A0A096MUL6_PAPAN Loading...

Mitochondrial import receptor subunit TOM20 homolog

Central component of the receptor complex responsible for the recognition and translocation of cytosolically synthesized mitochondrial preproteins. Together with TOM22 functions as the transit peptide receptor at the surface of the mitochondrion outer membrane and facilitates the movement of preproteins into the TOM40 translocation pore. Required for the translocation across the mitochondrial outer membrane of cytochrome P450 monooxygenases.

AlphaFold DB (Q5RA31), UniProt , Accession A0A096MUL6, Species PAPAN (Papio anubis, Olive baboon), Gene TOMM20, Length 145 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
1M60.9Low80Confident193 Ų19398.6 Ų98.695%0.95160%0.603SS**  0-34.70-95.880.117800114.9G3 R4M1-G3 PolarHBondContact O-N 3.45Å; M1-R4 PolarHBondContact O-N 3.34Å
2V68.3Low81Confident126 Ų12697 Ų9776%0.76459%0.593SS**Hα-helixtrans-55.6-42.7-168.1-178.40000114.8R4 N5 S6V2-R4 PolarHBondContact O-N 3.46Å; V2-N5 PolarHBondContact O-N 2.99Å; V2-S6 PolarHBondContact O-N 3.31Å
3G72.7Confident81.7Confident53 Ų5395.9 Ų95.955%0.54659%0.59SS.*Hα-helixtrans-69-25-176.800000115.9M1 S6 A7M1-G3 PolarHBondContact O-N 3.45Å; G3-S6 PolarHBondContact O-OG 2.91Å; G3-A7 PolarHBondContact O-N 3.38Å
4R77.9Confident82.4Confident192 Ų19291.5 Ų91.573%0.72557%0.573SS**Hα-helixtrans-75.3-38.1176.8-105.4162.158.3176-0.7111.3M1 V2 A7 I8M1-R4 PolarHBondContact O-N 3.34Å; V2-R4 PolarHBondContact O-N 3.46Å; R4-A7 PolarHBondContact O-N 2.89Å; R4-I8 WeakPolarHBondContact O-CD1 3.41Å; R4-I8 VanDerWaalsContact O-CG1 3.29Å; R4-I8 WeakPolarHBondContact O-CG1 3.27Å; R4-I8 PolarHBondContact O-N 3.44Å; R4-I8 VanDerWaalsContact O-N 3.16Å
5N82Confident83.1Confident106 Ų10689.7 Ų89.757%0.56757%0.571SS**Hα-helixtrans-69.3-37.5179.6-658000111.3V2 I8 A9V2-N5 PolarHBondContact O-N 2.99Å; N5-I8 PolarHBondContact O-N 3.4Å; N5-A9 WeakPolarHBondContact O-CB 3.42Å; N5-A9 PolarHBondContact O-N 3.49Å
6S81.1Confident83.7Confident71 Ų7191.9 Ų91.950%0.49758%0.576SS.*Hα-helixtrans-67.2-40.6176.659.40000112.5V2 G3 A9 A10V2-S6 PolarHBondContact O-N 3.31Å; G3-S6 PolarHBondContact O-OG 2.91Å; S6-A9 PolarHBondContact O-N 3.49Å; S6-A10 WeakPolarHBondContact O-CB 3.46Å; S6-A10 PolarHBondContact O-N 2.95Å
7A85.2Confident84.3Confident65 Ų6594.9 Ų94.954%0.53758%0.579SS.*Hα-helixtrans-62.8-42.917600000112.1G3 R4 G11G3-A7 PolarHBondContact O-N 3.38Å; R4-A7 PolarHBondContact O-N 2.89Å; A7-G11 PolarHBondContact O-N 3.49Å
8I87.1Confident84.8Confident112 Ų11295.4 Ų95.457%0.57458%0.576SS**Hα-helixtrans-64.2-45.7175.6-65165.7000110.3R4 N5 A10 G11 V12R4-I8 WeakPolarHBondContact O-CD1 3.41Å; R4-I8 VanDerWaalsContact O-CG1 3.29Å; R4-I8 WeakPolarHBondContact O-CG1 3.27Å; R4-I8 PolarHBondContact O-N 3.44Å; R4-I8 VanDerWaalsContact O-N 3.16Å; N5-I8 PolarHBondContact O-N 3.4Å; I8-A10 PolarHBondContact O-N 3.04Å; I8-G11 PolarHBondContact O-N 3Å; I8-V12 HydrophobicContact CG2-CG2 4.47Å; I8-V12 WeakPolarHBondContact O-CG2 3.42Å; I8-V12 PolarHBondContact O-N 3.43Å
9A86.3Confident85.2Confident54 Ų5492.4 Ų92.445%0.44657%0.566SS.*Hα-helixtrans-61.1-44.8178.800000112.2N5 S6 G11 V12 C13N5-A9 WeakPolarHBondContact O-CB 3.42Å; N5-A9 PolarHBondContact O-N 3.49Å; S6-A9 PolarHBondContact O-N 3.49Å; A9-G11 VanDerWaalsContact C-N 3.34Å; A9-G11 PolarHBondContact O-N 3.44Å; A9-V12 PolarHBondContact O-N 3.37Å; A9-C13 WeakPolarHBondContact O-CB 3.36Å; A9-C13 PolarHBondContact O-N 3.27Å; A9-C13 PolarHBondContact O-SG 3.3Å; A9-C13 VanDerWaalsContact O-SG 3.32Å
10A88.4Confident85.5Confident67 Ų6795.2 Ų95.255%0.55457%0.567SS**Hα-helixtrans-61.9-40.9176.600000112.2S6 I8 G14S6-A10 WeakPolarHBondContact O-CB 3.46Å; S6-A10 PolarHBondContact O-N 2.95Å; I8-A10 PolarHBondContact O-N 3.04Å; A10-G14 PolarHBondContact O-N 3.04Å
11G90.2Very high85.8Confident46 Ų4693.4 Ų93.447%0.47456%0.559SS.*Hα-helixtrans-62.9-44.4175.900000113.2A7 I8 A9 G14 A15A7-G11 PolarHBondContact O-N 3.49Å; I8-G11 PolarHBondContact O-N 3Å; A9-G11 VanDerWaalsContact C-N 3.34Å; A9-G11 PolarHBondContact O-N 3.44Å; G11-G14 PolarHBondContact O-N 3.19Å; G11-A15 WeakPolarHBondContact O-CB 3.46Å; G11-A15 PolarHBondContact O-N 3.21Å
12V92Very high87.2Confident79 Ų7989.5 Ų89.548%0.47954%0.541SS..Hα-helixtrans-65.4-45.1177.7174.50000111.1I8 A9 G14 A15 L16I8-V12 HydrophobicContact CG2-CG2 4.47Å; I8-V12 WeakPolarHBondContact O-CG2 3.42Å; I8-V12 PolarHBondContact O-N 3.43Å; A9-V12 PolarHBondContact O-N 3.37Å; V12-G14 PolarHBondContact O-N 3.16Å; V12-A15 PolarHBondContact O-N 3.37Å; V12-L16 HydrophobicContact CG1-CD1 4.18Å; V12-L16 WeakPolarHBondContact O-CG 3.33Å; V12-L16 PolarHBondContact O-N 3Å
13C90.5Very high88.1Confident83 Ų8390.1 Ų90.156%0.56153%0.53SS*.Hα-helixtrans-60.9-43176.6-71.30000112.1A9 L16 F17A9-C13 WeakPolarHBondContact O-CB 3.36Å; A9-C13 PolarHBondContact O-N 3.27Å; A9-C13 PolarHBondContact O-SG 3.3Å; A9-C13 VanDerWaalsContact O-SG 3.32Å; C13-L16 PolarHBondContact O-N 2.96Å; C13-F17 WeakPolarHBondContact O-CB 3.47Å; C13-F17 PolarHBondContact O-N 3.17Å
14G91.2Very high88.7Confident34 Ų3492.7 Ų92.735%0.35153%0.527SS..Hα-helixtrans-61.8-44176.300000112.9A10 G11 V12 F17 I18A10-G14 PolarHBondContact O-N 3.04Å; G11-G14 PolarHBondContact O-N 3.19Å; V12-G14 PolarHBondContact O-N 3.16Å; G14-F17 PolarHBondContact O-N 3.46Å; G14-I18 VanDerWaalsContact O-CG1 3.32Å; G14-I18 WeakPolarHBondContact O-CG1 3.38Å; G14-I18 PolarHBondContact O-N 3.15Å
15A93.1Very high89.2Confident65 Ų6586.6 Ų86.654%0.53751%0.508SS..Hα-helixtrans-64.7-41.3178.200000112.5G11 V12 G19G11-A15 WeakPolarHBondContact O-CB 3.46Å; G11-A15 PolarHBondContact O-N 3.21Å; V12-A15 PolarHBondContact O-N 3.37Å; A15-G19 PolarHBondContact O-N 2.93Å
16L92.9Very high89.2Confident124 Ų12490.6 Ų90.665%0.64952%0.516SS*.Hα-helixtrans-64.6-41.9175.4-70.5175.4000111.9V12 C13 G19 Y20V12-L16 HydrophobicContact CG1-CD1 4.18Å; V12-L16 WeakPolarHBondContact O-CG 3.33Å; V12-L16 PolarHBondContact O-N 3Å; C13-L16 PolarHBondContact O-N 2.96Å; L16-G19 PolarHBondContact O-N 3.34Å; L16-Y20 WeakPolarHBondContact O-CB 3.47Å; L16-Y20 PolarHBondContact O-N 2.86Å
17F92.7Very high89Confident143 Ų14392.9 Ų92.963%0.62752%0.517SS*.Hα-helixtrans-63.1-47.2177.3-174.3-101.1000111.7C13 G14 G19 Y20 C21C13-F17 WeakPolarHBondContact O-CB 3.47Å; C13-F17 PolarHBondContact O-N 3.17Å; G14-F17 PolarHBondContact O-N 3.46Å; F17-G19 PolarHBondContact O-N 2.98Å; F17-Y20 PolarHBondContact O-N 3.33Å; F17-C21 PolarHBondContact O-N 3.49Å; F17-C21 PolarHBondContact O-SG 3.41Å
18I93.7Very high88.4Confident104 Ų10498.9 Ų98.953%0.53353%0.525SS..Hα-helixtrans-62.4-43.4176.8-66.8168.9000110.7G14 Y20 C21 I22G14-I18 VanDerWaalsContact O-CG1 3.32Å; G14-I18 WeakPolarHBondContact O-CG1 3.38Å; G14-I18 PolarHBondContact O-N 3.15Å; I18-Y20 VanDerWaalsContact C-N 3.32Å; I18-Y20 PolarHBondContact O-N 3.22Å; I18-C21 PolarHBondContact O-N 3.46Å; I18-I22 HydrophobicContact CG2-CD1 3.82Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 3.29Å
19G92.4Very high87.6Confident38 Ų38102.9 Ų102.939%0.39253%0.533SS..Hα-helixtrans-58.8-42.417500000112.6A15 L16 F17 I22 Y23A15-G19 PolarHBondContact O-N 2.93Å; L16-G19 PolarHBondContact O-N 3.34Å; F17-G19 PolarHBondContact O-N 2.98Å; G19-I22 PolarHBondContact O-N 3.49Å; G19-Y23 WeakPolarHBondContact O-CB 3.34Å; G19-Y23 PolarHBondContact O-N 2.9Å
20Y90.7Very high86.6Confident149 Ų149104 Ų10458%0.58454%0.538SS*.Hα-helixtrans-65.4-42.3175.2-175.6-103000112.2L16 F17 I18 I22 Y23 F24L16-Y20 WeakPolarHBondContact O-CB 3.47Å; L16-Y20 PolarHBondContact O-N 2.86Å; F17-Y20 PolarHBondContact O-N 3.33Å; I18-Y20 VanDerWaalsContact C-N 3.32Å; I18-Y20 PolarHBondContact O-N 3.22Å; Y20-I22 PolarHBondContact O-N 3.47Å; Y20-Y23 PolarHBondContact O-N 3.31Å; Y20-F24 WeakPolarHBondContact O-CB 3.49Å; Y20-F24 PolarHBondContact O-N 2.94Å
21C91.8Very high85.5Confident58 Ų58104.6 Ų104.639%0.39253%0.532SS..Hα-helixtrans-60.8-43.8174.6-69.30000112.1F17 I18 F24 D25F17-C21 PolarHBondContact O-N 3.49Å; F17-C21 PolarHBondContact O-SG 3.41Å; I18-C21 PolarHBondContact O-N 3.46Å; C21-F24 PolarHBondContact O-N 2.93Å; C21-D25 WeakPolarHBondContact O-CB 3.2Å; C21-D25 PolarHBondContact O-N 3.46Å
22I90.2Very high84.3Confident111 Ų111106.5 Ų106.557%0.56954%0.536SS*.Hα-helixtrans-65.8-43.9177-67.2168.3000110.8I18 G19 Y20 F24 D25 R26I18-I22 HydrophobicContact CG2-CD1 3.82Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 3.29Å; G19-I22 PolarHBondContact O-N 3.49Å; Y20-I22 PolarHBondContact O-N 3.47Å; I22-F24 VanDerWaalsContact C-N 3.33Å; I22-F24 PolarHBondContact O-N 2.87Å; I22-D25 PolarHBondContact O-N 3.19Å; I22-R26 VanDerWaalsContact O-CB 3.29Å; I22-R26 WeakPolarHBondContact O-CB 3.38Å; I22-R26 PolarHBondContact O-N 2.99Å
23Y87.9Confident83.2Confident139 Ų139106.7 Ų106.755%0.54553%0.534SS..Hα-helixtrans-60.1-44.4176.9172.3-103.4000111.5G19 Y20 R26 K27G19-Y23 WeakPolarHBondContact O-CB 3.34Å; G19-Y23 PolarHBondContact O-N 2.9Å; Y20-Y23 PolarHBondContact O-N 3.31Å; Y23-R26 PolarHBondContact O-N 2.91Å; Y23-K27 HydrophobicContact CE1-CD 4.47Å; Y23-K27 WeakPolarHBondContact O-CB 3.47Å; Y23-K27 PolarHBondContact O-N 3.16Å
