X6RFD4_HUMAN Loading...

Mitochondrial translation release factor 1

AlphaFold DB , UniProt , Accession X6RFD4, Species HUMAN (Homo sapiens, Human), Gene MTRF1, 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
1M33.7Very low32.8Very low236 Ų236106.2 Ų106.2100%1.16350%0.499SS*.  083.50-79.6174.2141.400107.6R3M1-R3 PolarHBondContact O-N 3.25Å
2N27Very low32.7Very low137 Ų137107.9 Ų107.973%0.73351%0.506SS*.  trans-84.8109.5-178.6-72.9-3.7000108.4H4N2-H4 PolarHBondContact O-N 3.3Å
3R30Very low33.1Very low215 Ų215106.6 Ų106.681%0.81151%0.513SS*.  trans-76.999.5163.4-63.8-178.2-176.1-172.41.8105.4M1 L5M1-R3 PolarHBondContact O-N 3.25Å; R3-L5 PolarHBondContact O-N 3.06Å
4H31.4Very low33.7Very low139 Ų139105.1 Ų105.164%0.64452%0.519SS*.  trans-75.7101168.8-69.2-69.6000106.4N2 C6N2-H4 PolarHBondContact O-N 3.3Å; H4-C6 PolarHBondContact O-N 3.28Å
5L26.3Very low33.7Very low106 Ų106109.1 Ų109.156%0.55554%0.542SS*.  trans-88.790.4179-161106.6000106.4R3 V7R3-L5 PolarHBondContact O-N 3.06Å; L5-V7 HydrophobicContact CD2-CG2 3.75Å; L5-V7 HydrophobicContact CG-CG2 4.38Å
6C34Very low33.5Very low35 Ų35112.8 Ų112.824%0.23656%0.564CS.*  trans-90.6108.8179.1-58.90000109.7H4 W8 L225 N226H4-C6 PolarHBondContact O-N 3.28Å; C6-W8 HydrophobicContact CB-CZ2 3.96Å; C6-W8 PolarHBondContact O-NE1 3.18Å; C6-L225 WeakPolarHBondContact CA-O 3.28Å; C6-L225 VanDerWaalsContact CB-O 3.26Å; C6-L225 WeakPolarHBondContact CB-O 3.35Å; C6-N226 PolarHBondContact SG-OD1 3.15Å
7V29.2Very low33.2Very low43 Ų43110.6 Ų110.626%0.26158%0.577SS.*  trans-94.9162.3179.2-179.30000107.7L5 I186 L225L5-V7 HydrophobicContact CD2-CG2 3.75Å; L5-V7 HydrophobicContact CG-CG2 4.38Å; V7-I186 HydrophobicContact CB-CG2 4.2Å; V7-I186 HydrophobicContact CG1-CB 4.24Å; V7-I186 HydrophobicContact CG1-CD1 3.64Å; V7-I186 HydrophobicContact CG1-CG1 3.67Å; V7-I186 HydrophobicContact CG1-CG2 3.51Å; V7-L225 VanDerWaalsContact C-CD1 3.44Å; V7-L225 HydrophobicContact CB-CB 4.04Å; V7-L225 HydrophobicContact CB-CD1 3.78Å; V7-L225 HydrophobicContact CB-CG 4.45Å; V7-L225 HydrophobicContact CG1-CD1 3.69Å; V7-L225 PolarHBondContact N-O 3.24Å; V7-L225 WeakPolarHBondContact O-CA 3.18Å; V7-L225 WeakPolarHBondContact O-CB 3.47Å; V7-L225 WeakPolarHBondContact O-CD1 3.28Å; V7-L225 WeakPolarHBondContact O-CG 3.49Å; V7-L225 PolarHBondContact O-N 3.12Å; V7-L225 VanDerWaalsContact O-N 3.1Å
8W47.7Very low32.9Very low12 Ų12117.3 Ų117.35%0.04560%0.595CS.*EExtended strand (participates in β ladder)trans-140.3151.4-176.4-51.576.3000112C6 V185 I186 L187 F208 F222 L224C6-W8 HydrophobicContact CB-CZ2 3.96Å; C6-W8 PolarHBondContact O-NE1 3.18Å; W8-V185 CarbonylContact C-O 3.52Å; W8-I186 WeakPolarHBondContact O-CA 3.33Å; W8-I186 WeakPolarHBondContact O-CB 3.46Å; W8-I186 WeakPolarHBondContact O-CG1 3.35Å; W8-L187 HydrophobicContact CG-CB 4.48Å; W8-L187 PolarHBondContact NE1-O 3.42Å; W8-F208 HydrophobicContact CH2-CD2 4.12Å; W8-F208 AromaticContact CH2-CE2 3.07Å; W8-F208 HydrophobicContact CH2-CE2 3.07Å; W8-F208 AromaticContact CH2-CZ 3.61Å; W8-F208 HydrophobicContact CH2-CZ 3.61Å; W8-F208 HydrophobicContact CZ2-CD2 4.11Å; W8-F208 AromaticContact CZ2-CE2 3.47Å; W8-F208 HydrophobicContact CZ2-CE2 3.47Å; W8-F208 VanDerWaalsContact CZ2-CE2 3.47Å; W8-F208 HydrophobicContact CZ2-CZ 4.38Å; W8-F208 AromaticContact CZ3-CE2 3.68Å; W8-F208 HydrophobicContact CZ3-CE2 3.68Å; W8-F208 HydrophobicContact CZ3-CZ 4.08Å; W8-F222 HydrophobicContact CD2-CZ 4.49Å; W8-F222 HydrophobicContact CE3-CD1 4.49Å; W8-F222 HydrophobicContact CE3-CD2 4.45Å; W8-F222 AromaticContact CE3-CE1 3.87Å; W8-F222 HydrophobicContact CE3-CE1 3.87Å; W8-F222 AromaticContact CE3-CE2 3.8Å; W8-F222 HydrophobicContact CE3-CE2 3.8Å; W8-F222 AromaticContact CE3-CZ 3.49Å; W8-F222 HydrophobicContact CE3-CZ 3.49Å; W8-F222 VanDerWaalsContact CE3-CZ 3.49Å; W8-F222 HydrophobicContact CH2-CE1 4.23Å; W8-F222 HydrophobicContact CH2-CZ 4.02Å; W8-F222 HydrophobicContact CZ3-CD1 4.19Å; W8-F222 AromaticContact CZ3-CE1 3.3Å; W8-F222 HydrophobicContact CZ3-CE1 3.3Å; W8-F222 HydrophobicContact CZ3-CE2 4.01Å; W8-F222 AromaticContact CZ3-CZ 3.2Å; W8-F222 HydrophobicContact CZ3-CZ 3.2Å; W8-L224 HydrophobicContact CH2-CB 3.81Å; W8-L224 HydrophobicContact CH2-CD1 3.64Å; W8-L224 HydrophobicContact CH2-CG 3.38Å; W8-L224 HydrophobicContact CZ2-CG 4.33Å; W8-L224 HydrophobicContact CZ3-CB 3.58Å; W8-L224 HydrophobicContact CZ3-CD1 4.15Å; W8-L224 HydrophobicContact CZ3-CG 3.75Å
9L29Very low33Very low66 Ų66119.8 Ų119.835%0.34661%0.609SS.*EExtended strand (participates in β ladder)trans-129.1117.2175.3-108.3147.5000108.9D184 L225L9-D184 HydrophobicContact CD2-CB 3.76Å; L9-D184 VanDerWaalsContact CD2-OD2 3.32Å; L9-D184 WeakPolarHBondContact CD2-OD2 3.39Å; L9-L225 HydrophobicContact CD1-CD1 4.32Å
10F36.2Very low32.6Very low31 Ų31122.3 Ų122.314%0.13662%0.618CS.*  trans-99.190.4176.4-80.3-73.8000112D184 V185 W220 Q221 F222F10-D184 WeakPolarHBondContact O-CA 3.29Å; F10-D184 WeakPolarHBondContact O-CB 3.5Å; F10-V185 HydrophobicContact CD2-CB 4.05Å; F10-V185 WeakPolarHBondContact CD2-O 3.39Å; F10-V185 PolarHBondContact N-O 3.16Å; F10-W220 HydrophobicContact CD1-CB 4.08Å; F10-W220 HydrophobicContact CD1-CE3 4.06Å; F10-W220 HydrophobicContact CE1-CE3 4.18Å; F10-Q221 WeakPolarHBondContact CD1-O 3.34Å; F10-F222 AromaticContact CE1-CD2 3.83Å; F10-F222 HydrophobicContact CE1-CD2 3.83Å; F10-F222 AromaticContact CZ-CD2 3.84Å; F10-F222 HydrophobicContact CZ-CD2 3.84Å; F10-F222 HydrophobicContact CZ-CE2 4.16Å
11R35.8Very low32.4Very low148 Ų148122.5 Ų122.556%0.55863%0.63SS**  trans-74.7126.5178.1-79.1-178.9-176-131.82.9113.1D184 Q221R11-D184 WeakPolarHBondContact CA-OD1 3.25Å; R11-D184 WeakPolarHBondContact CG-OD2 3.39Å; R11-Q221 HydrophobicContact CB-CB 4.36Å
12H32.1Very low31.9Very low127 Ų127119.2 Ų119.259%0.58861%0.611SS**  trans-72126.5168.7-169.5-76.4000110.8S14H12-S14 PolarHBondContact O-N 3Å
13P38.3Very low32Very low91 Ų91119.2 Ų119.259%0.59161%0.61SS**  trans-80.487.5177.231.5-30.7000109.7
14S40.4Very low31.7Very low85 Ų85117 Ų11759%0.59461%0.608SS**  trans-119.3100.716157.30000109.2H12H12-S14 PolarHBondContact O-N 3Å
15L33.8Very low31.5Very low165 Ų165118 Ų11886%0.86462%0.618SS**SBendtrans159.7118.8139.4-83.7157.5000110.2
16N31.3Very low31.3Very low168 Ų168120.5 Ų120.590%0.89863%0.626SS**  trans21.7125.2156.2-77.6-11.8000120.3
17G28.2Very low31.1Very low76 Ų76123.8 Ų123.878%0.78465%0.65SS**  trans155.4123150.800000114
18Y28.1Very low31Very low232 Ų232130 Ų13091%0.9168%0.675SS**  trans-43.8145.8176.6-83-105000116
19L34.1Very low30.2Very low164 Ų164138.5 Ų138.586%0.85972%0.716SS**  trans-29.2130.4165.9-72.4143.4000116.8
20Q25.6Very low30.1Very low170 Ų170145.2 Ų145.279%0.79474%0.743SS**  -176.498.9124.5-109.6173.9-35.800110.5H22Q20-H22 PolarHBondContact O-N 3.01Å
21C27.8Very low29.6Very low126 Ų126155 Ų15585%0.85178%0.779SS**  trans-83.793.5170.1-70.20000109.8I23C21-I23 PolarHBondContact O-N 3.4Å
22H23.5Very low29.3Very low167 Ų167156.2 Ų156.277%0.77379%0.791SS**  trans-76.5100.8157.4-91.6-77.3000108.4Q20 Q24Q20-H22 PolarHBondContact O-N 3.01Å; H22-Q24 PolarHBondContact O-N 3.27Å
23I30.1Very low29.3Very low138 Ų138157.9 Ų157.971%0.70880%0.802SS**  trans-81.4103.5171.3-62171.3000107.3C21 L25C21-I23 PolarHBondContact O-N 3.4Å; I23-L25 HydrophobicContact CG2-CD1 4.43Å; I23-L25 HydrophobicContact CG2-CG 3.97Å
24Q23.9Very low29.2Very low167 Ų167161.5 Ų161.578%0.7881%0.811SS**  trans-96.398.5168.8-155.2160.1-22.500108H22 H26H22-Q24 PolarHBondContact O-N 3.27Å; Q24-H26 PolarHBondContact O-N 3Å
25L25.3Very low28.8Very low161 Ų161164.8 Ų164.884%0.84382%0.821SS**  trans-73.9104.4176.5-81.6156.1000109.5I23I23-L25 HydrophobicContact CG2-CD1 4.43Å; I23-L25 HydrophobicContact CG2-CG 3.97Å
26H23.8Very low28.7Very low158 Ų158162.6 Ų162.673%0.73181%0.81SS**  trans-86.6110.8161.5-98.1-82.9000109.7Q24 H28Q24-H26 PolarHBondContact O-N 3Å; H26-H28 PolarHBondContact O-N 3.26Å
27S28.3Very low29Very low105 Ų105159.8 Ų159.873%0.73480%0.799SS**  trans-73.1115.1171.854.60000110.5
28H28.1Very low29.3Very low172 Ų172167.6 Ų167.680%0.79681%0.805SS**  trans-113116157.6-93.4-69.8000110.2H26 F30H26-H28 PolarHBondContact O-N 3.26Å; H28-F30 PolarHBondContact O-N 3.47Å
29Q29.8Very low29.8Very low192 Ų192162.3 Ų162.390%0.89779%0.792SS**PPolyproline II helixtrans-61119.9-179.7-69.6171.2-36.600111
30F27.4Very low29.7Very low206 Ų206161.1 Ų161.190%0.90478%0.782SS**PPolyproline II helixtrans-98.3124.8159.3-100.4-88000109.9H28H28-F30 PolarHBondContact O-N 3.47Å
31R25.7Very low30Very low237 Ų237159 Ų15989%0.89478%0.78SS**PPolyproline II helixtrans-59.7132.7-177.6-70.5-178.7-177.3-1720.6111.2I33R31-I33 PolarHBondContact O-N 3.04Å
32Q30.2Very low30.2Very low173 Ų173161 Ų16181%0.80878%0.775SS**PPolyproline II helixtrans-60124.4169.2-79.9166.1-71.400110.5
33I32.3Very low30.8Very low163 Ų163161.4 Ų161.484%0.83677%0.77SS**  trans-104.4126154.1-62.3176.1000106.8R31R31-I33 PolarHBondContact O-N 3.04Å
34H35.1Very low30.8Very low166 Ų166162.9 Ų162.977%0.76977%0.773SS**  trans-74.4116.9-171.9-146.9-84.7000109.5
35L32.7Very low31.3Very low155 Ų155158.9 Ų158.981%0.81276%0.758SS**  trans-136.4132.7160.2-79.6171.3000109.3
36D31.8Very low31.8Very low119 Ų119159.4 Ų159.464%0.63675%0.748SS**  trans-47.4130.1-160.8-77.4-54.1000118.5R38D36-R38 PolarHBondContact O-N 3.11Å
37T38.3Very low32.3Very low109 Ų109158.1 Ų158.167%0.66975%0.747SS**SBend3519.4123.324.20000122.8
38R33.9Very low32.6Very low240 Ų240156 Ų15691%0.90673%0.731SS**SBendtrans-116.90.9161.7-74.4-169.8173-170.4-0.7114.7D36D36-R38 PolarHBondContact O-N 3.11Å
39L38.6Very low33.1Very low121 Ų121152.3 Ų152.363%0.63472%0.717SS**SBendtrans-94.27.5175.4-73.8167.7000114.1V41 R43L39-V41 VanDerWaalsContact C-N 3.3Å; L39-V41 PolarHBondContact O-N 3.07Å; L39-R43 PolarHBondContact O-N 2.97Å
40Q31.5Very low33.3Very low138 Ų138148.8 Ų148.865%0.64570%0.703SS**Hα-helixtrans-77.1-16-176.7-144.7166.1-2.400113.3
41V32.2Very low33.5Very low125 Ų125144.7 Ų144.776%0.75869%0.686SS**Hα-helixtrans-80.8-23.1176.6-1770000112.5L39L39-V41 VanDerWaalsContact C-N 3.3Å; L39-V41 PolarHBondContact O-N 3.07Å
42F32.1Very low33.9Very low168 Ų168138.8 Ų138.874%0.73767%0.672SS**Hα-helixtrans-100.6-12.7179.1-100.2-86.7000114.8
43R35.3Very low34.3Very low176 Ų176135.2 Ų135.266%0.66466%0.658SS**Hα-helixtrans-77.8-22.2178.4-88.3-170.3173-175.9-0.3114.5L39 N45L39-R43 PolarHBondContact O-N 2.97Å; R43-N45 VanDerWaalsContact C-N 3.27Å; R43-N45 PolarHBondContact O-N 3Å
44Q30.2Very low34.4Very low169 Ų169131.3 Ų131.379%0.7965%0.645SS**THydrogen-bonded Turntrans-76.9-10.9177.9-82.1176.4-16.500113.9
45N34.1Very low34.5Very low84 Ų84130.1 Ų130.145%0.44964%0.638SS.*THydrogen-bonded Turntrans-101.77.3-176.7-117-6000115.1R43 C48 I49R43-N45 VanDerWaalsContact C-N 3.27Å; R43-N45 PolarHBondContact O-N 3Å; N45-C48 PolarHBondContact O-N 3.33Å; N45-C48 WeakPolarHBondContact OD1-CB 3.46Å; N45-C48 PolarHBondContact OD1-SG 3.09Å; N45-I49 WeakPolarHBondContact O-CD1 3.49Å; N45-I49 VanDerWaalsContact O-CG1 3.26Å; N45-I49 WeakPolarHBondContact O-CG1 3.43Å; N45-I49 PolarHBondContact O-N 3.25Å; N45-I49 VanDerWaalsContact O-N 3.1Å
46R37.2Very low34.7Very low172 Ų172129.6 Ų129.665%0.64964%0.636SS**Hα-helixtrans-69.2-34.5177.4-79.4-172.4169.8-169-5.8113.1L50R46-L50 PolarHBondContact O-N 3.26Å
