929.3-33.2000110.3A20 V21P18-A20 PolarHBondContact O-N 3.48Å; P18-V21 HydrophobicContact CB-CG2 4.48Å; P18-V21 HydrophobicContact CG-CG2 4.18Å; P18-V21 PolarHBondContact O-N 2.83Å
19A84.8Confident84.8Confident20 Ų2078.5 Ų78.517%0.16545%0.454CS..THydrogen-bonded Turntrans-68.3-16.1176.500000112.2P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.3Å; P12-A19 WeakPolarHBondContact O-CB 3.31Å; P12-A19 PolarHBondContact O-N 3.46Å; I14-A19 HydrophobicContact CD1-CB 3.91Å; I14-A19 HydrophobicContact CG1-CB 3.98Å; L17-A19 PolarHBondContact O-N 3.06Å; A19-V21 PolarHBondContact O-N 3.25Å; A19-L22 PolarHBondContact O-N 3.28Å; A19-L22 VanDerWaalsContact O-N 3.11Å; A19-I23 PolarHBondContact O-N 2.95Å
20A84.6Confident85Confident19 Ų1981 Ų8116%0.15747%0.468CS..Hα-helixtrans-52.7-34.8172.300000113.1P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.48Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.48Å; A20-I23 PolarHBondContact O-N 3.41Å; A20-I24 WeakPolarHBondContact O-CD1 3.22Å; A20-I24 VanDerWaalsContact O-CG1 3.25Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.2Å; A20-F92 HydrophobicContact CB-CE1 4.35Å
21V84.5Confident85.2Confident82 Ų8278.4 Ų78.450%0.49746%0.455SS..Hα-helixtrans-63.8-41.8179.3179.60000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.48Å; P18-V21 HydrophobicContact CG-CG2 4.18Å; P18-V21 PolarHBondContact O-N 2.83Å; A19-V21 PolarHBondContact O-N 3.25Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.3Å; V21-I24 PolarHBondContact O-N 3.31Å; V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 2.94Å; V21-L25 PolarHBondContact O-N 3.04Å; V21-L25 VanDerWaalsContact O-N 3.09Å
22L85.1Confident85.4Confident127 Ų12778.8 Ų78.867%0.66545%0.453SS*.Hα-helixtrans-66-38.8178.7-169.3145.5000111.1A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.28Å; A19-L22 VanDerWaalsContact O-N 3.11Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.48Å; L22-L25 PolarHBondContact O-N 3.48Å; L22-F26 PolarHBondContact O-N 3.13Å
23I86.3Confident85.6Confident46 Ų4683.5 Ų83.524%0.23648%0.481CS..Hα-helixtrans-66.1-40.5177.1-62.3161.8000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.62Å; A19-I23 PolarHBondContact O-N 2.95Å; A20-I23 PolarHBondContact O-N 3.41Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.3Å; I23-L25 VanDerWaalsContact C-N 3.3Å; I23-L25 PolarHBondContact O-N 3.39Å; I23-F26 WeakPolarHBondContact O-CB 3.5Å; I23-F26 PolarHBondContact O-N 3.15Å; I23-P27 WeakPolarHBondContact O-CD 3.14Å; I23-F92 HydrophobicContact CD1-CB 4.09Å; I23-F92 HydrophobicContact CD1-CD1 3.91Å; I23-F92 HydrophobicContact CD1-CG 4.38Å; I23-F92 HydrophobicContact CG2-CD1 4.43Å; I23-F92 WeakPolarHBondContact CG2-O 2.97Å
24I87.1Confident85.6Confident52 Ų5280.4 Ų80.427%0.26746%0.464SS..Hα-helixtrans-65.4-33.1176.5-69.4163.2000112A20 V21 F26 P27 F78 P94 M100A20-I24 WeakPolarHBondContact O-CD1 3.22Å; A20-I24 VanDerWaalsContact O-CG1 3.25Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.2Å; V21-I24 PolarHBondContact O-N 3.31Å; I24-F26 VanDerWaalsContact C-N 3.33Å; I24-P27 WeakPolarHBondContact O-CD 3.26Å; I24-F78 HydrophobicContact CG2-CZ 4.41Å; I24-P94 HydrophobicContact CD1-CB 4.28Å; I24-P94 HydrophobicContact CG1-CB 3.69Å; I24-P94 HydrophobicContact CG1-CG 4.03Å; I24-M100 HydrophobicContact CD1-CE 4.2Å; I24-M100 HydrophobicContact CD1-SD 3.63Å; I24-M100 HydrophobicContact CG1-CE 3.99Å; I24-M100 HydrophobicContact CG1-SD 3.94Å; I24-M100 HydrophobicContact CG2-CE 3.93Å
25L86.3Confident85.6Confident117 Ų11785.1 Ų85.161%0.61348%0.48SS*.Hα-helixtrans-81.3-10.1178.8-71.5171.8000113.9V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 2.94Å; V21-L25 PolarHBondContact O-N 3.04Å; V21-L25 VanDerWaalsContact O-N 3.09Å; L22-L25 PolarHBondContact O-N 3.48Å; I23-L25 VanDerWaalsContact C-N 3.3Å; I23-L25 PolarHBondContact O-N 3.39Å; L25-P28 WeakPolarHBondContact O-CD 3.46Å
26F87.4Confident85.7Confident88 Ų8885.5 Ų85.539%0.38647%0.47SS..Hα-helixtrans-70.1-43.8-177.3-169.5-94.5000114.9L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.13Å; I23-F26 WeakPolarHBondContact O-CB 3.5Å; I23-F26 PolarHBondContact O-N 3.15Å; I24-F26 VanDerWaalsContact C-N 3.33Å; F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.26Å; F26-L29 PolarHBondContact O-N 3.23Å; F26-L30 HydrophobicContact CD1-CD1 4.16Å; F26-L30 HydrophobicContact CD1-CG 4.39Å; F26-L30 HydrophobicContact CE1-CD1 3.95Å; F26-L30 HydrophobicContact CE1-CD2 4Å; F26-L30 HydrophobicContact CE1-CG 4.09Å; F26-L30 HydrophobicContact CZ-CD2 4.35Å; F26-L85 HydrophobicContact CD1-CD1 4.31Å; F26-L85 HydrophobicContact CD1-CD2 3.42Å; F26-L85 VanDerWaalsContact CD1-CD2 3.42Å; F26-L85 HydrophobicContact CD1-CG 4.49Å; F26-L85 HydrophobicContact CE1-CD1 4.05Å; F26-L85 HydrophobicContact CE1-CD2 3.88Å; F26-L85 HydrophobicContact CG-CD2 4.44Å
27P87.3Confident85.6Confident2 Ų290.6 Ų90.61%0.01348%0.48CS..Hα-helixtrans-57.8-42-178.4-15.522.5000115.1I23 I24 L29 L30 T81 T82I23-P27 WeakPolarHBondContact O-CD 3.14Å; I24-P27 WeakPolarHBondContact O-CD 3.26Å; P27-L29 PolarHBondContact O-N 3.32Å; P27-L30 WeakPolarHBondContact O-CB 3.25Å; P27-L30 PolarHBondContact O-N 2.86Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P27-T81 WeakPolarHBondContact CB-OG1 3.5Å; P27-T82 HydrophobicContact CB-CG2 4.27Å; P27-T82 HydrophobicContact CG-CG2 3.54Å
28P84Confident85.7Confident69 Ų6992 Ų9245%0.44849%0.487SS..Hα-helixtrans-56.2-32.8173.7-26.933.5000114.1L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.46Å; P28-L30 PolarHBondContact O-N 3.42Å; P28-I31 PolarHBondContact O-N 3.07Å
29L87.4Confident86Confident136 Ų13689.5 Ų89.571%0.71247%0.469SS*.Hα-helixtrans-68-24.7179.3-171.864.9000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.26Å; F26-L29 PolarHBondContact O-N 3.23Å; P27-L29 PolarHBondContact O-N 3.32Å; L29-I31 PolarHBondContact O-N 3.43Å
30L86.7Confident86.2Confident78 Ų7894 Ų9441%0.40849%0.49SS..THydrogen-bonded Turntrans-74.7-5.8178.3-62.9171.5000113.5F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.16Å; F26-L30 HydrophobicContact CD1-CG 4.39Å; F26-L30 HydrophobicContact CE1-CD1 3.95Å; F26-L30 HydrophobicContact CE1-CD2 4Å; F26-L30 HydrophobicContact CE1-CG 4.09Å; F26-L30 HydrophobicContact CZ-CD2 4.35Å; P27-L30 WeakPolarHBondContact O-CB 3.25Å; P27-L30 PolarHBondContact O-N 2.86Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P28-L30 PolarHBondContact O-N 3.42Å; L30-P32 VanDerWaalsContact C-CD 3.43Å; L30-P32 WeakPolarHBondContact O-CD 3.43Å; L30-Q46 PolarHBondContact O-NE2 3.33Å; L30-L85 HydrophobicContact CD1-CD1 3.6Å
31I87.5Confident86.4Confident54 Ų54103.2 Ų103.228%0.27752%0.521SS..SBendtrans-109.383.1-177.4-52.2168.7000108.6P28 L29 T33 I77P28-I31 PolarHBondContact O-N 3.07Å; L29-I31 PolarHBondContact O-N 3.43Å; I31-T33 PolarHBondContact O-N 2.99Å; I31-I77 HydrophobicContact CD1-CG2 3.31Å; I31-I77 HydrophobicContact CG1-CG2 4.49Å
32P85.9Confident86.7Confident59 Ų59103.6 Ų103.638%0.38352%0.52SS..  trans-68.9133.8178.727.1-33.7000111.2L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.43Å; L30-P32 WeakPolarHBondContact O-CD 3.43Å; P32-L42 HydrophobicContact CG-CD2 3.68Å; P32-I43 HydrophobicContact CB-CD1 4.38Å; P32-I43 HydrophobicContact CB-CG1 4.45Å; P32-I43 HydrophobicContact CG-CD1 4.4Å; P32-I43 HydrophobicContact CG-CG1 3.97Å
33T86.4Confident87Confident139 Ų13998.5 Ų98.585%0.85349%0.493SS*.  trans-97.8135.8169.960.20000110.2I31I31-T33 PolarHBondContact O-N 2.99Å
34S86.8Confident87.2Confident36 Ų3699.3 Ų99.325%0.25250%0.5SS..  trans-115.5144.7171.31720000111Y36 N39S34-Y36 PolarHBondContact OG-N 3.37Å; S34-Y36 VanDerWaalsContact OG-N 3.11Å; S34-N39 WeakPolarHBondContact CB-OD1 3.38Å; S34-N39 PolarHBondContact OG-OD1 2.95Å
35K85.3Confident87.4Confident214 Ų214100.6 Ų100.693%0.9351%0.51SS*.  trans-86.3-14.3174.3-62.9-178.9-178.5178.30112.9
36Y86.6Confident87.7Confident181 Ų18197 Ų9771%0.7149%0.491SS*.SBendtrans-81.5153.4-175-59.7-73.3000112.1S34 N39S34-Y36 PolarHBondContact OG-N 3.37Å; S34-Y36 VanDerWaalsContact OG-N 3.11Å; Y36-N39 PolarHBondContact O-ND2 3.13Å; Y36-N39 PolarHBondContact O-OD1 2.96Å
37L79.6Confident87.8Confident180 Ų18097.4 Ų97.494%0.94249%0.493SS*.SBendtrans-72.1-39.5176.7-169.675.1000111.5
38I86.8Confident88.1Confident156 Ų156105 Ų10580%0.852%0.522SS*.SBendtrans-101.4113.2174.7-59.2169.3000107.3
39N89.5Confident88.4Confident24 Ų24106.3 Ų106.313%0.12853%0.525CS..  trans-107.9167.5-174.1-72.8-23000112.5S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.38Å; S34-N39 PolarHBondContact OG-OD1 2.95Å; Y36-N39 PolarHBondContact O-ND2 3.13Å; Y36-N39 PolarHBondContact O-OD1 2.96Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.81Å; N39-T44 HydrophobicContact CB-CG2 4.13Å; N39-Q47 PolarHBondContact ND2-NE2 2.91Å
40N89.4Confident88.6Confident115 Ų115102.8 Ų102.862%0.61551%0.506SS*.  trans-62.5153171.5-166.11000111L42 I43 T44N40-L42 PolarHBondContact O-N 2.99Å; N40-L42 VanDerWaalsContact O-N 3.13Å; N40-I43 PolarHBondContact O-N 3.44Å; N40-T44 PolarHBondContact O-N 3.15Å
41R89.6Confident88.8Confident213 Ų213106.3 Ų106.380%0.80452%0.518SS*.Hα-helixtrans-52.2-37.2-178.3-64.8-177.3-179.4-179.20.3113.1T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.2Å; R41-T44 PolarHBondContact O-N 3.47Å; R41-T44 PolarHBondContact O-OG1 3Å; R41-T45 WeakPolarHBondContact O-CG2 3.35Å; R41-T45 PolarHBondContact O-N 3.45Å; R41-T45 VanDerWaalsContact O-N 3.08Å; R41-T45 PolarHBondContact O-OG1 3.25Å
42L89.8Confident89Confident90 Ų90106.8 Ų106.847%0.47152%0.521SS..Hα-helixtrans-66.9-41.5178.3-173.4154.2000111.8P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.68Å; N40-L42 PolarHBondContact O-N 2.99Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-T45 PolarHBondContact O-OG1 3.16Å; L42-Q46 VanDerWaalsContact CD2-CD 3.43Å; L42-Q46 HydrophobicContact CD2-CG 4.24Å; L42-Q46 WeakPolarHBondContact O-CB 3.13Å; L42-Q46 VanDerWaalsContact O-CG 3.26Å; L42-Q46 WeakPolarHBondContact O-CG 3.4Å; L42-Q46 PolarHBondContact O-N 2.97Å
43I91.4Very high89.1Confident19 Ų19105.7 Ų105.710%0.09751%0.513CS..Hα-helixtrans-71.4-36.1179.5-61.3174.3000110P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.38Å; P32-I43 HydrophobicContact CB-CG1 4.45Å; P32-I43 HydrophobicContact CG-CD1 4.4Å; P32-I43 HydrophobicContact CG-CG1 3.97Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.81Å; N40-I43 PolarHBondContact O-N 3.44Å; I43-Q46 PolarHBondContact O-N 2.92Å; I43-Q47 HydrophobicContact CG2-CG 4.26Å; I43-Q47 WeakPolarHBondContact O-CB 3.31Å; I43-Q47 VanDerWaalsContact O-CG 3.23Å; I43-Q47 WeakPolarHBondContact O-CG 3.34Å; I43-Q47 PolarHBondContact O-N 3.26Å
44T91.3Very high89.2Confident63 Ų63100.4 Ų100.439%0.38748%0.482SS..Hα-helixtrans-67.6-40.4177.460.20000112.1N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.13Å; N40-T44 PolarHBondContact O-N 3.15Å; R41-T44 WeakPolarHBondContact CA-OG1 3.2Å; R41-T44 PolarHBondContact O-N 3.47Å; R41-T44 PolarHBondContact O-OG1 3Å; T44-Q47 PolarHBondContact O-N 2.84Å; T44-W48 WeakPolarHBondContact O-CB 3.32Å; T44-W48 PolarHBondContact O-N 3.09Å
45T91.4Very high89.2Confident80 Ų80105.8 Ų105.849%0.49150%0.501SS..Hα-helixtrans-66.8-40.1174.556.90000111.8R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.35Å; R41-T45 PolarHBondContact O-N 3.45Å; R41-T45 VanDerWaalsContact O-N 3.08Å; R41-T45 PolarHBondContact O-OG1 3.25Å; L42-T45 PolarHBondContact O-OG1 3.16Å; T45-W48 PolarHBondContact O-N 3.29Å; T45-L49 WeakPolarHBondContact O-CG 3.26Å; T45-L49 PolarHBondContact O-N 3.34Å
46Q91.1Very high89.3Confident42 Ų42101.6 Ų101.620%0.19648%0.484CS..Hα-helixtrans-60.3-50.3173.3-76.2177.2-19.100111.9L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.33Å; L42-Q46 VanDerWaalsContact CD2-CD 3.43Å; L42-Q46 HydrophobicContact CD2-CG 4.24Å; L42-Q46 WeakPolarHBondContact O-CB 3.13Å; L42-Q46 VanDerWaalsContact O-CG 3.26Å; L42-Q46 WeakPolarHBondContact O-CG 3.4Å; L42-Q46 PolarHBondContact O-N 2.97Å; I43-Q46 PolarHBondContact O-N 2.92Å; Q46-W48 VanDerWaalsContact C-N 3.27Å; Q46-W48 PolarHBondContact O-N 3.46Å; Q46-L49 PolarHBondContact O-N 3.42Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.44Å; Q46-I50 PolarHBondContact O-N 2.97Å
47Q90.4Very high89.2Confident95 Ų9593.6 Ų93.644%0.44445%0.454SS..Hα-helixtrans-60.6-37.8177.9-74.3175.3-14.500112.1N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 2.91Å; I43-Q47 HydrophobicContact CG2-CG 4.26Å; I43-Q47 WeakPolarHBondContact O-CB 3.31Å; I43-Q47 VanDerWaalsContact O-CG 3.23Å; I43-Q47 WeakPolarHBondContact O-CG 3.34Å; I43-Q47 PolarHBondContact O-N 3.26Å; T44-Q47 PolarHBondContact O-N 2.84Å; Q47-K51 WeakPolarHBondContact O-CB 3.25Å; Q47-K51 PolarHBondContact O-N 3.28Å
48W92.4Very high89.5Confident163 Ų16386 Ų8662%0.61741%0.414SS*.Hα-helixtrans-65-45175.7-177.782.9000112.1T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.32Å; T44-W48 PolarHBondContact O-N 3.09Å; T45-W48 PolarHBondContact O-N 3.29Å; Q46-W48 VanDerWaalsContact C-N 3.27Å; Q46-W48 PolarHBondContact O-N 3.46Å; W48-K51 PolarHBondContact O-N 3.32Å; W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.35Å; W48-L52 HydrophobicContact CE3-CD1 3.71Å; W48-L52 HydrophobicContact CH2-CD1 3.38Å; W48-L52 HydrophobicContact CZ2-CD1 3.38Å; W48-L52 HydrophobicContact CZ2-CG 4.4Å; W48-L52 HydrophobicContact CZ3-CD1 3.54Å; W48-L52 WeakPolarHBondContact O-CG 3.34Å; W48-L52 PolarHBondContact O-N 3.3Å
49L90.7Very high89.3Confident96 Ų9683.3 Ų83.350%0.50341%0.405SS..Hα-helixtrans-61.5-44.1175.2-76.2169.3000112.2T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CG 3.26Å; T45-L49 PolarHBondContact O-N 3.34Å; Q46-L49 PolarHBondContact O-N 3.42Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 2.93Å; L49-L52 PolarHBondContact O-N 2.84Å; L49-T53 WeakPolarHBondContact O-CG2 3.41Å; L49-T53 PolarHBondContact O-N 3.44Å; L49-T53 PolarHBondContact O-OG1 3.47Å