24F85.5Confident82Confident106 Ų106109.3 Ų109.347%0.46554%0.536SS..Hα-helixtrans-70.6-40.7179.9-167.1-98.9000112.5Y20 C21 I22 R26 K27 R28Y20-F24 WeakPolarHBondContact O-CB 3.49Å; Y20-F24 PolarHBondContact O-N 2.94Å; C21-F24 PolarHBondContact O-N 2.93Å; I22-F24 VanDerWaalsContact C-N 3.33Å; I22-F24 PolarHBondContact O-N 2.87Å; F24-R26 VanDerWaalsContact C-N 3.32Å; F24-R26 PolarHBondContact O-N 3.38Å; F24-K27 PolarHBondContact O-N 3Å; F24-R28 VanDerWaalsContact O-CB 3.28Å; F24-R28 WeakPolarHBondContact O-CB 3.27Å; F24-R28 PolarHBondContact O-N 3.2Å
25D87.8Confident81.1Confident64 Ų64115 Ų11534%0.34255%0.551SS.*Hα-helixtrans-63.4-39.6174.2-172.856.7000111.1C21 I22 R28 R29C21-D25 WeakPolarHBondContact O-CB 3.2Å; C21-D25 PolarHBondContact O-N 3.46Å; I22-D25 PolarHBondContact O-N 3.19Å; D25-R28 PolarHBondContact O-N 3.33Å; D25-R29 VanDerWaalsContact CG-NE 3.33Å; D25-R29 VanDerWaalsContact O-CB 3.31Å; D25-R29 WeakPolarHBondContact O-CB 3.4Å; D25-R29 VanDerWaalsContact O-CG 3.28Å; D25-R29 WeakPolarHBondContact O-CG 3.19Å; D25-R29 PolarHBondContact O-N 2.85Å; D25-R29 IonicContact OD1-CZ 3.75Å; D25-R29 IonicContact OD1-NE 3.2Å; D25-R29 PolarHBondContact OD1-NE 3.44Å; D25-R29 IonicContact OD1-NH2 3.54Å; D25-R29 WeakPolarHBondContact OD2-CD 3.49Å; D25-R29 IonicContact OD2-CZ 3.52Å; D25-R29 IonicContact OD2-NE 3.68Å; D25-R29 PolarHBondContact OD2-NE 2.88Å; D25-R29 IonicContact OD2-NH1 3.44Å; D25-R29 PolarHBondContact OD2-NH1 3.44Å; D25-R29 IonicContact OD2-NH2 2.93Å; D25-R29 PolarHBondContact OD2-NH2 2.91Å
26R82.2Confident80.1Confident190 Ų190115.6 Ų115.672%0.71755%0.545SS*.Hα-helixtrans-63.5-47.4173.8-172.1174.2177166.3-0.9111.6I22 Y23 F24 R28 R29 S30I22-R26 VanDerWaalsContact O-CB 3.29Å; I22-R26 WeakPolarHBondContact O-CB 3.38Å; I22-R26 PolarHBondContact O-N 2.99Å; Y23-R26 PolarHBondContact O-N 2.91Å; F24-R26 VanDerWaalsContact C-N 3.32Å; F24-R26 PolarHBondContact O-N 3.38Å; R26-R28 VanDerWaalsContact C-N 3.31Å; R26-R28 PolarHBondContact O-N 2.93Å; R26-R29 PolarHBondContact O-N 3.02Å; R26-S30 WeakPolarHBondContact O-CB 3.43Å; R26-S30 PolarHBondContact O-N 2.93Å; R26-S30 PolarHBondContact O-OG 3.48Å; R26-S30 VanDerWaalsContact O-OG 3.05Å
27K78.1Confident79.2Confident119 Ų119116.2 Ų116.252%0.51754%0.539SS..Hα-helixtrans-61.5-38.9177.3-174.6171.6-178.6175.20112Y23 F24 S30Y23-K27 HydrophobicContact CE1-CD 4.47Å; Y23-K27 WeakPolarHBondContact O-CB 3.47Å; Y23-K27 PolarHBondContact O-N 3.16Å; F24-K27 PolarHBondContact O-N 3Å; K27-S30 PolarHBondContact O-OG 3.49Å
28R72.4Confident78.5Confident191 Ų191112.4 Ų112.472%0.72153%0.525SS*.Hα-helixtrans-71.3-35.7177.8-165.6177.4-176.1-176.22112.4F24 D25 R26F24-R28 VanDerWaalsContact O-CB 3.28Å; F24-R28 WeakPolarHBondContact O-CB 3.27Å; F24-R28 PolarHBondContact O-N 3.2Å; D25-R28 PolarHBondContact O-N 3.33Å; R26-R28 VanDerWaalsContact C-N 3.31Å; R26-R28 PolarHBondContact O-N 2.93Å
29R70.2Confident77.9Confident197 Ų197115.6 Ų115.674%0.74353%0.53SS*.Hα-helixtrans-81.1-26.2177.3-71.4175.1-176.3-169.9-5.4113.3D25 R26 D31D25-R29 VanDerWaalsContact CG-NE 3.33Å; D25-R29 VanDerWaalsContact O-CB 3.31Å; D25-R29 WeakPolarHBondContact O-CB 3.4Å; D25-R29 VanDerWaalsContact O-CG 3.28Å; D25-R29 WeakPolarHBondContact O-CG 3.19Å; D25-R29 PolarHBondContact O-N 2.85Å; D25-R29 IonicContact OD1-CZ 3.75Å; D25-R29 IonicContact OD1-NE 3.2Å; D25-R29 PolarHBondContact OD1-NE 3.44Å; D25-R29 IonicContact OD1-NH2 3.54Å; D25-R29 WeakPolarHBondContact OD2-CD 3.49Å; D25-R29 IonicContact OD2-CZ 3.52Å; D25-R29 IonicContact OD2-NE 3.68Å; D25-R29 PolarHBondContact OD2-NE 2.88Å; D25-R29 IonicContact OD2-NH1 3.44Å; D25-R29 PolarHBondContact OD2-NH1 3.44Å; D25-R29 IonicContact OD2-NH2 2.93Å; D25-R29 PolarHBondContact OD2-NH2 2.91Å; R26-R29 PolarHBondContact O-N 3.02Å; R29-D31 VanDerWaalsContact C-N 3.29Å; R29-D31 PolarHBondContact O-N 2.95Å
30S64.5Low77.5Confident78 Ų78119 Ų11955%0.54554%0.536SS..THydrogen-bonded Turntrans-84.67.9179.471.30000114.4R26 K27 P32R26-S30 WeakPolarHBondContact O-CB 3.43Å; R26-S30 PolarHBondContact O-N 2.93Å; R26-S30 PolarHBondContact O-OG 3.48Å; R26-S30 VanDerWaalsContact O-OG 3.05Å; K27-S30 PolarHBondContact O-OG 3.49Å; S30-P32 WeakPolarHBondContact O-CD 3.39Å
31D66.2Low77Confident79 Ų79120 Ų12042%0.42254%0.539SS..  trans-97.987.2178.6-145.1-31.6000110.2R29 N33 F34R29-D31 VanDerWaalsContact C-N 3.29Å; R29-D31 PolarHBondContact O-N 2.95Å; D31-N33 PolarHBondContact O-N 3.48Å; D31-F34 PolarHBondContact O-N 3.38Å
32P65.2Low76.6Confident86 Ų86124.9 Ų124.956%0.55855%0.549SS*.THydrogen-bonded Turntrans-62.9-16.5-176.626.4-36000112.9S30 F34 K35S30-P32 WeakPolarHBondContact O-CD 3.39Å; P32-F34 VanDerWaalsContact C-N 3.26Å; P32-F34 PolarHBondContact O-N 3.44Å; P32-K35 PolarHBondContact O-N 2.89Å
33N67.5Low76.2Confident82 Ų82126.8 Ų126.844%0.43955%0.553SS.*Hα-helixtrans-70.8-15.7-178.5-72-37.2000113.6D31 R37D31-N33 PolarHBondContact O-N 3.48Å; N33-R37 VanDerWaalsContact O-CB 3.3Å; N33-R37 WeakPolarHBondContact O-CB 3.46Å; N33-R37 VanDerWaalsContact O-CG 3.24Å; N33-R37 WeakPolarHBondContact O-CG 3.35Å; N33-R37 PolarHBondContact O-N 3.31Å; N33-R37 PolarHBondContact O-NE 3.13Å
34F66.7Low76Confident139 Ų139127.4 Ų127.461%0.6156%0.558SS**Hα-helixtrans-69.9-44.7173.3-175.6-102.8000111.8D31 P32 N36 R37 L38D31-F34 PolarHBondContact O-N 3.38Å; P32-F34 VanDerWaalsContact C-N 3.26Å; P32-F34 PolarHBondContact O-N 3.44Å; F34-N36 VanDerWaalsContact C-N 3.33Å; F34-N36 PolarHBondContact O-N 3.15Å; F34-R37 PolarHBondContact O-N 3.08Å; F34-L38 HydrophobicContact CE1-CD2 4.27Å; F34-L38 HydrophobicContact CZ-CD1 4.18Å; F34-L38 WeakPolarHBondContact O-CB 3.48Å; F34-L38 PolarHBondContact O-N 3.33Å
35K70.5Confident75.6Confident153 Ų153128.7 Ų128.767%0.66557%0.566SS**Hα-helixtrans-63.5-39.8178-81.4-175.9171.21790111.7P32 L38 R39P32-K35 PolarHBondContact O-N 2.89Å; K35-L38 PolarHBondContact O-N 3.32Å; K35-R39 WeakPolarHBondContact O-CB 3.43Å; K35-R39 WeakPolarHBondContact O-CG 3.35Å; K35-R39 PolarHBondContact O-N 2.74Å
36N72.7Confident75.1Confident78 Ų78132.7 Ų132.742%0.41758%0.58SS.*Hα-helixtrans-66.3-47.2176.8-69.6-12000111.2F34 L38 R39 E40F34-N36 VanDerWaalsContact C-N 3.33Å; F34-N36 PolarHBondContact O-N 3.15Å; N36-L38 VanDerWaalsContact C-N 3.29Å; N36-L38 PolarHBondContact O-N 3.03Å; N36-R39 PolarHBondContact O-N 3.49Å; N36-E40 WeakPolarHBondContact O-CB 3.3Å; N36-E40 WeakPolarHBondContact O-CG 3.36Å; N36-E40 PolarHBondContact O-N 2.67Å
37R74.4Confident74.8Confident136 Ų136128.6 Ų128.651%0.51357%0.572SS.*Hα-helixtrans-60.4-37.1175.1-76.1-175.8-89.5-138.63.7112.7N33 F34 R41N33-R37 VanDerWaalsContact O-CB 3.3Å; N33-R37 WeakPolarHBondContact O-CB 3.46Å; N33-R37 VanDerWaalsContact O-CG 3.24Å; N33-R37 WeakPolarHBondContact O-CG 3.35Å; N33-R37 PolarHBondContact O-N 3.31Å; N33-R37 PolarHBondContact O-NE 3.13Å; F34-R37 PolarHBondContact O-N 3.08Å; R37-R41 WeakPolarHBondContact O-CB 3.24Å; R37-R41 VanDerWaalsContact O-CG 3.25Å; R37-R41 WeakPolarHBondContact O-CG 3.28Å; R37-R41 PolarHBondContact O-N 3.28Å
38L78Confident74.4Confident63 Ų63125.6 Ų125.633%0.3357%0.57SS.*Hα-helixtrans-70.5-40.3177.1-152.973.3000111.9F34 K35 N36 R41 R42F34-L38 HydrophobicContact CE1-CD2 4.27Å; F34-L38 HydrophobicContact CZ-CD1 4.18Å; F34-L38 WeakPolarHBondContact O-CB 3.48Å; F34-L38 PolarHBondContact O-N 3.33Å; K35-L38 PolarHBondContact O-N 3.32Å; N36-L38 VanDerWaalsContact C-N 3.29Å; N36-L38 PolarHBondContact O-N 3.03Å; L38-R41 PolarHBondContact O-N 3Å; L38-R42 WeakPolarHBondContact O-CB 3.23Å; L38-R42 WeakPolarHBondContact O-CG 3.27Å; L38-R42 PolarHBondContact O-N 3.44Å
39R81.6Confident74.1Confident171 Ų171122.8 Ų122.865%0.64556%0.563SS**Hα-helixtrans-64-43.6173.6-77.7177.8175.7-178-2.5111.6K35 N36 R42 K43K35-R39 WeakPolarHBondContact O-CB 3.43Å; K35-R39 WeakPolarHBondContact O-CG 3.35Å; K35-R39 PolarHBondContact O-N 2.74Å; N36-R39 PolarHBondContact O-N 3.49Å; R39-R42 PolarHBondContact O-N 3.29Å; R39-K43 WeakPolarHBondContact O-CG 3.22Å; R39-K43 PolarHBondContact O-N 3.39Å
40E83.1Confident73.8Confident111 Ų111120.2 Ų120.252%0.51956%0.559SS.*Hα-helixtrans-63.2-44.5175.5-75.7178.6-177.500112N36 R42 K43 K44N36-E40 WeakPolarHBondContact O-CB 3.3Å; N36-E40 WeakPolarHBondContact O-CG 3.36Å; N36-E40 PolarHBondContact O-N 2.67Å; E40-R42 PolarHBondContact O-N 3.41Å; E40-K43 PolarHBondContact O-N 3.03Å; E40-K44 WeakPolarHBondContact O-CB 3.38Å; E40-K44 WeakPolarHBondContact O-CG 3.42Å; E40-K44 PolarHBondContact O-N 3.01Å
41R81.2Confident73.8Confident169 Ų169127.3 Ų127.364%0.63857%0.574SS**Hα-helixtrans-59.8-43.8174.2-76.1177.5-177.7-161.70.2111.8R37 L38 K44 Q45R37-R41 WeakPolarHBondContact O-CB 3.24Å; R37-R41 VanDerWaalsContact O-CG 3.25Å; R37-R41 WeakPolarHBondContact O-CG 3.28Å; R37-R41 PolarHBondContact O-N 3.28Å; L38-R41 PolarHBondContact O-N 3Å; R41-K44 PolarHBondContact O-N 3.44Å; R41-Q45 WeakPolarHBondContact O-CB 3.47Å; R41-Q45 VanDerWaalsContact O-CG 3.31Å; R41-Q45 WeakPolarHBondContact O-CG 3.32Å; R41-Q45 PolarHBondContact O-N 3.09Å