47N33.9Very low34.7Very low131 Ų131132.2 Ų132.270%0.70164%0.637SS**Hα-helixtrans-77.1-30.6175.8-70.2-10.1000112H51N47-H51 VanDerWaalsContact O-CB 3.27Å; N47-H51 WeakPolarHBondContact O-CB 3.23Å; N47-H51 PolarHBondContact O-N 3.47Å
48C34.6Very low34.4Very low60 Ų60131 Ų13141%0.40563%0.633SS.*Hα-helixtrans-68.3-38.3174.3-66.10000112.1N45 H51 L52N45-C48 PolarHBondContact O-N 3.33Å; N45-C48 WeakPolarHBondContact OD1-CB 3.46Å; N45-C48 PolarHBondContact OD1-SG 3.09Å; C48-H51 PolarHBondContact O-N 2.98Å; C48-L52 VanDerWaalsContact O-CB 3.24Å; C48-L52 WeakPolarHBondContact O-CB 3.28Å; C48-L52 WeakPolarHBondContact O-CD1 3.21Å; C48-L52 VanDerWaalsContact O-CG 3.3Å; C48-L52 WeakPolarHBondContact O-CG 3.28Å; C48-L52 PolarHBondContact O-N 3.47Å
49I37.8Very low34.6Very low95 Ų95131.7 Ų131.749%0.48764%0.635SS.*Hα-helixtrans-69.1-42.5178.7-65165000110.7N45 H51 L52 L53N45-I49 WeakPolarHBondContact O-CD1 3.49Å; N45-I49 VanDerWaalsContact O-CG1 3.26Å; N45-I49 WeakPolarHBondContact O-CG1 3.43Å; N45-I49 PolarHBondContact O-N 3.25Å; N45-I49 VanDerWaalsContact O-N 3.1Å; I49-H51 PolarHBondContact O-N 3.14Å; I49-L52 PolarHBondContact O-N 3.45Å; I49-L53 HydrophobicContact CG2-CD1 3.94Å; I49-L53 WeakPolarHBondContact O-CB 3.46Å; I49-L53 WeakPolarHBondContact O-CD1 3.33Å; I49-L53 WeakPolarHBondContact O-CG 3.36Å; I49-L53 PolarHBondContact O-N 2.88Å
50L35.1Very low34.5Very low118 Ų118134.4 Ų134.462%0.61864%0.637SS**Hα-helixtrans-68.6-34.6176.9-74.5165.2000112.7R46 L53 S54R46-L50 PolarHBondContact O-N 3.26Å; L50-L53 PolarHBondContact O-N 3.42Å; L50-S54 PolarHBondContact O-N 3.17Å
51H31.5Very low35.2Very low119 Ų119137.8 Ų137.855%0.55165%0.646SS**Hα-helixtrans-75.3-31.8177.4-146.1-82.6000112.5N47 C48 I49 L53 S54N47-H51 VanDerWaalsContact O-CB 3.27Å; N47-H51 WeakPolarHBondContact O-CB 3.23Å; N47-H51 PolarHBondContact O-N 3.47Å; C48-H51 PolarHBondContact O-N 2.98Å; I49-H51 PolarHBondContact O-N 3.14Å; H51-L53 VanDerWaalsContact C-N 3.34Å; H51-S54 PolarHBondContact O-N 3.35Å; H51-S54 PolarHBondContact O-OG 3.05Å
52L33.6Very low35.6Very low113 Ų113135.4 Ų135.459%0.59263%0.634SS**Hα-helixtrans-71.4-24.5171.7-81.6161.9000113.5C48 I49C48-L52 VanDerWaalsContact O-CB 3.24Å; C48-L52 WeakPolarHBondContact O-CB 3.28Å; C48-L52 WeakPolarHBondContact O-CD1 3.21Å; C48-L52 VanDerWaalsContact O-CG 3.3Å; C48-L52 WeakPolarHBondContact O-CG 3.28Å; C48-L52 PolarHBondContact O-N 3.47Å; I49-L52 PolarHBondContact O-N 3.45Å
53L38.4Very low36.2Very low99 Ų99136 Ų13652%0.51864%0.638SS.*Hα-helixtrans-81.9-21.6174.9-71.7167.4000112.8I49 L50 H51I49-L53 HydrophobicContact CG2-CD1 3.94Å; I49-L53 WeakPolarHBondContact O-CB 3.46Å; I49-L53 WeakPolarHBondContact O-CD1 3.33Å; I49-L53 WeakPolarHBondContact O-CG 3.36Å; I49-L53 PolarHBondContact O-N 2.88Å; L50-L53 PolarHBondContact O-N 3.42Å; H51-L53 VanDerWaalsContact C-N 3.34Å
54S35Very low37.1Very low80 Ų80134.9 Ų134.956%0.55964%0.641SS**Hα-helixtrans-89.6-16.4-17773.90000115L50 H51L50-S54 PolarHBondContact O-N 3.17Å; H51-S54 PolarHBondContact O-N 3.35Å; H51-S54 PolarHBondContact O-OG 3.05Å
55K36.7Very low39Very low142 Ų142131 Ų13162%0.61763%0.625SS**SBendtrans-130.4106.2-176.9-73.7-178177.3179.70110.2
56N37Very low41Very low144 Ų144127.6 Ų127.677%0.7761%0.608SS**  trans64.150.7164.4-60.6-12000116.2S58N56-S58 PolarHBondContact O-N 3.06Å
57W30.9Very low43Very low174 Ų174122.3 Ų122.366%0.65959%0.589SS**  trans-77.279.4139.7-83.834.3000107.2R59W57-R59 PolarHBondContact O-N 2.94Å
58S33.5Very low45.4Very low84 Ų84122.7 Ų122.759%0.58759%0.589SS**  trans-39.7114.8155.7-53.70000106.5N56 R60N56-S58 PolarHBondContact O-N 3.06Å; S58-R60 WeakPolarHBondContact O-CA 3.48Å; S58-R60 WeakPolarHBondContact O-CB 3.42Å; S58-R60 WeakPolarHBondContact O-CG 3.44Å; S58-R60 PolarHBondContact O-N 2.99Å
59R37.7Very low47.7Very low253 Ų253124.3 Ų124.396%0.95559%0.593SS**  trans-1371.2159.1-137.2-179.2-143.4-163.84112.6W57 Y61W57-R59 PolarHBondContact O-N 2.94Å; R59-Y61 PolarHBondContact O-N 2.95Å; R59-Y61 VanDerWaalsContact O-N 3.12Å
60R36.8Very low50Low179 Ų179120 Ų12068%0.67557%0.571SS**  trans-88.994.8-172.6-97.2-169.7-73.6-158.90.8106.8S58S58-R60 WeakPolarHBondContact O-CA 3.48Å; S58-R60 WeakPolarHBondContact O-CB 3.42Å; S58-R60 WeakPolarHBondContact O-CG 3.44Å; S58-R60 PolarHBondContact O-N 2.99Å
61Y46.1Very low52.4Low209 Ų209121.2 Ų121.282%0.8257%0.571SS**  trans45.589.8155.9-72.7-90.6000116.3R59R59-Y61 PolarHBondContact O-N 2.95Å; R59-Y61 VanDerWaalsContact O-N 3.12Å
62C40.9Very low55.2Low74 Ų74121.1 Ų121.150%0.557%0.57SS.*  trans-77.9121.9151.8-157.10000107.3Q64C62-Q64 PolarHBondContact O-N 2.8Å
63H44.9Very low58Low180 Ų180123.8 Ų123.883%0.83358%0.577SS**SBendtrans-52.4106.1171.5-84.1-77.6000110.6
64Q53.6Low60.4Low153 Ų153122 Ų12272%0.71558%0.577SS**  trans-160.937.9161.8-115.3154.7-14.500110.5C62 T66C62-Q64 PolarHBondContact O-N 2.8Å; Q64-T66 PolarHBondContact O-N 2.95Å; Q64-T66 VanDerWaalsContact O-N 3.1Å
65D69.1Low63Low88 Ų88119.6 Ų119.647%0.47156%0.557SS.*  trans-82.480.4161.7-160.5-9.8000107.2K67 M68 L69D65-K67 PolarHBondContact O-N 3.25Å; D65-K67 VanDerWaalsContact OD1-CB 3.25Å; D65-K67 WeakPolarHBondContact OD1-CB 3.38Å; D65-K67 PolarHBondContact OD1-N 3.29Å; D65-M68 HydrophobicContact CB-CB 4.13Å; D65-M68 HydrophobicContact CB-CG 4.13Å; D65-M68 WeakPolarHBondContact O-CA 3.26Å; D65-M68 WeakPolarHBondContact O-CB 3.47Å; D65-M68 PolarHBondContact O-N 3.03Å; D65-L69 PolarHBondContact O-N 3.44Å
66T75.9Confident65.6Low13 Ų13116 Ų1168%0.0854%0.543CS..Hα-helixtrans-58.5-25.5178.345.50000111.3Q64 L69 W70 N168 F171Q64-T66 PolarHBondContact O-N 2.95Å; Q64-T66 VanDerWaalsContact O-N 3.1Å; T66-L69 PolarHBondContact O-N 3.08Å; T66-W70 WeakPolarHBondContact O-CB 2.92Å; T66-W70 PolarHBondContact O-N 3.07Å; T66-N168 WeakPolarHBondContact CB-OD1 3.38Å; T66-N168 WeakPolarHBondContact CG2-OD1 3.27Å; T66-N168 PolarHBondContact OG1-OD1 3.14Å; T66-F171 HydrophobicContact CG2-CD2 3.58Å; T66-F171 HydrophobicContact CG2-CE2 4.01Å; T66-F171 HydrophobicContact CG2-CG 4.46Å; T66-F171 WeakPolarHBondContact O-CE2 3.48Å
67K80.3Confident68.3Low60 Ų60115.4 Ų115.426%0.26153%0.533SS..Hα-helixtrans-62.6-38.9169-165.8168-171.5161.90112.5D65 K71 D160 Y167D65-K67 PolarHBondContact O-N 3.25Å; D65-K67 VanDerWaalsContact OD1-CB 3.25Å; D65-K67 WeakPolarHBondContact OD1-CB 3.38Å; D65-K67 PolarHBondContact OD1-N 3.29Å; K67-K71 VanDerWaalsContact O-CG 3.3Å; K67-K71 WeakPolarHBondContact O-CG 3.24Å; K67-K71 PolarHBondContact O-N 2.99Å; K67-D160 IonicContact NZ-OD1 3.49Å; K67-D160 PolarHBondContact NZ-OD1 3.49Å; K67-Y167 HydrophobicContact CB-CD2 4.28Å; K67-Y167 HydrophobicContact CB-CE2 4.22Å; K67-Y167 HydrophobicContact CG-CE2 4.04Å
68M83.3Confident71.2Confident140 Ų140112.8 Ų112.869%0.6952%0.524SS*.Hα-helixtrans-69.6-40.5174.4-80.3-148.8164.100112.7D65 W70 K71D65-M68 HydrophobicContact CB-CB 4.13Å; D65-M68 HydrophobicContact CB-CG 4.13Å; D65-M68 WeakPolarHBondContact O-CA 3.26Å; D65-M68 WeakPolarHBondContact O-CB 3.47Å; D65-M68 PolarHBondContact O-N 3.03Å; M68-W70 VanDerWaalsContact C-N 3.33Å; M68-K71 PolarHBondContact O-N 3.12Å
69L83.1Confident74Confident93 Ų93108.9 Ų108.949%0.48750%0.497SS..Hα-helixtrans-64.5-40.6176.9-68.7171.9000111.2D65 T66 K71 H72 L75 F171D65-L69 PolarHBondContact O-N 3.44Å; T66-L69 PolarHBondContact O-N 3.08Å; L69-K71 VanDerWaalsContact C-N 3.35Å; L69-K71 PolarHBondContact O-N 2.79Å; L69-H72 WeakPolarHBondContact O-CB 3.43Å; L69-H72 PolarHBondContact O-N 3.33Å; L69-H72 VanDerWaalsContact O-N 3.15Å; L69-L75 WeakPolarHBondContact O-CD2 3.4Å; L69-F171 HydrophobicContact CB-CE1 3.95Å; L69-F171 HydrophobicContact CB-CE2 4Å; L69-F171 HydrophobicContact CB-CZ 3.37Å; L69-F171 HydrophobicContact CD1-CE1 4.42Å; L69-F171 HydrophobicContact CD1-CZ 4.36Å
70W85.9Confident76.6Confident6 Ų6100.9 Ų100.92%0.02347%0.47CS..Hα-helixtrans-57.5-45.5175.2177.4-112.1000112.8T66 M68 H72 L75 Q76 M79 Y120 I123 E127 Y167 L170T66-W70 WeakPolarHBondContact O-CB 2.92Å; T66-W70 PolarHBondContact O-N 3.07Å; M68-W70 VanDerWaalsContact C-N 3.33Å; W70-H72 PolarHBondContact O-N 3.49Å; W70-L75 HydrophobicContact CE3-CD2 4.09Å; W70-Q76 WeakPolarHBondContact O-CG 3.3Å; W70-M79 HydrophobicContact CH2-CG 4.42Å; W70-M79 HydrophobicContact CZ3-CG 4.01Å; W70-Y120 AromaticContact CH2-CD2 3.7Å; W70-Y120 HydrophobicContact CH2-CD2 3.7Å; W70-Y120 AromaticContact CH2-CE2 3.58Å; W70-Y120 HydrophobicContact CH2-CE2 3.58Å; W70-Y120 HydrophobicContact CZ2-CE2 4.28Å; W70-Y120 HydrophobicContact CZ3-CD2 4.48Å; W70-I123 HydrophobicContact CH2-CD1 4.44Å; W70-I123 HydrophobicContact CH2-CG2 4.09Å; W70-I123 HydrophobicContact CZ2-CG2 3.55Å; W70-E127 PolarHBondContact NE1-OE1 3.36Å; W70-Y167 HydrophobicContact CB-CD1 3.98Å; W70-Y167 HydrophobicContact CB-CD2 4.43Å; W70-Y167 HydrophobicContact CB-CE1 3.88Å; W70-Y167 HydrophobicContact CB-CE2 4.32Å; W70-Y167 HydrophobicContact CB-CG 4.27Å; W70-Y167 AromaticContact CD1-CE1 3.25Å; W70-Y167 AromaticContact CD1-CZ 3.21Å; W70-Y167 AromaticContact CD2-CD1 3.92Å; W70-Y167 HydrophobicContact CD2-CD1 3.92Å; W70-Y167 AromaticContact CD2-CE1 3.51Å; W70-Y167 HydrophobicContact CD2-CE1 3.51Å; W70-Y167 AromaticContact CE2-CE1 3.61Å; W70-Y167 HydrophobicContact CE3-CD1 4.33Å; W70-Y167 HydrophobicContact CE3-CE1 4.31Å; W70-Y167 AromaticContact CG-CD1 3.75Å; W70-Y167 HydrophobicContact CG-CD1 3.75Å; W70-Y167 AromaticContact CG-CE1 3.26Å; W70-Y167 HydrophobicContact CG-CE1 3.26Å; W70-Y167 HydrophobicContact CG-CE2 4.33Å; W70-Y167 HydrophobicContact CG-CG 4.48Å; W70-Y167 AromaticContact CG-CZ 3.58Å; W70-Y167 HydrophobicContact CZ2-CE1 4.42Å; W70-Y167 AromaticContact NE1-CE1 3.43Å; W70-Y167 AromaticContact NE1-CZ 3.66Å; W70-Y167 PolarHBondContact NE1-OH 3.02Å; W70-L170 HydrophobicContact CE3-CD2 3.83Å; W70-L170 HydrophobicContact CH2-CD2 4.24Å; W70-L170 HydrophobicContact CZ3-CD2 3.34Å
71K86.5Confident79.3Confident143 Ų14396.2 Ų96.262%0.62246%0.458SS*.THydrogen-bonded Turntrans-63.3-9.2178.8-73.1177.3178.9-169.90114.1K67 M68 L69 K73K67-K71 VanDerWaalsContact O-CG 3.3Å; K67-K71 WeakPolarHBondContact O-CG 3.24Å; K67-K71 PolarHBondContact O-N 2.99Å; M68-K71 PolarHBondContact O-N 3.12Å; L69-K71 VanDerWaalsContact C-N 3.35Å; L69-K71 PolarHBondContact O-N 2.79Å; K71-K73 PolarHBondContact O-N 3.35Å
72H90.9Very high81.5Confident117 Ų11786.9 Ų86.954%0.54242%0.423SS..  trans-71.9119.7179.1-166.7-88000111.2L69 W70 A74 L75 Q76L69-H72 WeakPolarHBondContact O-CB 3.43Å; L69-H72 PolarHBondContact O-N 3.33Å; L69-H72 VanDerWaalsContact O-N 3.15Å; W70-H72 PolarHBondContact O-N 3.49Å; H72-A74 WeakPolarHBondContact ND1-CB 3.19Å; H72-A74 PolarHBondContact ND1-N 3.42Å; H72-A74 PolarHBondContact O-N 3.38Å; H72-L75 WeakPolarHBondContact O-CB 3.34Å; H72-L75 PolarHBondContact O-N 3.28Å; H72-Q76 PolarHBondContact O-N 2.84Å
73K90.7Very high83.9Confident169 Ų16984.5 Ų84.574%0.73541%0.407SS*.Hα-helixtrans-51.1-36.7-176.2-174.2176.2-177.21750114.5K71 L75 K77K71-K73 PolarHBondContact O-N 3.35Å; K73-L75 VanDerWaalsContact C-N 3.33Å; K73-L75 PolarHBondContact O-N 3.38Å; K73-K77 WeakPolarHBondContact O-CB 3.49Å; K73-K77 PolarHBondContact O-N 2.82Å
74A90.4Very high86.3Confident62 Ų6281.6 Ų81.651%0.51239%0.392SS..Hα-helixtrans-66.3-35.8-18000000112.5H72 Y78H72-A74 WeakPolarHBondContact ND1-CB 3.19Å; H72-A74 PolarHBondContact ND1-N 3.42Å; H72-A74 PolarHBondContact O-N 3.38Å; A74-Y78 WeakPolarHBondContact O-CB 3.4Å; A74-Y78 PolarHBondContact O-N 3.49Å