50I91.3Very high88.8Confident61 Ų6186 Ų8631%0.31342%0.422SS..Hα-helixtrans-61.8-43.1177.1-66.8170.9000110.6Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.44Å; Q46-I50 PolarHBondContact O-N 2.97Å; I50-T53 WeakPolarHBondContact CA-OG1 3.49Å; I50-T53 PolarHBondContact O-OG1 2.87Å; I50-T53 VanDerWaalsContact O-OG1 3.04Å; I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3Å; I50-S54 PolarHBondContact O-N 3.1Å; I50-S54 PolarHBondContact O-OG 3.47Å; I50-V73 HydrophobicContact CG2-CG1 3.85Å; I50-I77 HydrophobicContact CD1-CD1 3.98Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å
51K91Very high88.4Confident152 Ų15280.8 Ų80.866%0.66139%0.394SS*.Hα-helixtrans-64.6-39.9177.6-174.2176.2179.5178.60112.5Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.25Å; Q47-K51 PolarHBondContact O-N 3.28Å; W48-K51 PolarHBondContact O-N 3.32Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 2.93Å; K51-S54 WeakPolarHBondContact CA-OG 3.21Å; K51-S54 PolarHBondContact O-OG 3.33Å; K51-S54 VanDerWaalsContact O-OG 3.05Å; K51-K55 WeakPolarHBondContact O-CB 3.41Å; K51-K55 PolarHBondContact O-N 2.99Å
52L91.4Very high87.9Confident65 Ų6575.6 Ų75.634%0.3438%0.382SS..Hα-helixtrans-67.4-50.8177.7-75.6177.7000112.2W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.35Å; W48-L52 HydrophobicContact CE3-CD1 3.71Å; W48-L52 HydrophobicContact CH2-CD1 3.38Å; W48-L52 HydrophobicContact CZ2-CD1 3.38Å; W48-L52 HydrophobicContact CZ2-CG 4.4Å; W48-L52 HydrophobicContact CZ3-CD1 3.54Å; W48-L52 WeakPolarHBondContact O-CG 3.34Å; W48-L52 PolarHBondContact O-N 3.3Å; L49-L52 PolarHBondContact O-N 2.84Å; L52-K55 PolarHBondContact O-N 3.13Å; L52-Q56 WeakPolarHBondContact O-CG 3.34Å; L52-Q56 PolarHBondContact O-N 3.13Å
53T88.1Confident87.4Confident35 Ų3576.9 Ų76.922%0.21539%0.394CS..Hα-helixtrans-61.2-47.9-178.948.90000111.2L49 I50 K55 Q56 M57L49-T53 WeakPolarHBondContact O-CG2 3.41Å; L49-T53 PolarHBondContact O-N 3.44Å; L49-T53 PolarHBondContact O-OG1 3.47Å; I50-T53 WeakPolarHBondContact CA-OG1 3.49Å; I50-T53 PolarHBondContact O-OG1 2.87Å; I50-T53 VanDerWaalsContact O-OG1 3.04Å; T53-K55 PolarHBondContact O-N 3.01Å; T53-Q56 PolarHBondContact O-N 3.42Å; T53-M57 WeakPolarHBondContact O-CG 3.26Å; T53-M57 PolarHBondContact O-N 3.5Å
54S88.5Confident86.7Confident29 Ų2981.8 Ų81.820%0.20341%0.414CS..Hα-helixtrans-58.5-46174.457.20000112.2I50 K51 Q56 M57 M58I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3Å; I50-S54 PolarHBondContact O-N 3.1Å; I50-S54 PolarHBondContact O-OG 3.47Å; K51-S54 WeakPolarHBondContact CA-OG 3.21Å; K51-S54 PolarHBondContact O-OG 3.33Å; K51-S54 VanDerWaalsContact O-OG 3.05Å; S54-Q56 PolarHBondContact O-N 3.15Å; S54-M57 PolarHBondContact O-N 3.26Å; S54-M58 VanDerWaalsContact O-CB 3.29Å; S54-M58 WeakPolarHBondContact O-CB 3.18Å; S54-M58 PolarHBondContact O-N 3Å
55K88.7Confident86.1Confident149 Ų14978.8 Ų78.865%0.64840%0.396SS*.Hα-helixtrans-60.6-45.2178.9-176.2179178-175.60111.7K51 L52 T53 T59K51-K55 WeakPolarHBondContact O-CB 3.41Å; K51-K55 PolarHBondContact O-N 2.99Å; L52-K55 PolarHBondContact O-N 3.13Å; T53-K55 PolarHBondContact O-N 3.01Å; K55-T59 WeakPolarHBondContact O-CG2 3.31Å; K55-T59 PolarHBondContact O-N 3.42Å
56Q86.4Confident85.7Confident126 Ų12681.3 Ų81.359%0.58940%0.396SS*.Hα-helixtrans-67.2-41.8-179.3-75.2-179.8-30.900112.6L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.34Å; L52-Q56 PolarHBondContact O-N 3.13Å; T53-Q56 PolarHBondContact O-N 3.42Å; S54-Q56 PolarHBondContact O-N 3.15Å; Q56-T59 PolarHBondContact O-OG1 3.17Å
57M84.4Confident85.4Confident13 Ų1384.2 Ų84.26%0.06442%0.417CS..Hα-helixtrans-70.5-36.7178-71.2-176.6170.900112.2T53 S54 T59 T60 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.26Å; T53-M57 PolarHBondContact O-N 3.5Å; S54-M57 PolarHBondContact O-N 3.26Å; M57-T59 VanDerWaalsContact C-N 3.35Å; M57-T59 PolarHBondContact O-N 3.12Å; M57-T60 PolarHBondContact O-OG1 3.43Å; M57-H61 PolarHBondContact O-CD2 3.12Å; M57-L72 HydrophobicContact SD-CB 4.45Å; M57-I76 HydrophobicContact CE-CD1 3.64Å; M57-Y212 HydrophobicContact CE-CD2 4.41Å; M57-T215 WeakPolarHBondContact CE-OG1 3.44Å
58M85.3Confident85.2Confident21 Ų2182.2 Ų82.210%0.10341%0.406CS..Hα-helixtrans-80.6-11.4-173.6-132.161.849.400115S54 T60 H61 R66 S69S54-M58 VanDerWaalsContact O-CB 3.29Å; S54-M58 WeakPolarHBondContact O-CB 3.18Å; S54-M58 PolarHBondContact O-N 3Å; M58-T60 PolarHBondContact O-N 3.3Å; M58-H61 PolarHBondContact O-N 2.81Å; M58-R66 HydrophobicContact CG-CB 4.1Å; M58-R66 HydrophobicContact CG-CG 3.61Å; M58-R66 HydrophobicContact SD-CB 4.13Å; M58-R66 HydrophobicContact SD-CG 4.09Å; M58-S69 WeakPolarHBondContact CE-OG 3.43Å
59T84.1Confident85Confident99 Ų9976 Ų7661%0.60739%0.387SS*.THydrogen-bonded Turntrans-64.1-31.8-179.1540000112.1K55 Q56 M57K55-T59 WeakPolarHBondContact O-CG2 3.31Å; K55-T59 PolarHBondContact O-N 3.42Å; Q56-T59 PolarHBondContact O-OG1 3.17Å; M57-T59 VanDerWaalsContact C-N 3.35Å; M57-T59 PolarHBondContact O-N 3.12Å
60T77.8Confident85Confident81 Ų8178.5 Ų78.550%0.49740%0.4SS..THydrogen-bonded Turntrans-84.9-10-177.9580000113.2M57 M58 H223M57-T60 PolarHBondContact O-OG1 3.43Å; M58-T60 PolarHBondContact O-N 3.3Å; T60-H223 PolarHBondContact O-CE1 3.42Å; T60-H223 PolarHBondContact O-ND1 3.35Å
61H81.1Confident84.9Confident5 Ų578 Ų782%0.02340%0.397CS..  trans-104.1138.5-171.4-76.2-69000114.9M57 M58 R66 S219M57-H61 PolarHBondContact O-CD2 3.12Å; M58-H61 PolarHBondContact O-N 2.81Å; H61-R66 HydrophobicContact CB-CG 4.41Å; H61-R66 PolarHBondContact O-NE 2.93Å; H61-S219 PolarHBondContact CE1-O 3.33Å; H61-S219 WeakPolarHBondContact NE2-CB 3.18Å; H61-S219 PolarHBondContact NE2-O 2.78Å
62N79Confident84.9Confident104 Ų10470.8 Ų70.856%0.55637%0.366SS*.  trans-68.8165.1166.6-78.7-21.7000112.3K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.26Å; N62-K64 PolarHBondContact O-N 3.48Å; N62-K64 VanDerWaalsContact O-N 3.12Å; N62-G65 WeakPolarHBondContact O-CA 3.39Å; N62-G65 PolarHBondContact O-N 3.16Å; N62-R66 WeakPolarHBondContact O-CG 3.31Å; N62-R66 PolarHBondContact O-N 3.24Å
63T79.6Confident84.9Confident116 Ų11668.5 Ų68.571%0.71236%0.355SS*.THydrogen-bonded Turntrans-52-37.6-174.954.20000114.3R66T63-R66 PolarHBondContact O-N 3.09Å
64K77.9Confident85Confident123 Ų12370.1 Ų70.154%0.53537%0.367SS..THydrogen-bonded Turntrans-67-44.1174.6-69.4-176.4-1781770112.4N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.26Å; N62-K64 PolarHBondContact O-N 3.48Å; N62-K64 VanDerWaalsContact O-N 3.12Å; K64-R66 VanDerWaalsContact C-N 3.26Å; K64-R66 PolarHBondContact O-N 3.46Å; K64-T67 WeakPolarHBondContact O-CB 3.33Å; K64-T67 PolarHBondContact O-N 3.3Å; K64-T67 PolarHBondContact O-OG1 3.14Å
65G77.6Confident85.1Confident0 Ų069.4 Ų69.40%036%0.361CS..G310 helixtrans-63.6-31.6175.900000112.7N62 T67 W68N62-G65 WeakPolarHBondContact O-CA 3.39Å; N62-G65 PolarHBondContact O-N 3.16Å; G65-T67 PolarHBondContact O-N 2.71Å; G65-T67 VanDerWaalsContact O-N 3.14Å; G65-W68 PolarHBondContact O-N 2.95Å
66R83.1Confident85.2Confident132 Ų13263.1 Ų63.150%0.49833%0.334SS..G310 helixtrans-62.7-21.4176.7-56.6-158.5175.9163.9-3.5114.2M58 H61 N62 T63 K64 W68 S69M58-R66 HydrophobicContact CG-CB 4.1Å; M58-R66 HydrophobicContact CG-CG 3.61Å; M58-R66 HydrophobicContact SD-CB 4.13Å; M58-R66 HydrophobicContact SD-CG 4.09Å; H61-R66 HydrophobicContact CB-CG 4.41Å; H61-R66 PolarHBondContact O-NE 2.93Å; N62-R66 WeakPolarHBondContact O-CG 3.31Å; N62-R66 PolarHBondContact O-N 3.24Å; T63-R66 PolarHBondContact O-N 3.09Å; K64-R66 VanDerWaalsContact C-N 3.26Å; K64-R66 PolarHBondContact O-N 3.46Å; R66-W68 PolarHBondContact O-N 3.49Å; R66-S69 WeakPolarHBondContact O-CB 3.39Å; R66-S69 PolarHBondContact O-N 3.32Å; R66-S69 VanDerWaalsContact O-N 3.1Å
67T85.8Confident85.4Confident103 Ų10359 Ų5963%0.63232%0.316SS*.G310 helixtrans-63.8-25.7175.463.30000112.4K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.33Å; K64-T67 PolarHBondContact O-N 3.3Å; K64-T67 PolarHBondContact O-OG1 3.14Å; G65-T67 PolarHBondContact O-N 2.71Å; G65-T67 VanDerWaalsContact O-N 3.14Å; T67-S69 VanDerWaalsContact C-N 3.27Å; T67-S69 PolarHBondContact O-N 3.33Å
68W85.9Confident85.7Confident53 Ų5360.8 Ų60.820%0.20132%0.324CS..G310 helixtrans-84.82.2177.1-72.761.8000113.5G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 2.95Å; R66-W68 PolarHBondContact O-N 3.49Å; W68-L70 VanDerWaalsContact C-N 3.32Å; W68-L70 PolarHBondContact O-N 3.1Å; W68-M71 HydrophobicContact CD2-CE 4.34Å; W68-M71 HydrophobicContact CE3-CE 3.14Å; W68-M71 HydrophobicContact CE3-SD 3.56Å; W68-M71 VanDerWaalsContact CE3-SD 3.56Å; W68-M71 HydrophobicContact CH2-SD 4.39Å; W68-M71 HydrophobicContact CZ3-CE 3.36Å; W68-M71 HydrophobicContact CZ3-SD 3.44Å; W68-M71 WeakPolarHBondContact CZ3-SD 3.06Å; W68-M71 WeakPolarHBondContact O-CB 3.45Å; W68-M71 PolarHBondContact O-N 3.18Å; W68-M71 VanDerWaalsContact O-N 3.08Å; W68-L72 PolarHBondContact O-N 3.43Å; W68-M115 HydrophobicContact CZ2-SD 3.95Å; W68-M115 PolarHBondContact NE1-SD 3.07Å; W68-L222 HydrophobicContact CB-CD2 3.48Å; W68-L222 VanDerWaalsContact CB-CD2 3.48Å; W68-L222 HydrophobicContact CD2-CD1 3.88Å; W68-L222 HydrophobicContact CD2-CD2 4.21Å; W68-L222 HydrophobicContact CE3-CD1 4.2Å; W68-L222 HydrophobicContact CG-CD1 4.03Å; W68-L222 HydrophobicContact CG-CD2 3.65Å
69S87.1Confident85.9Confident33 Ų3359.8 Ų59.823%0.23132%0.319CS..Hα-helixtrans-51.2-49.8-179.4172.10000112.8M58 R66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact CE-OG 3.43Å; R66-S69 WeakPolarHBondContact O-CB 3.39Å; R66-S69 PolarHBondContact O-N 3.32Å; R66-S69 VanDerWaalsContact O-N 3.1Å; T67-S69 VanDerWaalsContact C-N 3.27Å; T67-S69 PolarHBondContact O-N 3.33Å; S69-M71 VanDerWaalsContact C-N 3.26Å; S69-M71 PolarHBondContact O-N 3.06Å; S69-L72 PolarHBondContact O-N 3.44Å; S69-V73 WeakPolarHBondContact O-CB 3.42Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.19Å; S69-V73 PolarHBondContact O-N 2.91Å
70L90.4Very high86.2Confident148 Ų14856.4 Ų56.478%0.77530%0.301SS*.Hα-helixtrans-57.2-44.1-179-170.491.8000111W68 S74W68-L70 VanDerWaalsContact C-N 3.32Å; W68-L70 PolarHBondContact O-N 3.1Å; L70-S74 WeakPolarHBondContact O-CB 3.34Å; L70-S74 PolarHBondContact O-N 3.37Å; L70-S74 PolarHBondContact O-OG 2.88Å
71M90.6Very high86.8Confident51 Ų5154.2 Ų54.225%0.25129%0.287SS..Hα-helixtrans-67-48.7-177.5-166.6-162.475.400111W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.34Å; W68-M71 HydrophobicContact CE3-CE 3.14Å; W68-M71 HydrophobicContact CE3-SD 3.56Å; W68-M71 VanDerWaalsContact CE3-SD 3.56Å; W68-M71 HydrophobicContact CH2-SD 4.39Å; W68-M71 HydrophobicContact CZ3-CE 3.36Å; W68-M71 HydrophobicContact CZ3-SD 3.44Å; W68-M71 WeakPolarHBondContact CZ3-SD 3.06Å; W68-M71 WeakPolarHBondContact O-CB 3.45Å; W68-M71 PolarHBondContact O-N 3.18Å; W68-M71 VanDerWaalsContact O-N 3.08Å; S69-M71 VanDerWaalsContact C-N 3.26Å; S69-M71 PolarHBondContact O-N 3.06Å; M71-V73 VanDerWaalsContact C-N 3.33Å; M71-V73 PolarHBondContact O-N 3.35Å; M71-S74 PolarHBondContact O-N 3.35Å; M71-S74 PolarHBondContact O-OG 3.06Å; M71-L75 VanDerWaalsContact O-CB 3.3Å; M71-L75 WeakPolarHBondContact O-CB 3.43Å; M71-L75 PolarHBondContact O-N 3.29Å; M71-L108 HydrophobicContact CE-CD2 3.29Å; M71-L108 HydrophobicContact CG-CD2 4.23Å; M71-L108 HydrophobicContact SD-CD2 3.4Å; M71-L108 WeakPolarHBondContact SD-CD2 3.32Å
72L89.7Confident87.2Confident1 Ų154.1 Ų54.11%0.00529%0.287CS..Hα-helixtrans-60.7-41.9178.3-68.4172.9000112.3M57 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.45Å; W68-L72 PolarHBondContact O-N 3.43Å; S69-L72 PolarHBondContact O-N 3.44Å; L72-L75 WeakPolarHBondContact O-CB 3.5Å; L72-L75 PolarHBondContact O-N 2.64Å; L72-I76 PolarHBondContact O-N 3.41Å; L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.84Å
73V91.1Very high87.7Confident17 Ų1749.3 Ų49.310%0.10326%0.261CS..Hα-helixtrans-67.8-42.2177.8172.80000111I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.85Å; S69-V73 WeakPolarHBondContact O-CB 3.42Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.19Å; S69-V73 PolarHBondContact O-N 2.91Å; M71-V73 VanDerWaalsContact C-N 3.33Å; M71-V73 PolarHBondContact O-N 3.35Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.14Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.2Å; V73-I77 HydrophobicContact CG1-CD1 3.74Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.47Å; V73-I77 WeakPolarHBondContact O-CG1 3.09Å; V73-I77 PolarHBondContact O-N 3.22Å
74S91.1Very high88.2Confident68 Ų6848.7 Ų48.748%0.47625%0.253SS..Hα-helixtrans-63.1-37.5175.870.10000112.1L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.34Å; L70-S74 PolarHBondContact O-N 3.37Å; L70-S74 PolarHBondContact O-OG 2.88Å; M71-S74 PolarHBondContact O-N 3.35Å; M71-S74 PolarHBondContact O-OG 3.06Å; S74-F78 VanDerWaalsContact O-CB 3.27Å; S74-F78 WeakPolarHBondContact O-CB 3.31Å; S74-F78 PolarHBondContact O-N 2.87Å
75L90.2Very high88.7Confident15 Ų1544.7 Ų44.78%0.07924%0.237CC..Hα-helixtrans-66.4-48.5-179.4-172.877.8000112.2M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.3Å; M71-L75 WeakPolarHBondContact O-CB 3.43Å; M71-L75 PolarHBondContact O-N 3.29Å; L72-L75 WeakPolarHBondContact O-CB 3.5Å; L72-L75 PolarHBondContact O-N 2.64Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.14Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 3.38Å; L75-F78 PolarHBondContact O-N 3.37Å; L75-I79 HydrophobicContact CD1-CD1 4.15Å; L75-I79 HydrophobicContact CG-CD1 3.93Å; L75-I79 WeakPolarHBondContact O-CG1 3.16Å; L75-I79 PolarHBondContact O-N 2.95Å; L75-L108 HydrophobicContact CD1-CD1 3.39Å; L75-L108 HydrophobicContact CD2-CD1 3.82Å; L75-L108 HydrophobicContact CG-CD1 4.25Å; L75-F214 HydrophobicContact CD1-CE1 4.15Å; L75-F214 HydrophobicContact CD2-CD1 3.85Å; L75-F214 HydrophobicContact CD2-CE1 3.79Å; L75-F214 HydrophobicContact CG-CD1 4.3Å; L75-F214 HydrophobicContact CG-CE1 4.19Å; L75-T215 HydrophobicContact CB-CG2 4.2Å; L75-T215 HydrophobicContact CD2-CG2 3.67Å; L75-T215 HydrophobicContact CG-CG2 3.93Å
76I90.8Very high89Confident16 Ų1644.8 Ų44.88%0.08224%0.238CC..Hα-helixtrans-63.2-41.5-179.9-169.7168.1000110.7M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CD1 3.64Å; L72-I76 PolarHBondContact O-N 3.41Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.2Å; I76-A80 WeakPolarHBondContact O-CB 3.4Å; I76-A80 PolarHBondContact O-N 3.12Å; I76-A211 HydrophobicContact CG1-CB 4.48Å; I76-Y212 HydrophobicContact CD1-CD2 4.15Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.46Å; I76-T215 VanDerWaalsContact CB-CG2 3.46Å; I76-T215 HydrophobicContact CG1-CG2 4.08Å