42R82.3Confident73.5Confident161 Ų161126.1 Ų126.161%0.60858%0.575SS**Hα-helixtrans-64.9-39.7175.7-73.8179.9-176.8-169.21.1112.5L38 R39 E40 Q45 K46L38-R42 WeakPolarHBondContact O-CB 3.23Å; L38-R42 WeakPolarHBondContact O-CG 3.27Å; L38-R42 PolarHBondContact O-N 3.44Å; R39-R42 PolarHBondContact O-N 3.29Å; E40-R42 PolarHBondContact O-N 3.41Å; R42-Q45 PolarHBondContact O-N 3.47Å; R42-K46 WeakPolarHBondContact O-CB 3.19Å; R42-K46 WeakPolarHBondContact O-CG 3.38Å; R42-K46 PolarHBondContact O-N 2.97Å
43K83.1Confident73Confident150 Ų150123.3 Ų123.365%0.65256%0.562SS**Hα-helixtrans-63.6-45.9174.1-76.8-175.1176.6-171.40111.4R39 E40 K46 L47R39-K43 WeakPolarHBondContact O-CG 3.22Å; R39-K43 PolarHBondContact O-N 3.39Å; E40-K43 PolarHBondContact O-N 3.03Å; K43-K46 PolarHBondContact O-N 3.46Å; K43-L47 WeakPolarHBondContact O-CB 3.34Å; K43-L47 WeakPolarHBondContact O-CG 3.35Å; K43-L47 PolarHBondContact O-N 3.17Å
44K82.5Confident72.3Confident152 Ų152125.7 Ų125.766%0.66157%0.574SS**Hα-helixtrans-62.8-41.2176.1-72.2-177.8179.4-175.30112E40 R41 A48E40-K44 WeakPolarHBondContact O-CB 3.38Å; E40-K44 WeakPolarHBondContact O-CG 3.42Å; E40-K44 PolarHBondContact O-N 3.01Å; R41-K44 PolarHBondContact O-N 3.44Å; K44-A48 VanDerWaalsContact O-CB 3.22Å; K44-A48 WeakPolarHBondContact O-CB 3.31Å; K44-A48 PolarHBondContact O-N 3.25Å
45Q77.1Confident71.6Confident133 Ų133122.3 Ų122.362%0.62157%0.568SS**Hα-helixtrans-66.5-40.5174.8-77176.6-7.900112.5R41 R42 A48 K49R41-Q45 WeakPolarHBondContact O-CB 3.47Å; R41-Q45 VanDerWaalsContact O-CG 3.31Å; R41-Q45 WeakPolarHBondContact O-CG 3.32Å; R41-Q45 PolarHBondContact O-N 3.09Å; R42-Q45 PolarHBondContact O-N 3.47Å; Q45-A48 PolarHBondContact O-N 3.14Å; Q45-K49 WeakPolarHBondContact O-CB 3.39Å; Q45-K49 PolarHBondContact O-N 2.99Å
46K77Confident71Confident149 Ų149121.1 Ų121.165%0.64856%0.562SS**Hα-helixtrans-62.5-48.6174.3-78.5-173174.7-160.60111.5R42 K43 A48 K49 E50R42-K46 WeakPolarHBondContact O-CB 3.19Å; R42-K46 WeakPolarHBondContact O-CG 3.38Å; R42-K46 PolarHBondContact O-N 2.97Å; K43-K46 PolarHBondContact O-N 3.46Å; K46-A48 VanDerWaalsContact C-N 3.33Å; K46-A48 PolarHBondContact O-N 3.03Å; K46-K49 CarbonylContact O-C 3.59Å; K46-K49 PolarHBondContact O-N 2.9Å; K46-K49 VanDerWaalsContact O-N 3.15Å; K46-E50 WeakPolarHBondContact O-CB 3.38Å; K46-E50 WeakPolarHBondContact O-CG 3.38Å; K46-E50 PolarHBondContact O-N 3Å
47L76.5Confident70.5Confident103 Ų103121.4 Ų121.454%0.53956%0.564SS.*Hα-helixtrans-62.7-38176-74.1169.8000112.4K43 R51K43-L47 WeakPolarHBondContact O-CB 3.34Å; K43-L47 WeakPolarHBondContact O-CG 3.35Å; K43-L47 PolarHBondContact O-N 3.17Å; L47-R51 VanDerWaalsContact O-CB 3.26Å; L47-R51 WeakPolarHBondContact O-CB 3.27Å; L47-R51 WeakPolarHBondContact O-CG 3.45Å; L47-R51 PolarHBondContact O-N 3.35Å
48A70.6Confident69.9Low57 Ų57116 Ų11647%0.47155%0.546SS..Hα-helixtrans-67.6-37.5174.600000111.7K44 Q45 K46 R51 A52K44-A48 VanDerWaalsContact O-CB 3.22Å; K44-A48 WeakPolarHBondContact O-CB 3.31Å; K44-A48 PolarHBondContact O-N 3.25Å; Q45-A48 PolarHBondContact O-N 3.14Å; K46-A48 VanDerWaalsContact C-N 3.33Å; K46-A48 PolarHBondContact O-N 3.03Å; A48-R51 PolarHBondContact O-N 2.69Å; A48-A52 WeakPolarHBondContact O-CB 3.35Å; A48-A52 PolarHBondContact O-N 3.45Å
49K64.9Low69.3Low132 Ų132118.1 Ų118.157%0.57456%0.558SS**Hα-helixtrans-71.4-35176.8-173171.7179.2178.10112.2Q45 K46 S55Q45-K49 WeakPolarHBondContact O-CB 3.39Å; Q45-K49 PolarHBondContact O-N 2.99Å; K46-K49 CarbonylContact O-C 3.59Å; K46-K49 PolarHBondContact O-N 2.9Å; K46-K49 VanDerWaalsContact O-N 3.15Å; K49-S55 WeakPolarHBondContact CE-OG 3.32Å; K49-S55 WeakPolarHBondContact CG-OG 3.4Å
50E65Low68.6Low142 Ų142115.7 Ų115.766%0.66456%0.557SS**Hα-helixtrans-67.4-48170.1-75176.8163.900111K46 A52 G53K46-E50 WeakPolarHBondContact O-CB 3.38Å; K46-E50 WeakPolarHBondContact O-CG 3.38Å; K46-E50 PolarHBondContact O-N 3Å; E50-A52 VanDerWaalsContact C-N 3.26Å; E50-A52 PolarHBondContact O-N 3.24Å; E50-G53 PolarHBondContact O-N 2.97Å; E50-G53 VanDerWaalsContact O-N 3.12Å
51R64.3Low68Low227 Ų227119.4 Ų119.486%0.85757%0.571SS**Hα-helixtrans-63.2-29.7175.1-83.5-174.7161.8177.2-5.2113.9L47 A48 G53L47-R51 VanDerWaalsContact O-CB 3.26Å; L47-R51 WeakPolarHBondContact O-CB 3.27Å; L47-R51 WeakPolarHBondContact O-CG 3.45Å; L47-R51 PolarHBondContact O-N 3.35Å; A48-R51 PolarHBondContact O-N 2.69Å; R51-G53 PolarHBondContact O-N 3.46Å
52A58.7Low68Low55 Ų55115.1 Ų115.146%0.45556%0.561SS.*THydrogen-bonded Turntrans-72-9.517800000112.5A48 E50 L54A48-A52 WeakPolarHBondContact O-CB 3.35Å; A48-A52 PolarHBondContact O-N 3.45Å; E50-A52 VanDerWaalsContact C-N 3.26Å; E50-A52 PolarHBondContact O-N 3.24Å; A52-L54 HydrophobicContact CB-CD1 4.36Å; A52-L54 PolarHBondContact O-N 3.24Å
53G54.8Low67.9Low27 Ų27111.1 Ų111.128%0.27856%0.562SS.*  trans62.7-14.6178.600000115.3E50 R51 S55 K56E50-G53 PolarHBondContact O-N 2.97Å; E50-G53 VanDerWaalsContact O-N 3.12Å; R51-G53 PolarHBondContact O-N 3.46Å; G53-S55 VanDerWaalsContact C-N 3.3Å; G53-S55 PolarHBondContact O-N 2.97Å; G53-K56 PolarHBondContact O-N 3.4Å
54L53.7Low68Low131 Ų131111.3 Ų111.369%0.68657%0.566SS**THydrogen-bonded Turntrans-75.8-9.2-164.7-94.5149.8000114.9A52 L57A52-L54 HydrophobicContact CB-CD1 4.36Å; A52-L54 PolarHBondContact O-N 3.24Å; L54-L57 HydrophobicContact CD2-CD1 4.29Å
55S51.2Low68.1Low69 Ų69105.4 Ų105.448%0.48355%0.545SS..THydrogen-bonded Turntrans-105.83.5-178.649.80000115K49 G53K49-S55 WeakPolarHBondContact CE-OG 3.32Å; K49-S55 WeakPolarHBondContact CG-OG 3.4Å; G53-S55 VanDerWaalsContact C-N 3.3Å; G53-S55 PolarHBondContact O-N 2.97Å
56K59Low68.4Low127 Ų127100.3 Ų100.355%0.55252%0.523SS*.  trans-110.10.7171.2-90.6-165.9174.8-166.40113.5G53 P58 F69 E72G53-K56 PolarHBondContact O-N 3.4Å; K56-P58 VanDerWaalsContact O-CD 3.27Å; K56-P58 WeakPolarHBondContact O-CD 3.18Å; K56-F69 HydrophobicContact CB-CE2 4.1Å; K56-E72 IonicContact NZ-OE1 2.95Å; K56-E72 PolarHBondContact NZ-OE1 2.71Å
57L61.6Low68.7Low85 Ų8599.1 Ų99.145%0.44552%0.52SS..  trans-57.2117.4175.3-69.6175000107.7L54 F69 V99L54-L57 HydrophobicContact CD2-CD1 4.29Å; L57-F69 HydrophobicContact CD2-CE1 4.36Å; L57-F69 HydrophobicContact CD2-CZ 4.4Å; L57-V99 HydrophobicContact CD2-CG1 4.23Å
58P61.7Low69.2Low22 Ų22101.3 Ų101.314%0.14353%0.525CS..  trans-59.8158.9176.926.6-34.2000108.7K56 L60 A65 V66 F69K56-P58 VanDerWaalsContact O-CD 3.27Å; K56-P58 WeakPolarHBondContact O-CD 3.18Å; P58-L60 PolarHBondContact O-N 3.15Å; P58-A65 HydrophobicContact CB-CB 3.67Å; P58-V66 HydrophobicContact CG-CG2 4.06Å; P58-F69 HydrophobicContact CG-CB 3.69Å; P58-F69 HydrophobicContact CG-CD1 4.35Å; P58-F69 HydrophobicContact CG-CG 3.98Å
59D64.9Low70.1Confident107 Ų10799.2 Ų99.257%0.57251%0.505SS*.  trans-56.4111.1167.7-171.1-6000107.3K61 D62D59-K61 PolarHBondContact O-N 3.17Å; D59-K61 WeakPolarHBondContact OD1-CB 3.3Å; D59-K61 WeakPolarHBondContact OD1-CG 3.45Å; D59-K61 PolarHBondContact OD1-N 2.95Å; D59-D62 PolarHBondContact O-N 2.88Å
60L67.5Low71.2Confident121 Ų12195.1 Ų95.163%0.63449%0.488SS*.THydrogen-bonded Turntrans-63.2-9.3-174.4-61.9176.3000111.9P58 V66P58-L60 PolarHBondContact O-N 3.15Å; L60-V66 HydrophobicContact CD2-CG2 4.21Å
61K70.7Confident72.3Confident189 Ų18992.5 Ų92.582%0.82248%0.478SS*.THydrogen-bonded Turntrans-77.5-23.2173.5-63.8179.2178.6178.80113.3D59D59-K61 PolarHBondContact O-N 3.17Å; D59-K61 WeakPolarHBondContact OD1-CB 3.3Å; D59-K61 WeakPolarHBondContact OD1-CG 3.45Å; D59-K61 PolarHBondContact OD1-N 2.95Å
62D80.3Confident73.6Confident78 Ų7885 Ų8542%0.41745%0.453SS..  trans-97.5104.2178.9-175.10.6000110.4D59 E64 A65 V66D59-D62 PolarHBondContact O-N 2.88Å; D62-E64 PolarHBondContact O-N 3.47Å; D62-E64 WeakPolarHBondContact OD1-CB 3.47Å; D62-E64 PolarHBondContact OD1-N 3.33Å; D62-A65 HydrophobicContact CB-CB 3.88Å; D62-A65 PolarHBondContact O-N 3.17Å; D62-V66 WeakPolarHBondContact O-CG2 3.49Å; D62-V66 PolarHBondContact O-N 3.01Å
63A81.9Confident75Confident77 Ų7782.8 Ų82.864%0.63643%0.433SS*.Hα-helixtrans-59.9-32.3179.600000112.5Q67A63-Q67 WeakPolarHBondContact O-CB 3.22Å; A63-Q67 PolarHBondContact O-N 3.48Å
64E84.4Confident76.6Confident154 Ų15482.5 Ų82.572%0.7243%0.425SS*.Hα-helixtrans-70.3-42.2178.6-168.7179.217200110.6D62 Q67 K68D62-E64 PolarHBondContact O-N 3.47Å; D62-E64 WeakPolarHBondContact OD1-CB 3.47Å; D62-E64 PolarHBondContact OD1-N 3.33Å; E64-Q67 PolarHBondContact O-N 3.32Å; E64-K68 WeakPolarHBondContact O-CB 3.41Å; E64-K68 PolarHBondContact O-N 3.5Å
65A83.4Confident78.4Confident29 Ų2982.4 Ų82.424%0.2442%0.421CS..Hα-helixtrans-65.2-41.1176.100000112.1P58 D62 K68 F69P58-A65 HydrophobicContact CB-CB 3.67Å; D62-A65 HydrophobicContact CB-CB 3.88Å; D62-A65 PolarHBondContact O-N 3.17Å; A65-K68 PolarHBondContact O-N 3.03Å; A65-F69 WeakPolarHBondContact O-CB 3.49Å; A65-F69 PolarHBondContact O-N 3.35Å