75L89.7Confident88.2Confident29 Ų2977.1 Ų77.115%0.15237%0.371CS..Hα-helixtrans-72-45.4179.2-17867.8000110.7L69 W70 H72 K73 K77 Y78 M79 F171 L174L69-L75 WeakPolarHBondContact O-CD2 3.4Å; W70-L75 HydrophobicContact CE3-CD2 4.09Å; H72-L75 WeakPolarHBondContact O-CB 3.34Å; H72-L75 PolarHBondContact O-N 3.28Å; K73-L75 VanDerWaalsContact C-N 3.33Å; K73-L75 PolarHBondContact O-N 3.38Å; L75-K77 VanDerWaalsContact C-N 3.33Å; L75-K77 PolarHBondContact O-N 3.31Å; L75-Y78 WeakPolarHBondContact O-CB 3.4Å; L75-Y78 PolarHBondContact O-N 2.82Å; L75-Y78 VanDerWaalsContact O-N 3.11Å; L75-M79 HydrophobicContact CD1-CE 4.08Å; L75-M79 WeakPolarHBondContact O-CG 3.07Å; L75-M79 PolarHBondContact O-N 2.88Å; L75-F171 HydrophobicContact CD2-CE1 3.51Å; L75-F171 HydrophobicContact CD2-CZ 3.42Å; L75-F171 VanDerWaalsContact CD2-CZ 3.42Å; L75-L174 HydrophobicContact CD1-CD1 4.02Å
76Q90.1Very high89.3Confident67 Ų6775.4 Ų75.431%0.31336%0.358SS..Hα-helixtrans-56.2-48.2174.7-67.8179.7-28.700111.2W70 H72 Y78 M79 E80W70-Q76 WeakPolarHBondContact O-CG 3.3Å; H72-Q76 PolarHBondContact O-N 2.84Å; Q76-Y78 VanDerWaalsContact C-N 3.3Å; Q76-Y78 PolarHBondContact O-N 3.35Å; Q76-M79 PolarHBondContact O-N 2.93Å; Q76-M79 VanDerWaalsContact O-N 3.16Å; Q76-E80 WeakPolarHBondContact O-CG 3.34Å; Q76-E80 PolarHBondContact O-N 2.99Å
77K93.5Very high90.1Very high130 Ų13079.5 Ų79.557%0.56538%0.376SS*.Hα-helixtrans-60.6-38.4176.5-172.3177.6-179-177.70112.7K73 L75 N81K73-K77 WeakPolarHBondContact O-CB 3.49Å; K73-K77 PolarHBondContact O-N 2.82Å; L75-K77 VanDerWaalsContact C-N 3.33Å; L75-K77 PolarHBondContact O-N 3.31Å; K77-N81 PolarHBondContact O-N 3.19Å; K77-N81 VanDerWaalsContact O-N 3.11Å; K77-N81 PolarHBondContact O-ND2 2.96Å
78Y92.1Very high90.6Very high120 Ų12080 Ų8047%0.47138%0.384SS..Hα-helixtrans-64.3-44.3176.2177.2-106.1000111.4A74 L75 Q76 N81 L82 L174A74-Y78 WeakPolarHBondContact O-CB 3.4Å; A74-Y78 PolarHBondContact O-N 3.49Å; L75-Y78 WeakPolarHBondContact O-CB 3.4Å; L75-Y78 PolarHBondContact O-N 2.82Å; L75-Y78 VanDerWaalsContact O-N 3.11Å; Q76-Y78 VanDerWaalsContact C-N 3.3Å; Q76-Y78 PolarHBondContact O-N 3.35Å; Y78-N81 WeakPolarHBondContact O-CB 3.18Å; Y78-N81 PolarHBondContact O-N 2.87Å; Y78-L82 HydrophobicContact CD1-CD1 3.99Å; Y78-L82 HydrophobicContact CE1-CD1 3.37Å; Y78-L82 HydrophobicContact CE1-CG 4.15Å; Y78-L82 HydrophobicContact CE2-CD1 4.4Å; Y78-L82 HydrophobicContact CE2-CG 4.4Å; Y78-L82 PolarHBondContact O-N 3.37Å; Y78-L174 HydrophobicContact CD1-CD2 4.48Å; Y78-L174 HydrophobicContact CE1-CD2 3.81Å
79M92.3Very high90.8Very high2 Ų274 Ų741%0.0136%0.356CS..Hα-helixtrans-64.5-42.8176.8-68.5-65.7171.700112.9W70 L75 Q76 N81 L82 S83 L116 Y120 L170 L174W70-M79 HydrophobicContact CH2-CG 4.42Å; W70-M79 HydrophobicContact CZ3-CG 4.01Å; L75-M79 HydrophobicContact CD1-CE 4.08Å; L75-M79 WeakPolarHBondContact O-CG 3.07Å; L75-M79 PolarHBondContact O-N 2.88Å; Q76-M79 PolarHBondContact O-N 2.93Å; Q76-M79 VanDerWaalsContact O-N 3.16Å; M79-N81 VanDerWaalsContact C-N 3.26Å; M79-N81 PolarHBondContact O-N 3.07Å; M79-L82 PolarHBondContact O-N 3.41Å; M79-S83 WeakPolarHBondContact O-CB 3.32Å; M79-S83 PolarHBondContact O-N 3.12Å; M79-L116 HydrophobicContact SD-CD2 3.98Å; M79-Y120 HydrophobicContact CB-CD2 3.62Å; M79-Y120 HydrophobicContact CB-CE2 3.39Å; M79-Y120 HydrophobicContact CB-CG 4.49Å; M79-Y120 HydrophobicContact CG-CD2 4.1Å; M79-Y120 HydrophobicContact CG-CE2 4.21Å; M79-Y120 HydrophobicContact SD-CD2 4.41Å; M79-L170 HydrophobicContact CE-CD1 3.82Å; M79-L170 HydrophobicContact CE-CD2 3.6Å; M79-L170 HydrophobicContact CE-CG 3.74Å; M79-L170 HydrophobicContact SD-CD1 4.1Å; M79-L170 HydrophobicContact SD-CD2 4.28Å; M79-L174 HydrophobicContact CE-CD1 3.41Å; M79-L174 VanDerWaalsContact CE-CD1 3.41Å; M79-L174 HydrophobicContact CE-CD2 3.49Å; M79-L174 VanDerWaalsContact CE-CD2 3.49Å; M79-L174 HydrophobicContact CE-CG 3.65Å
80E92.7Very high91.1Very high85 Ų8573.3 Ų73.340%0.39735%0.35SS..Hα-helixtrans-57.6-40.5173.5-73.9172.6-163.800111.9Q76 S83 K84Q76-E80 WeakPolarHBondContact O-CG 3.34Å; Q76-E80 PolarHBondContact O-N 2.99Å; E80-S83 PolarHBondContact O-N 2.67Å; E80-K84 WeakPolarHBondContact O-CB 3.37Å; E80-K84 VanDerWaalsContact O-CG 3.29Å; E80-K84 WeakPolarHBondContact O-CG 3.08Å; E80-K84 PolarHBondContact O-N 3.39Å
81N94.3Very high91.2Very high80 Ų8078.5 Ų78.543%0.42837%0.374SS..Hα-helixtrans-66.7-42.1177.2-69.5-19.3000111.7K77 Y78 M79 K84 E85K77-N81 PolarHBondContact O-N 3.19Å; K77-N81 VanDerWaalsContact O-N 3.11Å; K77-N81 PolarHBondContact O-ND2 2.96Å; Y78-N81 WeakPolarHBondContact O-CB 3.18Å; Y78-N81 PolarHBondContact O-N 2.87Å; M79-N81 VanDerWaalsContact C-N 3.26Å; M79-N81 PolarHBondContact O-N 3.07Å; N81-K84 PolarHBondContact O-N 3.47Å; N81-E85 WeakPolarHBondContact O-CB 3.02Å; N81-E85 PolarHBondContact O-N 2.91Å
82L91.6Very high91.2Very high13 Ų1373.7 Ų73.77%0.06836%0.358CS..Hα-helixtrans-65.5-39.5176.4-71.1-177.7000112Y78 M79 E85 Y86 L113 L116Y78-L82 HydrophobicContact CD1-CD1 3.99Å; Y78-L82 HydrophobicContact CE1-CD1 3.37Å; Y78-L82 HydrophobicContact CE1-CG 4.15Å; Y78-L82 HydrophobicContact CE2-CD1 4.4Å; Y78-L82 HydrophobicContact CE2-CG 4.4Å; Y78-L82 PolarHBondContact O-N 3.37Å; M79-L82 PolarHBondContact O-N 3.41Å; L82-E85 WeakPolarHBondContact O-CB 3.44Å; L82-E85 PolarHBondContact O-N 2.79Å; L82-Y86 WeakPolarHBondContact O-CB 2.98Å; L82-Y86 PolarHBondContact O-N 3.41Å; L82-L113 HydrophobicContact CD2-CD2 4.08Å; L82-L116 HydrophobicContact CB-CD2 4.19Å; L82-L116 HydrophobicContact CD1-CD2 3.55Å
83S92.3Very high90.9Very high25 Ų2570.7 Ų70.718%0.17535%0.346CS..Hα-helixtrans-62.5-44.2174.5176.80000111.5M79 E80 Y86 Q87M79-S83 WeakPolarHBondContact O-CB 3.32Å; M79-S83 PolarHBondContact O-N 3.12Å; E80-S83 PolarHBondContact O-N 2.67Å; S83-Y86 WeakPolarHBondContact O-CB 3.39Å; S83-Y86 PolarHBondContact O-N 2.67Å; S83-Q87 WeakPolarHBondContact O-CG 3.39Å; S83-Q87 PolarHBondContact O-N 3.03Å
84K93.7Very high90.5Very high119 Ų11968.8 Ų68.852%0.51734%0.339SS..Hα-helixtrans-62.1-43.8173.7-74.2169.4-1761670111.9E80 N81 Y86 Q87 T88E80-K84 WeakPolarHBondContact O-CB 3.37Å; E80-K84 VanDerWaalsContact O-CG 3.29Å; E80-K84 WeakPolarHBondContact O-CG 3.08Å; E80-K84 PolarHBondContact O-N 3.39Å; N81-K84 PolarHBondContact O-N 3.47Å; K84-Y86 VanDerWaalsContact C-N 3.33Å; K84-Y86 PolarHBondContact O-N 3.47Å; K84-Q87 PolarHBondContact O-N 3.25Å; K84-T88 VanDerWaalsContact O-CG2 3.3Å; K84-T88 WeakPolarHBondContact O-CG2 3.25Å; K84-T88 PolarHBondContact O-N 3.29Å; K84-T88 PolarHBondContact O-OG1 3.28Å
85E93.1Very high89.6Confident59 Ų5972.9 Ų72.928%0.27635%0.348SS..Hα-helixtrans-56.2-50.3175-171.4-172.7160.800110.1N81 L82 Q87 T88 L89 R109 L113N81-E85 WeakPolarHBondContact O-CB 3.02Å; N81-E85 PolarHBondContact O-N 2.91Å; L82-E85 WeakPolarHBondContact O-CB 3.44Å; L82-E85 PolarHBondContact O-N 2.79Å; E85-Q87 PolarHBondContact O-N 3.5Å; E85-T88 WeakPolarHBondContact CA-OG1 3.32Å; E85-T88 PolarHBondContact O-N 3.44Å; E85-T88 PolarHBondContact O-OG1 3.24Å; E85-L89 HydrophobicContact CG-CD1 4.25Å; E85-L89 VanDerWaalsContact O-CG 3.29Å; E85-L89 WeakPolarHBondContact O-CG 3.39Å; E85-L89 PolarHBondContact O-N 3.48Å; E85-R109 IonicContact OE1-CZ 3.93Å; E85-R109 IonicContact OE1-NE 3.88Å; E85-R109 PolarHBondContact OE1-NE 3.3Å; E85-R109 IonicContact OE1-NH2 3.05Å; E85-R109 PolarHBondContact OE1-NH2 2.93Å; E85-R109 VanDerWaalsContact OE1-NH2 3.08Å; E85-R109 IonicContact OE2-NH2 3.92Å; E85-R109 PolarHBondContact OE2-NH2 3.45Å; E85-R109 VanDerWaalsContact OE2-NH2 3.08Å; E85-L113 HydrophobicContact CB-CD1 4.35Å; E85-L113 HydrophobicContact CG-CD1 4.02Å
86Y93.4Very high88.5Confident51 Ų5176 Ų7620%0.236%0.364CS..Hα-helixtrans-55-49177.7-179.7-97.6000112.6L82 S83 K84 T88 L89 E90 H110 L113 A114 A117L82-Y86 WeakPolarHBondContact O-CB 2.98Å; L82-Y86 PolarHBondContact O-N 3.41Å; S83-Y86 WeakPolarHBondContact O-CB 3.39Å; S83-Y86 PolarHBondContact O-N 2.67Å; K84-Y86 VanDerWaalsContact C-N 3.33Å; K84-Y86 PolarHBondContact O-N 3.47Å; Y86-T88 PolarHBondContact O-N 3.28Å; Y86-L89 WeakPolarHBondContact O-CB 3.36Å; Y86-L89 PolarHBondContact O-N 2.93Å; Y86-E90 PolarHBondContact O-N 3.43Å; Y86-H110 AromaticContact CE2-CD2 3.74Å; Y86-H110 AromaticContact CE2-CE1 3.59Å; Y86-H110 AromaticContact CE2-NE2 3.41Å; Y86-H110 WeakPolarHBondContact CE2-NE2 3.35Å; Y86-H110 AromaticContact CZ-CE1 3.76Å; Y86-H110 AromaticContact CZ-NE2 3.5Å; Y86-H110 PolarHBondContact OH-CE1 3.49Å; Y86-H110 PolarHBondContact OH-NE2 3Å; Y86-L113 HydrophobicContact CD2-CB 3.95Å; Y86-A114 HydrophobicContact CE2-CB 4.09Å; Y86-A117 HydrophobicContact CD1-CB 3.93Å; Y86-A117 HydrophobicContact CD2-CB 4.03Å; Y86-A117 HydrophobicContact CE1-CB 4.24Å; Y86-A117 HydrophobicContact CE2-CB 4.32Å; Y86-A117 HydrophobicContact CG-CB 3.83Å
87Q91.5Very high87.3Confident99 Ų9979.1 Ų79.146%0.46339%0.39SS..Hα-helixtrans-62.2-41.1177.5-70.8176.6-11.200112.7S83 K84 E85 L89 E90 Q91S83-Q87 WeakPolarHBondContact O-CG 3.39Å; S83-Q87 PolarHBondContact O-N 3.03Å; K84-Q87 PolarHBondContact O-N 3.25Å; E85-Q87 PolarHBondContact O-N 3.5Å; Q87-L89 VanDerWaalsContact C-N 3.33Å; Q87-L89 PolarHBondContact O-N 3.09Å; Q87-E90 PolarHBondContact O-N 3.49Å; Q87-Q91 WeakPolarHBondContact O-CG 3.28Å; Q87-Q91 PolarHBondContact O-N 3.44Å
88T90.8Very high85.9Confident70 Ų7074.4 Ų74.443%0.42937%0.372SS..Hα-helixtrans-65.3-38.3177.458.10000112K84 E85 Y86 Q91 C92K84-T88 VanDerWaalsContact O-CG2 3.3Å; K84-T88 WeakPolarHBondContact O-CG2 3.25Å; K84-T88 PolarHBondContact O-N 3.29Å; K84-T88 PolarHBondContact O-OG1 3.28Å; E85-T88 WeakPolarHBondContact CA-OG1 3.32Å; E85-T88 PolarHBondContact O-N 3.44Å; E85-T88 PolarHBondContact O-OG1 3.24Å; Y86-T88 PolarHBondContact O-N 3.28Å; T88-Q91 PolarHBondContact O-N 3.06Å; T88-C92 WeakPolarHBondContact O-CB 3.49Å; T88-C92 PolarHBondContact O-N 3.43Å; T88-C92 PolarHBondContact O-SG 2.91Å
89L89.1Confident84.9Confident16 Ų1673.9 Ų73.98%0.08438%0.377CS..Hα-helixtrans-63.8-44.1175.7-67.5172.5000111.1E85 Y86 Q87 Q91 C92 L93 L106 R109 L113E85-L89 HydrophobicContact CG-CD1 4.25Å; E85-L89 VanDerWaalsContact O-CG 3.29Å; E85-L89 WeakPolarHBondContact O-CG 3.39Å; E85-L89 PolarHBondContact O-N 3.48Å; Y86-L89 WeakPolarHBondContact O-CB 3.36Å; Y86-L89 PolarHBondContact O-N 2.93Å; Q87-L89 VanDerWaalsContact C-N 3.33Å; Q87-L89 PolarHBondContact O-N 3.09Å; L89-Q91 PolarHBondContact O-N 3.42Å; L89-C92 PolarHBondContact O-N 3.33Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 2.96Å; L89-L106 HydrophobicContact CD2-CD2 3.33Å; L89-R109 HydrophobicContact CD1-CB 4.17Å; L89-R109 HydrophobicContact CD1-CG 3.68Å; L89-L113 HydrophobicContact CD1-CD1 3.96Å
90E88.8Confident84Confident77 Ų7779 Ų7936%0.3640%0.401SS..Hα-helixtrans-59-46176.6-173.4172.9-162.800111.4Y86 Q87 C92 L93 Q94Y86-E90 PolarHBondContact O-N 3.43Å; Q87-E90 PolarHBondContact O-N 3.49Å; E90-C92 PolarHBondContact O-N 3.16Å; E90-L93 PolarHBondContact O-N 2.62Å; E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 3.12Å; E90-Q94 VanDerWaalsContact O-N 3.09Å
91Q88.1Confident83Confident115 Ų11582 Ų8254%0.53742%0.415SS..Hα-helixtrans-62.7-42.9176-70.6172.41.200112.5Q87 T88 L89 L93 Q94 H95Q87-Q91 WeakPolarHBondContact O-CG 3.28Å; Q87-Q91 PolarHBondContact O-N 3.44Å; T88-Q91 PolarHBondContact O-N 3.06Å; L89-Q91 PolarHBondContact O-N 3.42Å; Q91-L93 VanDerWaalsContact C-N 3.3Å; Q91-L93 PolarHBondContact O-N 3.47Å; Q91-Q94 PolarHBondContact O-N 3.34Å; Q91-H95 PolarHBondContact O-N 2.84Å