77I91Very high89.1Confident41 Ų4140.3 Ų40.321%0.2122%0.224CC..Hα-helixtrans-66.3-43.3178.8-64.9165.8000110.4I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.31Å; I31-I77 HydrophobicContact CG1-CG2 4.49Å; I50-I77 HydrophobicContact CD1-CD1 3.98Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å; V73-I77 HydrophobicContact CG1-CD1 3.74Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.47Å; V73-I77 WeakPolarHBondContact O-CG1 3.09Å; V73-I77 PolarHBondContact O-N 3.22Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 3.38Å; I77-T81 HydrophobicContact CG2-CG2 4.35Å; I77-T81 WeakPolarHBondContact O-CB 3.44Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.49Å; I77-T81 PolarHBondContact O-N 3.43Å; I77-T81 PolarHBondContact O-OG1 3.24Å
78F90.3Very high89.1Confident50 Ų5039.9 Ų39.922%0.21922%0.217CC..Hα-helixtrans-60.8-53.5178.2-178.7-104.5000111.7I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.41Å; S74-F78 VanDerWaalsContact O-CB 3.27Å; S74-F78 WeakPolarHBondContact O-CB 3.31Å; S74-F78 PolarHBondContact O-N 2.87Å; L75-F78 PolarHBondContact O-N 3.37Å; F78-A80 PolarHBondContact O-N 3.48Å; F78-T81 PolarHBondContact O-N 2.97Å; F78-T81 PolarHBondContact O-OG1 3.4Å; F78-T82 HydrophobicContact CD2-CG2 4.37Å; F78-T82 HydrophobicContact CE1-CG2 4.17Å; F78-T82 HydrophobicContact CE2-CG2 4Å; F78-T82 HydrophobicContact CZ-CG2 3.89Å; F78-T82 WeakPolarHBondContact O-CG2 3.2Å; F78-T82 PolarHBondContact O-N 3.35Å; F78-T82 PolarHBondContact O-OG1 3Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; F78-M100 HydrophobicContact CE1-CE 3.82Å; F78-M100 HydrophobicContact CZ-CE 3.64Å; F78-M104 HydrophobicContact CD1-SD 3.89Å; F78-M104 HydrophobicContact CE1-CE 4.4Å; F78-M104 HydrophobicContact CE1-SD 3.57Å; F78-M104 VanDerWaalsContact CE1-SD 3.57Å
79I90.1Very high88.9Confident0 Ų042.7 Ų42.70%024%0.242CC..Hα-helixtrans-65.4-42.1-177.7-60.3168.5000111L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.15Å; L75-I79 HydrophobicContact CG-CD1 3.93Å; L75-I79 WeakPolarHBondContact O-CG1 3.16Å; L75-I79 PolarHBondContact O-N 2.95Å; I79-T81 PolarHBondContact O-N 3.3Å; I79-T82 WeakPolarHBondContact CA-OG1 3.47Å; I79-T82 PolarHBondContact O-OG1 3.21Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.3Å; I79-N83 VanDerWaalsContact O-CB 3.32Å; I79-N83 WeakPolarHBondContact O-CB 3.37Å; I79-N83 PolarHBondContact O-N 3.38Å; I79-N83 PolarHBondContact O-ND2 3.34Å; I79-N83 PolarHBondContact O-OD1 2.87Å; I79-L160 HydrophobicContact CG2-CD1 4.08Å; I79-L160 HydrophobicContact CG2-CD2 4.17Å; I79-A211 HydrophobicContact CB-CB 4.07Å; I79-A211 HydrophobicContact CG2-CB 3.79Å; I79-F214 HydrophobicContact CD1-CB 4.24Å; I79-F214 HydrophobicContact CD1-CD1 3.34Å; I79-F214 HydrophobicContact CD1-CD2 4.36Å; I79-F214 HydrophobicContact CD1-CE1 3.69Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å
80A89.9Confident88.5Confident28 Ų2850.8 Ų50.823%0.23128%0.276CS..Hα-helixtrans-63.1-43.817900000111.7I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.4Å; I76-A80 PolarHBondContact O-N 3.12Å; F78-A80 PolarHBondContact O-N 3.48Å; A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 PolarHBondContact O-N 3.2Å; A80-A211 HydrophobicContact CB-CB 3.9Å
81T90.2Very high88.1Confident34 Ų3445.1 Ų45.121%0.20925%0.249CC..Hα-helixtrans-69.4-42.3179.453.20000112P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.5Å; I77-T81 HydrophobicContact CG2-CG2 4.35Å; I77-T81 WeakPolarHBondContact O-CB 3.44Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.49Å; I77-T81 PolarHBondContact O-N 3.43Å; I77-T81 PolarHBondContact O-OG1 3.24Å; F78-T81 PolarHBondContact O-N 2.97Å; F78-T81 PolarHBondContact O-OG1 3.4Å; I79-T81 PolarHBondContact O-N 3.3Å; T81-N83 PolarHBondContact O-N 3.07Å; T81-L84 PolarHBondContact O-N 3.42Å; T81-L85 VanDerWaalsContact O-CB 3.27Å; T81-L85 WeakPolarHBondContact O-CB 3.42Å; T81-L85 PolarHBondContact O-N 3.45Å
82T89.9Confident87.6Confident4 Ų444 Ų443%0.02524%0.243CC..Hα-helixtrans-62.8-40.9176.152.30000112.5P27 F78 I79 G86 T95P27-T82 HydrophobicContact CB-CG2 4.27Å; P27-T82 HydrophobicContact CG-CG2 3.54Å; F78-T82 HydrophobicContact CD2-CG2 4.37Å; F78-T82 HydrophobicContact CE1-CG2 4.17Å; F78-T82 HydrophobicContact CE2-CG2 4Å; F78-T82 HydrophobicContact CZ-CG2 3.89Å; F78-T82 WeakPolarHBondContact O-CG2 3.2Å; F78-T82 PolarHBondContact O-N 3.35Å; F78-T82 PolarHBondContact O-OG1 3Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; I79-T82 WeakPolarHBondContact CA-OG1 3.47Å; I79-T82 PolarHBondContact O-OG1 3.21Å; T82-G86 PolarHBondContact O-N 3.28Å; T82-G86 VanDerWaalsContact O-N 3.08Å; T82-T95 WeakPolarHBondContact OG1-CG2 3.27Å
83N90.1Very high87.3Confident2 Ų244.1 Ų44.11%0.01124%0.244CC..Hα-helixtrans-71.1-42.6-178.9-67.2-9.6000111.4I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.3Å; I79-N83 VanDerWaalsContact O-CB 3.32Å; I79-N83 WeakPolarHBondContact O-CB 3.37Å; I79-N83 PolarHBondContact O-N 3.38Å; I79-N83 PolarHBondContact O-ND2 3.34Å; I79-N83 PolarHBondContact O-OD1 2.87Å; T81-N83 PolarHBondContact O-N 3.07Å; N83-G86 WeakPolarHBondContact O-CA 3.41Å; N83-G86 PolarHBondContact O-N 3.02Å; N83-G86 VanDerWaalsContact O-N 3.15Å; N83-L87 PolarHBondContact O-N 3.12Å; N83-T95 WeakPolarHBondContact OD1-CB 3.47Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.37Å; N83-T95 PolarHBondContact OD1-OG1 2.98Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.26Å; N83-I164 HydrophobicContact CB-CD1 4.3Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.29Å; N83-A207 HydrophobicContact CB-CB 3.92Å; N83-A207 PolarHBondContact ND2-O 3.14Å
84L88.8Confident86.7Confident103 Ų10343.8 Ų43.854%0.53924%0.242SC..Hα-helixtrans-67-43.9179.5-171.271000111.6A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 PolarHBondContact O-N 3.2Å; T81-L84 PolarHBondContact O-N 3.42Å; L84-G86 PolarHBondContact O-N 2.93Å; L84-L87 PolarHBondContact O-N 2.9Å; L84-L87 VanDerWaalsContact O-N 3.15Å; L84-I204 HydrophobicContact CD1-CG2 4.25Å
85L88.4Confident86.4Confident40 Ų4040.5 Ų40.521%0.20922%0.219CC..Hα-helixtrans-59.1-31.9173.9-151.782.7000111.4F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 4.31Å; F26-L85 HydrophobicContact CD1-CD2 3.42Å; F26-L85 VanDerWaalsContact CD1-CD2 3.42Å; F26-L85 HydrophobicContact CD1-CG 4.49Å; F26-L85 HydrophobicContact CE1-CD1 4.05Å; F26-L85 HydrophobicContact CE1-CD2 3.88Å; F26-L85 HydrophobicContact CG-CD2 4.44Å; L30-L85 HydrophobicContact CD1-CD1 3.6Å; T81-L85 VanDerWaalsContact O-CB 3.27Å; T81-L85 WeakPolarHBondContact O-CB 3.42Å; T81-L85 PolarHBondContact O-N 3.45Å; L85-L87 VanDerWaalsContact C-N 3.27Å; L85-L87 PolarHBondContact O-N 2.99Å; L85-L88 HydrophobicContact CD1-CD1 4.09Å; L85-L88 HydrophobicContact CG-CD1 4.11Å; L85-L88 VanDerWaalsContact O-CB 3.29Å; L85-L88 WeakPolarHBondContact O-CB 3.47Å; L85-L88 VanDerWaalsContact O-CG 3.3Å; L85-L88 WeakPolarHBondContact O-CG 3.38Å; L85-L88 PolarHBondContact O-N 3.03Å; L85-S91 PolarHBondContact O-OG 2.83Å; L85-S91 VanDerWaalsContact O-OG 3.12Å
86G84.8Confident86.1Confident2 Ų240.2 Ų40.22%0.02122%0.218CC..THydrogen-bonded Turntrans-65.7-21.3177.900000117.4T82 N83 L84 S91 H168T82-G86 PolarHBondContact O-N 3.28Å; T82-G86 VanDerWaalsContact O-N 3.08Å; N83-G86 WeakPolarHBondContact O-CA 3.41Å; N83-G86 PolarHBondContact O-N 3.02Å; N83-G86 VanDerWaalsContact O-N 3.15Å; L84-G86 PolarHBondContact O-N 2.93Å; G86-S91 WeakPolarHBondContact CA-OG 3.33Å; G86-S91 PolarHBondContact O-OG 2.94Å; G86-S91 VanDerWaalsContact O-OG 3.05Å; G86-H168 PolarHBondContact O-CE1 3.12Å; G86-H168 VanDerWaalsContact O-CE1 3.3Å; G86-H168 PolarHBondContact O-NE2 3.37Å
87L85.7Confident85.9Confident38 Ų3842.7 Ų42.720%0.19923%0.229CC..THydrogen-bonded Turntrans-82.8-5.8177.3-61.4175.2000112N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.12Å; L84-L87 PolarHBondContact O-N 2.9Å; L84-L87 VanDerWaalsContact O-N 3.15Å; L85-L87 VanDerWaalsContact C-N 3.27Å; L85-L87 PolarHBondContact O-N 2.99Å; L87-M171 HydrophobicContact CD2-CE 4.07Å; L87-E203 HydrophobicContact CD1-CG 4.47Å; L87-E203 HydrophobicContact CD2-CB 4.21Å; L87-E203 HydrophobicContact CD2-CG 3.42Å; L87-E203 VanDerWaalsContact CD2-CG 3.42Å; L87-I204 HydrophobicContact CD1-CB 4.19Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; L87-A207 HydrophobicContact CD1-CB 4.08Å
88L85.9Confident85.7Confident93 Ų9344.1 Ų44.149%0.48724%0.236SC..SBendtrans-66.8143175.1-65.1174.6000110.6L85 H90 S91L85-L88 HydrophobicContact CD1-CD1 4.09Å; L85-L88 HydrophobicContact CG-CD1 4.11Å; L85-L88 VanDerWaalsContact O-CB 3.29Å; L85-L88 WeakPolarHBondContact O-CB 3.47Å; L85-L88 VanDerWaalsContact O-CG 3.3Å; L85-L88 WeakPolarHBondContact O-CG 3.38Å; L85-L88 PolarHBondContact O-N 3.03Å; L88-H90 PolarHBondContact O-N 3.47Å; L88-S91 WeakPolarHBondContact O-CB 3.31Å; L88-S91 PolarHBondContact O-N 3.04Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 2.89Å
89P79.8Confident85.5Confident112 Ų11245.7 Ų45.773%0.72725%0.254SS*.THydrogen-bonded Turntrans-58.8135-179.624.7-33.7000110.6S91P89-S91 PolarHBondContact O-N 3.17Å; P89-S91 VanDerWaalsContact O-N 3.12Å
90H80.1Confident85.3Confident203 Ų20347.3 Ų47.394%0.9426%0.262SS*.THydrogen-bonded Turntrans5817.6-179-56.2-61.3000115.8L88L88-H90 PolarHBondContact O-N 3.47Å
91S82.1Confident85.2Confident30 Ų3046 Ų4621%0.2125%0.251CS..  trans-80.7137.1171.767.60000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 2.83Å; L85-S91 VanDerWaalsContact O-OG 3.12Å; G86-S91 WeakPolarHBondContact CA-OG 3.33Å; G86-S91 PolarHBondContact O-OG 2.94Å; G86-S91 VanDerWaalsContact O-OG 3.05Å; L88-S91 WeakPolarHBondContact O-CB 3.31Å; L88-S91 PolarHBondContact O-N 3.04Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 2.89Å; P89-S91 PolarHBondContact O-N 3.17Å; P89-S91 VanDerWaalsContact O-N 3.12Å
92F80.3Confident85Confident28 Ų2846.3 Ų46.312%0.12325%0.251CS..  trans-84.1126169172.1-94.6000109.3S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.34Å; A11-F92 HydrophobicContact CB-CZ 4.44Å; P12-F92 HydrophobicContact CG-CB 4.36Å; P12-F92 HydrophobicContact CG-CD1 4.15Å; P12-F92 HydrophobicContact CG-CG 4.08Å; A20-F92 HydrophobicContact CB-CE1 4.35Å; I23-F92 HydrophobicContact CD1-CB 4.09Å; I23-F92 HydrophobicContact CD1-CD1 3.91Å; I23-F92 HydrophobicContact CD1-CG 4.38Å; I23-F92 HydrophobicContact CG2-CD1 4.43Å; I23-F92 WeakPolarHBondContact CG2-O 2.97Å; F92-P94 HydrophobicContact CE1-CB 4.47Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å
93T81.8Confident84.9Confident3 Ų349.3 Ų49.32%0.01828%0.276CS..  trans-98.4112.7179.730.50000111.2T95 T96T93-T95 PolarHBondContact O-N 3.14Å; T93-T96 PolarHBondContact O-N 3.04Å; T93-T96 PolarHBondContact O-OG1 3.24Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.47Å
94P80.3Confident84.7Confident9 Ų950.6 Ų50.66%0.05828%0.283CS..G310 helixtrans-64.1-24.1177.826-33.2000112.7I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.28Å; I24-P94 HydrophobicContact CG1-CB 3.69Å; I24-P94 HydrophobicContact CG1-CG 4.03Å; F92-P94 HydrophobicContact CE1-CB 4.47Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 2.89Å; P94-Q97 PolarHBondContact O-N 3.35Å; P94-M100 HydrophobicContact CB-CE 4.31Å; P94-M100 HydrophobicContact CB-SD 3.77Å; P94-M100 WeakPolarHBondContact O-CB 3.4Å
95T83.5Confident84.5Confident0 Ų045.8 Ų45.80%026%0.258CS..G310 helixtrans-75.4-7.2178.851.40000114.6T82 N83 T93 Q97 N101 I164T82-T95 WeakPolarHBondContact OG1-CG2 3.27Å; N83-T95 WeakPolarHBondContact OD1-CB 3.47Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.37Å; N83-T95 PolarHBondContact OD1-OG1 2.98Å; T93-T95 PolarHBondContact O-N 3.14Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; T95-N101 PolarHBondContact O-ND2 3.2Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.44Å
96T84Confident84.4Confident9 Ų947.9 Ų47.96%0.05527%0.268CS..G310 helixtrans-74.7-27.4169.556.60000112.3F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; T93-T96 PolarHBondContact O-N 3.04Å; T93-T96 PolarHBondContact O-OG1 3.24Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.47Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 2.89Å; T96-L98 PolarHBondContact O-N 3.35Å; T96-T161 WeakPolarHBondContact O-CG2 3.16Å; T96-I164 HydrophobicContact CG2-CB 4.41Å; T96-I164 HydrophobicContact CG2-CG2 3.68Å; T96-T165 HydrophobicContact CG2-CG2 3.76Å
97Q87.6Confident84.6Confident68 Ų6851.6 Ų51.632%0.31829%0.292SS..SBendtrans-77.5119.9178.2-65.3-62.9-30.500109.6F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 2.93Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å; P94-Q97 PolarHBondContact O-N 3.35Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 3.33Å; Q97-M100 PolarHBondContact O-N 2.94Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 3.48Å
98L85.6Confident84.7Confident70 Ų7050.9 Ų50.937%0.36629%0.288SS..Hα-helixtrans-56.7-34.3178.3-177.563.7000111.9T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.35Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.46Å; L98-N101 PolarHBondContact O-N 3.09Å; L98-L102 VanDerWaalsContact O-CB 3.26Å; L98-L102 WeakPolarHBondContact O-CB 3.49Å; L98-L102 PolarHBondContact O-N 3.41Å; L98-M154 HydrophobicContact CD2-CE 4.13Å; L98-A157 HydrophobicContact CD1-CB 4.39Å; L98-V158 HydrophobicContact CD1-CG2 3.93Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å
99S87Confident84.7Confident84 Ų8448.4 Ų48.459%0.58727%0.273SS*.Hα-helixtrans-56.1-43.917756.50000112.8Q97 A103Q97-S99 PolarHBondContact O-N 3.33Å; S99-A103 WeakPolarHBondContact O-CB 3.33Å; S99-A103 PolarHBondContact O-N 3.49Å