66V83.8Confident80.3Confident26 Ų2681.8 Ų81.816%0.15841%0.412CS..Hα-helixtrans-62.3-46.1174.5172.50000111.1P58 L60 D62 K68 F69 F70 V99P58-V66 HydrophobicContact CG-CG2 4.06Å; L60-V66 HydrophobicContact CD2-CG2 4.21Å; D62-V66 WeakPolarHBondContact O-CG2 3.49Å; D62-V66 PolarHBondContact O-N 3.01Å; V66-K68 PolarHBondContact O-N 3.36Å; V66-F69 PolarHBondContact O-N 3.31Å; V66-F70 VanDerWaalsContact O-CB 3.28Å; V66-F70 WeakPolarHBondContact O-CB 3.42Å; V66-F70 PolarHBondContact O-N 3.22Å; V66-V99 HydrophobicContact CG1-CB 4.2Å
67Q84.7Confident81.7Confident124 Ų12475.7 Ų75.758%0.57939%0.385SS*.Hα-helixtrans-64.4-40.9178.6-174.4176.63.800111.9A63 E64 F70 L71A63-Q67 WeakPolarHBondContact O-CB 3.22Å; A63-Q67 PolarHBondContact O-N 3.48Å; E64-Q67 PolarHBondContact O-N 3.32Å; Q67-F70 WeakPolarHBondContact O-CB 3.35Å; Q67-F70 PolarHBondContact O-N 3.38Å; Q67-L71 HydrophobicContact CG-CD1 4.44Å; Q67-L71 WeakPolarHBondContact O-CG 3.47Å; Q67-L71 PolarHBondContact O-N 3.14Å
68K87.2Confident82.9Confident148 Ų14876.1 Ų76.164%0.64339%0.385SS*.Hα-helixtrans-64.1-45.4176.2-175.8178.3177.6179.70111.7E64 A65 V66 F70 L71 E72E64-K68 WeakPolarHBondContact O-CB 3.41Å; E64-K68 PolarHBondContact O-N 3.5Å; A65-K68 PolarHBondContact O-N 3.03Å; V66-K68 PolarHBondContact O-N 3.36Å; K68-F70 VanDerWaalsContact C-N 3.33Å; K68-L71 PolarHBondContact O-N 3.12Å; K68-E72 WeakPolarHBondContact O-CB 3.47Å; K68-E72 PolarHBondContact O-N 3.06Å
69F87.8Confident84.3Confident13 Ų1380.2 Ų80.26%0.05740%0.402CS..Hα-helixtrans-62-42.9175.9179.1-98.2000111.4K56 L57 P58 A65 V66 L71 E72 E73 V99K56-F69 HydrophobicContact CB-CE2 4.1Å; L57-F69 HydrophobicContact CD2-CE1 4.36Å; L57-F69 HydrophobicContact CD2-CZ 4.4Å; P58-F69 HydrophobicContact CG-CB 3.69Å; P58-F69 HydrophobicContact CG-CD1 4.35Å; P58-F69 HydrophobicContact CG-CG 3.98Å; A65-F69 WeakPolarHBondContact O-CB 3.49Å; A65-F69 PolarHBondContact O-N 3.35Å; V66-F69 PolarHBondContact O-N 3.31Å; F69-L71 PolarHBondContact O-N 3.31Å; F69-E72 PolarHBondContact O-N 3.49Å; F69-E73 HydrophobicContact CD1-CG 4.09Å; F69-E73 HydrophobicContact CD2-CG 4.26Å; F69-E73 HydrophobicContact CE1-CG 3.64Å; F69-E73 HydrophobicContact CE2-CG 3.81Å; F69-E73 HydrophobicContact CG-CG 4.39Å; F69-E73 HydrophobicContact CZ-CG 3.49Å; F69-E73 VanDerWaalsContact CZ-CG 3.49Å; F69-E73 WeakPolarHBondContact O-CB 3.36Å; F69-E73 WeakPolarHBondContact O-CG 3.37Å; F69-E73 PolarHBondContact O-N 2.95Å; F69-V99 HydrophobicContact CD1-CB 4.43Å; F69-V99 HydrophobicContact CD1-CG1 3.76Å; F69-V99 HydrophobicContact CD1-CG2 3.99Å; F69-V99 HydrophobicContact CE1-CG1 3.7Å; F69-V99 HydrophobicContact CE1-CG2 4.34Å
70F88.4Confident85.5Confident47 Ų4776.3 Ų76.321%0.20638%0.381CS..Hα-helixtrans-55.9-49.9174.6172.8-99.3000111.7V66 Q67 K68 E73 I74 A96 V99 L106V66-F70 VanDerWaalsContact O-CB 3.28Å; V66-F70 WeakPolarHBondContact O-CB 3.42Å; V66-F70 PolarHBondContact O-N 3.22Å; Q67-F70 WeakPolarHBondContact O-CB 3.35Å; Q67-F70 PolarHBondContact O-N 3.38Å; K68-F70 VanDerWaalsContact C-N 3.33Å; F70-E73 PolarHBondContact O-N 3.4Å; F70-I74 HydrophobicContact CD2-CG1 4.35Å; F70-I74 HydrophobicContact CE1-CG1 4.15Å; F70-I74 HydrophobicContact CE2-CD1 4.09Å; F70-I74 HydrophobicContact CE2-CG1 3.83Å; F70-I74 HydrophobicContact CZ-CD1 4.17Å; F70-I74 HydrophobicContact CZ-CG1 3.73Å; F70-I74 VanDerWaalsContact O-CG1 3.3Å; F70-I74 WeakPolarHBondContact O-CG1 3.15Å; F70-I74 PolarHBondContact O-N 3.42Å; F70-A96 HydrophobicContact CD2-CB 3.85Å; F70-A96 WeakPolarHBondContact CD2-O 3.43Å; F70-A96 HydrophobicContact CE2-CB 3.94Å; F70-V99 HydrophobicContact CB-CG2 4.15Å; F70-V99 HydrophobicContact CD2-CG2 4.29Å; F70-L106 HydrophobicContact CE2-CD1 4.03Å; F70-L106 HydrophobicContact CE2-CD2 3.5Å; F70-L106 VanDerWaalsContact CE2-CD2 3.5Å; F70-L106 HydrophobicContact CE2-CG 4.41Å; F70-L106 HydrophobicContact CZ-CD1 3.66Å; F70-L106 HydrophobicContact CZ-CD2 4.03Å; F70-L106 HydrophobicContact CZ-CG 4.49Å
71L89.1Confident86.5Confident86 Ų8671.5 Ų71.545%0.4536%0.356SS..Hα-helixtrans-65-40.8178.7-69.4172.6000112.4Q67 K68 F69 I74 Q75Q67-L71 HydrophobicContact CG-CD1 4.44Å; Q67-L71 WeakPolarHBondContact O-CG 3.47Å; Q67-L71 PolarHBondContact O-N 3.14Å; K68-L71 PolarHBondContact O-N 3.12Å; F69-L71 PolarHBondContact O-N 3.31Å; L71-I74 PolarHBondContact O-N 3.34Å; L71-Q75 WeakPolarHBondContact O-CB 3.43Å; L71-Q75 VanDerWaalsContact O-CG 3.27Å; L71-Q75 WeakPolarHBondContact O-CG 3.43Å; L71-Q75 PolarHBondContact O-N 3.01Å
72E90.3Very high87.3Confident71 Ų7166.9 Ų66.933%0.33235%0.353SS..Hα-helixtrans-62-46.8177.2-172.8179.7160.300111.3K56 K68 F69 Q75 L76K56-E72 IonicContact NZ-OE1 2.95Å; K56-E72 PolarHBondContact NZ-OE1 2.71Å; K68-E72 WeakPolarHBondContact O-CB 3.47Å; K68-E72 PolarHBondContact O-N 3.06Å; F69-E72 PolarHBondContact O-N 3.49Å; E72-Q75 PolarHBondContact O-N 3.21Å; E72-L76 HydrophobicContact CG-CD1 4.05Å; E72-L76 WeakPolarHBondContact O-CB 3.48Å; E72-L76 VanDerWaalsContact O-CG 3.27Å; E72-L76 WeakPolarHBondContact O-CG 3.4Å; E72-L76 PolarHBondContact O-N 3.25Å
73E89.1Confident87.8Confident8 Ų868.7 Ų68.74%0.03736%0.359CS..Hα-helixtrans-67.2-38.4179.2-71-70.8134.800112.3F69 F70 G77 H92 N95 A96F69-E73 HydrophobicContact CD1-CG 4.09Å; F69-E73 HydrophobicContact CD2-CG 4.26Å; F69-E73 HydrophobicContact CE1-CG 3.64Å; F69-E73 HydrophobicContact CE2-CG 3.81Å; F69-E73 HydrophobicContact CG-CG 4.39Å; F69-E73 HydrophobicContact CZ-CG 3.49Å; F69-E73 VanDerWaalsContact CZ-CG 3.49Å; F69-E73 WeakPolarHBondContact O-CB 3.36Å; F69-E73 WeakPolarHBondContact O-CG 3.37Å; F69-E73 PolarHBondContact O-N 2.95Å; F70-E73 PolarHBondContact O-N 3.4Å; E73-G77 PolarHBondContact O-N 3.17Å; E73-H92 IonicContact OE1-CE1 3.78Å; E73-H92 IonicContact OE1-ND1 2.74Å; E73-H92 PolarHBondContact OE1-ND1 2.87Å; E73-H92 WeakPolarHBondContact OE2-CA 3.47Å; E73-H92 IonicContact OE2-CE1 2.67Å; E73-H92 IonicContact OE2-CG 3.49Å; E73-H92 IonicContact OE2-ND1 3.97Å; E73-H92 PolarHBondContact OE2-ND1 3.19Å; E73-N95 HydrophobicContact CG-CB 4.25Å; E73-N95 VanDerWaalsContact OE2-CB 3.31Å; E73-N95 WeakPolarHBondContact OE2-CB 3.31Å; E73-N95 PolarHBondContact OE2-ND2 3.35Å; E73-A96 HydrophobicContact CB-CB 3.89Å
74I88.9Confident88.1Confident21 Ų2166.8 Ų66.811%0.10835%0.346CS..Hα-helixtrans-63.6-48174-67.5-64.3000110.8F70 L71 L76 G77 E78 L93 A96F70-I74 HydrophobicContact CD2-CG1 4.35Å; F70-I74 HydrophobicContact CE1-CG1 4.15Å; F70-I74 HydrophobicContact CE2-CD1 4.09Å; F70-I74 HydrophobicContact CE2-CG1 3.83Å; F70-I74 HydrophobicContact CZ-CD1 4.17Å; F70-I74 HydrophobicContact CZ-CG1 3.73Å; F70-I74 VanDerWaalsContact O-CG1 3.3Å; F70-I74 WeakPolarHBondContact O-CG1 3.15Å; F70-I74 PolarHBondContact O-N 3.42Å; L71-I74 PolarHBondContact O-N 3.34Å; I74-L76 PolarHBondContact O-N 3.06Å; I74-G77 WeakPolarHBondContact O-CA 3.34Å; I74-G77 PolarHBondContact O-N 3.04Å; I74-E78 HydrophobicContact CG2-CG 4.39Å; I74-E78 WeakPolarHBondContact O-CG 3.39Å; I74-E78 PolarHBondContact O-N 3.29Å; I74-L93 HydrophobicContact CD1-CD2 3.61Å; I74-A96 HydrophobicContact CD1-CB 3.52Å; I74-A96 HydrophobicContact CG1-CB 3.79Å
75Q90.4Very high88.2Confident129 Ų12963 Ų6360%0.60333%0.329SS*.Hα-helixtrans-61.3-46.3-180-75.9178-700112.2L71 E72 G77 E78 E79L71-Q75 WeakPolarHBondContact O-CB 3.43Å; L71-Q75 VanDerWaalsContact O-CG 3.27Å; L71-Q75 WeakPolarHBondContact O-CG 3.43Å; L71-Q75 PolarHBondContact O-N 3.01Å; E72-Q75 PolarHBondContact O-N 3.21Å; Q75-G77 VanDerWaalsContact C-N 3.3Å; Q75-G77 PolarHBondContact O-N 3.44Å; Q75-E78 PolarHBondContact O-N 3.48Å; Q75-E79 WeakPolarHBondContact O-CB 3.26Å; Q75-E79 PolarHBondContact O-N 2.69Å
76L90.4Very high88.4Confident55 Ų5567.1 Ų67.129%0.28834%0.339SS..Hα-helixtrans-62-40.7175.3-72172.6000111.3E72 I74 E79 L80E72-L76 HydrophobicContact CG-CD1 4.05Å; E72-L76 WeakPolarHBondContact O-CB 3.48Å; E72-L76 VanDerWaalsContact O-CG 3.27Å; E72-L76 WeakPolarHBondContact O-CG 3.4Å; E72-L76 PolarHBondContact O-N 3.25Å; I74-L76 PolarHBondContact O-N 3.06Å; L76-E79 PolarHBondContact O-N 2.91Å; L76-L80 WeakPolarHBondContact O-CB 3.18Å; L76-L80 WeakPolarHBondContact O-CD1 3.44Å; L76-L80 WeakPolarHBondContact O-CG 3.38Å; L76-L80 PolarHBondContact O-N 3.15Å
77G89.2Confident88.5Confident0 Ų072.3 Ų72.30%036%0.361CS..Hα-helixtrans-56.5-53.5173.800000112E73 I74 Q75 E79 L80 L81E73-G77 PolarHBondContact O-N 3.17Å; I74-G77 WeakPolarHBondContact O-CA 3.34Å; I74-G77 PolarHBondContact O-N 3.04Å; Q75-G77 VanDerWaalsContact C-N 3.3Å; Q75-G77 PolarHBondContact O-N 3.44Å; G77-E79 PolarHBondContact O-N 3.32Å; G77-L80 PolarHBondContact O-N 2.83Å; G77-L81 WeakPolarHBondContact O-CG 3.2Å; G77-L81 PolarHBondContact O-N 3.43Å
78E87.9Confident88.6Confident93 Ų9371.4 Ų71.444%0.43536%0.356SS..Hα-helixtrans-62.1-41.2179-71.3-178.8164.500112.8I74 Q75 L81 A82I74-E78 HydrophobicContact CG2-CG 4.39Å; I74-E78 WeakPolarHBondContact O-CG 3.39Å; I74-E78 PolarHBondContact O-N 3.29Å; Q75-E78 PolarHBondContact O-N 3.48Å; E78-L81 PolarHBondContact O-N 3.41Å; E78-A82 PolarHBondContact O-N 2.84Å