92C85.9Confident82.3Confident43 Ų4382.4 Ų82.429%0.29142%0.417SS..Hα-helixtrans-62.7-36.9177-73.30000112.4T88 L89 E90 I96 L106T88-C92 WeakPolarHBondContact O-CB 3.49Å; T88-C92 PolarHBondContact O-N 3.43Å; T88-C92 PolarHBondContact O-SG 2.91Å; L89-C92 PolarHBondContact O-N 3.33Å; E90-C92 PolarHBondContact O-N 3.16Å; C92-I96 HydrophobicContact CB-CD1 4.2Å; C92-I96 PolarHBondContact O-N 3.26Å; C92-L106 HydrophobicContact CB-CD1 4.5Å
93L84.3Confident81.9Confident53 Ų5387 Ų8728%0.27743%0.434SS..Hα-helixtrans-70.2-30.9176.7-71.4171.5000112.6L89 E90 Q91 R103 L106 N107 H110L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 2.96Å; E90-L93 PolarHBondContact O-N 2.62Å; Q91-L93 VanDerWaalsContact C-N 3.3Å; Q91-L93 PolarHBondContact O-N 3.47Å; L93-R103 HydrophobicContact CD2-CG 4.24Å; L93-L106 HydrophobicContact CD2-CB 4.05Å; L93-N107 WeakPolarHBondContact CD1-OD1 3.43Å; L93-N107 VanDerWaalsContact CD2-OD1 3.25Å; L93-N107 WeakPolarHBondContact CD2-OD1 3.49Å; L93-H110 HydrophobicContact CD1-CB 4.19Å
94Q83.4Confident81.5Confident129 Ų12993.9 Ų93.960%0.60346%0.456SS*.Hα-helixtrans-81.1-35.2179.7-70.7177.89.600113.7E90 Q91E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 3.12Å; E90-Q94 VanDerWaalsContact O-N 3.09Å; Q91-Q94 PolarHBondContact O-N 3.34Å
95H70.9Confident81.1Confident149 Ų14991.4 Ų91.469%0.6945%0.453SS*.Hα-helixtrans-111.7-15.4-164.9-73.7-66.8000117Q91Q91-H95 PolarHBondContact O-N 2.84Å
96I66.1Low80.8Confident95 Ų9590.4 Ų90.449%0.48745%0.45SS..  trans-112133.1-168.9-56.4172.9000111.2C92 V98C92-I96 HydrophobicContact CB-CD1 4.2Å; C92-I96 PolarHBondContact O-N 3.26Å; I96-V98 HydrophobicContact CB-CG2 3.6Å; I96-V98 HydrophobicContact CG2-CG2 3.51Å; I96-V98 PolarHBondContact O-N 2.89Å
97P65.5Low80.6Confident132 Ų13291.2 Ų91.286%0.85746%0.458SS*.  trans-70.778.8162.230-32000108.8
98V63.2Low80.4Confident31 Ų3195 Ų9519%0.18847%0.467CS..  trans-77.5135.2179.9-176.40000109I96 N102 R103 L106I96-V98 HydrophobicContact CB-CG2 3.6Å; I96-V98 HydrophobicContact CG2-CG2 3.51Å; I96-V98 PolarHBondContact O-N 2.89Å; V98-N102 HydrophobicContact CG1-CB 3.27Å; V98-R103 HydrophobicContact CB-CB 4.34Å; V98-R103 HydrophobicContact CG1-CB 4.25Å; V98-L106 HydrophobicContact CG1-CD1 4.1Å; V98-L106 HydrophobicContact CG2-CD1 4.29Å
99N72.9Confident80.3Confident108 Ų10895.8 Ų95.858%0.57846%0.463SS*.  trans-48.3141.3169.9-173.816.1000110.5E101 N102 R103N99-E101 PolarHBondContact O-N 3.39Å; N99-E101 VanDerWaalsContact O-N 3.09Å; N99-N102 HydrophobicContact CB-CB 4.48Å; N99-N102 PolarHBondContact O-N 2.82Å; N99-R103 PolarHBondContact O-N 3.1Å
100E71.9Confident80.4Confident110 Ų11097 Ų9751%0.51447%0.468SS..Hα-helixtrans-54.5-38.5-171.1-76-145158.500113.7R103 R104E100-R103 PolarHBondContact O-N 3.47Å; E100-R104 WeakPolarHBondContact O-CG 3.31Å; E100-R104 PolarHBondContact O-N 3.19Å; E100-R104 VanDerWaalsContact O-N 3.09Å; E100-R104 IonicContact OE2-NH2 3.08Å; E100-R104 PolarHBondContact OE2-NH2 3.4Å
101E72.7Confident80.4Confident147 Ų14796.3 Ų96.369%0.68748%0.476SS*.Hα-helixtrans-66.8-43.2179.5-171.5166.6-161.200112.2N99 R103 R104 S105N99-E101 PolarHBondContact O-N 3.39Å; N99-E101 VanDerWaalsContact O-N 3.09Å; E101-R103 VanDerWaalsContact C-N 3.29Å; E101-R103 PolarHBondContact O-N 3Å; E101-R104 PolarHBondContact O-N 3.01Å; E101-S105 PolarHBondContact O-N 3.17Å
102N79.6Confident80.4Confident90 Ų9095.3 Ų95.348%0.48147%0.471SS..Hα-helixtrans-66.4-32.7174.6-71.9-15000111.4V98 N99 S105 L106V98-N102 HydrophobicContact CG1-CB 3.27Å; N99-N102 HydrophobicContact CB-CB 4.48Å; N99-N102 PolarHBondContact O-N 2.82Å; N102-S105 PolarHBondContact O-OG 3.16Å; N102-L106 WeakPolarHBondContact O-CB 3.35Å; N102-L106 WeakPolarHBondContact O-CG 3.43Å; N102-L106 PolarHBondContact O-N 3.45Å; N102-L106 VanDerWaalsContact O-N 3.09Å
103R83Confident80.6Confident110 Ų11093.8 Ų93.842%0.41546%0.46SS..Hα-helixtrans-69.2-36.7176.6-168.216861.889.5-0.1112L93 V98 N99 E100 E101 N107L93-R103 HydrophobicContact CD2-CG 4.24Å; V98-R103 HydrophobicContact CB-CB 4.34Å; V98-R103 HydrophobicContact CG1-CB 4.25Å; N99-R103 PolarHBondContact O-N 3.1Å; E100-R103 PolarHBondContact O-N 3.47Å; E101-R103 VanDerWaalsContact C-N 3.29Å; E101-R103 PolarHBondContact O-N 3Å; R103-N107 WeakPolarHBondContact O-CB 3.5Å; R103-N107 PolarHBondContact O-N 3.14Å; R103-N107 PolarHBondContact O-ND2 3Å
104R84Confident80.9Confident168 Ų16892.9 Ų92.963%0.63446%0.46SS*.Hα-helixtrans-65.5-42.9176.1-70.4175.4-164.8-178.27.2111.9E100 E101 R108E100-R104 WeakPolarHBondContact O-CG 3.31Å; E100-R104 PolarHBondContact O-N 3.19Å; E100-R104 VanDerWaalsContact O-N 3.09Å; E100-R104 IonicContact OE2-NH2 3.08Å; E100-R104 PolarHBondContact OE2-NH2 3.4Å; E101-R104 PolarHBondContact O-N 3.01Å; R104-R108 WeakPolarHBondContact O-CB 3.34Å; R104-R108 PolarHBondContact O-N 3.32Å
105S85.8Confident81.3Confident67 Ų6790 Ų9047%0.46945%0.452SS..Hα-helixtrans-67.2-42177.9600000112.2E101 N102 R108 R109E101-S105 PolarHBondContact O-N 3.17Å; N102-S105 PolarHBondContact O-OG 3.16Å; S105-R108 PolarHBondContact O-N 3.43Å; S105-R109 PolarHBondContact O-N 3.31Å
106L86.6Confident82.2Confident39 Ų3983.8 Ų83.820%0.20442%0.424CS..Hα-helixtrans-61.6-46.9174.3-68.7171.5000111.9L89 C92 L93 V98 N102 R108 R109 H110L89-L106 HydrophobicContact CD2-CD2 3.33Å; C92-L106 HydrophobicContact CB-CD1 4.5Å; L93-L106 HydrophobicContact CD2-CB 4.05Å; V98-L106 HydrophobicContact CG1-CD1 4.1Å; V98-L106 HydrophobicContact CG2-CD1 4.29Å; N102-L106 WeakPolarHBondContact O-CB 3.35Å; N102-L106 WeakPolarHBondContact O-CG 3.43Å; N102-L106 PolarHBondContact O-N 3.45Å; N102-L106 VanDerWaalsContact O-N 3.09Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 2.94Å; L106-R109 PolarHBondContact O-N 2.88Å; L106-H110 VanDerWaalsContact O-CB 3.3Å; L106-H110 WeakPolarHBondContact O-CB 3.43Å; L106-H110 PolarHBondContact O-N 3.36Å
107N87.8Confident83.4Confident68 Ų6880 Ų8036%0.36441%0.407SS..Hα-helixtrans-60.4-40.2176.6-83.4-28.5000112.3L93 R103 A111L93-N107 WeakPolarHBondContact CD1-OD1 3.43Å; L93-N107 VanDerWaalsContact CD2-OD1 3.25Å; L93-N107 WeakPolarHBondContact CD2-OD1 3.49Å; R103-N107 WeakPolarHBondContact O-CB 3.5Å; R103-N107 PolarHBondContact O-N 3.14Å; R103-N107 PolarHBondContact O-ND2 3Å; N107-A111 WeakPolarHBondContact O-CB 3.38Å; N107-A111 PolarHBondContact O-N 3.35Å
108R88.1Confident84.7Confident177 Ų17776.3 Ų76.367%0.66839%0.388SS*.Hα-helixtrans-62.6-49.5176.3-179.9179.9172.9165.53.6111R104 S105 L106 H110 A111 E112R104-R108 WeakPolarHBondContact O-CB 3.34Å; R104-R108 PolarHBondContact O-N 3.32Å; S105-R108 PolarHBondContact O-N 3.43Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 2.94Å; R108-H110 PolarHBondContact O-N 2.83Å; R108-A111 PolarHBondContact O-N 3.06Å; R108-E112 WeakPolarHBondContact CG-OE1 3.46Å; R108-E112 IonicContact CZ-OE1 3.28Å; R108-E112 IonicContact NE-OE1 2.75Å; R108-E112 PolarHBondContact NE-OE1 3.33Å; R108-E112 IonicContact NH2-OE1 2.79Å; R108-E112 WeakPolarHBondContact O-CG 3.46Å; R108-E112 PolarHBondContact O-N 3.05Å
109R89.6Confident86.1Confident88 Ų8875.5 Ų75.533%0.33238%0.382SS..Hα-helixtrans-63.4-41.3179.2-175.362.2175.1159.36112E85 L89 S105 L106 A111 E112 L113E85-R109 IonicContact OE1-CZ 3.93Å; E85-R109 IonicContact OE1-NE 3.88Å; E85-R109 PolarHBondContact OE1-NE 3.3Å; E85-R109 IonicContact OE1-NH2 3.05Å; E85-R109 PolarHBondContact OE1-NH2 2.93Å; E85-R109 VanDerWaalsContact OE1-NH2 3.08Å; E85-R109 IonicContact OE2-NH2 3.92Å; E85-R109 PolarHBondContact OE2-NH2 3.45Å; E85-R109 VanDerWaalsContact OE2-NH2 3.08Å; L89-R109 HydrophobicContact CD1-CB 4.17Å; L89-R109 HydrophobicContact CD1-CG 3.68Å; S105-R109 PolarHBondContact O-N 3.31Å; L106-R109 PolarHBondContact O-N 2.88Å; R109-A111 VanDerWaalsContact C-N 3.35Å; R109-A111 PolarHBondContact O-N 2.87Å; R109-E112 IonicContact NH1-OE2 3.19Å; R109-E112 PolarHBondContact O-N 3.1Å; R109-L113 HydrophobicContact CG-CD1 4.27Å; R109-L113 WeakPolarHBondContact O-CG 3.49Å; R109-L113 PolarHBondContact O-N 2.9Å
110H90.7Very high87.1Confident40 Ų4071.2 Ų71.219%0.18536%0.358CS..Hα-helixtrans-59.8-44.9174.6-177.7-79.5000111.4Y86 L93 L106 R108 E112 L113 A114Y86-H110 AromaticContact CE2-CD2 3.74Å; Y86-H110 AromaticContact CE2-CE1 3.59Å; Y86-H110 AromaticContact CE2-NE2 3.41Å; Y86-H110 WeakPolarHBondContact CE2-NE2 3.35Å; Y86-H110 AromaticContact CZ-CE1 3.76Å; Y86-H110 AromaticContact CZ-NE2 3.5Å; Y86-H110 PolarHBondContact OH-CE1 3.49Å; Y86-H110 PolarHBondContact OH-NE2 3Å; L93-H110 HydrophobicContact CD1-CB 4.19Å; L106-H110 VanDerWaalsContact O-CB 3.3Å; L106-H110 WeakPolarHBondContact O-CB 3.43Å; L106-H110 PolarHBondContact O-N 3.36Å; R108-H110 PolarHBondContact O-N 2.83Å; H110-E112 VanDerWaalsContact C-N 3.34Å; H110-E112 PolarHBondContact O-N 3.26Å; H110-L113 PolarHBondContact O-N 3.49Å; H110-A114 WeakPolarHBondContact O-CB 3.46Å; H110-A114 PolarHBondContact O-N 2.98Å
111A89.2Confident88Confident64 Ų6471.1 Ų71.153%0.52936%0.358SS..Hα-helixtrans-65.1-35.3176.500000113N107 R108 R109 P115N107-A111 WeakPolarHBondContact O-CB 3.38Å; N107-A111 PolarHBondContact O-N 3.35Å; R108-A111 PolarHBondContact O-N 3.06Å; R109-A111 VanDerWaalsContact C-N 3.35Å; R109-A111 PolarHBondContact O-N 2.87Å; A111-P115 WeakPolarHBondContact O-CD 3.26Å
112E88.3Confident89.1Confident94 Ų9467.4 Ų67.444%0.43934%0.34SS..Hα-helixtrans-66.5-37.5174.7-72.9169.7-172.200112.1R108 R109 H110R108-E112 WeakPolarHBondContact CG-OE1 3.46Å; R108-E112 IonicContact CZ-OE1 3.28Å; R108-E112 IonicContact NE-OE1 2.75Å; R108-E112 PolarHBondContact NE-OE1 3.33Å; R108-E112 IonicContact NH2-OE1 2.79Å; R108-E112 WeakPolarHBondContact O-CG 3.46Å; R108-E112 PolarHBondContact O-N 3.05Å; R109-E112 IonicContact NH1-OE2 3.19Å; R109-E112 PolarHBondContact O-N 3.1Å; H110-E112 VanDerWaalsContact C-N 3.34Å; H110-E112 PolarHBondContact O-N 3.26Å
113L90Very high89.7Confident11 Ų1163.1 Ų63.16%0.05832%0.317CS..Hα-helixtrans-85-25.2-178.4-68.9178.4000114L82 E85 Y86 L89 R109 H110 L116 A117L82-L113 HydrophobicContact CD2-CD2 4.08Å; E85-L113 HydrophobicContact CB-CD1 4.35Å; E85-L113 HydrophobicContact CG-CD1 4.02Å; Y86-L113 HydrophobicContact CD2-CB 3.95Å; L89-L113 HydrophobicContact CD1-CD1 3.96Å; R109-L113 HydrophobicContact CG-CD1 4.27Å; R109-L113 WeakPolarHBondContact O-CG 3.49Å; R109-L113 PolarHBondContact O-N 2.9Å; H110-L113 PolarHBondContact O-N 3.49Å; L113-L116 PolarHBondContact O-N 2.97Å; L113-L116 VanDerWaalsContact O-N 3.1Å; L113-A117 WeakPolarHBondContact O-CB 3.11Å; L113-A117 PolarHBondContact O-N 3.25Å
114A90.3Very high90.2Very high33 Ų3361.5 Ų61.527%0.27332%0.315SS..Hα-helixtrans-48-50-17900000115.2Y86 H110 L116 A117 A118Y86-A114 HydrophobicContact CE2-CB 4.09Å; H110-A114 WeakPolarHBondContact O-CB 3.46Å; H110-A114 PolarHBondContact O-N 2.98Å; A114-L116 VanDerWaalsContact C-N 3.31Å; A114-L116 PolarHBondContact O-N 2.68Å; A114-A117 PolarHBondContact O-N 3.47Å; A114-A118 WeakPolarHBondContact O-CB 3.34Å; A114-A118 PolarHBondContact O-N 3.33Å
115P90.4Very high90.7Very high69 Ų6958.2 Ų58.245%0.44831%0.307SS..Hα-helixtrans-64.2-37.7-179.925-34.5000112.3A111 A118 I119A111-P115 WeakPolarHBondContact O-CD 3.26Å; P115-A118 PolarHBondContact O-N 3.44Å; P115-I119 WeakPolarHBondContact O-CD1 3.26Å; P115-I119 WeakPolarHBondContact O-CG1 3.39Å; P115-I119 PolarHBondContact O-N 3.3Å; P115-I119 VanDerWaalsContact O-N 3.16Å