100M86.5Confident84.9Confident33 Ų3344.4 Ų44.416%0.16325%0.249CC..Hα-helixtrans-65.2-48.5179.5-177.4111.8-179.600111.1I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-CE 4.2Å; I24-M100 HydrophobicContact CD1-SD 3.63Å; I24-M100 HydrophobicContact CG1-CE 3.99Å; I24-M100 HydrophobicContact CG1-SD 3.94Å; I24-M100 HydrophobicContact CG2-CE 3.93Å; F78-M100 HydrophobicContact CE1-CE 3.82Å; F78-M100 HydrophobicContact CZ-CE 3.64Å; P94-M100 HydrophobicContact CB-CE 4.31Å; P94-M100 HydrophobicContact CB-SD 3.77Å; P94-M100 WeakPolarHBondContact O-CB 3.4Å; Q97-M100 PolarHBondContact O-N 2.94Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.46Å; M100-L102 VanDerWaalsContact C-N 3.31Å; M100-L102 PolarHBondContact O-N 3.11Å; M100-A103 PolarHBondContact O-N 3.33Å; M100-M104 HydrophobicContact CE-CE 4.32Å; M100-M104 HydrophobicContact CG-CE 3.69Å; M100-M104 WeakPolarHBondContact O-CG 3.29Å; M100-M104 PolarHBondContact O-N 3.15Å
101N87.2Confident85.1Confident0 Ų035.7 Ų35.70%021%0.214CC..Hα-helixtrans-67.2-36.5-177.3-66.1-9.2000111.7T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.2Å; Q97-N101 PolarHBondContact O-N 3.48Å; L98-N101 PolarHBondContact O-N 3.09Å; N101-M104 PolarHBondContact O-N 3.26Å; N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 3.15Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 3.29Å; N101-L160 HydrophobicContact CB-CD2 4.32Å; N101-L160 VanDerWaalsContact CG-CD2 3.44Å; N101-L160 WeakPolarHBondContact ND2-CB 3.48Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.25Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.27Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.38Å; N101-T161 HydrophobicContact CB-CG2 4.31Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.37Å; N101-T161 PolarHBondContact ND2-N 3.28Å
102L85.5Confident85.1Confident42 Ų4234.4 Ų34.422%0.2221%0.205CC..Hα-helixtrans-70.8-39177-150.572.5000111.8L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.26Å; L98-L102 WeakPolarHBondContact O-CB 3.49Å; L98-L102 PolarHBondContact O-N 3.41Å; M100-L102 VanDerWaalsContact C-N 3.31Å; M100-L102 PolarHBondContact O-N 3.11Å; L102-M104 PolarHBondContact O-N 3.41Å; L102-A105 PolarHBondContact O-N 3.37Å; L102-I106 HydrophobicContact CD1-CD1 4.34Å; L102-I106 HydrophobicContact CD1-CG1 4.47Å; L102-I106 HydrophobicContact CD2-CD1 3.89Å; L102-I106 HydrophobicContact CG-CD1 3.6Å; L102-I106 HydrophobicContact CG-CG1 4.07Å; L102-I106 WeakPolarHBondContact O-CG1 3.48Å; L102-I106 PolarHBondContact O-N 2.92Å; L102-M154 HydrophobicContact CD1-CE 4.29Å; L102-M154 HydrophobicContact CD1-SD 3.31Å; L102-M154 WeakPolarHBondContact CD1-SD 3.46Å; L102-M154 HydrophobicContact CD2-SD 4.15Å; L102-M154 HydrophobicContact CG-SD 4.38Å; L102-A157 HydrophobicContact CD1-CB 3.69Å
103A88.2Confident85.2Confident67 Ų6733.8 Ų33.855%0.55420%0.203SC*.Hα-helixtrans-62.9-28.9173.300000112.7S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.33Å; S99-A103 PolarHBondContact O-N 3.49Å; M100-A103 PolarHBondContact O-N 3.33Å; A103-P107 WeakPolarHBondContact O-CD 3.22Å; A103-P107 WeakPolarHBondContact O-CG 3.3Å
104M84.6Confident85.3Confident29 Ų2938.3 Ų38.314%0.14323%0.226CC..Hα-helixtrans-80-45.6171.4-69.5-175.2-78.200112.3F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.89Å; F78-M104 HydrophobicContact CE1-CE 4.4Å; F78-M104 HydrophobicContact CE1-SD 3.57Å; F78-M104 VanDerWaalsContact CE1-SD 3.57Å; M100-M104 HydrophobicContact CE-CE 4.32Å; M100-M104 HydrophobicContact CG-CE 3.69Å; M100-M104 WeakPolarHBondContact O-CG 3.29Å; M100-M104 PolarHBondContact O-N 3.15Å; N101-M104 PolarHBondContact O-N 3.26Å; L102-M104 PolarHBondContact O-N 3.41Å; M104-L108 WeakPolarHBondContact O-CD1 3.47Å; M104-L108 WeakPolarHBondContact O-CG 3.43Å
105A85.8Confident85.2Confident2 Ų240.1 Ų40.12%0.01724%0.235CC..Hα-helixtrans-70.4-44.7-172.300000113.5N101 L102 L108 W109 A157 F214N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 3.15Å; L102-A105 PolarHBondContact O-N 3.37Å; A105-L108 PolarHBondContact O-N 3.29Å; A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.35Å; A105-W109 PolarHBondContact O-N 3.18Å; A105-A157 HydrophobicContact CB-CB 4.23Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.15Å
106I87.1Confident84.8Confident84 Ų8440.2 Ų40.243%0.43124%0.235SC..Hα-helixtrans-62.2-50.5-174.7-66.3172.2000111.9L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 4.34Å; L102-I106 HydrophobicContact CD1-CG1 4.47Å; L102-I106 HydrophobicContact CD2-CD1 3.89Å; L102-I106 HydrophobicContact CG-CD1 3.6Å; L102-I106 HydrophobicContact CG-CG1 4.07Å; L102-I106 WeakPolarHBondContact O-CG1 3.48Å; L102-I106 PolarHBondContact O-N 2.92Å; I106-L108 VanDerWaalsContact C-N 3.35Å; I106-L108 PolarHBondContact O-N 2.69Å; I106-W109 PolarHBondContact O-N 3.36Å; I106-A110 WeakPolarHBondContact O-CB 3.33Å; I106-A110 PolarHBondContact O-N 2.93Å
107P88.5Confident84.4Confident80 Ų8043.6 Ų43.652%0.51925%0.249SC..Hα-helixtrans-65.1-37.3-178.4-23.736.4000113.1A103 G111A103-P107 WeakPolarHBondContact O-CD 3.22Å; A103-P107 WeakPolarHBondContact O-CG 3.3Å; P107-G111 PolarHBondContact O-N 2.81Å
108L86.8Confident83.8Confident22 Ų2250.4 Ų50.412%0.11527%0.272CS..Hα-helixtrans-65.8-46.6178.7-69170.9000111.5M71 L75 M104 A105 I106 G111 X112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.29Å; M71-L108 HydrophobicContact CG-CD2 4.23Å; M71-L108 HydrophobicContact SD-CD2 3.4Å; M71-L108 WeakPolarHBondContact SD-CD2 3.32Å; L75-L108 HydrophobicContact CD1-CD1 3.39Å; L75-L108 HydrophobicContact CD2-CD1 3.82Å; L75-L108 HydrophobicContact CG-CD1 4.25Å; M104-L108 WeakPolarHBondContact O-CD1 3.47Å; M104-L108 WeakPolarHBondContact O-CG 3.43Å; A105-L108 PolarHBondContact O-N 3.29Å; I106-L108 VanDerWaalsContact C-N 3.35Å; I106-L108 PolarHBondContact O-N 2.69Å; L108-G111 PolarHBondContact O-N 2.75Å; L108-A112 PolarHBondContact O-N 3.27Å; L108-A112 VanDerWaalsContact O-N 3.1Å; L108-F214 HydrophobicContact CD1-CE1 4.13Å; L108-V218 HydrophobicContact CB-CG1 4.46Å
109W85.5Confident83Confident42 Ų4249.3 Ų49.316%0.15927%0.271CS..Hα-helixtrans-64.4-47.3175.9173.190.2000111.4A105 I106 G111 X112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.35Å; A105-W109 PolarHBondContact O-N 3.18Å; I106-W109 PolarHBondContact O-N 3.36Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.26Å; W109-A112 PolarHBondContact O-N 3.41Å; W109-A112 VanDerWaalsContact O-N 3.15Å; W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CH2-CG2 4.35Å; W109-V113 HydrophobicContact CZ2-CG2 3.89Å; W109-V113 WeakPolarHBondContact O-CG2 3.47Å; W109-V113 PolarHBondContact O-N 3.3Å; W109-L149 HydrophobicContact CH2-CD2 4.06Å; W109-L149 HydrophobicContact CZ2-CD2 3.43Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.43Å; W109-L149 HydrophobicContact CZ2-CG 3.88Å; W109-L149 VanDerWaalsContact CZ2-O 3.26Å; W109-L149 WeakPolarHBondContact CZ2-O 3.36Å; W109-L149 PolarHBondContact NE1-O 3.18Å; W109-L150 HydrophobicContact CH2-CD2 3.78Å; W109-L150 HydrophobicContact CZ2-CD2 4.32Å; W109-P153 HydrophobicContact CB-CB 3.91Å; W109-P153 HydrophobicContact CB-CG 4.4Å; W109-P153 HydrophobicContact CD2-CB 4.3Å; W109-P153 HydrophobicContact CD2-CG 3.81Å; W109-P153 HydrophobicContact CE3-CG 4.34Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.81Å
110A84.6Confident82.2Confident27 Ų2750 Ų5022%0.22326%0.263CS..Hα-helixtrans-60.5-40.5178.900000111I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.33Å; I106-A110 PolarHBondContact O-N 2.93Å; A110-V113 PolarHBondContact O-N 3.41Å; A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.24Å; A110-I114 WeakPolarHBondContact O-CD1 3.02Å; A110-I114 WeakPolarHBondContact O-CG1 3.4Å; A110-I114 PolarHBondContact O-N 3.38Å
111G84.8Confident81.1Confident21 Ų2153.7 Ų53.722%0.21628%0.282CS..Hα-helixtrans-59.6-45.9174.500000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 2.81Å; L108-G111 PolarHBondContact O-N 2.75Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.26Å; G111-M115 WeakPolarHBondContact O-CB 3.07Å; G111-M115 PolarHBondContact O-N 3.3Å
112X82.4Confident79.9Confident2 Ų262.6 Ų62.62%0.01732%0.321CS..Hα-helixtrans-62.9-45.8177.200000111.9L108 W109 M115 G116L108-A112 PolarHBondContact O-N 3.27Å; L108-A112 VanDerWaalsContact O-N 3.1Å; W109-A112 PolarHBondContact O-N 3.41Å; W109-A112 VanDerWaalsContact O-N 3.15Å; A112-M115 PolarHBondContact O-N 2.87Å; A112-G116 PolarHBondContact O-N 3.33Å
113V81.9Confident79Confident15 Ų1565.4 Ų65.49%0.09134%0.336CS..Hα-helixtrans-65-46.6179.1172.60000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CH2-CG2 4.35Å; W109-V113 HydrophobicContact CZ2-CG2 3.89Å; W109-V113 WeakPolarHBondContact O-CG2 3.47Å; W109-V113 PolarHBondContact O-N 3.3Å; A110-V113 PolarHBondContact O-N 3.41Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.3Å; V113-G116 PolarHBondContact O-N 3.08Å; V113-G116 VanDerWaalsContact O-N 3.13Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 WeakPolarHBondContact O-CD2 3.33Å; V113-F117 PolarHBondContact O-N 2.9Å
114I83.2Confident77.8Confident98 Ų9863 Ų6350%0.50332%0.317SS..Hα-helixtrans-61.3-39.2177-68.6163.2000110.6A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.24Å; A110-I114 WeakPolarHBondContact O-CD1 3.02Å; A110-I114 WeakPolarHBondContact O-CG1 3.4Å; A110-I114 PolarHBondContact O-N 3.38Å; I114-G116 VanDerWaalsContact C-N 3.34Å; I114-F117 PolarHBondContact O-N 2.67Å; I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.46Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.48Å; I114-R118 PolarHBondContact O-N 3.45Å
115M79.8Confident76.7Confident48 Ų4866.2 Ų66.224%0.23633%0.334CS..Hα-helixtrans-65.3-37.8175.9-171.2170.9-177.500112.2W68 G111 X112 V113 R118 S119 L222W68-M115 HydrophobicContact CZ2-SD 3.95Å; W68-M115 PolarHBondContact NE1-SD 3.07Å; G111-M115 WeakPolarHBondContact O-CB 3.07Å; G111-M115 PolarHBondContact O-N 3.3Å; A112-M115 PolarHBondContact O-N 2.87Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.3Å; M115-R118 PolarHBondContact O-N 3.22Å; M115-S119 WeakPolarHBondContact O-CB 3.07Å; M115-S119 PolarHBondContact O-N 3.47Å; M115-S119 PolarHBondContact O-OG 2.97Å; M115-L222 HydrophobicContact SD-CD1 4.19Å
116G73.9Confident75.5Confident1 Ų168.7 Ų68.71%0.0135%0.354CS..Hα-helixtrans-61.5-50.9173.200000112.7X112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.33Å; V113-G116 PolarHBondContact O-N 3.08Å; V113-G116 VanDerWaalsContact O-N 3.13Å; I114-G116 VanDerWaalsContact C-N 3.34Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.91Å; G116-S119 PolarHBondContact O-N 3.04Å; G116-S119 PolarHBondContact O-OG 3.1Å; G116-K120 PolarHBondContact O-N 3.19Å; G116-N225 VanDerWaalsContact CA-O 3.25Å; G116-N225 WeakPolarHBondContact CA-O 3.16Å
117F76.7Confident74.4Confident80 Ų8070 Ų7035%0.35136%0.358SS..Hα-helixtrans-59.4-40.9175.4-77.6-65.1000112.1V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 WeakPolarHBondContact O-CD2 3.33Å; V113-F117 PolarHBondContact O-N 2.9Å; I114-F117 PolarHBondContact O-N 2.67Å; F117-I121 WeakPolarHBondContact O-CG1 3.5Å; F117-A124 HydrophobicContact CD1-CB 4.25Å; F117-A124 HydrophobicContact CE1-CB 4.35Å; F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.78Å; F117-F128 HydrophobicContact CZ-CE2 4.49Å
118R75.3Confident73.1Confident212 Ų21268 Ų6880%0.834%0.342SS*.Hα-helixtrans-69.7-34.5178.9-73.9-179.369.9-168.82.3113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.46Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.48Å; I114-R118 PolarHBondContact O-N 3.45Å; M115-R118 PolarHBondContact O-N 3.22Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.91Å
119S68.1Low71.9Confident47 Ų4770 Ų7033%0.32935%0.352SS..Hα-helixtrans-88.2-39.2-172.773.90000113.4M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.07Å; M115-S119 PolarHBondContact O-N 3.47Å; M115-S119 PolarHBondContact O-OG 2.97Å; G116-S119 PolarHBondContact O-N 3.04Å; G116-S119 PolarHBondContact O-OG 3.1Å; S119-N225 PolarHBondContact OG-O 2.83Å
120K69.3Low70.8Confident97 Ų9771.3 Ų71.342%0.42237%0.366SS..  trans-147.872.5-177-67.7176.7-179.7159.80111.5G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.19Å; K120-K122 VanDerWaalsContact C-N 3.25Å; K120-K122 PolarHBondContact O-N 3.49Å; K120-K122 VanDerWaalsContact O-N 3.16Å; K120-N123 HydrophobicContact CB-CB 3.88Å; K120-N123 HydrophobicContact CD-CB 4.23Å; K120-N123 PolarHBondContact O-N 3.44Å; K120-N123 VanDerWaalsContact O-N 3.08Å; K120-A124 WeakPolarHBondContact O-CB 3.44Å; K120-A124 PolarHBondContact O-N 3.36Å; K120-T226 WeakPolarHBondContact CE-O 3.41Å; K120-T226 PolarHBondContact NZ-O 3.48Å
121I63.6Low69.6Low111 Ų11179.7 Ų79.757%0.56940%0.4SS*.Hα-helixtrans-47.4-48.1177.1-59.7170.5000111.7F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.5Å; I121-N123 PolarHBondContact O-N 3.42Å; I121-L125 HydrophobicContact CG2-CD1 3.92Å; I121-L125 WeakPolarHBondContact O-CD1 3.43Å; I121-L125 PolarHBondContact O-N 3.41Å
122K62Low68.5Low188 Ų18882.6 Ų82.682%0.81743%0.431SS*.Hα-helixtrans-66.7-36.7-176.5-64.9-175.7180-177.40113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.25Å; K120-K122 PolarHBondContact O-N 3.49Å; K120-K122 VanDerWaalsContact O-N 3.16Å; K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.39Å; K122-A126 PolarHBondContact O-N 3.45Å
123N66.6Low67.9Low100 Ų10084.3 Ų84.354%0.53544%0.441SS..Hα-helixtrans-79.7-36.1-178.6-150.659.2000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.88Å; K120-N123 HydrophobicContact CD-CB 4.23Å; K120-N123 PolarHBondContact O-N 3.44Å; K120-N123 VanDerWaalsContact O-N 3.08Å; I121-N123 PolarHBondContact O-N 3.42Å; N123-A126 PolarHBondContact O-N 3.31Å; N123-H127 PolarHBondContact O-N 2.99Å; N123-H127 VanDerWaalsContact O-N 3.09Å
124A63Low67.4Low18 Ų1887.1 Ų87.115%0.14946%0.459CS..Hα-helixtrans-63.3-42.6173.400000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.25Å; F117-A124 HydrophobicContact CE1-CB 4.35Å; K120-A124 WeakPolarHBondContact O-CB 3.44Å; K120-A124 PolarHBondContact O-N 3.36Å; A124-H127 PolarHBondContact O-N 3.19Å
125L62.1Low67Low95 Ų9588.2 Ų88.250%0.49747%0.471SS..Hα-helixtrans-70.6-32174.4-89.179.5000112.7F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.78Å; I121-L125 HydrophobicContact CG2-CD1 3.92Å; I121-L125 WeakPolarHBondContact O-CD1 3.43Å; I121-L125 PolarHBondContact O-N 3.41Å; L125-H127 VanDerWaalsContact C-N 3.31Å; L125-H127 PolarHBondContact O-N 3.22Å; L125-F128 PolarHBondContact O-N 2.87Å