79E91Very high88.6Confident108 Ų10864.3 Ų64.351%0.50533%0.325SS..Hα-helixtrans-63.4-45177.3-169.8-177.3171.400111.6Q75 L76 G77 L81 A82 Q83Q75-E79 WeakPolarHBondContact O-CB 3.26Å; Q75-E79 PolarHBondContact O-N 2.69Å; L76-E79 PolarHBondContact O-N 2.91Å; G77-E79 PolarHBondContact O-N 3.32Å; E79-L81 VanDerWaalsContact C-N 3.32Å; E79-L81 PolarHBondContact O-N 3.26Å; E79-A82 WeakPolarHBondContact O-CB 3.29Å; E79-A82 PolarHBondContact O-N 3.47Å; E79-A82 VanDerWaalsContact O-N 3.17Å; E79-Q83 WeakPolarHBondContact O-CG 3.34Å; E79-Q83 PolarHBondContact O-N 2.86Å; E79-Q83 PolarHBondContact OE1-NE2 3.04Å
80L89.9Confident88.6Confident25 Ų2563.7 Ų63.713%0.13132%0.322CS..Hα-helixtrans-65.2-36.9177.4-71.5166.7000111.9L76 G77 A82 Q83 G84 E85 K88 H92L76-L80 WeakPolarHBondContact O-CB 3.18Å; L76-L80 WeakPolarHBondContact O-CD1 3.44Å; L76-L80 WeakPolarHBondContact O-CG 3.38Å; L76-L80 PolarHBondContact O-N 3.15Å; G77-L80 PolarHBondContact O-N 2.83Å; L80-A82 VanDerWaalsContact C-N 3.35Å; L80-Q83 PolarHBondContact O-N 2.85Å; L80-G84 PolarHBondContact O-N 3.45Å; L80-E85 HydrophobicContact CB-CB 4.33Å; L80-E85 HydrophobicContact CD2-CB 4.18Å; L80-E85 VanDerWaalsContact CD2-OE2 3.32Å; L80-E85 WeakPolarHBondContact CD2-OE2 3.33Å; L80-E85 WeakPolarHBondContact O-CA 3.32Å; L80-E85 PolarHBondContact O-N 2.81Å; L80-K88 HydrophobicContact CD1-CB 3.87Å; L80-H92 WeakPolarHBondContact CD1-CD2 3.41Å
81L88.2Confident88.5Confident21 Ų2164.7 Ų64.711%0.1133%0.33CS..Hα-helixtrans-63.1-41.1172.3-69.3176.1000111.7G77 E78 E79 Q83 G84 Y86 L93 L114 V118G77-L81 WeakPolarHBondContact O-CG 3.2Å; G77-L81 PolarHBondContact O-N 3.43Å; E78-L81 PolarHBondContact O-N 3.41Å; E79-L81 VanDerWaalsContact C-N 3.32Å; E79-L81 PolarHBondContact O-N 3.26Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 PolarHBondContact O-N 2.83Å; L81-G84 PolarHBondContact O-N 3.35Å; L81-G84 VanDerWaalsContact O-N 3.15Å; L81-Y86 HydrophobicContact CD2-CD1 3.74Å; L81-L93 HydrophobicContact CD1-CD1 3.85Å; L81-L114 HydrophobicContact CD1-CD2 3.57Å; L81-V118 HydrophobicContact CD1-CG1 3.88Å; L81-V118 HydrophobicContact CD2-CB 4.49Å; L81-V118 HydrophobicContact CD2-CG1 3.4Å; L81-V118 HydrophobicContact CD2-CG2 4.26Å; L81-V118 HydrophobicContact CG-CG1 4.3Å
82A87.9Confident88.5Confident91 Ų9162.8 Ų62.875%0.75232%0.318SS*.Hα-helixtrans-66.3-31.8175.900000112.8E78 E79 L80 G84E78-A82 PolarHBondContact O-N 2.84Å; E79-A82 WeakPolarHBondContact O-CB 3.29Å; E79-A82 PolarHBondContact O-N 3.47Å; E79-A82 VanDerWaalsContact O-N 3.17Å; L80-A82 VanDerWaalsContact C-N 3.35Å; A82-G84 PolarHBondContact O-N 3.5Å
83Q90.8Very high88.4Confident116 Ų11659.5 Ų59.554%0.54230%0.303SS..THydrogen-bonded Turntrans-77-7.9174.5-67.5175.319.900113.5E79 L80 L81E79-Q83 WeakPolarHBondContact O-CG 3.34Å; E79-Q83 PolarHBondContact O-N 2.86Å; E79-Q83 PolarHBondContact OE1-NE2 3.04Å; L80-Q83 PolarHBondContact O-N 2.85Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 PolarHBondContact O-N 2.83Å
84G86.7Confident88.2Confident37 Ų3759.1 Ų59.138%0.38130%0.301SS..THydrogen-bonded Turntrans83.77.1-17600000114.4L80 L81 A82 Y86L80-G84 PolarHBondContact O-N 3.45Å; L81-G84 PolarHBondContact O-N 3.35Å; L81-G84 VanDerWaalsContact O-N 3.15Å; A82-G84 PolarHBondContact O-N 3.5Å; G84-Y86 VanDerWaalsContact C-N 3.27Å; G84-Y86 WeakPolarHBondContact O-CD2 3.43Å; G84-Y86 PolarHBondContact O-N 3.02Å; G84-Y86 VanDerWaalsContact O-N 3.08Å
85E88Confident87.9Confident74 Ų7460.6 Ų60.635%0.34631%0.309SS..  trans-83.965.9173.6-65.9-157.7159.900111.3L80 E87 K88 G89L80-E85 HydrophobicContact CB-CB 4.33Å; L80-E85 HydrophobicContact CD2-CB 4.18Å; L80-E85 VanDerWaalsContact CD2-OE2 3.32Å; L80-E85 WeakPolarHBondContact CD2-OE2 3.33Å; L80-E85 WeakPolarHBondContact O-CA 3.32Å; L80-E85 PolarHBondContact O-N 2.81Å; E85-E87 PolarHBondContact O-N 2.86Å; E85-K88 PolarHBondContact O-N 3.35Å; E85-K88 IonicContact OE1-NZ 3.33Å; E85-K88 PolarHBondContact OE1-NZ 3.29Å; E85-K88 WeakPolarHBondContact OE2-CD 3.35Å; E85-K88 VanDerWaalsContact OE2-CE 3.23Å; E85-K88 WeakPolarHBondContact OE2-CE 3.42Å; E85-K88 IonicContact OE2-NZ 3.03Å; E85-K88 PolarHBondContact OE2-NZ 3.23Å; E85-G89 PolarHBondContact O-N 3.39Å
86Y87Confident87.7Confident117 Ų11754.4 Ų54.446%0.45928%0.281SS..Hα-helixtrans-56.1-42.9-173.6-61-69.4000114.4L81 G84 G89 V90 V118L81-Y86 HydrophobicContact CD2-CD1 3.74Å; G84-Y86 VanDerWaalsContact C-N 3.27Å; G84-Y86 WeakPolarHBondContact O-CD2 3.43Å; G84-Y86 PolarHBondContact O-N 3.02Å; G84-Y86 VanDerWaalsContact O-N 3.08Å; Y86-G89 PolarHBondContact O-N 3.22Å; Y86-V90 WeakPolarHBondContact O-CB 3.47Å; Y86-V90 WeakPolarHBondContact O-CG2 3.33Å; Y86-V90 PolarHBondContact O-N 2.91Å; Y86-V118 HydrophobicContact CD1-CG2 3.58Å; Y86-V118 HydrophobicContact CE1-CG2 3.71Å
87E85.7Confident87.4Confident134 Ų13452.5 Ų52.563%0.62627%0.27SS*.Hα-helixtrans-62.8-47-177.7-65.2-171.1162.100112.3E85 V90 D91 M121E85-E87 PolarHBondContact O-N 2.86Å; E87-V90 PolarHBondContact O-N 3.46Å; E87-D91 PolarHBondContact O-N 3.39Å; E87-M121 HydrophobicContact CG-SD 4.29Å
88K85.8Confident87.1Confident105 Ų10554.7 Ų54.746%0.45729%0.288SS..Hα-helixtrans-71.3-39.2-179.7-59.6-166.2-153.4144.60111.2L80 E85 V90 D91 H92L80-K88 HydrophobicContact CD1-CB 3.87Å; E85-K88 PolarHBondContact O-N 3.35Å; E85-K88 IonicContact OE1-NZ 3.33Å; E85-K88 PolarHBondContact OE1-NZ 3.29Å; E85-K88 WeakPolarHBondContact OE2-CD 3.35Å; E85-K88 VanDerWaalsContact OE2-CE 3.23Å; E85-K88 WeakPolarHBondContact OE2-CE 3.42Å; E85-K88 IonicContact OE2-NZ 3.03Å; E85-K88 PolarHBondContact OE2-NZ 3.23Å; K88-V90 VanDerWaalsContact C-N 3.29Å; K88-V90 PolarHBondContact O-N 3.36Å; K88-D91 PolarHBondContact O-N 3.43Å; K88-H92 PolarHBondContact O-CD2 3.34Å; K88-H92 VanDerWaalsContact O-CD2 3.29Å; K88-H92 PolarHBondContact O-N 3.09Å; K88-H92 VanDerWaalsContact O-N 3.09Å
89G87.7Confident86.8Confident0 Ų051.2 Ų51.20%027%0.274CS..Hα-helixtrans-58.3-43.5175.600000111.8E85 Y86 H92 L93E85-G89 PolarHBondContact O-N 3.39Å; Y86-G89 PolarHBondContact O-N 3.22Å; G89-H92 PolarHBondContact O-N 3.4Å; G89-L93 WeakPolarHBondContact O-CG 3.41Å; G89-L93 PolarHBondContact O-N 2.93Å
90V87.3Confident86.2Confident0 Ų048 Ų480%026%0.262CS..Hα-helixtrans-64.4-40.5174.8169.10000112.3Y86 E87 K88 H92 L93 T94 V118 M121 L122 K125Y86-V90 WeakPolarHBondContact O-CB 3.47Å; Y86-V90 WeakPolarHBondContact O-CG2 3.33Å; Y86-V90 PolarHBondContact O-N 2.91Å; E87-V90 PolarHBondContact O-N 3.46Å; K88-V90 VanDerWaalsContact C-N 3.29Å; K88-V90 PolarHBondContact O-N 3.36Å; V90-H92 VanDerWaalsContact C-N 3.33Å; V90-H92 PolarHBondContact O-N 3.39Å; V90-L93 PolarHBondContact O-N 2.92Å; V90-T94 PolarHBondContact O-N 3.32Å; V90-T94 PolarHBondContact O-OG1 3.23Å; V90-V118 HydrophobicContact CG2-CG1 4.05Å; V90-M121 HydrophobicContact CG2-CB 4.21Å; V90-M121 HydrophobicContact CG2-CG 4.14Å; V90-M121 HydrophobicContact CG2-SD 4.1Å; V90-L122 HydrophobicContact CG1-CB 4.16Å; V90-L122 HydrophobicContact CG1-CD1 3.88Å; V90-K125 HydrophobicContact CG1-CB 4.24Å; V90-K125 HydrophobicContact CG1-CG 3.9Å
91D87.3Confident85.6Confident68 Ų6850.5 Ų50.536%0.36430%0.295SS..Hα-helixtrans-59.9-43.7177.2-73-20.6000111.2E87 K88 T94 N95 K125E87-D91 PolarHBondContact O-N 3.39Å; K88-D91 PolarHBondContact O-N 3.43Å; D91-T94 PolarHBondContact O-N 2.83Å; D91-N95 VanDerWaalsContact O-CG 3.29Å; D91-N95 PolarHBondContact O-N 3.42Å; D91-N95 PolarHBondContact O-ND2 3.46Å; D91-K125 IonicContact OD1-NZ 3.03Å
92H89Confident85.1Confident46 Ų4655.5 Ų55.521%0.21332%0.318CS..Hα-helixtrans-64.5-45.6175.6-80.4-71.8000112.9E73 L80 K88 G89 V90 T94 N95 A96E73-H92 IonicContact OE1-CE1 3.78Å; E73-H92 IonicContact OE1-ND1 2.74Å; E73-H92 PolarHBondContact OE1-ND1 2.87Å; E73-H92 WeakPolarHBondContact OE2-CA 3.47Å; E73-H92 IonicContact OE2-CE1 2.67Å; E73-H92 IonicContact OE2-CG 3.49Å; E73-H92 IonicContact OE2-ND1 3.97Å; E73-H92 PolarHBondContact OE2-ND1 3.19Å; L80-H92 WeakPolarHBondContact CD1-CD2 3.41Å; K88-H92 PolarHBondContact O-CD2 3.34Å; K88-H92 VanDerWaalsContact O-CD2 3.29Å; K88-H92 PolarHBondContact O-N 3.09Å; K88-H92 VanDerWaalsContact O-N 3.09Å; G89-H92 PolarHBondContact O-N 3.4Å; V90-H92 VanDerWaalsContact C-N 3.33Å; V90-H92 PolarHBondContact O-N 3.39Å; H92-T94 PolarHBondContact O-N 2.86Å; H92-N95 WeakPolarHBondContact O-CB 3.36Å; H92-N95 PolarHBondContact O-N 2.94Å; H92-N95 VanDerWaalsContact O-N 3.14Å; H92-A96 PolarHBondContact O-N 3.44Å
93L87.6Confident84.6Confident1 Ų153.8 Ų53.81%0.00530%0.299CS..Hα-helixtrans-58.4-36.2174-70177.7000111.8I74 L81 G89 V90 A96 I97 L110 L114 L122I74-L93 HydrophobicContact CD1-CD2 3.61Å; L81-L93 HydrophobicContact CD1-CD1 3.85Å; G89-L93 WeakPolarHBondContact O-CG 3.41Å; G89-L93 PolarHBondContact O-N 2.93Å; V90-L93 PolarHBondContact O-N 2.92Å; L93-A96 WeakPolarHBondContact O-CB 3.46Å; L93-A96 PolarHBondContact O-N 3.47Å; L93-I97 VanDerWaalsContact O-CG1 3.3Å; L93-I97 WeakPolarHBondContact O-CG1 3.22Å; L93-I97 PolarHBondContact O-N 2.86Å; L93-L110 HydrophobicContact CD2-CD2 4.09Å; L93-L114 HydrophobicContact CD1-CD1 3.6Å; L93-L122 HydrophobicContact CB-CD1 3.98Å