116L90.8Very high91.1Very high18 Ų1855.4 Ų55.49%0.09429%0.286CS..Hα-helixtrans-73.6-37.5-179.4-173134.3000111.9M79 L82 L113 A114 Y120 L170 L174M79-L116 HydrophobicContact SD-CD2 3.98Å; L82-L116 HydrophobicContact CB-CD2 4.19Å; L82-L116 HydrophobicContact CD1-CD2 3.55Å; L113-L116 PolarHBondContact O-N 2.97Å; L113-L116 VanDerWaalsContact O-N 3.1Å; A114-L116 VanDerWaalsContact C-N 3.31Å; A114-L116 PolarHBondContact O-N 2.68Å; L116-Y120 WeakPolarHBondContact O-CB 3.09Å; L116-Y120 PolarHBondContact O-N 2.97Å; L116-L170 HydrophobicContact CG-CD1 4.24Å; L116-L174 HydrophobicContact CD1-CD2 3.73Å; L116-L174 HydrophobicContact CD1-CG 4.21Å
117A91.5Very high91.3Very high15 Ų1556.2 Ų56.212%0.12429%0.289CS..Hα-helixtrans-63.7-40.7173.400000111.7Y86 L113 A114 Y120 Q121Y86-A117 HydrophobicContact CD1-CB 3.93Å; Y86-A117 HydrophobicContact CD2-CB 4.03Å; Y86-A117 HydrophobicContact CE1-CB 4.24Å; Y86-A117 HydrophobicContact CE2-CB 4.32Å; Y86-A117 HydrophobicContact CG-CB 3.83Å; L113-A117 WeakPolarHBondContact O-CB 3.11Å; L113-A117 PolarHBondContact O-N 3.25Å; A114-A117 PolarHBondContact O-N 3.47Å; A117-Y120 PolarHBondContact O-N 2.95Å; A117-Q121 WeakPolarHBondContact O-CB 3.16Å; A117-Q121 PolarHBondContact O-N 2.88Å
118A91.9Very high91.6Very high56 Ų5658.4 Ų58.446%0.46330%0.297SS..Hα-helixtrans-62.4-48.3176.600000112.3A114 P115 Y120 Q121 E122A114-A118 WeakPolarHBondContact O-CB 3.34Å; A114-A118 PolarHBondContact O-N 3.33Å; P115-A118 PolarHBondContact O-N 3.44Å; A118-Y120 VanDerWaalsContact C-N 3.32Å; A118-Y120 PolarHBondContact O-N 3.35Å; A118-Q121 PolarHBondContact O-N 3.31Å; A118-E122 PolarHBondContact O-N 2.92Å
119I92.9Very high91.8Very high14 Ų1451.6 Ų51.67%0.07228%0.279CS..Hα-helixtrans-61.5-43.3176.8-63.2160.6000110.5P115 Q121 E122 I123 E169 L170P115-I119 WeakPolarHBondContact O-CD1 3.26Å; P115-I119 WeakPolarHBondContact O-CG1 3.39Å; P115-I119 PolarHBondContact O-N 3.3Å; P115-I119 VanDerWaalsContact O-N 3.16Å; I119-Q121 PolarHBondContact O-N 3.09Å; I119-E122 PolarHBondContact O-N 2.93Å; I119-I123 HydrophobicContact CG2-CD1 4.01Å; I119-I123 VanDerWaalsContact O-CG1 3.31Å; I119-I123 WeakPolarHBondContact O-CG1 3.44Å; I119-I123 PolarHBondContact O-N 3.38Å; I119-E169 HydrophobicContact CD1-CG 3.87Å; I119-E169 HydrophobicContact CG1-CG 4.41Å; I119-L170 HydrophobicContact CB-CD1 4.23Å; I119-L170 HydrophobicContact CG2-CB 3.82Å; I119-L170 HydrophobicContact CG2-CD1 3.83Å; I119-L170 HydrophobicContact CG2-CG 4.42Å
120Y93.1Very high91.8Very high17 Ų1748.7 Ų48.77%0.06727%0.27CS..Hα-helixtrans-61.7-43.7178.3-179.4-105.4000112.1W70 M79 L116 A117 A118 I123 Q124W70-Y120 AromaticContact CH2-CD2 3.7Å; W70-Y120 HydrophobicContact CH2-CD2 3.7Å; W70-Y120 AromaticContact CH2-CE2 3.58Å; W70-Y120 HydrophobicContact CH2-CE2 3.58Å; W70-Y120 HydrophobicContact CZ2-CE2 4.28Å; W70-Y120 HydrophobicContact CZ3-CD2 4.48Å; M79-Y120 HydrophobicContact CB-CD2 3.62Å; M79-Y120 HydrophobicContact CB-CE2 3.39Å; M79-Y120 HydrophobicContact CB-CG 4.49Å; M79-Y120 HydrophobicContact CG-CD2 4.1Å; M79-Y120 HydrophobicContact CG-CE2 4.21Å; M79-Y120 HydrophobicContact SD-CD2 4.41Å; L116-Y120 WeakPolarHBondContact O-CB 3.09Å; L116-Y120 PolarHBondContact O-N 2.97Å; A117-Y120 PolarHBondContact O-N 2.95Å; A118-Y120 VanDerWaalsContact C-N 3.32Å; A118-Y120 PolarHBondContact O-N 3.35Å; Y120-I123 WeakPolarHBondContact O-CB 3.48Å; Y120-I123 PolarHBondContact O-N 2.85Å; Y120-Q124 HydrophobicContact CD1-CG 4.47Å; Y120-Q124 HydrophobicContact CE1-CG 4.09Å; Y120-Q124 WeakPolarHBondContact O-CG 3.45Å; Y120-Q124 PolarHBondContact O-N 3.35Å; Y120-Q124 PolarHBondContact OH-NE2 2.87Å
121Q92.8Very high91.8Very high109 Ų10953.2 Ų53.251%0.50929%0.291SS..Hα-helixtrans-62.7-44.3176.3-176179.7-23.100111.3A117 A118 I119 I123 Q124 E125A117-Q121 WeakPolarHBondContact O-CB 3.16Å; A117-Q121 PolarHBondContact O-N 2.88Å; A118-Q121 PolarHBondContact O-N 3.31Å; I119-Q121 PolarHBondContact O-N 3.09Å; Q121-I123 VanDerWaalsContact C-N 3.27Å; Q121-I123 PolarHBondContact O-N 3.42Å; Q121-Q124 WeakPolarHBondContact O-CB 3.41Å; Q121-Q124 PolarHBondContact O-N 3.41Å; Q121-Q124 VanDerWaalsContact O-N 3.09Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.1Å; Q121-E125 PolarHBondContact NE2-OE1 3.37Å; Q121-E125 WeakPolarHBondContact O-CG 3.41Å; Q121-E125 PolarHBondContact O-N 3.31Å
122E94.4Very high91.9Very high68 Ų6856.1 Ų56.132%0.31829%0.293SS..Hα-helixtrans-63.4-34.9178.2-165.3176.7179.400112.1A118 I119 T126 K162 L166A118-E122 PolarHBondContact O-N 2.92Å; I119-E122 PolarHBondContact O-N 2.93Å; E122-T126 VanDerWaalsContact O-CB 3.29Å; E122-T126 WeakPolarHBondContact O-CB 3.43Å; E122-T126 PolarHBondContact O-N 3.1Å; E122-T126 PolarHBondContact O-OG1 3.32Å; E122-K162 WeakPolarHBondContact OE1-CE 3.41Å; E122-K162 IonicContact OE1-NZ 3.36Å; E122-K162 PolarHBondContact OE1-NZ 3.26Å; E122-L166 HydrophobicContact CB-CD1 4.26Å; E122-L166 HydrophobicContact CB-CD2 4.3Å; E122-L166 HydrophobicContact CG-CD1 3.78Å; E122-L166 HydrophobicContact CG-CD2 4.06Å; E122-L166 WeakPolarHBondContact OE2-CD2 3.4Å
123I93.6Very high91.9Very high0 Ų052.2 Ų52.20%028%0.276CS..Hα-helixtrans-61.8-47.8171.6-71.2166.2000110.4W70 I119 Y120 Q121 E125 T126 E127 L166 Y167 L170W70-I123 HydrophobicContact CH2-CD1 4.44Å; W70-I123 HydrophobicContact CH2-CG2 4.09Å; W70-I123 HydrophobicContact CZ2-CG2 3.55Å; I119-I123 HydrophobicContact CG2-CD1 4.01Å; I119-I123 VanDerWaalsContact O-CG1 3.31Å; I119-I123 WeakPolarHBondContact O-CG1 3.44Å; I119-I123 PolarHBondContact O-N 3.38Å; Y120-I123 WeakPolarHBondContact O-CB 3.48Å; Y120-I123 PolarHBondContact O-N 2.85Å; Q121-I123 VanDerWaalsContact C-N 3.27Å; Q121-I123 PolarHBondContact O-N 3.42Å; I123-E125 PolarHBondContact O-N 3.1Å; I123-T126 PolarHBondContact O-N 2.63Å; I123-E127 HydrophobicContact CG2-CG 4.34Å; I123-E127 WeakPolarHBondContact O-CB 3.15Å; I123-E127 WeakPolarHBondContact O-CG 2.81Å; I123-E127 PolarHBondContact O-N 2.89Å; I123-L166 HydrophobicContact CD1-CB 4.24Å; I123-L166 HydrophobicContact CG1-CB 3.63Å; I123-L166 HydrophobicContact CG1-CD1 4.21Å; I123-L166 HydrophobicContact CG1-CG 4.48Å; I123-Y167 HydrophobicContact CD1-CD1 3.95Å; I123-Y167 HydrophobicContact CD1-CE1 4.31Å; I123-Y167 HydrophobicContact CG1-CD1 4.36Å; I123-Y167 HydrophobicContact CG1-CE1 4.42Å; I123-Y167 HydrophobicContact CG2-CD1 4.42Å; I123-Y167 HydrophobicContact CG2-CE1 3.71Å; I123-L170 HydrophobicContact CD1-CB 4.17Å; I123-L170 HydrophobicContact CD1-CD2 3.8Å; I123-L170 HydrophobicContact CD1-CG 4.42Å
124Q92.7Very high91.8Very high77 Ų7754.6 Ų54.636%0.3629%0.286SS..Hα-helixtrans-62-42.9179.9-68.7-174.6-55.300112.1Y120 Q121 T126 E127 Q128Y120-Q124 HydrophobicContact CD1-CG 4.47Å; Y120-Q124 HydrophobicContact CE1-CG 4.09Å; Y120-Q124 WeakPolarHBondContact O-CG 3.45Å; Y120-Q124 PolarHBondContact O-N 3.35Å; Y120-Q124 PolarHBondContact OH-NE2 2.87Å; Q121-Q124 WeakPolarHBondContact O-CB 3.41Å; Q121-Q124 PolarHBondContact O-N 3.41Å; Q121-Q124 VanDerWaalsContact O-N 3.09Å; Q124-T126 VanDerWaalsContact C-N 3.34Å; Q124-E127 PolarHBondContact O-N 2.97Å; Q124-Q128 WeakPolarHBondContact O-CG 2.94Å; Q124-Q128 PolarHBondContact O-N 3.09Å
125E94.4Very high91.6Very high99 Ų9956.2 Ų56.246%0.46330%0.296SS..Hα-helixtrans-63.5-41.2175.9-70.4172.7-17200111.4Q121 I123 Q128 A129Q121-E125 WeakPolarHBondContact CG-OE1 3.1Å; Q121-E125 PolarHBondContact NE2-OE1 3.37Å; Q121-E125 WeakPolarHBondContact O-CG 3.41Å; Q121-E125 PolarHBondContact O-N 3.31Å; I123-E125 PolarHBondContact O-N 3.1Å; E125-Q128 PolarHBondContact O-N 3.21Å; E125-A129 PolarHBondContact O-N 3.21Å
126T93.6Very high91.3Very high7 Ų758.7 Ų58.74%0.04330%0.303CS..Hα-helixtrans-68-38.4177.4-53.90000111.4E122 I123 Q124 A129 I130 I159 I163E122-T126 VanDerWaalsContact O-CB 3.29Å; E122-T126 WeakPolarHBondContact O-CB 3.43Å; E122-T126 PolarHBondContact O-N 3.1Å; E122-T126 PolarHBondContact O-OG1 3.32Å; I123-T126 PolarHBondContact O-N 2.63Å; Q124-T126 VanDerWaalsContact C-N 3.34Å; T126-A129 PolarHBondContact O-N 2.93Å; T126-I130 WeakPolarHBondContact O-CG1 3.42Å; T126-I130 PolarHBondContact O-N 2.88Å; T126-I159 HydrophobicContact CG2-CG2 3.63Å; T126-I163 HydrophobicContact CG2-CB 3.86Å; T126-I163 HydrophobicContact CG2-CD1 4.39Å; T126-I163 HydrophobicContact CG2-CG1 4.19Å
127E91.7Very high90.9Very high57 Ų5759.9 Ų59.927%0.26631%0.312SS..Hα-helixtrans-63.6-42174-74.8-178.8163.900111.7W70 I123 Q124 I130 E131 I163 Y167W70-E127 PolarHBondContact NE1-OE1 3.36Å; I123-E127 HydrophobicContact CG2-CG 4.34Å; I123-E127 WeakPolarHBondContact O-CB 3.15Å; I123-E127 WeakPolarHBondContact O-CG 2.81Å; I123-E127 PolarHBondContact O-N 2.89Å; Q124-E127 PolarHBondContact O-N 2.97Å; E127-I130 WeakPolarHBondContact O-CB 3.07Å; E127-I130 PolarHBondContact O-N 3.35Å; E127-E131 PolarHBondContact O-N 3.12Å; E127-I163 HydrophobicContact CG-CD1 3.52Å; E127-Y167 PolarHBondContact OE1-OH 3.25Å
128Q93.1Very high90.4Very high113 Ų11366.1 Ų66.153%0.52834%0.336SS..Hα-helixtrans-61.5-44.4173.6-73.8173.91.500111.7Q124 E125 I130 E131 E132Q124-Q128 WeakPolarHBondContact O-CG 2.94Å; Q124-Q128 PolarHBondContact O-N 3.09Å; E125-Q128 PolarHBondContact O-N 3.21Å; Q128-I130 VanDerWaalsContact C-N 3.28Å; Q128-I130 PolarHBondContact O-N 3.23Å; Q128-E131 PolarHBondContact O-N 3.36Å; Q128-E131 VanDerWaalsContact O-N 3.1Å; Q128-E132 WeakPolarHBondContact O-CG 3.21Å; Q128-E132 PolarHBondContact O-N 2.89Å
129A91.8Very high89.9Confident34 Ų3467.6 Ų67.628%0.28134%0.343SS..Hα-helixtrans-60.3-36.9176.500000112.4E125 T126 L133 I159E125-A129 PolarHBondContact O-N 3.21Å; T126-A129 PolarHBondContact O-N 2.93Å; A129-L133 VanDerWaalsContact O-CB 3.26Å; A129-L133 WeakPolarHBondContact O-CB 3.48Å; A129-L133 PolarHBondContact O-N 3.19Å; A129-I159 HydrophobicContact CB-CD1 4.45Å
130I91Very high88.9Confident28 Ų2868.4 Ų68.414%0.14435%0.348CS..Hα-helixtrans-63.8-46.7173.2-65.9170.3000110.6T126 E127 Q128 L133 E134 I159 I163T126-I130 WeakPolarHBondContact O-CG1 3.42Å; T126-I130 PolarHBondContact O-N 2.88Å; E127-I130 WeakPolarHBondContact O-CB 3.07Å; E127-I130 PolarHBondContact O-N 3.35Å; Q128-I130 VanDerWaalsContact C-N 3.28Å; Q128-I130 PolarHBondContact O-N 3.23Å; I130-L133 PolarHBondContact O-N 3.22Å; I130-E134 HydrophobicContact CG2-CG 4.36Å; I130-E134 WeakPolarHBondContact O-CB 3.44Å; I130-E134 WeakPolarHBondContact O-CG 3.41Å; I130-E134 PolarHBondContact O-N 3.29Å; I130-I159 HydrophobicContact CD1-CG2 3.88Å; I130-I159 HydrophobicContact CG1-CB 4.41Å; I130-I159 HydrophobicContact CG1-CG2 3.31Å; I130-I163 HydrophobicContact CD1-CD1 3.74Å; I130-I163 HydrophobicContact CD1-CG2 4.35Å
131E91Very high87.6Confident135 Ų13574 Ų7463%0.63138%0.378SS*.Hα-helixtrans-62.6-43179.7-72.4-175.517800112.1E127 Q128 E134 S135E127-E131 PolarHBondContact O-N 3.12Å; Q128-E131 PolarHBondContact O-N 3.36Å; Q128-E131 VanDerWaalsContact O-N 3.1Å; E131-E134 PolarHBondContact O-N 2.89Å; E131-S135 WeakPolarHBondContact O-CB 3.38Å; E131-S135 PolarHBondContact O-N 3.16Å