126A61.3Low67.1Low55 Ų5590.9 Ų90.946%0.45549%0.492SS..Hα-helixtrans-68.5-28.4177.300000112.8K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.39Å; K122-A126 PolarHBondContact O-N 3.45Å; N123-A126 PolarHBondContact O-N 3.31Å; A126-F128 PolarHBondContact O-N 3.45Å; A126-L129 PolarHBondContact O-N 3.32Å
127H62.9Low67.3Low111 Ų11195.9 Ų95.951%0.51452%0.518SS..THydrogen-bonded Turntrans-63.5-22.9175.2-166.5-70000112.7N123 A124 L125 L129 E145N123-H127 PolarHBondContact O-N 2.99Å; N123-H127 VanDerWaalsContact O-N 3.09Å; A124-H127 PolarHBondContact O-N 3.19Å; L125-H127 VanDerWaalsContact C-N 3.31Å; L125-H127 PolarHBondContact O-N 3.22Å; H127-L129 PolarHBondContact O-N 3.17Å; H127-E145 IonicContact CE1-OE1 3.86Å; H127-E145 IonicContact ND1-OE1 3.89Å
128F61.8Low67.4Low38 Ų3894.3 Ų94.317%0.16751%0.512CS..THydrogen-bonded Turntrans-67.9-15.3174.5-67.2-57.2000113.5F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.49Å; L125-F128 PolarHBondContact O-N 2.87Å; A126-F128 PolarHBondContact O-N 3.45Å; F128-L141 WeakPolarHBondContact O-CD2 3.48Å; F128-E145 HydrophobicContact CD1-CB 4.28Å; F128-E145 HydrophobicContact CD1-CG 3.85Å; F128-T146 HydrophobicContact CD1-CG2 4.19Å; F128-T146 HydrophobicContact CE1-CG2 3.96Å; F128-T146 HydrophobicContact CZ-CG2 4.46Å; F128-L149 HydrophobicContact CE1-CD1 4.47Å
129L62.1Low67.6Low65 Ų6588.2 Ų88.234%0.3450%0.501SS..SBendtrans-122.1113.9176.1-102.173.5000111.2A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 3.32Å; H127-L129 PolarHBondContact O-N 3.17Å; L129-Q131 PolarHBondContact O-N 3.44Å; L129-I138 HydrophobicContact CD1-CG2 3.93Å; L129-I138 HydrophobicContact CD2-CD1 4.25Å; L129-I138 HydrophobicContact CD2-CG1 4.4Å; L129-I138 HydrophobicContact CD2-CG2 3.83Å; L129-I138 HydrophobicContact CG-CG2 4.15Å; L129-V142 HydrophobicContact CD1-CG2 3.32Å
130P60.6Low68.3Low68 Ų6891.6 Ų91.644%0.44251%0.512SS..  trans-63.6137.1163.920.8-21.7000109.5G132 T133 L141P130-G132 PolarHBondContact O-N 3.34Å; P130-T133 HydrophobicContact CG-CG2 3.77Å; P130-T133 PolarHBondContact O-OG1 3.38Å; P130-L141 HydrophobicContact CG-CD1 3.83Å; P130-L141 HydrophobicContact CG-CD2 3.99Å
131Q60.7Low68.9Low203 Ų20389.3 Ų89.395%0.94951%0.505SS*.THydrogen-bonded Turntrans-64.8131.6-178.3-62.4-159.8-0.800110.4L129L129-Q131 PolarHBondContact O-N 3.44Å
132G61.6Low69.8Low83 Ų8386.2 Ų86.286%0.85649%0.491SS*.THydrogen-bonded Turntrans95.417177.500000115.8P130P130-G132 PolarHBondContact O-N 3.34Å
133T69.6Low70.8Confident37 Ų3781.6 Ų81.623%0.22747%0.474CS..  trans-76.2137.4176.742.90000112.7P130 L141P130-T133 HydrophobicContact CG-CG2 3.77Å; P130-T133 PolarHBondContact O-OG1 3.38Å; T133-L141 HydrophobicContact CG2-CD1 3.95Å
134P71.4Confident71.7Confident74 Ų7481.3 Ų81.348%0.48147%0.471SS..  trans-62.7136175.4-17.328.9000111.1P136 L137P134-P136 VanDerWaalsContact C-N 3.32Å; P134-P136 HydrophobicContact CB-CG 4.49Å; P134-P136 WeakPolarHBondContact O-CD 3.47Å; P134-P136 VanDerWaalsContact O-N 3.09Å; P134-L137 HydrophobicContact CB-CD1 4.43Å; P134-L137 HydrophobicContact CG-CD1 4.06Å; P134-L137 PolarHBondContact O-N 3.3Å
135T74.9Confident72.7Confident121 Ų12183.1 Ų83.174%0.74248%0.477SS*.THydrogen-bonded Turntrans-47.5-35.8-177.247.90000116.6I138T135-I138 HydrophobicContact CG2-CD1 4.49Å
136P81.4Confident73.6Confident104 Ų10481.1 Ų81.168%0.67547%0.469SS*.THydrogen-bonded Turntrans-75.9-21.9178.327-34.4000114.7P134P134-P136 VanDerWaalsContact C-N 3.32Å; P134-P136 HydrophobicContact CB-CG 4.49Å; P134-P136 WeakPolarHBondContact O-CD 3.47Å; P134-P136 VanDerWaalsContact O-N 3.09Å
137L79.1Confident74.7Confident106 Ų10682.5 Ų82.556%0.55547%0.468SS*.THydrogen-bonded Turntrans-89.4-11.5-176.7-68.8169.6000113.3P134 M140 L141P134-L137 HydrophobicContact CB-CD1 4.43Å; P134-L137 HydrophobicContact CG-CD1 4.06Å; P134-L137 PolarHBondContact O-N 3.3Å; L137-M140 PolarHBondContact O-N 3.31Å; L137-L141 PolarHBondContact O-N 3.38Å; L137-L141 VanDerWaalsContact O-N 3.15Å
138I78.3Confident75.6Confident47 Ų4779.7 Ų79.724%0.24146%0.461CS..Hα-helixtrans-55.3-48.7-176.9-63.6177000112.7L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 3.93Å; L129-I138 HydrophobicContact CD2-CD1 4.25Å; L129-I138 HydrophobicContact CD2-CG1 4.4Å; L129-I138 HydrophobicContact CD2-CG2 3.83Å; L129-I138 HydrophobicContact CG-CG2 4.15Å; T135-I138 HydrophobicContact CG2-CD1 4.49Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.29Å; I138-L141 PolarHBondContact O-N 3.06Å; I138-V142 HydrophobicContact CG2-CG2 4.44Å; I138-V142 WeakPolarHBondContact O-CG2 3.32Å; I138-V142 PolarHBondContact O-N 2.64Å; I138-V142 VanDerWaalsContact O-N 3.14Å
139P78.6Confident76.6Confident85 Ų8580 Ų8055%0.55246%0.463SS*.Hα-helixtrans-64.3-37.5-175.4-20.933.6000112.7I143P139-I143 WeakPolarHBondContact O-CG1 3.39Å; P139-I143 PolarHBondContact O-N 3.21Å
140M82.6Confident77.5Confident117 Ų11782.1 Ų82.158%0.57648%0.475SS*.Hα-helixtrans-68.7-41.3178.8-173.964.3-171.900111.4L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.31Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.29Å; M140-I143 PolarHBondContact O-N 3.43Å; M140-I144 HydrophobicContact CE-CD1 3.97Å; M140-I144 HydrophobicContact CE-CG1 4.19Å; M140-I144 HydrophobicContact CG-CD1 4.15Å; M140-I144 WeakPolarHBondContact O-CG1 2.98Å; M140-I144 PolarHBondContact O-N 3.08Å; M140-I144 VanDerWaalsContact O-N 3.13Å
141L83.9Confident78.6Confident49 Ų4983.6 Ų83.626%0.25748%0.478SS..Hα-helixtrans-66.6-40.3-178.3-169.6148.2000112.1F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.48Å; P130-L141 HydrophobicContact CG-CD1 3.83Å; P130-L141 HydrophobicContact CG-CD2 3.99Å; T133-L141 HydrophobicContact CG2-CD1 3.95Å; L137-L141 PolarHBondContact O-N 3.38Å; L137-L141 VanDerWaalsContact O-N 3.15Å; I138-L141 PolarHBondContact O-N 3.06Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.96Å; L141-I144 PolarHBondContact O-N 2.96Å; L141-E145 PolarHBondContact O-N 2.96Å
142V80.8Confident79.7Confident46 Ų4677.2 Ų77.228%0.27945%0.448SS..Hα-helixtrans-59.5-42.1175.5174.40000111.1L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.32Å; I138-V142 HydrophobicContact CG2-CG2 4.44Å; I138-V142 WeakPolarHBondContact O-CG2 3.32Å; I138-V142 PolarHBondContact O-N 2.64Å; I138-V142 VanDerWaalsContact O-N 3.14Å; V142-E145 PolarHBondContact O-N 3.33Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.33Å; V142-T146 PolarHBondContact O-N 3.36Å; V142-T146 PolarHBondContact O-OG1 3.46Å; V142-T146 VanDerWaalsContact O-OG1 3.06Å
143I84.4Confident80.5Confident92 Ų9273.8 Ų73.847%0.47241%0.41SS..Hα-helixtrans-62.5-45.3177.5-66.3167.1000110.4P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.39Å; P139-I143 PolarHBondContact O-N 3.21Å; M140-I143 PolarHBondContact O-N 3.43Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.96Å; I143-E145 PolarHBondContact O-N 3.08Å; I143-T146 WeakPolarHBondContact CA-OG1 3.33Å; I143-T146 PolarHBondContact O-N 3.46Å; I143-T146 PolarHBondContact O-OG1 2.99Å; I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CD1 3.4Å; I143-I147 VanDerWaalsContact O-CG1 3.26Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 2.99Å
144I85.1Confident81.1Confident93 Ų9375.8 Ų75.848%0.47742%0.418SS..Hα-helixtrans-63.8-43.6179.1-64.3166.2000111.1M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.97Å; M140-I144 HydrophobicContact CE-CG1 4.19Å; M140-I144 HydrophobicContact CG-CD1 4.15Å; M140-I144 WeakPolarHBondContact O-CG1 2.98Å; M140-I144 PolarHBondContact O-N 3.08Å; M140-I144 VanDerWaalsContact O-N 3.13Å; L141-I144 PolarHBondContact O-N 2.96Å; I144-I147 PolarHBondContact O-N 2.74Å; I144-S148 WeakPolarHBondContact O-CB 3.27Å; I144-S148 PolarHBondContact O-N 2.91Å
145E83.3Confident81.7Confident57 Ų5774.2 Ų74.227%0.26641%0.411SS..Hα-helixtrans-66.7-40.4-178.8-167.862.4-161.900111.7H127 F128 L141 V142 I143 I147 S148 L149H127-E145 IonicContact CE1-OE1 3.86Å; H127-E145 IonicContact ND1-OE1 3.89Å; F128-E145 HydrophobicContact CD1-CB 4.28Å; F128-E145 HydrophobicContact CD1-CG 3.85Å; L141-E145 PolarHBondContact O-N 2.96Å; V142-E145 PolarHBondContact O-N 3.33Å; I143-E145 PolarHBondContact O-N 3.08Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 2.98Å; E145-S148 WeakPolarHBondContact O-CB 3.25Å; E145-S148 PolarHBondContact O-N 2.97Å; E145-L149 WeakPolarHBondContact O-CB 3.35Å; E145-L149 PolarHBondContact O-N 3.43Å
146T80.6Confident82Confident52 Ų5268.8 Ų68.832%0.31938%0.378SS..Hα-helixtrans-63-38.9174.355.60000112.3F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.19Å; F128-T146 HydrophobicContact CE1-CG2 3.96Å; F128-T146 HydrophobicContact CZ-CG2 4.46Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.33Å; V142-T146 PolarHBondContact O-N 3.36Å; V142-T146 PolarHBondContact O-OG1 3.46Å; V142-T146 VanDerWaalsContact O-OG1 3.06Å; I143-T146 WeakPolarHBondContact CA-OG1 3.33Å; I143-T146 PolarHBondContact O-N 3.46Å; I143-T146 PolarHBondContact O-OG1 2.99Å; T146-L150 WeakPolarHBondContact O-CG 3.27Å; T146-L150 PolarHBondContact O-N 3.26Å
147I84.7Confident82Confident85 Ų8563.8 Ų63.844%0.43635%0.345SS..Hα-helixtrans-67.3-43.7174.4-68167.3000110.8I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CD1 3.4Å; I143-I147 VanDerWaalsContact O-CG1 3.26Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 2.99Å; I144-I147 PolarHBondContact O-N 2.74Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 2.98Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.31Å; I147-L150 PolarHBondContact O-N 2.99Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.27Å; I147-I151 PolarHBondContact O-N 3.46Å
148S82.8Confident82.4Confident52 Ų5261.7 Ų61.736%0.36434%0.337SS..Hα-helixtrans-57.4-46.1178.1-176.80000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.27Å; I144-S148 PolarHBondContact O-N 2.91Å; E145-S148 WeakPolarHBondContact O-CB 3.25Å; E145-S148 PolarHBondContact O-N 2.97Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.37Å; S148-I151 PolarHBondContact O-N 2.89Å; S148-Q152 PolarHBondContact O-N 3.12Å; S148-Q152 VanDerWaalsContact O-N 3.12Å
149L81.6Confident82.8Confident43 Ų4364.2 Ų64.223%0.22534%0.343CS..Hα-helixtrans-60.7-36.2177.6-174.6124.1000112.2W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.06Å; W109-L149 HydrophobicContact CZ2-CD2 3.43Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.43Å; W109-L149 HydrophobicContact CZ2-CG 3.88Å; W109-L149 VanDerWaalsContact CZ2-O 3.26Å; W109-L149 WeakPolarHBondContact CZ2-O 3.36Å; W109-L149 PolarHBondContact NE1-O 3.18Å; F128-L149 HydrophobicContact CE1-CD1 4.47Å; E145-L149 WeakPolarHBondContact O-CB 3.35Å; E145-L149 PolarHBondContact O-N 3.43Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.31Å; L149-P153 WeakPolarHBondContact O-CD 3.49Å
150L81.4Confident82.9Confident110 Ų11060.2 Ų60.258%0.57632%0.317SS*.Hα-helixtrans-77.9-34.7176.9-71.2173.6000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.78Å; W109-L150 HydrophobicContact CZ2-CD2 4.32Å; T146-L150 WeakPolarHBondContact O-CG 3.27Å; T146-L150 PolarHBondContact O-N 3.26Å; I147-L150 PolarHBondContact O-N 2.99Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.37Å; L150-P153 WeakPolarHBondContact O-CD 3.45Å; L150-P153 WeakPolarHBondContact O-CG 3.37Å
151I84.7Confident82.9Confident99 Ų9955.3 Ų55.351%0.50829%0.294SS..Hα-helixtrans-72.5-31.8-179.4-70.2173.5000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.27Å; I147-I151 PolarHBondContact O-N 3.46Å; S148-I151 PolarHBondContact O-N 2.89Å; I151-M154 WeakPolarHBondContact O-CB 3.09Å; I151-M154 PolarHBondContact O-N 2.95Å; I151-M154 VanDerWaalsContact O-N 3.13Å; I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.2Å; I151-A155 PolarHBondContact O-N 3.35Å
152Q82.6Confident83Confident70 Ų7054.9 Ų54.933%0.32730%0.298SS..Hα-helixtrans-51-52.7-177.4-107.6173.7-1700116.1S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.12Å; S148-Q152 VanDerWaalsContact O-N 3.12Å; Q152-M154 VanDerWaalsContact C-N 3.29Å; Q152-M154 PolarHBondContact O-N 2.87Å; Q152-A155 PolarHBondContact O-N 3.4Å; Q152-L156 WeakPolarHBondContact O-CB 3.46Å; Q152-L156 PolarHBondContact O-N 2.86Å; Q152-Y221 HydrophobicContact CG-CE1 4.36Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.14Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.35Å; Q152-Y221 PolarHBondContact NE2-OH 3.1Å; Q152-Y221 PolarHBondContact OE1-OH 3.41Å
153P78.2Confident83.3Confident10 Ų1055.5 Ų55.57%0.06530%0.299CS..Hα-helixtrans-64.6-34.4178.324-34.5000112.2W109 L149 L150 L156 A157W109-P153 HydrophobicContact CB-CB 3.91Å; W109-P153 HydrophobicContact CB-CG 4.4Å; W109-P153 HydrophobicContact CD2-CB 4.3Å; W109-P153 HydrophobicContact CD2-CG 3.81Å; W109-P153 HydrophobicContact CE3-CG 4.34Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.81Å; L149-P153 WeakPolarHBondContact O-CD 3.49Å; L150-P153 WeakPolarHBondContact O-CD 3.45Å; L150-P153 WeakPolarHBondContact O-CG 3.37Å; P153-L156 PolarHBondContact O-N 3.34Å; P153-A157 PolarHBondContact O-N 3.44Å
154M83.3Confident83.3Confident80 Ų8051.4 Ų51.439%0.39428%0.278SS..Hα-helixtrans-65.7-46.8174.8-17071.3-168.600110.9L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.13Å; L102-M154 HydrophobicContact CD1-CE 4.29Å; L102-M154 HydrophobicContact CD1-SD 3.31Å; L102-M154 WeakPolarHBondContact CD1-SD 3.46Å; L102-M154 HydrophobicContact CD2-SD 4.15Å; L102-M154 HydrophobicContact CG-SD 4.38Å; I151-M154 WeakPolarHBondContact O-CB 3.09Å; I151-M154 PolarHBondContact O-N 2.95Å; I151-M154 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.29Å; Q152-M154 PolarHBondContact O-N 2.87Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 2.91Å; M154-A157 PolarHBondContact O-N 3.47Å; M154-V158 HydrophobicContact CE-CG2 4.06Å; M154-V158 HydrophobicContact CG-CG2 4.46Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.32Å; M154-V158 PolarHBondContact O-N 3.19Å
155A84.4Confident83.4Confident40 Ų4048.8 Ų48.833%0.33127%0.267SS..Hα-helixtrans-61.7-3717900000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.2Å; I151-A155 PolarHBondContact O-N 3.35Å; Q152-A155 PolarHBondContact O-N 3.4Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.37Å; A155-R159 PolarHBondContact O-N 3.17Å