94T84.7Confident83.9Confident0 Ų056.2 Ų56.20%031%0.31CS..Hα-helixtrans-74.3-31.7179.4-35.10000112.6V90 D91 H92 I97 A98 L122 L126 I129V90-T94 PolarHBondContact O-N 3.32Å; V90-T94 PolarHBondContact O-OG1 3.23Å; D91-T94 PolarHBondContact O-N 2.83Å; H92-T94 PolarHBondContact O-N 2.86Å; T94-I97 PolarHBondContact O-N 2.84Å; T94-A98 PolarHBondContact O-N 3.26Å; T94-L122 WeakPolarHBondContact OG1-CD1 3.39Å; T94-L126 HydrophobicContact CG2-CD2 3.82Å; T94-I129 VanDerWaalsContact CB-CD1 3.41Å; T94-I129 HydrophobicContact CG2-CB 4.13Å; T94-I129 HydrophobicContact CG2-CD1 3.13Å; T94-I129 HydrophobicContact CG2-CG1 4.14Å; T94-I129 HydrophobicContact CG2-CG2 4.26Å
95N84.2Confident83.6Confident52 Ų5260.3 Ų60.328%0.27832%0.319SS..Hα-helixtrans-63.9-41169.4-62.6-28.3000111.6E73 D91 H92 I97 A98 V99E73-N95 HydrophobicContact CG-CB 4.25Å; E73-N95 VanDerWaalsContact OE2-CB 3.31Å; E73-N95 WeakPolarHBondContact OE2-CB 3.31Å; E73-N95 PolarHBondContact OE2-ND2 3.35Å; D91-N95 VanDerWaalsContact O-CG 3.29Å; D91-N95 PolarHBondContact O-N 3.42Å; D91-N95 PolarHBondContact O-ND2 3.46Å; H92-N95 WeakPolarHBondContact O-CB 3.36Å; H92-N95 PolarHBondContact O-N 2.94Å; H92-N95 VanDerWaalsContact O-N 3.14Å; N95-I97 VanDerWaalsContact C-N 3.33Å; N95-I97 PolarHBondContact O-N 3.14Å; N95-A98 WeakPolarHBondContact O-CB 3.38Å; N95-A98 PolarHBondContact O-N 3.35Å; N95-A98 VanDerWaalsContact O-N 3.17Å; N95-V99 PolarHBondContact O-N 3.31Å
96A85.9Confident83.3Confident0 Ų057.8 Ų57.80%031%0.308CS..Hα-helixtrans-62.2-40175.300000111.9F70 E73 I74 H92 L93 A98 V99 C100F70-A96 HydrophobicContact CD2-CB 3.85Å; F70-A96 WeakPolarHBondContact CD2-O 3.43Å; F70-A96 HydrophobicContact CE2-CB 3.94Å; E73-A96 HydrophobicContact CB-CB 3.89Å; I74-A96 HydrophobicContact CD1-CB 3.52Å; I74-A96 HydrophobicContact CG1-CB 3.79Å; H92-A96 PolarHBondContact O-N 3.44Å; L93-A96 WeakPolarHBondContact O-CB 3.46Å; L93-A96 PolarHBondContact O-N 3.47Å; A96-A98 VanDerWaalsContact C-N 3.33Å; A96-A98 PolarHBondContact O-N 2.95Å; A96-V99 WeakPolarHBondContact O-CG2 3.43Å; A96-V99 PolarHBondContact O-N 2.72Å; A96-C100 PolarHBondContact O-N 3.38Å
97I84.4Confident83Confident14 Ų1454.1 Ų54.17%0.07230%0.296CS..Hα-helixtrans-64.6-38.2174.2-66.2164.2000111L93 T94 N95 V99 C100 P103 L106 L107 L110 L122 L126L93-I97 VanDerWaalsContact O-CG1 3.3Å; L93-I97 WeakPolarHBondContact O-CG1 3.22Å; L93-I97 PolarHBondContact O-N 2.86Å; T94-I97 PolarHBondContact O-N 2.84Å; N95-I97 VanDerWaalsContact C-N 3.33Å; N95-I97 PolarHBondContact O-N 3.14Å; I97-V99 VanDerWaalsContact C-N 3.27Å; I97-V99 PolarHBondContact O-N 3.01Å; I97-C100 WeakPolarHBondContact O-CB 3.38Å; I97-C100 PolarHBondContact O-N 3.01Å; I97-C100 VanDerWaalsContact O-N 3.14Å; I97-P103 HydrophobicContact CG2-CB 3.86Å; I97-L106 HydrophobicContact CB-CD2 4.32Å; I97-L106 HydrophobicContact CG1-CD2 3.6Å; I97-L106 HydrophobicContact CG1-CG 4.29Å; I97-L107 HydrophobicContact CD1-CD2 3.99Å; I97-L110 HydrophobicContact CD1-CD1 3.94Å; I97-L110 HydrophobicContact CG1-CD1 4.26Å; I97-L122 HydrophobicContact CD1-CD1 4.15Å; I97-L122 HydrophobicContact CD1-CD2 4.07Å; I97-L122 HydrophobicContact CD1-CG 4.43Å; I97-L126 HydrophobicContact CD1-CD2 4.14Å; I97-L126 HydrophobicContact CG2-CD2 4.33Å
98A81.7Confident82.9Confident46 Ų4653.8 Ų53.838%0.3830%0.295SS..Hα-helixtrans-64.6-28.3-178.400000113.8T94 N95 A96 I129 I133T94-A98 PolarHBondContact O-N 3.26Å; N95-A98 WeakPolarHBondContact O-CB 3.38Å; N95-A98 PolarHBondContact O-N 3.35Å; N95-A98 VanDerWaalsContact O-N 3.17Å; A96-A98 VanDerWaalsContact C-N 3.33Å; A96-A98 PolarHBondContact O-N 2.95Å; A98-I129 HydrophobicContact CB-CG2 4.33Å; A98-I133 HydrophobicContact CB-CD1 4.08Å
99V81.2Confident82.8Confident21 Ų2152.7 Ų52.713%0.12730%0.296CS..Hα-helixtrans-91.1-10.1176.2-60.90000113.4L57 V66 F69 F70 N95 A96 I97L57-V99 HydrophobicContact CD2-CG1 4.23Å; V66-V99 HydrophobicContact CG1-CB 4.2Å; F69-V99 HydrophobicContact CD1-CB 4.43Å; F69-V99 HydrophobicContact CD1-CG1 3.76Å; F69-V99 HydrophobicContact CD1-CG2 3.99Å; F69-V99 HydrophobicContact CE1-CG1 3.7Å; F69-V99 HydrophobicContact CE1-CG2 4.34Å; F70-V99 HydrophobicContact CB-CG2 4.15Å; F70-V99 HydrophobicContact CD2-CG2 4.29Å; N95-V99 PolarHBondContact O-N 3.31Å; A96-V99 WeakPolarHBondContact O-CG2 3.43Å; A96-V99 PolarHBondContact O-N 2.72Å; I97-V99 VanDerWaalsContact C-N 3.27Å; I97-V99 PolarHBondContact O-N 3.01Å
100C78.3Confident82.6Confident39 Ų3952.9 Ų52.926%0.26430%0.298SS..  trans-80.8124.4-179.2-1710000110.5A96 I97 Q102 L106A96-C100 PolarHBondContact O-N 3.38Å; I97-C100 WeakPolarHBondContact O-CB 3.38Å; I97-C100 PolarHBondContact O-N 3.01Å; I97-C100 VanDerWaalsContact O-N 3.14Å; C100-Q102 PolarHBondContact O-N 3.45Å; C100-Q102 PolarHBondContact SG-N 3.39Å; C100-L106 HydrophobicContact CB-CD2 4.05Å
101G78.5Confident82.4Confident79 Ų7958.1 Ų58.181%0.81432%0.322SS*.SBendtrans-67.4-14.117400000114.2
102Q77.3Confident82.3Confident126 Ų12662.2 Ų62.259%0.58934%0.339SS*.  trans-132.271.4-178.1-65.6-174.61.600111.4C100 Q104 Q105C100-Q102 PolarHBondContact O-N 3.45Å; C100-Q102 PolarHBondContact SG-N 3.39Å; Q102-Q104 PolarHBondContact O-N 3.44Å; Q102-Q104 VanDerWaalsContact O-N 3.15Å; Q102-Q105 PolarHBondContact O-N 3.4Å
103P77.7Confident82.1Confident55 Ų5564 Ų6436%0.35735%0.353SS..Hα-helixtrans-61.4-28.1-175.525-35.2000113.1I97 L106 L107I97-P103 HydrophobicContact CG2-CB 3.86Å; P103-L106 PolarHBondContact O-N 3.31Å; P103-L107 WeakPolarHBondContact O-CB 3.47Å; P103-L107 VanDerWaalsContact O-CG 3.22Å; P103-L107 WeakPolarHBondContact O-CG 3.38Å; P103-L107 PolarHBondContact O-N 3.06Å
104Q76.9Confident81.8Confident166 Ų16664.9 Ų64.978%0.77636%0.358SS*.Hα-helixtrans-65-43.4-179.3-67.4-178.4-9.200113Q102 L107 Q108Q102-Q104 PolarHBondContact O-N 3.44Å; Q102-Q104 VanDerWaalsContact O-N 3.15Å; Q104-L107 PolarHBondContact O-N 3.3Å; Q104-Q108 PolarHBondContact O-N 3.19Å; Q104-Q108 VanDerWaalsContact O-N 3.13Å
105Q80.2Confident81.7Confident123 Ų12368.5 Ų68.558%0.57538%0.381SS*.Hα-helixtrans-67.3-42.1179.4-171.2175.424.400110.6Q102 Q108 V109Q102-Q105 PolarHBondContact O-N 3.4Å; Q105-Q108 PolarHBondContact O-N 3.03Å; Q105-V109 WeakPolarHBondContact O-CG2 2.95Å; Q105-V109 PolarHBondContact O-N 2.91Å; Q105-V109 VanDerWaalsContact O-N 3.16Å
106L80.9Confident81.6Confident21 Ų2170.9 Ų70.911%0.1140%0.399CS..Hα-helixtrans-64-42.9176.8-17959.7000112F70 I97 C100 P103 Q108 V109 L110F70-L106 HydrophobicContact CE2-CD1 4.03Å; F70-L106 HydrophobicContact CE2-CD2 3.5Å; F70-L106 VanDerWaalsContact CE2-CD2 3.5Å; F70-L106 HydrophobicContact CE2-CG 4.41Å; F70-L106 HydrophobicContact CZ-CD1 3.66Å; F70-L106 HydrophobicContact CZ-CD2 4.03Å; F70-L106 HydrophobicContact CZ-CG 4.49Å; I97-L106 HydrophobicContact CB-CD2 4.32Å; I97-L106 HydrophobicContact CG1-CD2 3.6Å; I97-L106 HydrophobicContact CG1-CG 4.29Å; C100-L106 HydrophobicContact CB-CD2 4.05Å; P103-L106 PolarHBondContact O-N 3.31Å; L106-Q108 VanDerWaalsContact C-N 3.28Å; L106-Q108 PolarHBondContact O-N 2.88Å; L106-V109 PolarHBondContact O-N 3.36Å; L106-L110 HydrophobicContact CD1-CD1 4.36Å; L106-L110 HydrophobicContact CD1-CG 4.26Å; L106-L110 HydrophobicContact CG-CD1 4.05Å; L106-L110 HydrophobicContact CG-CG 4.38Å; L106-L110 WeakPolarHBondContact O-CG 3.3Å; L106-L110 PolarHBondContact O-N 3.05Å
107L81.9Confident81.5Confident40 Ų4075.6 Ų75.621%0.20943%0.43CS..Hα-helixtrans-60.5-38.1176.2-78.4170.8000112.2I97 P103 Q104 L110 Q111 F119 L122 L126I97-L107 HydrophobicContact CD1-CD2 3.99Å; P103-L107 WeakPolarHBondContact O-CB 3.47Å; P103-L107 VanDerWaalsContact O-CG 3.22Å; P103-L107 WeakPolarHBondContact O-CG 3.38Å; P103-L107 PolarHBondContact O-N 3.06Å; Q104-L107 PolarHBondContact O-N 3.3Å; L107-L110 PolarHBondContact O-N 3.3Å; L107-Q111 WeakPolarHBondContact O-CB 3.24Å; L107-Q111 PolarHBondContact O-N 3.44Å; L107-F119 HydrophobicContact CD2-CE2 4.35Å; L107-L122 HydrophobicContact CD2-CD2 4.26Å; L107-L126 HydrophobicContact CD1-CD1 4.41Å; L107-L126 HydrophobicContact CD2-CD1 4.02Å
108Q81.6Confident81.4Confident128 Ų12875.2 Ų75.260%0.59843%0.428SS*.Hα-helixtrans-65.2-41.5176.2-170.8178.111.500111.7Q104 Q105 L106 Q111 Q112Q104-Q108 PolarHBondContact O-N 3.19Å; Q104-Q108 VanDerWaalsContact O-N 3.13Å; Q105-Q108 PolarHBondContact O-N 3.03Å; L106-Q108 VanDerWaalsContact C-N 3.28Å; L106-Q108 PolarHBondContact O-N 2.88Å; Q108-Q111 PolarHBondContact O-N 3.2Å; Q108-Q112 WeakPolarHBondContact O-CG 3.38Å; Q108-Q112 PolarHBondContact O-N 2.95Å
109V85Confident81.6Confident81 Ų8174.3 Ų74.349%0.49142%0.416SS..Hα-helixtrans-64-48.2175.1175.40000110.4Q105 L106 Q111 Q112 T113Q105-V109 WeakPolarHBondContact O-CG2 2.95Å; Q105-V109 PolarHBondContact O-N 2.91Å; Q105-V109 VanDerWaalsContact O-N 3.16Å; L106-V109 PolarHBondContact O-N 3.36Å; V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 2.82Å; V109-Q112 PolarHBondContact O-N 3.43Å; V109-T113 HydrophobicContact CG1-CG2 4.29Å; V109-T113 PolarHBondContact O-N 3.29Å; V109-T113 PolarHBondContact O-OG1 3.4Å