132E90.2Very high86.6Confident124 Ų12475.6 Ų75.658%0.57938%0.384SS*.Hα-helixtrans-60.6-49.2175.2-72.6178.5-178.100110.9Q128 E134 S135 M136Q128-E132 WeakPolarHBondContact O-CG 3.21Å; Q128-E132 PolarHBondContact O-N 2.89Å; E132-E134 VanDerWaalsContact C-N 3.34Å; E132-E134 PolarHBondContact O-N 3.33Å; E132-S135 WeakPolarHBondContact O-CB 3.49Å; E132-S135 PolarHBondContact O-N 2.82Å; E132-S135 VanDerWaalsContact O-N 3.12Å; E132-S135 PolarHBondContact O-OG 3.42Å; E132-M136 WeakPolarHBondContact O-CG 3.3Å; E132-M136 PolarHBondContact O-N 2.91Å
133L88.5Confident85Confident13 Ų1380.8 Ų80.87%0.06841%0.408CS..Hα-helixtrans-61.4-41.8177.7-172.2151.8000111.8A129 I130 S135 M136 C137 E155 R156 I159A129-L133 VanDerWaalsContact O-CB 3.26Å; A129-L133 WeakPolarHBondContact O-CB 3.48Å; A129-L133 PolarHBondContact O-N 3.19Å; I130-L133 PolarHBondContact O-N 3.22Å; L133-S135 VanDerWaalsContact C-N 3.33Å; L133-S135 PolarHBondContact O-N 3.44Å; L133-M136 PolarHBondContact O-N 2.74Å; L133-C137 WeakPolarHBondContact O-CB 3.27Å; L133-C137 PolarHBondContact O-N 2.88Å; L133-C137 PolarHBondContact O-SG 3.48Å; L133-E155 HydrophobicContact CD1-CB 3.89Å; L133-E155 HydrophobicContact CD1-CG 3.63Å; L133-R156 HydrophobicContact CD2-CB 3.9Å; L133-R156 HydrophobicContact CD2-CG 4.41Å; L133-I159 HydrophobicContact CD1-CD1 3.96Å
134E87.1Confident83.5Confident61 Ų6188.4 Ų88.429%0.28545%0.449SS..Hα-helixtrans-64.7-36.7175.4-76-166166.300112.2I130 E131 E132 K138 R156I130-E134 HydrophobicContact CG2-CG 4.36Å; I130-E134 WeakPolarHBondContact O-CB 3.44Å; I130-E134 WeakPolarHBondContact O-CG 3.41Å; I130-E134 PolarHBondContact O-N 3.29Å; E131-E134 PolarHBondContact O-N 2.89Å; E132-E134 VanDerWaalsContact C-N 3.34Å; E132-E134 PolarHBondContact O-N 3.33Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.38Å; E134-K138 PolarHBondContact O-N 3.3Å; E134-K138 VanDerWaalsContact O-N 3.07Å; E134-R156 IonicContact OE1-CZ 3.83Å; E134-R156 IonicContact OE1-NH1 2.82Å; E134-R156 PolarHBondContact OE1-NH1 3.05Å; E134-R156 IonicContact OE1-NH2 3.43Å; E134-R156 PolarHBondContact OE1-NH2 3.29Å
135S87.1Confident82.6Confident67 Ų6787 Ų8747%0.46944%0.442SS..Hα-helixtrans-66.4-42175.582.10000111.8E131 E132 L133 K138 S139E131-S135 WeakPolarHBondContact O-CB 3.38Å; E131-S135 PolarHBondContact O-N 3.16Å; E132-S135 WeakPolarHBondContact O-CB 3.49Å; E132-S135 PolarHBondContact O-N 2.82Å; E132-S135 VanDerWaalsContact O-N 3.12Å; E132-S135 PolarHBondContact O-OG 3.42Å; L133-S135 VanDerWaalsContact C-N 3.33Å; L133-S135 PolarHBondContact O-N 3.44Å; S135-K138 PolarHBondContact O-N 3.16Å; S135-S139 PolarHBondContact O-N 3.38Å
136M84.3Confident81.8Confident121 Ų12188.9 Ų88.960%0.59645%0.449SS*.Hα-helixtrans-62-47.9175-70.6177.366.300110.6E132 L133 K138 S139 L140E132-M136 WeakPolarHBondContact O-CG 3.3Å; E132-M136 PolarHBondContact O-N 2.91Å; L133-M136 PolarHBondContact O-N 2.74Å; M136-K138 VanDerWaalsContact C-N 3.29Å; M136-K138 PolarHBondContact O-N 3Å; M136-S139 PolarHBondContact O-N 3.05Å; M136-S139 PolarHBondContact O-OG 2.9Å; M136-L140 WeakPolarHBondContact O-CG 3.36Å; M136-L140 PolarHBondContact O-N 3.4Å
137C81.8Confident81.1Confident43 Ų4396.1 Ų96.129%0.29148%0.482SS..Hα-helixtrans-57.3-39.6176.3-700000112.7L133 S139 L140L133-C137 WeakPolarHBondContact O-CB 3.27Å; L133-C137 PolarHBondContact O-N 2.88Å; L133-C137 PolarHBondContact O-SG 3.48Å; C137-S139 VanDerWaalsContact C-N 3.26Å; C137-S139 PolarHBondContact O-N 3.4Å; C137-L140 PolarHBondContact O-N 3.1Å
138K82.1Confident80.6Confident146 Ų14697.9 Ų97.964%0.63549%0.493SS*.Hα-helixtrans-67-26.1177.7-74.4168.7-171.6165.50113.3E134 S135 M136 N141E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.38Å; E134-K138 PolarHBondContact O-N 3.3Å; E134-K138 VanDerWaalsContact O-N 3.07Å; S135-K138 PolarHBondContact O-N 3.16Å; M136-K138 VanDerWaalsContact C-N 3.29Å; M136-K138 PolarHBondContact O-N 3Å; K138-N141 PolarHBondContact O-ND2 2.99Å
139S80.3Confident80Confident87 Ų8796.2 Ų96.261%0.60849%0.485SS*.Hα-helixtrans-80.7-25.7176.972.10000113.2S135 M136 C137 N141S135-S139 PolarHBondContact O-N 3.38Å; M136-S139 PolarHBondContact O-N 3.05Å; M136-S139 PolarHBondContact O-OG 2.9Å; C137-S139 VanDerWaalsContact C-N 3.26Å; C137-S139 PolarHBondContact O-N 3.4Å; S139-N141 PolarHBondContact O-N 2.86Å
140L72.9Confident79.7Confident31 Ų31100.7 Ų100.716%0.16250%0.5CS..  trans-81.376.6179.5-64.7167.1000110.9M136 C137 E145 L148 Q149M136-L140 WeakPolarHBondContact O-CG 3.36Å; M136-L140 PolarHBondContact O-N 3.4Å; C137-L140 PolarHBondContact O-N 3.1Å; L140-E145 VanDerWaalsContact CA-OE2 3.23Å; L140-E145 WeakPolarHBondContact CA-OE2 3.43Å; L140-E145 WeakPolarHBondContact CB-OE2 3.47Å; L140-E145 HydrophobicContact CD2-CB 4.44Å; L140-E145 HydrophobicContact CD2-CG 4.37Å; L140-E145 WeakPolarHBondContact CD2-OE2 3.49Å; L140-L148 HydrophobicContact CD1-CB 4.43Å; L140-L148 HydrophobicContact CD2-CD1 4.39Å; L140-Q149 PolarHBondContact O-NE2 2.99Å
141N64.4Low79.4Confident133 Ų133104.3 Ų104.371%0.71152%0.519SS*.  trans-104.26.7-177-72.9-49.5000114.4K138 S139K138-N141 PolarHBondContact O-ND2 2.99Å; S139-N141 PolarHBondContact O-N 2.86Å
142K71.6Confident79.1Confident143 Ų14398.4 Ų98.462%0.62249%0.494SS*.  trans-95.6139.9-175.6-66177.4-176.8171.30111.2D144 E145K142-D144 PolarHBondContact O-N 2.91Å; K142-E145 HydrophobicContact CB-CG 4.36Å; K142-E145 PolarHBondContact O-N 3.48Å; K142-E145 VanDerWaalsContact O-N 3.11Å
143Q62.1Low78.9Confident177 Ų17797.3 Ų97.383%0.82749%0.492SS*.G310 helixtrans-59.8-18.4178.7-80.3-179-41.800113.9E145Q143-E145 VanDerWaalsContact C-N 3.32Å
144D62.1Low78.9Confident161 Ų161102.6 Ų102.686%0.86152%0.516SS*.G310 helixtrans-82.9-3.9179.4-61.3-34.7000113.8K142K142-D144 PolarHBondContact O-N 2.91Å
145E72.6Confident79Confident47 Ų47105 Ų10522%0.2253%0.527CS..G310 helixtrans-106.719.9-173.2-65170.7170.800113.3L140 K142 Q143 Q147 L148 Q149L140-E145 VanDerWaalsContact CA-OE2 3.23Å; L140-E145 WeakPolarHBondContact CA-OE2 3.43Å; L140-E145 WeakPolarHBondContact CB-OE2 3.47Å; L140-E145 HydrophobicContact CD2-CB 4.44Å; L140-E145 HydrophobicContact CD2-CG 4.37Å; L140-E145 WeakPolarHBondContact CD2-OE2 3.49Å; K142-E145 HydrophobicContact CB-CG 4.36Å; K142-E145 PolarHBondContact O-N 3.48Å; K142-E145 VanDerWaalsContact O-N 3.11Å; Q143-E145 VanDerWaalsContact C-N 3.32Å; E145-Q147 VanDerWaalsContact C-N 3.3Å; E145-Q147 PolarHBondContact O-N 3.46Å; E145-L148 HydrophobicContact CB-CB 4.48Å; E145-L148 HydrophobicContact CB-CD1 4.36Å; E145-L148 HydrophobicContact CG-CD1 4.27Å; E145-L148 WeakPolarHBondContact O-CB 3.34Å; E145-L148 PolarHBondContact O-N 3.4Å; E145-Q149 PolarHBondContact O-N 3.43Å
146K78.1Confident79Confident139 Ų139106.3 Ų106.360%0.60452%0.522SS*.Hα-helixtrans-55.4-40.9-178.6-74.4-176.3179.4-178.30113.8L148 Q149 E150K146-L148 VanDerWaalsContact C-N 3.32Å; K146-L148 PolarHBondContact O-N 3.42Å; K146-Q149 PolarHBondContact O-N 2.9Å; K146-E150 PolarHBondContact O-N 2.89Å
147Q79.6Confident79.3Confident158 Ų158106.4 Ų106.474%0.73852%0.521SS*.Hα-helixtrans-65-36.7178-70179.9-26.300112E145 L151E145-Q147 VanDerWaalsContact C-N 3.3Å; E145-Q147 PolarHBondContact O-N 3.46Å; Q147-L151 WeakPolarHBondContact O-CG 3.47Å; Q147-L151 PolarHBondContact O-N 3.37Å; Q147-L151 VanDerWaalsContact O-N 3.16Å
148L81.5Confident79.7Confident94 Ų94108.2 Ų108.249%0.49253%0.531SS..Hα-helixtrans-69.9-36.7175.6-73.9166.8000111.6L140 E145 K146 A152L140-L148 HydrophobicContact CD1-CB 4.43Å; L140-L148 HydrophobicContact CD2-CD1 4.39Å; E145-L148 HydrophobicContact CB-CB 4.48Å; E145-L148 HydrophobicContact CB-CD1 4.36Å; E145-L148 HydrophobicContact CG-CD1 4.27Å; E145-L148 WeakPolarHBondContact O-CB 3.34Å; E145-L148 PolarHBondContact O-N 3.4Å; K146-L148 VanDerWaalsContact C-N 3.32Å; K146-L148 PolarHBondContact O-N 3.42Å; L148-A152 WeakPolarHBondContact O-CB 3.4Å; L148-A152 PolarHBondContact O-N 3.05Å
149Q80.8Confident80.1Confident79 Ų79102.4 Ų102.437%0.36951%0.506SS..Hα-helixtrans-65.5-41.1174.6-71.3-179.4-12.200112.3L140 E145 K146 A152 L153L140-Q149 PolarHBondContact O-NE2 2.99Å; E145-Q149 PolarHBondContact O-N 3.43Å; K146-Q149 PolarHBondContact O-N 2.9Å; Q149-A152 PolarHBondContact O-N 3.33Å; Q149-L153 WeakPolarHBondContact O-CG 3.43Å; Q149-L153 PolarHBondContact O-N 3.34Å
150E84.5Confident80.5Confident128 Ų128100 Ų10060%0.59849%0.487SS*.Hα-helixtrans-61.8-46.9175.5-76.7174.8179.500111.6K146 A152 L153 E154K146-E150 PolarHBondContact O-N 2.89Å; E150-A152 VanDerWaalsContact C-N 3.34Å; E150-A152 PolarHBondContact O-N 3.42Å; E150-L153 PolarHBondContact O-N 3.29Å; E150-E154 PolarHBondContact O-N 3.28Å
151L85.4Confident81.3Confident103 Ų103104.7 Ų104.754%0.53951%0.508SS..Hα-helixtrans-59.9-43175.8-70.8170.7000112.3Q147 L153 E154 E155Q147-L151 WeakPolarHBondContact O-CG 3.47Å; Q147-L151 PolarHBondContact O-N 3.37Å; Q147-L151 VanDerWaalsContact O-N 3.16Å; L151-L153 VanDerWaalsContact C-N 3.31Å; L151-L153 PolarHBondContact O-N 2.84Å; L151-E154 PolarHBondContact O-N 3.02Å; L151-E155 PolarHBondContact O-N 3.18Å
152A84.6Confident82.6Confident12 Ų12102.8 Ų102.810%0.09949%0.493CS..Hα-helixtrans-65.8-33177.800000112.6L148 Q149 E150 R156L148-A152 WeakPolarHBondContact O-CB 3.4Å; L148-A152 PolarHBondContact O-N 3.05Å; Q149-A152 PolarHBondContact O-N 3.33Å; E150-A152 VanDerWaalsContact C-N 3.34Å; E150-A152 PolarHBondContact O-N 3.42Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.33Å; A152-R156 PolarHBondContact O-N 3.39Å
153L85.1Confident83.6Confident101 Ų10196.1 Ų96.153%0.52946%0.464SS..Hα-helixtrans-69.1-39.4174.2-73.7173.6000112.2Q149 E150 L151 R156 Q157Q149-L153 WeakPolarHBondContact O-CG 3.43Å; Q149-L153 PolarHBondContact O-N 3.34Å; E150-L153 PolarHBondContact O-N 3.29Å; L151-L153 VanDerWaalsContact C-N 3.31Å; L151-L153 PolarHBondContact O-N 2.84Å; L153-R156 PolarHBondContact O-N 3.15Å; L153-Q157 WeakPolarHBondContact O-CG 3.37Å; L153-Q157 PolarHBondContact O-N 2.94Å
154E88.1Confident84.8Confident124 Ų12490.2 Ų90.258%0.57944%0.438SS*.Hα-helixtrans-63.7-46.2174.4-70.4-179.6175.300111.2E150 L151 R156 Q157 T158E150-E154 PolarHBondContact O-N 3.28Å; L151-E154 PolarHBondContact O-N 3.02Å; E154-R156 VanDerWaalsContact C-N 3.34Å; E154-R156 PolarHBondContact O-N 3.3Å; E154-Q157 WeakPolarHBondContact O-CB 3.35Å; E154-Q157 PolarHBondContact O-N 3Å; E154-Q157 VanDerWaalsContact O-N 3.14Å; E154-T158 PolarHBondContact O-N 3.41Å; E154-T158 VanDerWaalsContact O-N 3.09Å
155E89.6Confident86.2Confident112 Ų11289 Ų8952%0.52343%0.429SS..Hα-helixtrans-63.4-39.7176.1-173.4171.6-162.500112L133 L151 Q157 T158 I159L133-E155 HydrophobicContact CD1-CB 3.89Å; L133-E155 HydrophobicContact CD1-CG 3.63Å; L151-E155 PolarHBondContact O-N 3.18Å; E155-Q157 VanDerWaalsContact C-N 3.29Å; E155-Q157 PolarHBondContact O-N 3.32Å; E155-T158 PolarHBondContact O-N 2.84Å; E155-T158 PolarHBondContact O-OG1 3.18Å; E155-I159 HydrophobicContact CG-CD1 3.98Å; E155-I159 HydrophobicContact CG-CG1 4.5Å; E155-I159 VanDerWaalsContact O-CG1 3.28Å; E155-I159 WeakPolarHBondContact O-CG1 3.42Å; E155-I159 PolarHBondContact O-N 3.34Å
156R88.4Confident87.1Confident93 Ų9387.1 Ų87.135%0.35142%0.42SS..Hα-helixtrans-57.9-43.3172.3-176.5-176.7176.3136.818.3111.7L133 E134 A152 L153 E154 I159 D160L133-R156 HydrophobicContact CD2-CB 3.9Å; L133-R156 HydrophobicContact CD2-CG 4.41Å; E134-R156 IonicContact OE1-CZ 3.83Å; E134-R156 IonicContact OE1-NH1 2.82Å; E134-R156 PolarHBondContact OE1-NH1 3.05Å; E134-R156 IonicContact OE1-NH2 3.43Å; E134-R156 PolarHBondContact OE1-NH2 3.29Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.33Å; A152-R156 PolarHBondContact O-N 3.39Å; L153-R156 PolarHBondContact O-N 3.15Å; E154-R156 VanDerWaalsContact C-N 3.34Å; E154-R156 PolarHBondContact O-N 3.3Å; R156-I159 PolarHBondContact O-N 3.46Å; R156-D160 IonicContact NE-OD2 3.08Å; R156-D160 WeakPolarHBondContact O-CB 3.28Å; R156-D160 PolarHBondContact O-N 3.25Å