156L79.6Confident83.5Confident7 Ų748.6 Ų48.64%0.03728%0.275CS..Hα-helixtrans-62.3-48.4175.3-163.582.5000111.8Q152 P153 M154 R159 L160 F214 L217 V218Q152-L156 WeakPolarHBondContact O-CB 3.46Å; Q152-L156 PolarHBondContact O-N 2.86Å; P153-L156 PolarHBondContact O-N 3.34Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 2.91Å; L156-R159 PolarHBondContact O-N 2.94Å; L156-L160 PolarHBondContact O-N 2.84Å; L156-F214 HydrophobicContact CD1-CD2 4.2Å; L156-F214 HydrophobicContact CD2-CD1 4.17Å; L156-F214 HydrophobicContact CD2-CD2 3.31Å; L156-F214 HydrophobicContact CD2-CE1 4.05Å; L156-F214 HydrophobicContact CD2-CE2 3.16Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.56Å; L156-F214 HydrophobicContact CG-CD2 3.41Å; L156-F214 VanDerWaalsContact CG-CD2 3.41Å; L156-F214 HydrophobicContact CG-CE2 3.59Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L156-F214 HydrophobicContact CG-CZ 4.46Å; L156-L217 HydrophobicContact CD1-CB 3.95Å; L156-L217 HydrophobicContact CD1-CD1 3.35Å; L156-L217 HydrophobicContact CD1-CG 4.27Å; L156-V218 HydrophobicContact CD2-CG2 4.32Å
157A82.9Confident83.8Confident0 Ų046.4 Ų46.40%026%0.263CS..Hα-helixtrans-64.6-44.4179.700000111.9L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.39Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 3.29Å; L102-A157 HydrophobicContact CD1-CB 3.69Å; A105-A157 HydrophobicContact CB-CB 4.23Å; P153-A157 PolarHBondContact O-N 3.44Å; M154-A157 PolarHBondContact O-N 3.47Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.44Å; A157-L160 PolarHBondContact O-N 3.18Å; A157-T161 PolarHBondContact O-N 2.81Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 2.95Å
158V86.1Confident83.9Confident62 Ų6244 Ų4438%0.37625%0.249SC..Hα-helixtrans-63.7-38.9177.5172.80000111.3L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.93Å; M154-V158 HydrophobicContact CE-CG2 4.06Å; M154-V158 HydrophobicContact CG-CG2 4.46Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.32Å; M154-V158 PolarHBondContact O-N 3.19Å; V158-L160 VanDerWaalsContact C-N 3.31Å; V158-L160 PolarHBondContact O-N 3.44Å; V158-T161 WeakPolarHBondContact CA-OG1 3.45Å; V158-T161 PolarHBondContact O-N 3.45Å; V158-T161 PolarHBondContact O-OG1 3.05Å; V158-A162 WeakPolarHBondContact O-CB 3.04Å; V158-A162 PolarHBondContact O-N 3.35Å
159R86.6Confident84.2Confident100 Ų10043.5 Ų43.538%0.37724%0.243SC..Hα-helixtrans-60.7-42.4177.4-168.9-173.1-61.2153.92.3111.7A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.37Å; A155-R159 PolarHBondContact O-N 3.17Å; L156-R159 PolarHBondContact O-N 2.94Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.44Å; R159-N163 WeakPolarHBondContact O-CB 3.11Å; R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3.29Å; R159-N163 PolarHBondContact O-ND2 2.96Å; R159-Q210 VanDerWaalsContact C-NE2 3.28Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å
160L80.9Confident84.5Confident0 Ų045.2 Ų45.20%025%0.252CS..Hα-helixtrans-67.1-44.8179.5179.766.4000110.9I79 N83 N101 L156 A157 V158 I164 Q210I79-L160 HydrophobicContact CG2-CD1 4.08Å; I79-L160 HydrophobicContact CG2-CD2 4.17Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.26Å; N101-L160 HydrophobicContact CB-CD2 4.32Å; N101-L160 VanDerWaalsContact CG-CD2 3.44Å; N101-L160 WeakPolarHBondContact ND2-CB 3.48Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.25Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.27Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.38Å; L156-L160 PolarHBondContact O-N 2.84Å; A157-L160 PolarHBondContact O-N 3.18Å; V158-L160 VanDerWaalsContact C-N 3.31Å; V158-L160 PolarHBondContact O-N 3.44Å; L160-I164 HydrophobicContact CD1-CD1 3.69Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 3.33Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.28Å; L160-Q210 HydrophobicContact CD1-CB 4.39Å; L160-Q210 HydrophobicContact CD1-CG 3.41Å; L160-Q210 VanDerWaalsContact CD1-CG 3.41Å; L160-Q210 HydrophobicContact CG-CG 4.44Å
161T84Confident84.9Confident14 Ų1441.4 Ų41.49%0.08623%0.231CC..Hα-helixtrans-65.6-46177.3480000112.3T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.16Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å; N101-T161 HydrophobicContact CB-CG2 4.31Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.37Å; N101-T161 PolarHBondContact ND2-N 3.28Å; A157-T161 PolarHBondContact O-N 2.81Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 2.95Å; V158-T161 WeakPolarHBondContact CA-OG1 3.45Å; V158-T161 PolarHBondContact O-N 3.45Å; V158-T161 PolarHBondContact O-OG1 3.05Å; T161-N163 PolarHBondContact O-N 3.23Å; T161-I164 PolarHBondContact O-N 3.41Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.04Å; T161-T165 VanDerWaalsContact O-CG2 3.22Å; T161-T165 WeakPolarHBondContact O-CG2 3.3Å; T161-T165 PolarHBondContact O-N 3.48Å; T161-T165 PolarHBondContact O-OG1 3.12Å
162A84.3Confident85.1Confident41 Ų4140.9 Ų40.934%0.33923%0.226SC..Hα-helixtrans-63.6-44.2-172.700000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.04Å; V158-A162 PolarHBondContact O-N 3.35Å; A162-T165 PolarHBondContact O-OG1 3.16Å; A162-A166 WeakPolarHBondContact O-CB 3.38Å; A162-A166 PolarHBondContact O-N 3.07Å
163N87.6Confident85.4Confident59 Ų5941.9 Ų41.932%0.31623%0.234SC..Hα-helixtrans-64.2-48.4-179.6-69.4-6.8000111.3R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.11Å; R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3.29Å; R159-N163 PolarHBondContact O-ND2 2.96Å; T161-N163 PolarHBondContact O-N 3.23Å; N163-G167 PolarHBondContact O-N 3.3Å; N163-V206 HydrophobicContact CB-CG1 4.04Å
164I84.4Confident86Confident6 Ų642.9 Ų42.93%0.03124%0.238CC..Hα-helixtrans-70.7-39.4-176.6-59.6172.7000111.6N83 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.3Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.29Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.44Å; T96-I164 HydrophobicContact CG2-CB 4.41Å; T96-I164 HydrophobicContact CG2-CG2 3.68Å; L160-I164 HydrophobicContact CD1-CD1 3.69Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 3.33Å; T161-I164 PolarHBondContact O-N 3.41Å; I164-H168 WeakPolarHBondContact O-CB 3.27Å; I164-H168 PolarHBondContact O-N 3.26Å; I164-H168 VanDerWaalsContact O-N 3.12Å
165T86.6Confident86.3Confident37 Ų3740.2 Ų40.223%0.22723%0.231CC..Hα-helixtrans-68.2-46.1177.253.20000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.39Å; F9-T165 HydrophobicContact CE1-CG2 4.07Å; T96-T165 HydrophobicContact CG2-CG2 3.76Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.04Å; T161-T165 VanDerWaalsContact O-CG2 3.22Å; T161-T165 WeakPolarHBondContact O-CG2 3.3Å; T161-T165 PolarHBondContact O-N 3.48Å; T161-T165 PolarHBondContact O-OG1 3.12Å; A162-T165 PolarHBondContact O-OG1 3.16Å; T165-H168 PolarHBondContact O-N 3.38Å; T165-L169 WeakPolarHBondContact O-CB 3.37Å; T165-L169 WeakPolarHBondContact O-CG 3.4Å; T165-L169 PolarHBondContact O-N 3.15Å
166A86.7Confident86.5Confident54 Ų5441.1 Ų41.145%0.44624%0.235SC..Hα-helixtrans-64.6-42.7178.400000111.4A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.38Å; A162-A166 PolarHBondContact O-N 3.07Å; A166-L169 PolarHBondContact O-N 3.4Å; A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.41Å; A166-L170 PolarHBondContact O-N 2.73Å
167G87.3Confident86.9Confident6 Ų642.6 Ų42.66%0.06225%0.248CC..Hα-helixtrans-59.1-47.8176.500000112.6N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.3Å; G167-L170 PolarHBondContact O-N 3.22Å; G167-M171 WeakPolarHBondContact O-CB 3.48Å; G167-M171 WeakPolarHBondContact O-CG 3.4Å; G167-M171 PolarHBondContact O-N 3.23Å; G167-E203 WeakPolarHBondContact CA-OE2 3.37Å
168H87.1Confident87.3Confident33 Ų3343.5 Ų43.515%0.15325%0.254CS..Hα-helixtrans-62.6-44.2175.7-102.6-86.7000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.15Å; F9-H168 HydrophobicContact CZ-CB 3.84Å; G86-H168 PolarHBondContact O-CE1 3.12Å; G86-H168 VanDerWaalsContact O-CE1 3.3Å; G86-H168 PolarHBondContact O-NE2 3.37Å; I164-H168 WeakPolarHBondContact O-CB 3.27Å; I164-H168 PolarHBondContact O-N 3.26Å; I164-H168 VanDerWaalsContact O-N 3.12Å; T165-H168 PolarHBondContact O-N 3.38Å; H168-L170 VanDerWaalsContact C-N 3.31Å; H168-L170 PolarHBondContact O-N 2.74Å; H168-M171 PolarHBondContact O-N 3.05Å; H168-H172 PolarHBondContact O-N 2.96Å
169L87.4Confident87.4Confident42 Ų4246.8 Ų46.822%0.2227%0.268CS..Hα-helixtrans-61-42.6175.7-77.5170.6000111.4F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.16Å; F6-L169 HydrophobicContact CE1-CD2 4.06Å; F6-L169 HydrophobicContact CZ-CD2 4.49Å; F9-L169 HydrophobicContact CE2-CD1 4.49Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.78Å; F9-L169 HydrophobicContact CZ-CD2 4.31Å; F9-L169 HydrophobicContact CZ-CG 3.94Å; T165-L169 WeakPolarHBondContact O-CB 3.37Å; T165-L169 WeakPolarHBondContact O-CG 3.4Å; T165-L169 PolarHBondContact O-N 3.15Å; A166-L169 PolarHBondContact O-N 3.4Å; L169-H172 PolarHBondContact O-N 3.5Å; L169-L173 WeakPolarHBondContact O-CB 3.25Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.5Å; L169-L173 PolarHBondContact O-N 3.46Å
170L89.4Confident87.5Confident80 Ų8044.2 Ų44.242%0.41927%0.268SS..Hα-helixtrans-68.1-41.1-179.3-157.1151.6000111.1A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.41Å; A166-L170 PolarHBondContact O-N 2.73Å; G167-L170 PolarHBondContact O-N 3.22Å; H168-L170 VanDerWaalsContact C-N 3.31Å; H168-L170 PolarHBondContact O-N 2.74Å; L170-H172 VanDerWaalsContact C-N 3.35Å; L170-H172 PolarHBondContact O-N 3Å; L170-L173 PolarHBondContact O-N 3.38Å; L170-I174 HydrophobicContact CD2-CD1 3.48Å; L170-I174 VanDerWaalsContact CD2-CD1 3.48Å; L170-I174 HydrophobicContact CD2-CG1 4.11Å; L170-I174 WeakPolarHBondContact O-CG1 3.44Å; L170-I174 PolarHBondContact O-N 3.15Å; L170-L199 HydrophobicContact CB-CD2 4.4Å; L170-L199 HydrophobicContact CD2-CD1 3.64Å; L170-L199 HydrophobicContact CD2-CD2 3.19Å; L170-L199 HydrophobicContact CD2-CG 4.02Å; L170-L199 HydrophobicContact CG-CD2 4.38Å
171M89.8Confident87.8Confident30 Ų3047.1 Ų47.115%0.14828%0.283CS..Hα-helixtrans-59.2-43.6171.7-75.5-172.3-68.200111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4.07Å; G167-M171 WeakPolarHBondContact O-CB 3.48Å; G167-M171 WeakPolarHBondContact O-CG 3.4Å; G167-M171 PolarHBondContact O-N 3.23Å; H168-M171 PolarHBondContact O-N 3.05Å; M171-G175 PolarHBondContact O-N 2.88Å; M171-L199 HydrophobicContact CB-CD2 4.3Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.15Å; M171-T200 HydrophobicContact SD-CG2 3.94Å; M171-E203 HydrophobicContact CE-CG 4.15Å
172H88.6Confident88Confident87 Ų8749.5 Ų49.540%0.40330%0.3SS..Hα-helixtrans-67.5-41.7178.5-169.8-58.2000112.2L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.44Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.29Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.39Å; H168-H172 PolarHBondContact O-N 2.96Å; L169-H172 PolarHBondContact O-N 3.5Å; L170-H172 VanDerWaalsContact C-N 3.35Å; L170-H172 PolarHBondContact O-N 3Å; H172-G175 PolarHBondContact O-N 3.5Å; H172-S176 PolarHBondContact O-N 2.75Å; H172-S176 PolarHBondContact O-OG 3.04Å
173L89.3Confident88.1Confident91 Ų9153.2 Ų53.248%0.47632%0.319SS..Hα-helixtrans-63.3-48.3178.4-74.4171.1000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.22Å; L5-L173 HydrophobicContact CD2-CD2 4.31Å; L169-L173 WeakPolarHBondContact O-CB 3.25Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.5Å; L169-L173 PolarHBondContact O-N 3.46Å; L170-L173 PolarHBondContact O-N 3.38Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.39Å; L173-S176 PolarHBondContact O-N 3.3Å; L173-S176 PolarHBondContact O-OG 2.84Å; L173-A177 PolarHBondContact O-N 3.05Å
174I90.8Very high88.2Confident32 Ų3255.5 Ų55.516%0.16433%0.33CS..Hα-helixtrans-64.7-40.2176.8-64.4-174.7000110.7L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.48Å; L170-I174 VanDerWaalsContact CD2-CD1 3.48Å; L170-I174 HydrophobicContact CD2-CG1 4.11Å; L170-I174 WeakPolarHBondContact O-CG1 3.44Å; L170-I174 PolarHBondContact O-N 3.15Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.4Å; I174-A177 CarbonylContact O-C 3.59Å; I174-A177 WeakPolarHBondContact O-CB 3.39Å; I174-A177 PolarHBondContact O-N 2.71Å; I174-A177 VanDerWaalsContact O-N 3.14Å; I174-T178 HydrophobicContact CG2-CG2 4.39Å; I174-T178 WeakPolarHBondContact O-CG2 3.3Å; I174-T178 PolarHBondContact O-N 2.89Å; I174-T178 PolarHBondContact O-OG1 2.97Å; I174-I192 HydrophobicContact CG2-CG2 3.81Å; I174-I195 HydrophobicContact CD1-CG2 4.08Å; I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.94Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L199 HydrophobicContact CD1-CD2 4.15Å
175G89.4Confident88.3Confident24 Ų2459.8 Ų59.825%0.24735%0.353CS..Hα-helixtrans-61.7-36.8174.900000113.6M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 2.88Å; H172-G175 PolarHBondContact O-N 3.5Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.39Å; G175-T178 WeakPolarHBondContact CA-OG1 3.46Å; G175-T178 PolarHBondContact O-OG1 2.95Å; G175-L179 PolarHBondContact O-N 3.47Å
176S88.6Confident88.4Confident59 Ų5964.9 Ų64.941%0.41338%0.378SS..Hα-helixtrans-70.6-35.2173.471.70000112.2H172 L173 I174 L179 A180H172-S176 PolarHBondContact O-N 2.75Å; H172-S176 PolarHBondContact O-OG 3.04Å; L173-S176 PolarHBondContact O-N 3.3Å; L173-S176 PolarHBondContact O-OG 2.84Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.4Å; S176-L179 PolarHBondContact O-N 3.46Å; S176-A180 WeakPolarHBondContact O-CB 3.22Å; S176-A180 PolarHBondContact O-N 3.43Å
177A88Confident88.5Confident37 Ų3766.9 Ų66.931%0.30639%0.386SS..Hα-helixtrans-68.7-40.7175.900000111.9L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 3.05Å; I174-A177 CarbonylContact O-C 3.59Å; I174-A177 WeakPolarHBondContact O-CB 3.39Å; I174-A177 PolarHBondContact O-N 2.71Å; I174-A177 VanDerWaalsContact O-N 3.14Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.32Å; A177-A180 PolarHBondContact O-N 3.06Å; A177-M181 WeakPolarHBondContact O-CB 3.31Å; A177-M181 WeakPolarHBondContact O-CG 3.48Å; A177-M181 PolarHBondContact O-N 3Å