110L84Confident81.6Confident5 Ų578.8 Ų78.83%0.02644%0.436CS..Hα-helixtrans-61.5-33178.7-69.4175.4000112.7L93 I97 L106 L107 Q112 T113 L114 F119 L122L93-L110 HydrophobicContact CD2-CD2 4.09Å; I97-L110 HydrophobicContact CD1-CD1 3.94Å; I97-L110 HydrophobicContact CG1-CD1 4.26Å; L106-L110 HydrophobicContact CD1-CD1 4.36Å; L106-L110 HydrophobicContact CD1-CG 4.26Å; L106-L110 HydrophobicContact CG-CD1 4.05Å; L106-L110 HydrophobicContact CG-CG 4.38Å; L106-L110 WeakPolarHBondContact O-CG 3.3Å; L106-L110 PolarHBondContact O-N 3.05Å; L107-L110 PolarHBondContact O-N 3.3Å; L110-Q112 VanDerWaalsContact C-N 3.27Å; L110-Q112 PolarHBondContact O-N 3.03Å; L110-T113 WeakPolarHBondContact CA-OG1 3.25Å; L110-T113 PolarHBondContact O-N 2.88Å; L110-T113 PolarHBondContact O-OG1 2.89Å; L110-L114 HydrophobicContact CB-CD1 4.25Å; L110-L114 HydrophobicContact CD2-CD1 4.18Å; L110-L114 HydrophobicContact CD2-CG 4.5Å; L110-L114 VanDerWaalsContact O-CB 3.24Å; L110-L114 WeakPolarHBondContact O-CB 3.38Å; L110-L114 WeakPolarHBondContact O-CG 3.21Å; L110-L114 PolarHBondContact O-N 3.48Å; L110-F119 HydrophobicContact CB-CE2 4.48Å; L110-L122 HydrophobicContact CD1-CD2 4.1Å
111Q82.5Confident81.8Confident109 Ų10979.9 Ų79.951%0.50944%0.438SS..Hα-helixtrans-65.3-31.1174.5-172.6-176.8300112.4L107 Q108 V109 F119L107-Q111 WeakPolarHBondContact O-CB 3.24Å; L107-Q111 PolarHBondContact O-N 3.44Å; Q108-Q111 PolarHBondContact O-N 3.2Å; V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 2.82Å; Q111-F119 HydrophobicContact CB-CD2 4.34Å; Q111-F119 HydrophobicContact CB-CE1 4.34Å; Q111-F119 HydrophobicContact CB-CE2 3.86Å; Q111-F119 HydrophobicContact CB-CZ 3.86Å; Q111-F119 HydrophobicContact CG-CD1 4.48Å; Q111-F119 HydrophobicContact CG-CE1 4.14Å; Q111-F119 HydrophobicContact CG-CE2 4.5Å; Q111-F119 HydrophobicContact CG-CZ 4.15Å
112Q84.9Confident82.1Confident155 Ų15576.1 Ų76.172%0.72440%0.399SS*.Hα-helixtrans-84.5-28.5178.5-62.2-61.4-48.600112.5Q108 V109 L110Q108-Q112 WeakPolarHBondContact O-CG 3.38Å; Q108-Q112 PolarHBondContact O-N 2.95Å; V109-Q112 PolarHBondContact O-N 3.43Å; L110-Q112 VanDerWaalsContact C-N 3.27Å; L110-Q112 PolarHBondContact O-N 3.03Å
113T84.8Confident82.2Confident82 Ų8273.3 Ų73.350%0.50339%0.387SS..Hα-helixtrans-92.5-28-176.9590000113.8V109 L110V109-T113 HydrophobicContact CG1-CG2 4.29Å; V109-T113 PolarHBondContact O-N 3.29Å; V109-T113 PolarHBondContact O-OG1 3.4Å; L110-T113 WeakPolarHBondContact CA-OG1 3.25Å; L110-T113 PolarHBondContact O-N 2.88Å; L110-T113 PolarHBondContact O-OG1 2.89Å
114L82.3Confident82.4Confident20 Ų2075.1 Ų75.111%0.10540%0.397CS..SBendtrans-99.1144.3-174.5-61-179000113.4L81 L93 L110 V118L81-L114 HydrophobicContact CD1-CD2 3.57Å; L93-L114 HydrophobicContact CD1-CD1 3.6Å; L110-L114 HydrophobicContact CB-CD1 4.25Å; L110-L114 HydrophobicContact CD2-CD1 4.18Å; L110-L114 HydrophobicContact CD2-CG 4.5Å; L110-L114 VanDerWaalsContact O-CB 3.24Å; L110-L114 WeakPolarHBondContact O-CB 3.38Å; L110-L114 WeakPolarHBondContact O-CG 3.21Å; L110-L114 PolarHBondContact O-N 3.48Å; L114-V118 HydrophobicContact CD1-CG1 4.24Å
115P82.1Confident82.3Confident77 Ų7770.5 Ų70.550%0.538%0.375SS..  trans-58.1143.1169.4-2434000112.1P117 V118 F119P115-P117 VanDerWaalsContact C-N 3.33Å; P115-P117 VanDerWaalsContact O-N 3.14Å; P115-V118 HydrophobicContact CB-CG2 4.4Å; P115-V118 PolarHBondContact O-N 3.46Å; P115-F119 PolarHBondContact O-N 3.44Å; P115-F119 VanDerWaalsContact O-N 3.16Å
116P82.2Confident81.8Confident101 Ų10166.3 Ų66.366%0.65636%0.356SS*.Hα-helixtrans-51.3-38.4-178.1-26.232.4000115.8V118 F119 Q120P116-V118 VanDerWaalsContact C-N 3.35Å; P116-V118 PolarHBondContact O-N 2.88Å; P116-F119 PolarHBondContact O-N 2.85Å; P116-Q120 WeakPolarHBondContact O-CG 3.31Å; P116-Q120 PolarHBondContact O-N 3.23Å
117P83.2Confident81.3Confident99 Ų9968.7 Ų68.764%0.64337%0.373SS*.Hα-helixtrans-63.4-36.7177.3-23.535000113.9P115 M121P115-P117 VanDerWaalsContact C-N 3.33Å; P115-P117 VanDerWaalsContact O-N 3.14Å; P117-M121 PolarHBondContact O-N 3.46Å; P117-M121 VanDerWaalsContact O-N 3.17Å
118V83Confident80.5Confident6 Ų669.7 Ų69.74%0.03638%0.381CS..Hα-helixtrans-71.5-42.9178.5-178.60000110L81 Y86 V90 L114 P115 P116 Q120 M121 L122L81-V118 HydrophobicContact CD1-CG1 3.88Å; L81-V118 HydrophobicContact CD2-CB 4.49Å; L81-V118 HydrophobicContact CD2-CG1 3.4Å; L81-V118 HydrophobicContact CD2-CG2 4.26Å; L81-V118 HydrophobicContact CG-CG1 4.3Å; Y86-V118 HydrophobicContact CD1-CG2 3.58Å; Y86-V118 HydrophobicContact CE1-CG2 3.71Å; V90-V118 HydrophobicContact CG2-CG1 4.05Å; L114-V118 HydrophobicContact CD1-CG1 4.24Å; P115-V118 HydrophobicContact CB-CG2 4.4Å; P115-V118 PolarHBondContact O-N 3.46Å; P116-V118 VanDerWaalsContact C-N 3.35Å; P116-V118 PolarHBondContact O-N 2.88Å; V118-Q120 VanDerWaalsContact C-N 3.33Å; V118-Q120 PolarHBondContact O-N 2.9Å; V118-M121 WeakPolarHBondContact O-CB 3.32Å; V118-M121 PolarHBondContact O-N 3.33Å; V118-M121 VanDerWaalsContact O-N 3.15Å; V118-L122 PolarHBondContact O-N 2.9Å
119F85Confident79.6Confident27 Ų2764.7 Ų64.712%0.11836%0.358CS..Hα-helixtrans-62.5-40.2177-170.6-104.6000111.9L107 L110 Q111 P115 P116 M121 L122 L123L107-F119 HydrophobicContact CD2-CE2 4.35Å; L110-F119 HydrophobicContact CB-CE2 4.48Å; Q111-F119 HydrophobicContact CB-CD2 4.34Å; Q111-F119 HydrophobicContact CB-CE1 4.34Å; Q111-F119 HydrophobicContact CB-CE2 3.86Å; Q111-F119 HydrophobicContact CB-CZ 3.86Å; Q111-F119 HydrophobicContact CG-CD1 4.48Å; Q111-F119 HydrophobicContact CG-CE1 4.14Å; Q111-F119 HydrophobicContact CG-CE2 4.5Å; Q111-F119 HydrophobicContact CG-CZ 4.15Å; P115-F119 PolarHBondContact O-N 3.44Å; P115-F119 VanDerWaalsContact O-N 3.16Å; P116-F119 PolarHBondContact O-N 2.85Å; F119-M121 VanDerWaalsContact C-N 3.34Å; F119-M121 PolarHBondContact O-N 2.91Å; F119-L122 HydrophobicContact CD2-CD2 4.25Å; F119-L122 HydrophobicContact CE2-CD2 4.39Å; F119-L122 WeakPolarHBondContact O-CB 3.29Å; F119-L122 PolarHBondContact O-N 3.47Å; F119-L123 HydrophobicContact CD1-CD1 4.06Å; F119-L123 HydrophobicContact CD1-CG 4.27Å; F119-L123 HydrophobicContact CE1-CD1 3.8Å; F119-L123 HydrophobicContact CE1-CD2 4.17Å; F119-L123 HydrophobicContact CE1-CG 4.04Å; F119-L123 HydrophobicContact CZ-CD2 4.2Å; F119-L123 HydrophobicContact CZ-CG 4.5Å; F119-L123 WeakPolarHBondContact O-CG 3.43Å; F119-L123 PolarHBondContact O-N 3.4Å
120Q82.1Confident78.3Confident116 Ų11664.2 Ų64.254%0.54236%0.358SS..Hα-helixtrans-61.7-41.5173.1-72.4-66.2-1700112.1P116 V118 L122 L123 T124P116-Q120 WeakPolarHBondContact O-CG 3.31Å; P116-Q120 PolarHBondContact O-N 3.23Å; V118-Q120 VanDerWaalsContact C-N 3.33Å; V118-Q120 PolarHBondContact O-N 2.9Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 2.9Å; Q120-L123 PolarHBondContact O-N 3.42Å; Q120-T124 WeakPolarHBondContact O-CG2 3.28Å; Q120-T124 PolarHBondContact O-N 3.36Å
121M82.7Confident77.1Confident62 Ų6270.5 Ų70.531%0.30539%0.387SS..Hα-helixtrans-61.4-41.6175.3-169.6-179.3-6300111.7E87 V90 P117 V118 F119 L123 T124 K125E87-M121 HydrophobicContact CG-SD 4.29Å; V90-M121 HydrophobicContact CG2-CB 4.21Å; V90-M121 HydrophobicContact CG2-CG 4.14Å; V90-M121 HydrophobicContact CG2-SD 4.1Å; P117-M121 PolarHBondContact O-N 3.46Å; P117-M121 VanDerWaalsContact O-N 3.17Å; V118-M121 WeakPolarHBondContact O-CB 3.32Å; V118-M121 PolarHBondContact O-N 3.33Å; V118-M121 VanDerWaalsContact O-N 3.15Å; F119-M121 VanDerWaalsContact C-N 3.34Å; F119-M121 PolarHBondContact O-N 2.91Å; M121-L123 PolarHBondContact O-N 2.91Å; M121-T124 PolarHBondContact O-N 3.5Å; M121-T124 PolarHBondContact O-OG1 3.42Å; M121-K125 WeakPolarHBondContact O-CG 3.28Å; M121-K125 PolarHBondContact O-N 3.22Å
122L83.1Confident75.9Confident0 Ų073.1 Ų73.10%039%0.392CS..Hα-helixtrans-57.3-47.4171.9-17572.8000111.7V90 L93 T94 I97 L107 L110 V118 F119 Q120 T124 K125 L126V90-L122 HydrophobicContact CG1-CB 4.16Å; V90-L122 HydrophobicContact CG1-CD1 3.88Å; L93-L122 HydrophobicContact CB-CD1 3.98Å; T94-L122 WeakPolarHBondContact OG1-CD1 3.39Å; I97-L122 HydrophobicContact CD1-CD1 4.15Å; I97-L122 HydrophobicContact CD1-CD2 4.07Å; I97-L122 HydrophobicContact CD1-CG 4.43Å; L107-L122 HydrophobicContact CD2-CD2 4.26Å; L110-L122 HydrophobicContact CD1-CD2 4.1Å; V118-L122 PolarHBondContact O-N 2.9Å; F119-L122 HydrophobicContact CD2-CD2 4.25Å; F119-L122 HydrophobicContact CE2-CD2 4.39Å; F119-L122 WeakPolarHBondContact O-CB 3.29Å; F119-L122 PolarHBondContact O-N 3.47Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 2.9Å; L122-T124 VanDerWaalsContact C-N 3.27Å; L122-T124 PolarHBondContact O-N 2.89Å; L122-K125 PolarHBondContact O-N 3.44Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 2.88Å