157Q89.1Confident87.7Confident123 Ų12380.8 Ų80.858%0.57539%0.393SS*.Hα-helixtrans-64.8-39.7179.4-74.3178.91100112.2L153 E154 E155 D160 Q161L153-Q157 WeakPolarHBondContact O-CG 3.37Å; L153-Q157 PolarHBondContact O-N 2.94Å; E154-Q157 WeakPolarHBondContact O-CB 3.35Å; E154-Q157 PolarHBondContact O-N 3Å; E154-Q157 VanDerWaalsContact O-N 3.14Å; E155-Q157 VanDerWaalsContact C-N 3.29Å; E155-Q157 PolarHBondContact O-N 3.32Å; Q157-D160 PolarHBondContact O-N 2.92Å; Q157-Q161 VanDerWaalsContact O-CG 3.29Å; Q157-Q161 WeakPolarHBondContact O-CG 3.21Å; Q157-Q161 PolarHBondContact O-N 3.11Å
158T91Very high88.1Confident81 Ų8176.3 Ų76.350%0.49737%0.374SS..Hα-helixtrans-67.2-41.4177.659.10000111.2E154 E155 Q161 K162E154-T158 PolarHBondContact O-N 3.41Å; E154-T158 VanDerWaalsContact O-N 3.09Å; E155-T158 PolarHBondContact O-N 2.84Å; E155-T158 PolarHBondContact O-OG1 3.18Å; T158-Q161 PolarHBondContact O-N 3.05Å; T158-K162 PolarHBondContact O-N 3.49Å
159I90.9Very high88.4Confident25 Ų2576.7 Ų76.713%0.12837%0.373CS..Hα-helixtrans-66.2-42175.9-63.3173.1000111.1T126 A129 I130 L133 E155 R156 Q161 K162 I163T126-I159 HydrophobicContact CG2-CG2 3.63Å; A129-I159 HydrophobicContact CB-CD1 4.45Å; I130-I159 HydrophobicContact CD1-CG2 3.88Å; I130-I159 HydrophobicContact CG1-CB 4.41Å; I130-I159 HydrophobicContact CG1-CG2 3.31Å; L133-I159 HydrophobicContact CD1-CD1 3.96Å; E155-I159 HydrophobicContact CG-CD1 3.98Å; E155-I159 HydrophobicContact CG-CG1 4.5Å; E155-I159 VanDerWaalsContact O-CG1 3.28Å; E155-I159 WeakPolarHBondContact O-CG1 3.42Å; E155-I159 PolarHBondContact O-N 3.34Å; R156-I159 PolarHBondContact O-N 3.46Å; I159-Q161 VanDerWaalsContact C-N 3.29Å; I159-Q161 PolarHBondContact O-N 3.01Å; I159-K162 PolarHBondContact O-N 3.25Å; I159-I163 PolarHBondContact O-N 3.47Å
160D88.1Confident88.9Confident37 Ų3772.9 Ų72.920%0.19836%0.356CS..Hα-helixtrans-62.9-33.3174.8-95.5-46000112K67 R156 Q157 I163 N164K67-D160 IonicContact NZ-OD1 3.49Å; K67-D160 PolarHBondContact NZ-OD1 3.49Å; R156-D160 IonicContact NE-OD2 3.08Å; R156-D160 WeakPolarHBondContact O-CB 3.28Å; R156-D160 PolarHBondContact O-N 3.25Å; Q157-D160 PolarHBondContact O-N 2.92Å; D160-I163 WeakPolarHBondContact O-CG2 3.49Å; D160-N164 VanDerWaalsContact O-CG 3.24Å; D160-N164 PolarHBondContact O-N 3.02Å; D160-N164 PolarHBondContact O-ND2 3.48Å
161Q90Very high89Confident128 Ų12868.9 Ų68.960%0.59834%0.336SS*.Hα-helixtrans-69.9-45172.8-73.3172.511.900111.2Q157 T158 I159 I163 N164 M165Q157-Q161 VanDerWaalsContact O-CG 3.29Å; Q157-Q161 WeakPolarHBondContact O-CG 3.21Å; Q157-Q161 PolarHBondContact O-N 3.11Å; T158-Q161 PolarHBondContact O-N 3.05Å; I159-Q161 VanDerWaalsContact C-N 3.29Å; I159-Q161 PolarHBondContact O-N 3.01Å; Q161-I163 PolarHBondContact O-N 3.29Å; Q161-N164 PolarHBondContact O-N 3.25Å; Q161-M165 WeakPolarHBondContact O-CG 3.42Å; Q161-M165 PolarHBondContact O-N 2.84Å; Q161-M165 VanDerWaalsContact O-N 3.08Å
162K91.8Very high88.9Confident93 Ų9370.3 Ų70.340%0.40434%0.34SS..Hα-helixtrans-58.3-49.1178.2-173.2-178.5178.9-169.30111.4E122 T158 I159 N164 M165 L166E122-K162 WeakPolarHBondContact OE1-CE 3.41Å; E122-K162 IonicContact OE1-NZ 3.36Å; E122-K162 PolarHBondContact OE1-NZ 3.26Å; T158-K162 PolarHBondContact O-N 3.49Å; I159-K162 PolarHBondContact O-N 3.25Å; K162-N164 VanDerWaalsContact C-N 3.31Å; K162-N164 PolarHBondContact O-N 2.94Å; K162-M165 WeakPolarHBondContact O-CB 3.46Å; K162-M165 PolarHBondContact O-N 3.28Å; K162-M165 VanDerWaalsContact O-N 3.12Å; K162-L166 HydrophobicContact CG-CD1 4.3Å; K162-L166 WeakPolarHBondContact O-CG 3.4Å; K162-L166 PolarHBondContact O-N 2.96Å
163I91.4Very high89Confident3 Ų372.2 Ų72.22%0.01535%0.352CS..Hα-helixtrans-63.9-36.9-178.4-158.8172.2000112.2T126 E127 I130 I159 D160 Q161 M165 L166 Y167T126-I163 HydrophobicContact CG2-CB 3.86Å; T126-I163 HydrophobicContact CG2-CD1 4.39Å; T126-I163 HydrophobicContact CG2-CG1 4.19Å; E127-I163 HydrophobicContact CG-CD1 3.52Å; I130-I163 HydrophobicContact CD1-CD1 3.74Å; I130-I163 HydrophobicContact CD1-CG2 4.35Å; I159-I163 PolarHBondContact O-N 3.47Å; D160-I163 WeakPolarHBondContact O-CG2 3.49Å; Q161-I163 PolarHBondContact O-N 3.29Å; I163-M165 VanDerWaalsContact C-N 3.34Å; I163-M165 PolarHBondContact O-N 2.99Å; I163-L166 PolarHBondContact O-N 3.49Å; I163-Y167 HydrophobicContact CD1-CE1 4.44Å; I163-Y167 HydrophobicContact CD1-CE2 4.27Å; I163-Y167 VanDerWaalsContact CD1-OH 3.27Å; I163-Y167 WeakPolarHBondContact CD1-OH 3.45Å; I163-Y167 HydrophobicContact CG1-CE1 4.05Å; I163-Y167 HydrophobicContact CG1-CE2 3.89Å; I163-Y167 HydrophobicContact CG2-CE2 4.44Å; I163-Y167 WeakPolarHBondContact O-CD2 3.42Å; I163-Y167 PolarHBondContact O-N 3.3Å
164N89.1Confident89Confident54 Ų5469.4 Ų69.429%0.28934%0.338SS..Hα-helixtrans-66.6-36.5175.7-74.5-39.1000112.1D160 Q161 K162 N168D160-N164 VanDerWaalsContact O-CG 3.24Å; D160-N164 PolarHBondContact O-N 3.02Å; D160-N164 PolarHBondContact O-ND2 3.48Å; Q161-N164 PolarHBondContact O-N 3.25Å; K162-N164 VanDerWaalsContact C-N 3.31Å; K162-N164 PolarHBondContact O-N 2.94Å; N164-N168 VanDerWaalsContact O-CG 3.25Å; N164-N168 PolarHBondContact O-N 3.44Å; N164-N168 VanDerWaalsContact O-N 3.16Å; N164-N168 PolarHBondContact O-ND2 2.75Å
165M90.4Very high88.7Confident135 Ų13568.1 Ų68.167%0.66534%0.338SS*.Hα-helixtrans-64-45.4173-71.1177.859.200111.3Q161 K162 I163 Y167 N168 E169Q161-M165 WeakPolarHBondContact O-CG 3.42Å; Q161-M165 PolarHBondContact O-N 2.84Å; Q161-M165 VanDerWaalsContact O-N 3.08Å; K162-M165 WeakPolarHBondContact O-CB 3.46Å; K162-M165 PolarHBondContact O-N 3.28Å; K162-M165 VanDerWaalsContact O-N 3.12Å; I163-M165 VanDerWaalsContact C-N 3.34Å; I163-M165 PolarHBondContact O-N 2.99Å; M165-Y167 PolarHBondContact O-N 3.39Å; M165-N168 WeakPolarHBondContact O-CB 3.35Å; M165-N168 PolarHBondContact O-N 3.33Å; M165-N168 VanDerWaalsContact O-N 3.14Å; M165-E169 PolarHBondContact O-N 2.97Å
166L91.6Very high88.1Confident7 Ų767.5 Ų67.54%0.03734%0.344CS..Hα-helixtrans-61.7-41177.9-67.7171000112.3E122 I123 K162 I163 N168 E169 L170E122-L166 HydrophobicContact CB-CD1 4.26Å; E122-L166 HydrophobicContact CB-CD2 4.3Å; E122-L166 HydrophobicContact CG-CD1 3.78Å; E122-L166 HydrophobicContact CG-CD2 4.06Å; E122-L166 WeakPolarHBondContact OE2-CD2 3.4Å; I123-L166 HydrophobicContact CD1-CB 4.24Å; I123-L166 HydrophobicContact CG1-CB 3.63Å; I123-L166 HydrophobicContact CG1-CD1 4.21Å; I123-L166 HydrophobicContact CG1-CG 4.48Å; K162-L166 HydrophobicContact CG-CD1 4.3Å; K162-L166 WeakPolarHBondContact O-CG 3.4Å; K162-L166 PolarHBondContact O-N 2.96Å; I163-L166 PolarHBondContact O-N 3.49Å; L166-N168 VanDerWaalsContact C-N 3.34Å; L166-N168 PolarHBondContact O-N 3.49Å; L166-E169 PolarHBondContact O-N 3.27Å; L166-L170 WeakPolarHBondContact O-CB 3.36Å; L166-L170 PolarHBondContact O-N 3.3Å
167Y90.5Very high87.3Confident7 Ų771.6 Ų71.63%0.02736%0.364CS..Hα-helixtrans-59.2-46.4173.2-65.8-31.2000111.5K67 W70 I123 E127 I163 M165 E169 L170 F171K67-Y167 HydrophobicContact CB-CD2 4.28Å; K67-Y167 HydrophobicContact CB-CE2 4.22Å; K67-Y167 HydrophobicContact CG-CE2 4.04Å; W70-Y167 HydrophobicContact CB-CD1 3.98Å; W70-Y167 HydrophobicContact CB-CD2 4.43Å; W70-Y167 HydrophobicContact CB-CE1 3.88Å; W70-Y167 HydrophobicContact CB-CE2 4.32Å; W70-Y167 HydrophobicContact CB-CG 4.27Å; W70-Y167 AromaticContact CD1-CE1 3.25Å; W70-Y167 AromaticContact CD1-CZ 3.21Å; W70-Y167 AromaticContact CD2-CD1 3.92Å; W70-Y167 HydrophobicContact CD2-CD1 3.92Å; W70-Y167 AromaticContact CD2-CE1 3.51Å; W70-Y167 HydrophobicContact CD2-CE1 3.51Å; W70-Y167 AromaticContact CE2-CE1 3.61Å; W70-Y167 HydrophobicContact CE3-CD1 4.33Å; W70-Y167 HydrophobicContact CE3-CE1 4.31Å; W70-Y167 AromaticContact CG-CD1 3.75Å; W70-Y167 HydrophobicContact CG-CD1 3.75Å; W70-Y167 AromaticContact CG-CE1 3.26Å; W70-Y167 HydrophobicContact CG-CE1 3.26Å; W70-Y167 HydrophobicContact CG-CE2 4.33Å; W70-Y167 HydrophobicContact CG-CG 4.48Å; W70-Y167 AromaticContact CG-CZ 3.58Å; W70-Y167 HydrophobicContact CZ2-CE1 4.42Å; W70-Y167 AromaticContact NE1-CE1 3.43Å; W70-Y167 AromaticContact NE1-CZ 3.66Å; W70-Y167 PolarHBondContact NE1-OH 3.02Å; I123-Y167 HydrophobicContact CD1-CD1 3.95Å; I123-Y167 HydrophobicContact CD1-CE1 4.31Å; I123-Y167 HydrophobicContact CG1-CD1 4.36Å; I123-Y167 HydrophobicContact CG1-CE1 4.42Å; I123-Y167 HydrophobicContact CG2-CD1 4.42Å; I123-Y167 HydrophobicContact CG2-CE1 3.71Å; E127-Y167 PolarHBondContact OE1-OH 3.25Å; I163-Y167 HydrophobicContact CD1-CE1 4.44Å; I163-Y167 HydrophobicContact CD1-CE2 4.27Å; I163-Y167 VanDerWaalsContact CD1-OH 3.27Å; I163-Y167 WeakPolarHBondContact CD1-OH 3.45Å; I163-Y167 HydrophobicContact CG1-CE1 4.05Å; I163-Y167 HydrophobicContact CG1-CE2 3.89Å; I163-Y167 HydrophobicContact CG2-CE2 4.44Å; I163-Y167 WeakPolarHBondContact O-CD2 3.42Å; I163-Y167 PolarHBondContact O-N 3.3Å; M165-Y167 PolarHBondContact O-N 3.39Å; Y167-E169 VanDerWaalsContact C-N 3.32Å; Y167-E169 PolarHBondContact O-N 3.33Å; Y167-L170 PolarHBondContact O-N 3Å; Y167-F171 WeakPolarHBondContact O-CD2 3.41Å; Y167-F171 PolarHBondContact O-N 3.38Å
168N87.6Confident86.9Confident63 Ų6372 Ų7234%0.33737%0.366SS..Hα-helixtrans-60.9-42.9178.3-67.9-28.4000111.9T66 N164 M165 L166 F171 Q172T66-N168 WeakPolarHBondContact CB-OD1 3.38Å; T66-N168 WeakPolarHBondContact CG2-OD1 3.27Å; T66-N168 PolarHBondContact OG1-OD1 3.14Å; N164-N168 VanDerWaalsContact O-CG 3.25Å; N164-N168 PolarHBondContact O-N 3.44Å; N164-N168 VanDerWaalsContact O-N 3.16Å; N164-N168 PolarHBondContact O-ND2 2.75Å; M165-N168 WeakPolarHBondContact O-CB 3.35Å; M165-N168 PolarHBondContact O-N 3.33Å; M165-N168 VanDerWaalsContact O-N 3.14Å; L166-N168 VanDerWaalsContact C-N 3.34Å; L166-N168 PolarHBondContact O-N 3.49Å; N168-F171 PolarHBondContact O-N 3.28Å; N168-Q172 WeakPolarHBondContact O-CG 3.43Å; N168-Q172 PolarHBondContact O-N 3.09Å
169E89.1Confident86.4Confident102 Ų10276.3 Ų76.348%0.47738%0.378SS..Hα-helixtrans-63.3-44.2177.8-169.7174.1-179.100111.6I119 M165 L166 Y167 F171 Q172 S173I119-E169 HydrophobicContact CD1-CG 3.87Å; I119-E169 HydrophobicContact CG1-CG 4.41Å; M165-E169 PolarHBondContact O-N 2.97Å; L166-E169 PolarHBondContact O-N 3.27Å; Y167-E169 VanDerWaalsContact C-N 3.32Å; Y167-E169 PolarHBondContact O-N 3.33Å; E169-F171 PolarHBondContact O-N 3.18Å; E169-Q172 PolarHBondContact O-N 2.97Å; E169-S173 WeakPolarHBondContact O-CB 3.45Å; E169-S173 PolarHBondContact O-N 3.07Å
170L89.9Confident86Confident0 Ų082.2 Ų82.20%040%0.4CS..Hα-helixtrans-58-48.2175.5-172.773.4000111.5W70 M79 L116 I119 I123 L166 Y167 Q172 S173 L174W70-L170 HydrophobicContact CE3-CD2 3.83Å; W70-L170 HydrophobicContact CH2-CD2 4.24Å; W70-L170 HydrophobicContact CZ3-CD2 3.34Å; M79-L170 HydrophobicContact CE-CD1 3.82Å; M79-L170 HydrophobicContact CE-CD2 3.6Å; M79-L170 HydrophobicContact CE-CG 3.74Å; M79-L170 HydrophobicContact SD-CD1 4.1Å; M79-L170 HydrophobicContact SD-CD2 4.28Å; L116-L170 HydrophobicContact CG-CD1 4.24Å; I119-L170 HydrophobicContact CB-CD1 4.23Å; I119-L170 HydrophobicContact CG2-CB 3.82Å; I119-L170 HydrophobicContact CG2-CD1 3.83Å; I119-L170 HydrophobicContact CG2-CG 4.42Å; I123-L170 HydrophobicContact CD1-CB 4.17Å; I123-L170 HydrophobicContact CD1-CD2 3.8Å; I123-L170 HydrophobicContact CD1-CG 4.42Å; L166-L170 WeakPolarHBondContact O-CB 3.36Å; L166-L170 PolarHBondContact O-N 3.3Å; Y167-L170 PolarHBondContact O-N 3Å; L170-Q172 VanDerWaalsContact C-N 3.31Å; L170-Q172 PolarHBondContact O-N 3.44Å; L170-S173 PolarHBondContact O-N 2.92Å; L170-S173 VanDerWaalsContact O-N 3.16Å; L170-L174 WeakPolarHBondContact O-CG 3.47Å; L170-L174 PolarHBondContact O-N 3.1Å