178T90.3Very high88.5Confident20 Ų2068.3 Ų68.312%0.12340%0.396CS..Hα-helixtrans-61.5-42.9174.356.40000110.8I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.39Å; I174-T178 WeakPolarHBondContact O-CG2 3.3Å; I174-T178 PolarHBondContact O-N 2.89Å; I174-T178 PolarHBondContact O-OG1 2.97Å; G175-T178 WeakPolarHBondContact CA-OG1 3.46Å; G175-T178 PolarHBondContact O-OG1 2.95Å; T178-M181 PolarHBondContact O-N 2.99Å; T178-S182 WeakPolarHBondContact O-CB 3.44Å; T178-S182 PolarHBondContact O-N 3.31Å; T178-I192 HydrophobicContact CG2-CB 3.9Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å
179L89.3Confident88.7Confident130 Ų13067.9 Ų67.968%0.68140%0.395SS*.Hα-helixtrans-65.1-42.9178.6-166.2133000112G175 S176 A177 S182G175-L179 PolarHBondContact O-N 3.47Å; S176-L179 PolarHBondContact O-N 3.46Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.32Å; L179-S182 PolarHBondContact O-N 2.86Å; L179-S182 PolarHBondContact O-OG 2.96Å
180A88.6Confident88.9Confident46 Ų4671.5 Ų71.538%0.3841%0.414SS..Hα-helixtrans-63.2-45.6174.700000112.1S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.22Å; S176-A180 PolarHBondContact O-N 3.43Å; A177-A180 PolarHBondContact O-N 3.06Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.46Å; A180-T183 PolarHBondContact O-N 3.3Å; A180-T183 PolarHBondContact O-OG1 2.87Å
181M87.3Confident89Confident62 Ų6272.6 Ų72.631%0.30542%0.419SS..Hα-helixtrans-69.2-25.8-178.7-68.5-66.4114.700113.3A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.31Å; A177-M181 WeakPolarHBondContact O-CG 3.48Å; A177-M181 PolarHBondContact O-N 3Å; T178-M181 PolarHBondContact O-N 2.99Å; M181-T183 PolarHBondContact O-N 3.33Å; M181-T183 VanDerWaalsContact O-N 3.14Å; M181-I184 HydrophobicContact CE-CD1 3.6Å; M181-I184 PolarHBondContact O-N 3.42Å; M181-I184 HydrophobicContact SD-CD1 4.24Å; M181-N185 PolarHBondContact O-N 3.38Å; M181-N185 VanDerWaalsContact O-N 3.08Å; M181-T189 PolarHBondContact O-OG1 2.9Å; M181-T189 VanDerWaalsContact O-OG1 3.1Å; M181-I192 HydrophobicContact CB-CD1 4.21Å; M181-I192 HydrophobicContact CG-CD1 3.67Å
182S87.5Confident89.1Confident64 Ų6473.1 Ų73.145%0.44842%0.422SS..Hα-helixtrans-56.7-29.6176.676.60000113T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.44Å; T178-S182 PolarHBondContact O-N 3.31Å; L179-S182 PolarHBondContact O-N 2.86Å; L179-S182 PolarHBondContact O-OG 2.96Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.46Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.42Å; S182-T189 PolarHBondContact N-OG1 3.46Å
183T87.2Confident89.3Confident119 Ų11974 Ų7473%0.7343%0.425SS*.THydrogen-bonded Turntrans-81.7-19.3179.266.40000113.6A180 M181A180-T183 PolarHBondContact O-N 3.3Å; A180-T183 PolarHBondContact O-OG1 2.87Å; M181-T183 PolarHBondContact O-N 3.33Å; M181-T183 VanDerWaalsContact O-N 3.14Å
184I88.1Confident89.5Confident106 Ų10673.3 Ų73.354%0.54443%0.425SS..THydrogen-bonded Turntrans-99-59.4-173-59169000110.4M181M181-I184 HydrophobicContact CE-CD1 3.6Å; M181-I184 PolarHBondContact O-N 3.42Å; M181-I184 HydrophobicContact SD-CD1 4.24Å
185N88Confident89.7Confident96 Ų9675.7 Ų75.751%0.51344%0.437SS..  trans-147.1124.6-173-83.8-25.5000111.3M181 S188 T189M181-N185 PolarHBondContact O-N 3.38Å; M181-N185 VanDerWaalsContact O-N 3.08Å; N185-S188 VanDerWaalsContact CB-OG 3.24Å; N185-S188 WeakPolarHBondContact CB-OG 3.46Å; N185-S188 PolarHBondContact O-OG 2.98Å; N185-T189 PolarHBondContact O-N 2.95Å; N185-T189 PolarHBondContact O-OG1 3.37Å
186L87.3Confident89.8Confident145 Ų14576 Ų7676%0.75943%0.433SS*.Hα-helixtrans-63-45.1177.6-160.180.7000114.3S188 T189 L190L186-S188 PolarHBondContact O-N 3.34Å; L186-T189 WeakPolarHBondContact O-CB 3.27Å; L186-T189 PolarHBondContact O-N 3.25Å; L186-L190 PolarHBondContact O-N 3.28Å; L186-L190 VanDerWaalsContact O-N 3.17Å
187P88.8Confident90Very high95 Ų9576.9 Ų76.962%0.61743%0.432SS*.Hα-helixtrans-69.1-36.7-175.225.1-33.1000113T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.31Å; P187-T189 PolarHBondContact O-N 2.61Å; P187-L190 PolarHBondContact O-N 3.29Å; P187-I191 PolarHBondContact O-N 3.32Å
188S87.2Confident90.3Very high37 Ų3780.9 Ų80.926%0.25945%0.448SS..Hα-helixtrans-66.9-34.8174.151.30000112N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.24Å; N185-S188 WeakPolarHBondContact CB-OG 3.46Å; N185-S188 PolarHBondContact O-OG 2.98Å; L186-S188 PolarHBondContact O-N 3.34Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.87Å; S188-I191 PolarHBondContact O-N 3.37Å; S188-I192 WeakPolarHBondContact O-CG1 3.29Å; S188-I192 PolarHBondContact O-N 3.34Å; S188-I192 VanDerWaalsContact O-N 3.12Å
189T91.6Very high90.4Very high23 Ų2381 Ų8114%0.14145%0.448CS..Hα-helixtrans-61.8-41.3175.6-58.70000111.3M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.9Å; M181-T189 VanDerWaalsContact O-OG1 3.1Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.42Å; S182-T189 PolarHBondContact N-OG1 3.46Å; N185-T189 PolarHBondContact O-N 2.95Å; N185-T189 PolarHBondContact O-OG1 3.37Å; L186-T189 WeakPolarHBondContact O-CB 3.27Å; L186-T189 PolarHBondContact O-N 3.25Å; P187-T189 VanDerWaalsContact C-N 3.31Å; P187-T189 PolarHBondContact O-N 2.61Å; T189-I191 VanDerWaalsContact C-N 3.32Å; T189-I191 PolarHBondContact O-N 3.11Å; T189-I192 PolarHBondContact O-N 2.81Å; T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.3Å; T189-F193 PolarHBondContact O-N 3.49Å
190L91Very high90.5Very high119 Ų11977.3 Ų77.362%0.62343%0.43SS*.Hα-helixtrans-60.2-43177.3-163.678.9000111.5L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 3.28Å; L186-L190 VanDerWaalsContact O-N 3.17Å; P187-L190 PolarHBondContact O-N 3.29Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.87Å; L190-F193 PolarHBondContact O-N 3.21Å; L190-T194 WeakPolarHBondContact O-CG2 3.46Å; L190-T194 PolarHBondContact O-N 3.44Å
191I92.6Very high90.7Very high103 Ų10379.9 Ų79.953%0.52844%0.437SS..Hα-helixtrans-63.4-45.3178.6-62.3166.4000111.3P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 3.32Å; S188-I191 PolarHBondContact O-N 3.37Å; T189-I191 VanDerWaalsContact C-N 3.32Å; T189-I191 PolarHBondContact O-N 3.11Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.94Å; I191-T194 PolarHBondContact O-N 3.45Å; I191-T194 PolarHBondContact O-OG1 2.97Å; I191-I195 HydrophobicContact CG2-CD1 4.32Å; I191-I195 WeakPolarHBondContact O-CG1 3.03Å; I191-I195 PolarHBondContact O-N 3.36Å
192I92.8Very high90.9Very high41 Ų4181.8 Ų81.821%0.2145%0.447CS..Hα-helixtrans-70.1-33.5-179.9-57.3168.3000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.81Å; T178-I192 HydrophobicContact CG2-CB 3.9Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å; M181-I192 HydrophobicContact CB-CD1 4.21Å; M181-I192 HydrophobicContact CG-CD1 3.67Å; S188-I192 WeakPolarHBondContact O-CG1 3.29Å; S188-I192 PolarHBondContact O-N 3.34Å; S188-I192 VanDerWaalsContact O-N 3.12Å; T189-I192 PolarHBondContact O-N 2.81Å; I192-I195 WeakPolarHBondContact O-CB 3.11Å; I192-I195 PolarHBondContact O-N 2.96Å; I192-L196 PolarHBondContact O-N 2.94Å
193F92.3Very high91Very high105 Ų10579.3 Ų79.346%0.46143%0.429SS..Hα-helixtrans-66.2-39174.9-173.9-105.6000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.3Å; T189-F193 PolarHBondContact O-N 3.49Å; L190-F193 PolarHBondContact O-N 3.21Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.94Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.98Å; F193-L196 HydrophobicContact CD2-CD2 4.43Å; F193-L196 WeakPolarHBondContact O-CB 3.26Å; F193-L196 PolarHBondContact O-N 3.42Å; F193-I197 HydrophobicContact CD1-CD1 3.86Å; F193-I197 HydrophobicContact CE1-CD1 3.51Å; F193-I197 HydrophobicContact CE1-CG1 4.28Å; F193-I197 HydrophobicContact CZ-CD1 4.12Å; F193-I197 HydrophobicContact CZ-CG1 4.47Å; F193-I197 PolarHBondContact O-N 2.81Å
194T93.3Very high91.2Very high77 Ų7777.7 Ų77.747%0.47242%0.415SS..Hα-helixtrans-64.9-37.1173.258.90000111.9L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.46Å; L190-T194 PolarHBondContact O-N 3.44Å; I191-T194 PolarHBondContact O-N 3.45Å; I191-T194 PolarHBondContact O-OG1 2.97Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-I197 PolarHBondContact O-N 3.19Å; T194-L198 PolarHBondContact O-N 3.48Å
195I93.9Very high91.3Very high81 Ų8174.7 Ų74.742%0.41541%0.406SS..Hα-helixtrans-62.2-42.3173-65.5166.8000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.08Å; I191-I195 HydrophobicContact CG2-CD1 4.32Å; I191-I195 WeakPolarHBondContact O-CG1 3.03Å; I191-I195 PolarHBondContact O-N 3.36Å; I192-I195 WeakPolarHBondContact O-CB 3.11Å; I192-I195 PolarHBondContact O-N 2.96Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.98Å; I195-I197 PolarHBondContact O-N 2.88Å; I195-L198 PolarHBondContact O-N 3.14Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 PolarHBondContact O-N 2.98Å
196L92.8Very high91.5Very high32 Ų3271.9 Ų71.917%0.16839%0.392CS..Hα-helixtrans-59.4-45.6176-177.667.3000111.4I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.94Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I192-L196 PolarHBondContact O-N 2.94Å; F193-L196 HydrophobicContact CD2-CD2 4.43Å; F193-L196 WeakPolarHBondContact O-CB 3.26Å; F193-L196 PolarHBondContact O-N 3.42Å; T194-L196 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.25Å; L196-L199 WeakPolarHBondContact O-CB 3.44Å; L196-L199 PolarHBondContact O-N 2.83Å; L196-T200 WeakPolarHBondContact O-CG2 3.49Å; L196-T200 PolarHBondContact O-N 3.15Å
197I92.3Very high91.5Very high77 Ų7765.3 Ų65.340%0.39536%0.359SS..Hα-helixtrans-60-47.4176.3-67.6165.8000110.4F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.86Å; F193-I197 HydrophobicContact CE1-CD1 3.51Å; F193-I197 HydrophobicContact CE1-CG1 4.28Å; F193-I197 HydrophobicContact CZ-CD1 4.12Å; F193-I197 HydrophobicContact CZ-CG1 4.47Å; F193-I197 PolarHBondContact O-N 2.81Å; T194-I197 PolarHBondContact O-N 3.19Å; I195-I197 PolarHBondContact O-N 2.88Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.36Å; I197-T200 PolarHBondContact O-N 3.01Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 2.89Å; I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.23Å; I197-I201 PolarHBondContact O-N 3.16Å; I197-I201 VanDerWaalsContact O-N 3.14Å
198L94.4Very high91.5Very high121 Ų12166.4 Ų66.463%0.63436%0.359SS*.Hα-helixtrans-59.6-41.1179.5-175.465.6000111.8T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.48Å; I195-L198 PolarHBondContact O-N 3.14Å; L196-L198 PolarHBondContact O-N 3.25Å; L198-I201 PolarHBondContact O-N 3.34Å; L198-L202 PolarHBondContact O-N 2.91Å
199L92.9Very high91.7Very high22 Ų2269.2 Ų69.212%0.11537%0.37CS..Hα-helixtrans-62.6-42.8175.8-178.672.4000112.1L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.4Å; L170-L199 HydrophobicContact CD2-CD1 3.64Å; L170-L199 HydrophobicContact CD2-CD2 3.19Å; L170-L199 HydrophobicContact CD2-CG 4.02Å; L170-L199 HydrophobicContact CG-CD2 4.38Å; M171-L199 HydrophobicContact CB-CD2 4.3Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.15Å; I174-L199 HydrophobicContact CD1-CD2 4.15Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 PolarHBondContact O-N 2.98Å; L196-L199 WeakPolarHBondContact O-CB 3.44Å; L196-L199 PolarHBondContact O-N 2.83Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.36Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.29Å; L199-L202 HydrophobicContact CD1-CD2 4.48Å; L199-L202 WeakPolarHBondContact O-CB 3.32Å; L199-L202 PolarHBondContact O-N 3.14Å; L199-L202 VanDerWaalsContact O-N 3.16Å; L199-E203 PolarHBondContact O-N 3.33Å
200T90.8Very high91.6Very high52 Ų5268.6 Ų68.632%0.31937%0.366SS..Hα-helixtrans-61.5-38.4177.960.90000111.9M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.94Å; L196-T200 WeakPolarHBondContact O-CG2 3.49Å; L196-T200 PolarHBondContact O-N 3.15Å; I197-T200 PolarHBondContact O-N 3.01Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 2.89Å; T200-E203 PolarHBondContact O-N 3.09Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.4Å; T200-I204 PolarHBondContact O-N 3.44Å
201I92.1Very high91.5Very high101 Ų10163 Ų6352%0.51834%0.336SS..Hα-helixtrans-64.7-43.4175.6-64.3167.5000110.6I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.23Å; I197-I201 PolarHBondContact O-N 3.16Å; I197-I201 VanDerWaalsContact O-N 3.14Å; L198-I201 PolarHBondContact O-N 3.34Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.29Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.15Å; I201-I204 PolarHBondContact O-N 3.04Å; I201-A205 PolarHBondContact O-N 3.34Å; I201-A205 VanDerWaalsContact O-N 3.15Å
202L91.3Very high91.3Very high101 Ų10163 Ų6353%0.52933%0.331SS..Hα-helixtrans-59.6-45.3175.8179.567.1000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 2.91Å; L199-L202 HydrophobicContact CD1-CD2 4.48Å; L199-L202 WeakPolarHBondContact O-CB 3.32Å; L199-L202 PolarHBondContact O-N 3.14Å; L199-L202 VanDerWaalsContact O-N 3.16Å; L202-I204 PolarHBondContact O-N 3.48Å; L202-A205 WeakPolarHBondContact O-CB 3.28Å; L202-A205 PolarHBondContact O-N 3.04Å; L202-A205 VanDerWaalsContact O-N 3.09Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 2.96Å
203E90.4Very high91.2Very high12 Ų1263.1 Ų63.16%0.05633%0.333CS..Hα-helixtrans-67-37.2-177-161.765.2-16100112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.47Å; L87-E203 HydrophobicContact CD2-CB 4.21Å; L87-E203 HydrophobicContact CD2-CG 3.42Å; L87-E203 VanDerWaalsContact CD2-CG 3.42Å; G167-E203 WeakPolarHBondContact CA-OE2 3.37Å; M171-E203 HydrophobicContact CE-CG 4.15Å; L199-E203 PolarHBondContact O-N 3.33Å; T200-E203 PolarHBondContact O-N 3.09Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.15Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.46Å; E203-V206 PolarHBondContact O-N 2.94Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.46Å; E203-A207 PolarHBondContact O-N 3.04Å
204I90.6Very high90.9Very high85 Ų8558.1 Ų58.144%0.43631%0.311SS..Hα-helixtrans-59.1-42.9171.1-67.3165.1000110.5L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.25Å; L87-I204 HydrophobicContact CD1-CB 4.19Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.4Å; T200-I204 PolarHBondContact O-N 3.44Å; I201-I204 PolarHBondContact O-N 3.04Å; L202-I204 PolarHBondContact O-N 3.48Å; I204-L208 PolarHBondContact O-N 3.08Å