123L81.1Confident74.5Confident67 Ų6768.8 Ų68.835%0.35137%0.374SS..Hα-helixtrans-60.7-34.2178.5-66.7-178.6000113.1F119 Q120 M121 K125 L126 P127F119-L123 HydrophobicContact CD1-CD1 4.06Å; F119-L123 HydrophobicContact CD1-CG 4.27Å; F119-L123 HydrophobicContact CE1-CD1 3.8Å; F119-L123 HydrophobicContact CE1-CD2 4.17Å; F119-L123 HydrophobicContact CE1-CG 4.04Å; F119-L123 HydrophobicContact CZ-CD2 4.2Å; F119-L123 HydrophobicContact CZ-CG 4.5Å; F119-L123 WeakPolarHBondContact O-CG 3.43Å; F119-L123 PolarHBondContact O-N 3.4Å; Q120-L123 PolarHBondContact O-N 3.42Å; M121-L123 PolarHBondContact O-N 2.91Å; L123-K125 VanDerWaalsContact C-N 3.27Å; L123-K125 PolarHBondContact O-N 3.26Å; L123-L126 HydrophobicContact CD2-CD1 3.72Å; L123-P127 WeakPolarHBondContact O-CD 3.39Å
124T81.8Confident73.2Confident92 Ų9269.1 Ų69.156%0.56438%0.375SS*.Hα-helixtrans-69.1-25.2175.764.10000113.4Q120 M121 L122Q120-T124 WeakPolarHBondContact O-CG2 3.28Å; Q120-T124 PolarHBondContact O-N 3.36Å; M121-T124 PolarHBondContact O-N 3.5Å; M121-T124 PolarHBondContact O-OG1 3.42Å; L122-T124 VanDerWaalsContact C-N 3.27Å; L122-T124 PolarHBondContact O-N 2.89Å
125K72.8Confident71.9Confident69 Ų6971.2 Ų71.230%0.339%0.392SS..Hα-helixtrans-90.6-27-178.5-65.5-78.7-173.9149.40113.3V90 D91 M121 L122 L123 T128 I129V90-K125 HydrophobicContact CG1-CB 4.24Å; V90-K125 HydrophobicContact CG1-CG 3.9Å; D91-K125 IonicContact OD1-NZ 3.03Å; M121-K125 WeakPolarHBondContact O-CG 3.28Å; M121-K125 PolarHBondContact O-N 3.22Å; L122-K125 PolarHBondContact O-N 3.44Å; L123-K125 VanDerWaalsContact C-N 3.27Å; L123-K125 PolarHBondContact O-N 3.26Å; K125-T128 WeakPolarHBondContact O-CB 3.5Å; K125-T128 PolarHBondContact O-N 2.97Å; K125-I129 PolarHBondContact O-N 3Å
126L71.5Confident70.6Confident35 Ų3570.4 Ų70.418%0.18339%0.392CS..Hα-helixtrans-52.2-46.8176.9-75.9176.3000115.3T94 I97 L107 L122 L123 T128 I129 S130T94-L126 HydrophobicContact CG2-CD2 3.82Å; I97-L126 HydrophobicContact CD1-CD2 4.14Å; I97-L126 HydrophobicContact CG2-CD2 4.33Å; L107-L126 HydrophobicContact CD1-CD1 4.41Å; L107-L126 HydrophobicContact CD2-CD1 4.02Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 2.88Å; L123-L126 HydrophobicContact CD2-CD1 3.72Å; L126-T128 VanDerWaalsContact C-N 3.26Å; L126-T128 PolarHBondContact O-N 3.35Å; L126-I129 PolarHBondContact O-N 3.44Å; L126-S130 PolarHBondContact O-N 3.02Å
127P69.6Low69.1Low71 Ų7171.3 Ų71.346%0.46139%0.387SS..Hα-helixtrans-63.1-32.3-178.921.9-32.5000112.7L123 I129 Q131L123-P127 WeakPolarHBondContact O-CD 3.39Å; P127-I129 VanDerWaalsContact C-N 3.25Å; P127-I129 PolarHBondContact O-N 3.03Å; P127-Q131 WeakPolarHBondContact O-CG 3.4Å; P127-Q131 PolarHBondContact O-N 3.33Å
128T65.8Low67.6Low62 Ų6269.3 Ų69.338%0.3838%0.376SS..Hα-helixtrans-65.3-31.1175-49.50000111.9K125 L126 R132K125-T128 WeakPolarHBondContact O-CB 3.5Å; K125-T128 PolarHBondContact O-N 2.97Å; L126-T128 VanDerWaalsContact C-N 3.26Å; L126-T128 PolarHBondContact O-N 3.35Å; T128-R132 VanDerWaalsContact O-CG 3.32Å; T128-R132 WeakPolarHBondContact O-CG 3.38Å; T128-R132 PolarHBondContact O-N 2.96Å
129I61.4Low66.2Low22 Ų2274.7 Ų74.711%0.11340%0.404CS..Hα-helixtrans-88-35.3-178.1-73.5169000111.7T94 A98 K125 L126 P127 Q131 R132 I133T94-I129 VanDerWaalsContact CB-CD1 3.41Å; T94-I129 HydrophobicContact CG2-CB 4.13Å; T94-I129 HydrophobicContact CG2-CD1 3.13Å; T94-I129 HydrophobicContact CG2-CG1 4.14Å; T94-I129 HydrophobicContact CG2-CG2 4.26Å; A98-I129 HydrophobicContact CB-CG2 4.33Å; K125-I129 PolarHBondContact O-N 3Å; L126-I129 PolarHBondContact O-N 3.44Å; P127-I129 VanDerWaalsContact C-N 3.25Å; P127-I129 PolarHBondContact O-N 3.03Å; I129-Q131 VanDerWaalsContact C-N 3.27Å; I129-Q131 PolarHBondContact O-N 3.05Å; I129-R132 PolarHBondContact O-N 3.46Å; I129-I133 HydrophobicContact CG2-CD1 3.95Å; I129-I133 HydrophobicContact CG2-CG1 4.29Å; I129-I133 WeakPolarHBondContact O-CG1 3.32Å; I129-I133 PolarHBondContact O-N 3.43Å
130S57.4Low64.7Low71 Ų7176.4 Ų76.450%0.49742%0.422SS..Hα-helixtrans-55.9-43.1169174.70000111.5L126 R132 I133 V134L126-S130 PolarHBondContact O-N 3.02Å; S130-R132 VanDerWaalsContact C-N 3.35Å; S130-R132 PolarHBondContact O-N 2.98Å; S130-I133 PolarHBondContact O-N 3.46Å; S130-V134 WeakPolarHBondContact O-CG2 3.4Å; S130-V134 PolarHBondContact O-N 3.16Å; S130-V134 VanDerWaalsContact O-N 3.09Å
131Q58.9Low63.2Low137 Ų13778.2 Ų78.264%0.6443%0.431SS*.Hα-helixtrans-63.6-37.4174.1-71.8178.2-6.600113P127 I129 S135P127-Q131 WeakPolarHBondContact O-CG 3.4Å; P127-Q131 PolarHBondContact O-N 3.33Å; I129-Q131 VanDerWaalsContact C-N 3.27Å; I129-Q131 PolarHBondContact O-N 3.05Å; Q131-S135 WeakPolarHBondContact O-CB 3.47Å; Q131-S135 PolarHBondContact O-N 3.35Å; Q131-S135 PolarHBondContact O-OG 2.89Å
132R57.6Low61.6Low164 Ų16481.5 Ų81.562%0.61945%0.45SS*.Hα-helixtrans-69.9-38.5177.4-74.5174.2-175.7173.63.6112.8T128 I129 S130 S135 A136T128-R132 VanDerWaalsContact O-CG 3.32Å; T128-R132 WeakPolarHBondContact O-CG 3.38Å; T128-R132 PolarHBondContact O-N 2.96Å; I129-R132 PolarHBondContact O-N 3.46Å; S130-R132 VanDerWaalsContact C-N 3.35Å; S130-R132 PolarHBondContact O-N 2.98Å; R132-S135 PolarHBondContact O-N 3.36Å; R132-A136 VanDerWaalsContact O-CB 3.29Å; R132-A136 WeakPolarHBondContact O-CB 3.49Å; R132-A136 PolarHBondContact O-N 3Å
133I56.8Low60.2Low64 Ų6488.7 Ų88.733%0.32849%0.488SS..Hα-helixtrans-65.5-46.6177-66.2169.1000109.8A98 I129 S130 S135 A136 Q137A98-I133 HydrophobicContact CB-CD1 4.08Å; I129-I133 HydrophobicContact CG2-CD1 3.95Å; I129-I133 HydrophobicContact CG2-CG1 4.29Å; I129-I133 WeakPolarHBondContact O-CG1 3.32Å; I129-I133 PolarHBondContact O-N 3.43Å; S130-I133 PolarHBondContact O-N 3.46Å; I133-S135 VanDerWaalsContact C-N 3.3Å; I133-S135 PolarHBondContact O-N 3.27Å; I133-A136 PolarHBondContact O-N 3.49Å; I133-Q137 HydrophobicContact CG2-CG 4.43Å; I133-Q137 WeakPolarHBondContact O-CB 3.4Å; I133-Q137 WeakPolarHBondContact O-CG 3.46Å; I133-Q137 PolarHBondContact O-N 2.94Å
134V56.3Low58.8Low89 Ų8991.4 Ų91.454%0.53951%0.507SS..Hα-helixtrans-59.6-42.4175.7173.90000111.1S130 Q137 S138S130-V134 WeakPolarHBondContact O-CG2 3.4Å; S130-V134 PolarHBondContact O-N 3.16Å; S130-V134 VanDerWaalsContact O-N 3.09Å; V134-Q137 PolarHBondContact O-N 3.48Å; V134-S138 PolarHBondContact O-N 3.5Å; V134-S138 PolarHBondContact O-OG 3.32Å
135S56.4Low56.9Low65 Ų6599.1 Ų99.146%0.45554%0.537SS..Hα-helixtrans-69.2-34.3178.4-55.30000113.3Q131 R132 I133 S138 L139Q131-S135 WeakPolarHBondContact O-CB 3.47Å; Q131-S135 PolarHBondContact O-N 3.35Å; Q131-S135 PolarHBondContact O-OG 2.89Å; R132-S135 PolarHBondContact O-N 3.36Å; I133-S135 VanDerWaalsContact C-N 3.3Å; I133-S135 PolarHBondContact O-N 3.27Å; S135-S138 WeakPolarHBondContact CA-OG 3.29Å; S135-S138 PolarHBondContact O-OG 3.28Å; S135-L139 WeakPolarHBondContact O-CD1 3.33Å; S135-L139 WeakPolarHBondContact O-CG 3.39Å; S135-L139 PolarHBondContact O-N 3.37Å
136A53.7Low56.1Low60 Ų60100.7 Ų100.750%0.49655%0.549SS..Hα-helixtrans-75.1-32.7177.700000112R132 I133 A140R132-A136 VanDerWaalsContact O-CB 3.29Å; R132-A136 WeakPolarHBondContact O-CB 3.49Å; R132-A136 PolarHBondContact O-N 3Å; I133-A136 PolarHBondContact O-N 3.49Å; A136-A140 PolarHBondContact O-N 3.34Å
137Q51.2Low55.3Low119 Ų119104.1 Ų104.156%0.55657%0.568SS**Hα-helixtrans-69.9-43.1173.5-74.2175.3-24.600111.3I133 V134 L139 A140 E141I133-Q137 HydrophobicContact CG2-CG 4.43Å; I133-Q137 WeakPolarHBondContact O-CB 3.4Å; I133-Q137 WeakPolarHBondContact O-CG 3.46Å; I133-Q137 PolarHBondContact O-N 2.94Å; V134-Q137 PolarHBondContact O-N 3.48Å; Q137-L139 VanDerWaalsContact C-N 3.3Å; Q137-L139 PolarHBondContact O-N 3.01Å; Q137-A140 PolarHBondContact O-N 3.26Å; Q137-A140 VanDerWaalsContact O-N 3.14Å; Q137-E141 PolarHBondContact O-N 3.29Å
138S51.2Low54.5Low58 Ų58105.9 Ų105.941%0.40657%0.574SS.*Hα-helixtrans-63.8-33.5176.761.80000113.1V134 S135 A140 E141V134-S138 PolarHBondContact O-N 3.5Å; V134-S138 PolarHBondContact O-OG 3.32Å; S135-S138 WeakPolarHBondContact CA-OG 3.29Å; S135-S138 PolarHBondContact O-OG 3.28Å; S138-A140 VanDerWaalsContact C-N 3.33Å; S138-E141 PolarHBondContact O-N 3.38Å
139L52.8Low53.8Low119 Ų119108.5 Ų108.562%0.62359%0.586SS**Hα-helixtrans-73.1-22.8176.3-78164.5000113.6S135 Q137S135-L139 WeakPolarHBondContact O-CD1 3.33Å; S135-L139 WeakPolarHBondContact O-CG 3.39Å; S135-L139 PolarHBondContact O-N 3.37Å; Q137-L139 VanDerWaalsContact C-N 3.3Å; Q137-L139 PolarHBondContact O-N 3.01Å
140A54Low53.4Low62 Ų62113.9 Ų113.951%0.51262%0.615SS.*Hα-helixtrans-82-18.2176.700000112.6A136 Q137 S138A136-A140 PolarHBondContact O-N 3.34Å; Q137-A140 PolarHBondContact O-N 3.26Å; Q137-A140 VanDerWaalsContact O-N 3.14Å; S138-A140 VanDerWaalsContact C-N 3.33Å
141E50.8Low53.1Low155 Ų155116.8 Ų116.872%0.72462%0.623SS**Hα-helixtrans-87.1-28.4178.4-68.6-178.2145.200112.5Q137 S138Q137-E141 PolarHBondContact O-N 3.29Å; S138-E141 PolarHBondContact O-N 3.38Å
142D50.3Low52.7Low131 Ų131115.4 Ų115.470%0.70162%0.622SS**THydrogen-bonded Turntrans-77.6-13.3178.6-89.3-36.7000114.8
143D52.4Low52.3Low150 Ų150111.6 Ų111.680%0.80262%0.622SS**THydrogen-bonded Turntrans-928.9178-101-41.7000112.9
144V53.1Low51.9Low125 Ų125115.6 Ų115.676%0.75865%0.647SS**  trans-115.83-175.3-173.70000113.8
145E41Very low51.5Low254 Ų254118 Ų118100%1.18766%0.656SS**  trans-111.40168.8-102.9-172.8158.400112.6

Retrieved 145 of 145 residues in 96.8 ms (Link to these results)