205A91.3Very high90.6Very high44 Ų4454.5 Ų54.536%0.36429%0.289SS..Hα-helixtrans-65.8-46.217800000111.5I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.34Å; I201-A205 VanDerWaalsContact O-N 3.15Å; L202-A205 WeakPolarHBondContact O-CB 3.28Å; L202-A205 PolarHBondContact O-N 3.04Å; L202-A205 VanDerWaalsContact O-N 3.09Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.46Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.13Å; A205-L208 PolarHBondContact O-N 2.9Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.43Å; A205-I209 PolarHBondContact O-N 3.01Å
206V91.3Very high90.3Very high37 Ų3753.5 Ų53.522%0.22428%0.284CS..Hα-helixtrans-61.5-42.2178.41730000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.04Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 2.96Å; E203-V206 PolarHBondContact O-N 2.94Å; V206-L208 VanDerWaalsContact C-N 3.31Å; V206-L208 PolarHBondContact O-N 3.49Å; V206-I209 PolarHBondContact O-N 2.76Å; V206-Q210 WeakPolarHBondContact O-CB 3.46Å; V206-Q210 PolarHBondContact O-N 3.46Å
207A88.9Confident90Very high6 Ų653.7 Ų53.75%0.0529%0.285CS..Hα-helixtrans-57.4-41.7178.200000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.92Å; N83-A207 PolarHBondContact ND2-O 3.14Å; L87-A207 HydrophobicContact CD1-CB 4.08Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.46Å; E203-A207 PolarHBondContact O-N 3.04Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.13Å; A207-A211 PolarHBondContact O-N 3.26Å
208L88.8Confident89.6Confident119 Ų11950.4 Ų50.462%0.62327%0.269SS*.Hα-helixtrans-76.3-44179.2-172.6141.2000112.2I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.08Å; A205-L208 PolarHBondContact O-N 2.9Å; V206-L208 VanDerWaalsContact C-N 3.31Å; V206-L208 PolarHBondContact O-N 3.49Å; L208-Q210 VanDerWaalsContact C-N 3.28Å; L208-Q210 PolarHBondContact O-N 2.94Å; L208-A211 PolarHBondContact O-N 3.21Å; L208-Y212 PolarHBondContact O-N 2.66Å
209I90.4Very high89.1Confident96 Ų9645.1 Ų45.149%0.49224%0.242SC..Hα-helixtrans-61.1-40.9177.5-68.9166.5000110.3A205 V206 A211 Y212 V213A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.43Å; A205-I209 PolarHBondContact O-N 3.01Å; V206-I209 PolarHBondContact O-N 2.76Å; I209-A211 PolarHBondContact O-N 3.4Å; I209-Y212 WeakPolarHBondContact O-CB 3.43Å; I209-Y212 PolarHBondContact O-N 3.36Å; I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.48Å; I209-V213 PolarHBondContact O-N 3.39Å
210Q88.8Confident88.7Confident10 Ų1047.8 Ų47.85%0.04726%0.256CS..Hα-helixtrans-66.7-38.3-177.8-174.163.87.300112.2R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.28Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.28Å; L160-Q210 HydrophobicContact CD1-CB 4.39Å; L160-Q210 HydrophobicContact CD1-CG 3.41Å; L160-Q210 VanDerWaalsContact CD1-CG 3.41Å; L160-Q210 HydrophobicContact CG-CG 4.44Å; V206-Q210 WeakPolarHBondContact O-CB 3.46Å; V206-Q210 PolarHBondContact O-N 3.46Å; L208-Q210 VanDerWaalsContact C-N 3.28Å; L208-Q210 PolarHBondContact O-N 2.94Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-F214 WeakPolarHBondContact O-CB 3.37Å; Q210-F214 PolarHBondContact O-N 3.48Å
211A89.1Confident88.1Confident1 Ų146.3 Ų46.31%0.00824%0.244CC..Hα-helixtrans-61-43.9172.200000111.2I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.48Å; I79-A211 HydrophobicContact CB-CB 4.07Å; I79-A211 HydrophobicContact CG2-CB 3.79Å; A80-A211 HydrophobicContact CB-CB 3.9Å; A207-A211 PolarHBondContact O-N 3.26Å; L208-A211 PolarHBondContact O-N 3.21Å; I209-A211 PolarHBondContact O-N 3.4Å; A211-T215 WeakPolarHBondContact O-CG2 3.35Å; A211-T215 PolarHBondContact O-N 2.91Å; A211-T215 PolarHBondContact O-OG1 2.88Å
212Y89.4Confident87.5Confident104 Ų10441.6 Ų41.641%0.40822%0.22SC..Hα-helixtrans-62.7-52.3177.1177.9-101.3000112.3M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.41Å; I76-Y212 HydrophobicContact CD1-CD2 4.15Å; L208-Y212 PolarHBondContact O-N 2.66Å; I209-Y212 WeakPolarHBondContact O-CB 3.43Å; I209-Y212 PolarHBondContact O-N 3.36Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 3.4Å; Y212-T215 PolarHBondContact O-N 3.33Å; Y212-T215 PolarHBondContact O-OG1 3.47Å; Y212-L216 HydrophobicContact CE1-CD1 3.63Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 3.3Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.38Å
213V89.5Confident86.9Confident43 Ų4340.7 Ų40.726%0.26121%0.213SC..Hα-helixtrans-60.4-38.1-179.9172.70000111.6I209 L217I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.48Å; I209-V213 PolarHBondContact O-N 3.39Å; V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 WeakPolarHBondContact O-CG 3.32Å; V213-L217 PolarHBondContact O-N 2.95Å
214F86.8Confident86.3Confident0 Ų043.7 Ų43.70%023%0.229CC..Hα-helixtrans-56.9-53.6175.5-172.1-82.5000111.1L75 I79 A105 L108 L156 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.15Å; L75-F214 HydrophobicContact CD2-CD1 3.85Å; L75-F214 HydrophobicContact CD2-CE1 3.79Å; L75-F214 HydrophobicContact CG-CD1 4.3Å; L75-F214 HydrophobicContact CG-CE1 4.19Å; I79-F214 HydrophobicContact CD1-CB 4.24Å; I79-F214 HydrophobicContact CD1-CD1 3.34Å; I79-F214 HydrophobicContact CD1-CD2 4.36Å; I79-F214 HydrophobicContact CD1-CE1 3.69Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.15Å; L108-F214 HydrophobicContact CD1-CE1 4.13Å; L156-F214 HydrophobicContact CD1-CD2 4.2Å; L156-F214 HydrophobicContact CD2-CD1 4.17Å; L156-F214 HydrophobicContact CD2-CD2 3.31Å; L156-F214 HydrophobicContact CD2-CE1 4.05Å; L156-F214 HydrophobicContact CD2-CE2 3.16Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.56Å; L156-F214 HydrophobicContact CG-CD2 3.41Å; L156-F214 VanDerWaalsContact CG-CD2 3.41Å; L156-F214 HydrophobicContact CG-CE2 3.59Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L156-F214 HydrophobicContact CG-CZ 4.46Å; Q210-F214 WeakPolarHBondContact O-CB 3.37Å; Q210-F214 PolarHBondContact O-N 3.48Å; Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 3.4Å; F214-L217 PolarHBondContact O-N 3.5Å; F214-V218 HydrophobicContact CD1-CG2 4.38Å; F214-V218 HydrophobicContact CE1-CG2 4.22Å; F214-V218 WeakPolarHBondContact O-CG2 3.48Å; F214-V218 PolarHBondContact O-N 3.06Å
215T88.1Confident85.4Confident0 Ų041.1 Ų41.10%022%0.216CC..Hα-helixtrans-70.2-35.1-176.859.10000113.1M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.44Å; L75-T215 HydrophobicContact CB-CG2 4.2Å; L75-T215 HydrophobicContact CD2-CG2 3.67Å; L75-T215 HydrophobicContact CG-CG2 3.93Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.46Å; I76-T215 VanDerWaalsContact CB-CG2 3.46Å; I76-T215 HydrophobicContact CG1-CG2 4.08Å; A211-T215 WeakPolarHBondContact O-CG2 3.35Å; A211-T215 PolarHBondContact O-N 2.91Å; A211-T215 PolarHBondContact O-OG1 2.88Å; Y212-T215 PolarHBondContact O-N 3.33Å; Y212-T215 PolarHBondContact O-OG1 3.47Å; T215-V218 PolarHBondContact O-N 3.47Å; T215-S219 WeakPolarHBondContact O-CB 3.34Å; T215-S219 PolarHBondContact O-N 3.48Å
216L86.9Confident84.2Confident60 Ų6040.3 Ų40.331%0.31421%0.207SC..Hα-helixtrans-64.7-42.9176.4-176.1148.3000111.2Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.63Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 3.3Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.38Å; L216-S219 WeakPolarHBondContact CA-OG 3.48Å; L216-S219 PolarHBondContact O-N 3.24Å; L216-S219 PolarHBondContact O-OG 2.67Å; L216-L220 WeakPolarHBondContact O-CB 3.44Å; L216-L220 PolarHBondContact O-N 3.26Å
217L85.5Confident83.9Confident37 Ų3740.5 Ų40.519%0.19421%0.206CC..Hα-helixtrans-64.1-42.6176.6-75.9167.4000111.4L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.95Å; L156-L217 HydrophobicContact CD1-CD1 3.35Å; L156-L217 HydrophobicContact CD1-CG 4.27Å; V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 WeakPolarHBondContact O-CG 3.32Å; V213-L217 PolarHBondContact O-N 2.95Å; F214-L217 PolarHBondContact O-N 3.5Å; L217-S219 VanDerWaalsContact C-N 3.3Å; L217-S219 PolarHBondContact O-N 3.48Å; L217-L220 PolarHBondContact O-N 3Å; L217-Y221 HydrophobicContact CB-CE2 4.14Å; L217-Y221 WeakPolarHBondContact O-CD2 3.42Å; L217-Y221 WeakPolarHBondContact O-CE2 3.31Å; L217-Y221 PolarHBondContact O-N 2.81Å
218V84.3Confident83.6Confident8 Ų842.3 Ų42.35%0.04822%0.215CC..Hα-helixtrans-59.6-42.1173177.90000111.4L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.84Å; L108-V218 HydrophobicContact CB-CG1 4.46Å; L156-V218 HydrophobicContact CD2-CG2 4.32Å; F214-V218 HydrophobicContact CD1-CG2 4.38Å; F214-V218 HydrophobicContact CE1-CG2 4.22Å; F214-V218 WeakPolarHBondContact O-CG2 3.48Å; F214-V218 PolarHBondContact O-N 3.06Å; T215-V218 PolarHBondContact O-N 3.47Å; V218-Y221 PolarHBondContact O-N 3.33Å; V218-L222 PolarHBondContact O-N 2.8Å; V218-L222 VanDerWaalsContact O-N 3.07Å
219S84.9Confident83.3Confident10 Ų1038.1 Ų38.17%0.0719%0.192CC..Hα-helixtrans-63.8-40.3175.578.50000111.9H61 T215 L216 L217 Y221 L222 H223H61-S219 PolarHBondContact CE1-O 3.33Å; H61-S219 WeakPolarHBondContact NE2-CB 3.18Å; H61-S219 PolarHBondContact NE2-O 2.78Å; T215-S219 WeakPolarHBondContact O-CB 3.34Å; T215-S219 PolarHBondContact O-N 3.48Å; L216-S219 WeakPolarHBondContact CA-OG 3.48Å; L216-S219 PolarHBondContact O-N 3.24Å; L216-S219 PolarHBondContact O-OG 2.67Å; L217-S219 VanDerWaalsContact C-N 3.3Å; L217-S219 PolarHBondContact O-N 3.48Å; S219-Y221 PolarHBondContact O-N 3.17Å; S219-L222 WeakPolarHBondContact O-CB 3.24Å; S219-L222 PolarHBondContact O-N 3.28Å; S219-L222 VanDerWaalsContact O-N 3.14Å; S219-H223 PolarHBondContact O-N 3.17Å
220L83.1Confident82.9Confident78 Ų7834.6 Ų34.641%0.40817%0.174SC..Hα-helixtrans-65.4-42.3179.3-170.6148.3000110.8L216 L217 L222 H223 D224L216-L220 WeakPolarHBondContact O-CB 3.44Å; L216-L220 PolarHBondContact O-N 3.26Å; L217-L220 PolarHBondContact O-N 3Å; L220-L222 VanDerWaalsContact C-N 3.28Å; L220-L222 PolarHBondContact O-N 3.24Å; L220-H223 WeakPolarHBondContact O-CA 3.49Å; L220-H223 WeakPolarHBondContact O-CB 3.42Å; L220-H223 PolarHBondContact O-N 3.12Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.41Å; L220-D224 PolarHBondContact O-N 3.33Å
221Y78.4Confident82.5Confident21 Ų2136.2 Ų36.28%0.08218%0.182CC..Hα-helixtrans-60.3-39.8172.7-61.6-51.5000112.5Q152 L217 V218 S219 H223 D224 N225Q152-Y221 HydrophobicContact CG-CE1 4.36Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.14Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.35Å; Q152-Y221 PolarHBondContact NE2-OH 3.1Å; Q152-Y221 PolarHBondContact OE1-OH 3.41Å; L217-Y221 HydrophobicContact CB-CE2 4.14Å; L217-Y221 WeakPolarHBondContact O-CD2 3.42Å; L217-Y221 WeakPolarHBondContact O-CE2 3.31Å; L217-Y221 PolarHBondContact O-N 2.81Å; V218-Y221 PolarHBondContact O-N 3.33Å; S219-Y221 PolarHBondContact O-N 3.17Å; Y221-H223 VanDerWaalsContact C-N 3.28Å; Y221-H223 PolarHBondContact O-N 3.14Å; Y221-D224 PolarHBondContact O-N 3.08Å; Y221-N225 VanDerWaalsContact O-CB 3.32Å; Y221-N225 WeakPolarHBondContact O-CB 3.36Å; Y221-N225 PolarHBondContact O-N 2.98Å; Y221-N225 VanDerWaalsContact O-N 3.09Å; Y221-N225 PolarHBondContact O-ND2 3.28Å
222L79.9Confident82.1Confident2 Ų238.5 Ų38.51%0.0119%0.194CC..Hα-helixtrans-63.7-39.4176-170.774.4000110.7W68 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.48Å; W68-L222 VanDerWaalsContact CB-CD2 3.48Å; W68-L222 HydrophobicContact CD2-CD1 3.88Å; W68-L222 HydrophobicContact CD2-CD2 4.21Å; W68-L222 HydrophobicContact CE3-CD1 4.2Å; W68-L222 HydrophobicContact CG-CD1 4.03Å; W68-L222 HydrophobicContact CG-CD2 3.65Å; M115-L222 HydrophobicContact SD-CD1 4.19Å; V218-L222 PolarHBondContact O-N 2.8Å; V218-L222 VanDerWaalsContact O-N 3.07Å; S219-L222 WeakPolarHBondContact O-CB 3.24Å; S219-L222 PolarHBondContact O-N 3.28Å; S219-L222 VanDerWaalsContact O-N 3.14Å; L220-L222 VanDerWaalsContact C-N 3.28Å; L220-L222 PolarHBondContact O-N 3.24Å; L222-N225 PolarHBondContact O-N 3.5Å; L222-T226 HydrophobicContact CD1-CG2 4.31Å; L222-T226 HydrophobicContact CG-CG2 4.26Å; L222-T226 WeakPolarHBondContact O-CB 3.41Å; L222-T226 WeakPolarHBondContact O-CG2 3.27Å; L222-T226 PolarHBondContact O-N 3Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 2.95Å
223H79.7Confident81.6Confident81 Ų8133.9 Ų33.938%0.37518%0.179SC..Hα-helixtrans-61.8-50176.5-174.687.3000111.4T60 S219 L220 Y221 N225 T226T60-H223 PolarHBondContact O-CE1 3.42Å; T60-H223 PolarHBondContact O-ND1 3.35Å; S219-H223 PolarHBondContact O-N 3.17Å; L220-H223 WeakPolarHBondContact O-CA 3.49Å; L220-H223 WeakPolarHBondContact O-CB 3.42Å; L220-H223 PolarHBondContact O-N 3.12Å; Y221-H223 VanDerWaalsContact C-N 3.28Å; Y221-H223 PolarHBondContact O-N 3.14Å; H223-N225 PolarHBondContact O-N 3.38Å; H223-T226 PolarHBondContact O-N 3.39Å; H223-T226 VanDerWaalsContact O-N 3.16Å; H223-T226 PolarHBondContact O-OG1 3.46Å
224D75.9Confident81Confident75 Ų7533.2 Ų33.240%0.40117%0.172SC..Hα-helixtrans-61.7-31.7-179.3-64.1-17.9000112.3L220 Y221L220-D224 WeakPolarHBondContact CD2-OD2 3.41Å; L220-D224 PolarHBondContact O-N 3.33Å; Y221-D224 PolarHBondContact O-N 3.08Å
225N71.7Confident80.5Confident31 Ų3135.9 Ų35.917%0.16619%0.187CC..Hα-helixtrans-89.6-5.4-179.6-75-71000114.4G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.25Å; G116-N225 WeakPolarHBondContact CA-O 3.16Å; S119-N225 PolarHBondContact OG-O 2.83Å; Y221-N225 VanDerWaalsContact O-CB 3.32Å; Y221-N225 WeakPolarHBondContact O-CB 3.36Å; Y221-N225 PolarHBondContact O-N 2.98Å; Y221-N225 VanDerWaalsContact O-N 3.09Å; Y221-N225 PolarHBondContact O-ND2 3.28Å; L222-N225 PolarHBondContact O-N 3.5Å; H223-N225 PolarHBondContact O-N 3.38Å
226T67.7Low79.8Confident28 Ų2839.2 Ų39.217%0.17220%0.204CC..  trans-109.70-17957.70000114.2K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.41Å; K120-T226 PolarHBondContact NZ-O 3.48Å; L222-T226 HydrophobicContact CD1-CG2 4.31Å; L222-T226 HydrophobicContact CG-CG2 4.26Å; L222-T226 WeakPolarHBondContact O-CB 3.41Å; L222-T226 WeakPolarHBondContact O-CG2 3.27Å; L222-T226 PolarHBondContact O-N 3Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 2.95Å; H223-T226 PolarHBondContact O-N 3.39Å; H223-T226 VanDerWaalsContact O-N 3.16Å; H223-T226 PolarHBondContact O-OG1 3.46Å

Retrieved 226 of 226 residues in 343.2 ms (Link to these results)