171F86.6Confident85.6Confident43 Ų4385.2 Ų85.219%0.18942%0.416CS..Hα-helixtrans-63.9-36.6178.8-76.5-65.1000112.6T66 L69 L75 Y167 N168 E169 S173 L174T66-F171 HydrophobicContact CG2-CD2 3.58Å; T66-F171 HydrophobicContact CG2-CE2 4.01Å; T66-F171 HydrophobicContact CG2-CG 4.46Å; T66-F171 WeakPolarHBondContact O-CE2 3.48Å; L69-F171 HydrophobicContact CB-CE1 3.95Å; L69-F171 HydrophobicContact CB-CE2 4Å; L69-F171 HydrophobicContact CB-CZ 3.37Å; L69-F171 HydrophobicContact CD1-CE1 4.42Å; L69-F171 HydrophobicContact CD1-CZ 4.36Å; L75-F171 HydrophobicContact CD2-CE1 3.51Å; L75-F171 HydrophobicContact CD2-CZ 3.42Å; L75-F171 VanDerWaalsContact CD2-CZ 3.42Å; Y167-F171 WeakPolarHBondContact O-CD2 3.41Å; Y167-F171 PolarHBondContact O-N 3.38Å; N168-F171 PolarHBondContact O-N 3.28Å; E169-F171 PolarHBondContact O-N 3.18Å; F171-S173 VanDerWaalsContact C-N 3.34Å; F171-L174 HydrophobicContact CD1-CD1 4.13Å
172Q84.8Confident85.2Confident134 Ų13487.9 Ų87.963%0.62643%0.425SS*.Hα-helixtrans-68.9-33.7174.3-72.6-179.720.400112.5N168 E169 L170N168-Q172 WeakPolarHBondContact O-CG 3.43Å; N168-Q172 PolarHBondContact O-N 3.09Å; E169-Q172 PolarHBondContact O-N 2.97Å; L170-Q172 VanDerWaalsContact C-N 3.31Å; L170-Q172 PolarHBondContact O-N 3.44Å
173S85.7Confident84.9Confident51 Ų5187.9 Ų87.936%0.35743%0.43SS..Hα-helixtrans-76.2-28.4177.5-172.30000112.9E169 L170 F171 V175E169-S173 WeakPolarHBondContact O-CB 3.45Å; E169-S173 PolarHBondContact O-N 3.07Å; L170-S173 PolarHBondContact O-N 2.92Å; L170-S173 VanDerWaalsContact O-N 3.16Å; F171-S173 VanDerWaalsContact C-N 3.34Å; S173-V175 VanDerWaalsContact C-N 3.35Å
174L85.6Confident84.8Confident43 Ų4390.5 Ų90.523%0.22544%0.444CS..Hα-helixtrans-68.2-34.4178.2-84.2173000113.1L75 Y78 M79 L116 L170 F171 P176L75-L174 HydrophobicContact CD1-CD1 4.02Å; Y78-L174 HydrophobicContact CD1-CD2 4.48Å; Y78-L174 HydrophobicContact CE1-CD2 3.81Å; M79-L174 HydrophobicContact CE-CD1 3.41Å; M79-L174 VanDerWaalsContact CE-CD1 3.41Å; M79-L174 HydrophobicContact CE-CD2 3.49Å; M79-L174 VanDerWaalsContact CE-CD2 3.49Å; M79-L174 HydrophobicContact CE-CG 3.65Å; L116-L174 HydrophobicContact CD1-CD2 3.73Å; L116-L174 HydrophobicContact CD1-CG 4.21Å; L170-L174 WeakPolarHBondContact O-CG 3.47Å; L170-L174 PolarHBondContact O-N 3.1Å; F171-L174 HydrophobicContact CD1-CD1 4.13Å; L174-P176 WeakPolarHBondContact O-CD 3.42Å
175V81.4Confident84.8Confident97 Ų9791.9 Ų91.959%0.58845%0.454SS*.SBendtrans-87.9112.1179.8-177.20000107.7S173 K177S173-V175 VanDerWaalsContact C-N 3.35Å; V175-K177 PolarHBondContact O-N 2.96Å
176P77.3Confident84.7Confident98 Ų9890.4 Ų90.464%0.63645%0.448SS*.PPolyproline II helixtrans-61.2131.7176.726.5-32.9000108.8L174 E178L174-P176 WeakPolarHBondContact O-CD 3.42Å; P176-E178 PolarHBondContact O-N 2.92Å
177K72Confident84.5Confident180 Ų18092.5 Ų92.578%0.78346%0.459SS*.PPolyproline II helixtrans-72120.5175-66.6-179.9-178.81720108.8V175V175-K177 PolarHBondContact O-N 2.96Å
178E80Confident84.5Confident131 Ų13198 Ų9861%0.61249%0.485SS*.PPolyproline II helixtrans-90.7154.5173.5-61-164.8171.700111.1P176 Y180 D181P176-E178 PolarHBondContact O-N 2.92Å; E178-Y180 PolarHBondContact O-N 3.33Å; E178-Y180 VanDerWaalsContact O-N 3.12Å; E178-D181 PolarHBondContact N-OD2 3.04Å; E178-D181 PolarHBondContact O-N 3.03Å
179K81Confident84.5Confident171 Ų17197 Ų9774%0.74348%0.481SS*.THydrogen-bonded Turntrans-57.6-29.5-179.6-177.3179.8173.9-170.10112.6
180Y81.3Confident84.4Confident149 Ų14996.7 Ų96.758%0.58449%0.486SS*.THydrogen-bonded Turntrans-105.22.4-170.4-51.5-59.9000113.7E178 K182 N183E178-Y180 PolarHBondContact O-N 3.33Å; E178-Y180 VanDerWaalsContact O-N 3.12Å; Y180-K182 PolarHBondContact O-N 3.49Å; Y180-K182 VanDerWaalsContact O-N 3.09Å; Y180-N183 WeakPolarHBondContact CD1-ND2 3.3Å; Y180-N183 WeakPolarHBondContact O-CB 3.41Å; Y180-N183 PolarHBondContact O-N 3.16Å
181D81.1Confident84.3Confident101 Ų10198.4 Ų98.454%0.5450%0.5SS..THydrogen-bonded Turntrans-58.3-27.3-178-76-17.6000113.9E178E178-D181 PolarHBondContact N-OD2 3.04Å; E178-D181 PolarHBondContact O-N 3.03Å
182K81Confident84Confident184 Ų18498.5 Ų98.580%0.851%0.513SS*.THydrogen-bonded Turntrans-94.5-4-179.4-62.9-175.6179.9-178.80113.5Y180Y180-K182 PolarHBondContact O-N 3.49Å; Y180-K182 VanDerWaalsContact O-N 3.09Å
183N86.6Confident83.4Confident92 Ų92103.1 Ų103.149%0.49253%0.525SS..SBendtrans-88.2147-174.1-70-4.2000110.9Y180Y180-N183 WeakPolarHBondContact CD1-ND2 3.3Å; Y180-N183 WeakPolarHBondContact O-CB 3.41Å; Y180-N183 PolarHBondContact O-N 3.16Å
184D88.2Confident82.7Confident58 Ų58105.4 Ų105.431%0.3154%0.537SS..  trans-62.9145169.4-55.9-3.1000110.2L9 F10 R11L9-D184 HydrophobicContact CD2-CB 3.76Å; L9-D184 VanDerWaalsContact CD2-OD2 3.32Å; L9-D184 WeakPolarHBondContact CD2-OD2 3.39Å; F10-D184 WeakPolarHBondContact O-CA 3.29Å; F10-D184 WeakPolarHBondContact O-CB 3.5Å; R11-D184 WeakPolarHBondContact CA-OD1 3.25Å; R11-D184 WeakPolarHBondContact CG-OD2 3.39Å
185V88.3Confident81.5Confident84 Ų84110.9 Ų110.951%0.50957%0.572SS.*  trans-108.7145.3-177.1179.20000110.9W8 F10W8-V185 CarbonylContact C-O 3.52Å; F10-V185 HydrophobicContact CD2-CB 4.05Å; F10-V185 WeakPolarHBondContact CD2-O 3.39Å; F10-V185 PolarHBondContact N-O 3.16Å
186I88.9Confident80.7Confident103 Ų103107.9 Ų107.953%0.52856%0.561SS.*  trans-102.5123.6166.9-68.2158.6000107.8V7 W8V7-I186 HydrophobicContact CB-CG2 4.2Å; V7-I186 HydrophobicContact CG1-CB 4.24Å; V7-I186 HydrophobicContact CG1-CD1 3.64Å; V7-I186 HydrophobicContact CG1-CG1 3.67Å; V7-I186 HydrophobicContact CG1-CG2 3.51Å; W8-I186 WeakPolarHBondContact O-CA 3.33Å; W8-I186 WeakPolarHBondContact O-CB 3.46Å; W8-I186 WeakPolarHBondContact O-CG1 3.35Å
187L87.8Confident80.5Confident52 Ų52104.7 Ų104.727%0.27255%0.546SS..  trans-109.892178.7-178.368.6000112.2W8 V189 Y211W8-L187 HydrophobicContact CG-CB 4.48Å; W8-L187 PolarHBondContact NE1-O 3.42Å; L187-V189 HydrophobicContact CD2-CG2 4.04Å; L187-V189 HydrophobicContact CG-CG2 3.91Å; L187-V189 PolarHBondContact O-N 3.33Å; L187-Y211 HydrophobicContact CD2-CD1 4.3Å; L187-Y211 HydrophobicContact CD2-CD2 3.74Å; L187-Y211 HydrophobicContact CD2-CE2 4.35Å; L187-Y211 HydrophobicContact CD2-CG 3.72Å
188E90Very high81Confident123 Ų123102.4 Ų102.458%0.57554%0.543SS*.  trans-75.2116.1174.1-168.9-173.3155.200111T190E188-T190 PolarHBondContact OE1-OG1 3.32Å
189V87.6Confident81.2Confident41 Ų41102.1 Ų102.125%0.24854%0.544CS..  trans-108.2103.2175.2-165.50000109.2L187 T204 I207L187-V189 HydrophobicContact CD2-CG2 4.04Å; L187-V189 HydrophobicContact CG-CG2 3.91Å; L187-V189 PolarHBondContact O-N 3.33Å; V189-T204 HydrophobicContact CB-CG2 4.37Å; V189-T204 HydrophobicContact CG1-CG2 3.65Å; V189-I207 HydrophobicContact CG1-CB 4.37Å; V189-I207 HydrophobicContact CG1-CG2 4Å
190T87.8Confident81.5Confident95 Ų9595.4 Ų95.458%0.58352%0.518SS*.  trans-113135.4-175.2-65.30000111.1E188E188-T190 PolarHBondContact OE1-OG1 3.32Å
191A86.9Confident81.8Confident37 Ų3794.2 Ų94.231%0.30652%0.518SS..  trans-71.513217400000110.9Q201 T204A191-Q201 HydrophobicContact CB-CG 4.32Å; A191-T204 VanDerWaalsContact CA-OG1 3.28Å; A191-T204 WeakPolarHBondContact CA-OG1 3.43Å; A191-T204 WeakPolarHBondContact CB-OG1 3.34Å
192G80.5Confident82.2Confident45 Ų4594.9 Ų94.946%0.46452%0.518SS..  trans-62.3154.8173.300000112.6
193R71.7Confident82.6Confident230 Ų23091.9 Ų91.987%0.86851%0.505SS*.  trans-98.326.1179.7-64.8-169.9-173.8179.45.2114.3
194T72.7Confident82.8Confident100 Ų10088.8 Ų88.861%0.61349%0.49SS*.SBendtrans-89.1161.7-179.244.30000112.2G196T194-G196 PolarHBondContact O-N 3.11Å
195T59.5Low82.9Confident157 Ų15794 Ų9496%0.96351%0.505SS*.SBendtrans-51.6122175.5-44.90000110.4
196G64.5Low83.1Confident34 Ų3494.7 Ų94.735%0.35150%0.503SS..  trans108.233.4-169.700000114.6T194 D198 I199 C200T194-G196 PolarHBondContact O-N 3.11Å; G196-D198 VanDerWaalsContact C-N 3.26Å; G196-D198 PolarHBondContact O-N 3.08Å; G196-D198 VanDerWaalsContact O-N 3.12Å; G196-I199 WeakPolarHBondContact O-CB 3.37Å; G196-I199 PolarHBondContact O-N 3.03Å; G196-C200 PolarHBondContact O-N 3.38Å; G196-C200 VanDerWaalsContact O-N 3.15Å
197G73.3Confident83.3Confident32 Ų3291.9 Ų91.933%0.3349%0.488SS..Hα-helixtrans-51.5-36.4-173.700000115.4I199 C200 Q201G197-I199 PolarHBondContact O-N 2.89Å; G197-C200 PolarHBondContact O-N 2.89Å; G197-Q201 WeakPolarHBondContact O-CG 3.39Å; G197-Q201 PolarHBondContact O-N 2.97Å
198D81.5Confident83.5Confident131 Ų13191.6 Ų91.670%0.70149%0.485SS*.Hα-helixtrans-66.9-36.7178.7-61.8-17.3000112.2G196 Q201 Q202G196-D198 VanDerWaalsContact C-N 3.26Å; G196-D198 PolarHBondContact O-N 3.08Å; G196-D198 VanDerWaalsContact O-N 3.12Å; D198-Q201 PolarHBondContact O-N 3.08Å; D198-Q202 PolarHBondContact O-N 2.91Å
199I85.8Confident83.6Confident126 Ų12688.7 Ų88.765%0.64647%0.473SS*.Hα-helixtrans-69.4-41.2175.7-59.1169.8000109.6G196 G197 Q201 Q202 F203G196-I199 WeakPolarHBondContact O-CB 3.37Å; G196-I199 PolarHBondContact O-N 3.03Å; G197-I199 PolarHBondContact O-N 2.89Å; I199-Q201 VanDerWaalsContact C-N 3.34Å; I199-Q201 PolarHBondContact O-N 2.75Å; I199-Q202 PolarHBondContact O-N 3.33Å; I199-F203 WeakPolarHBondContact O-CB 3.47Å; I199-F203 PolarHBondContact O-N 3.27Å
200C86.7Confident83.9Confident30 Ų3091.1 Ų91.120%0.20348%0.483CS..Hα-helixtrans-61.2-42.5175.5-65.60000111.6G196 G197 F203 T204G196-C200 PolarHBondContact O-N 3.38Å; G196-C200 VanDerWaalsContact O-N 3.15Å; G197-C200 PolarHBondContact O-N 2.89Å; C200-F203 PolarHBondContact O-N 3.24Å; C200-T204 WeakPolarHBondContact O-CB 3.33Å; C200-T204 PolarHBondContact O-N 2.94Å; C200-T204 PolarHBondContact O-OG1 3.09Å
201Q86.8Confident84.2Confident123 Ų12391.3 Ų91.358%0.57547%0.474SS*.Hα-helixtrans-64.5-42176-72.2175.319.700112.2A191 G197 D198 I199 F203 T204 R205A191-Q201 HydrophobicContact CB-CG 4.32Å; G197-Q201 WeakPolarHBondContact O-CG 3.39Å; G197-Q201 PolarHBondContact O-N 2.97Å; D198-Q201 PolarHBondContact O-N 3.08Å; I199-Q201 VanDerWaalsContact C-N 3.34Å; I199-Q201 PolarHBondContact O-N 2.75Å; Q201-F203 VanDerWaalsContact C-N 3.35Å; Q201-T204 PolarHBondContact O-N 3.47Å; Q201-R205 PolarHBondContact O-N 3.36Å
202Q89.3Confident84.3Confident115 Ų11592.9 Ų92.954%0.53748%0.475SS..Hα-helixtrans-61.6-45.2175.5-176.3178.5-23.800111D198 I199 R205 E206D198-Q202 PolarHBondContact O-N 2.91Å; I199-Q202 PolarHBondContact O-N 3.33Å; Q202-R205 WeakPolarHBondContact O-CB 3.41Å; Q202-R205 PolarHBondContact O-N 3.49Å; Q202-E206 PolarHBondContact NE2-OE1 3.26Å; Q202-E206 WeakPolarHBondContact O-CG 3.39Å; Q202-E206 PolarHBondContact O-N 2.94Å
203F89.2Confident84.9Confident122 Ų12295.8 Ų95.854%0.53548%0.48SS..Hα-helixtrans-64.4-42.6178.4-176.6-105.2000112.6I199 C200 Q201 R205 E206 I207I199-F203 WeakPolarHBondContact O-CB 3.47Å; I199-F203 PolarHBondContact O-N 3.27Å; C200-F203 PolarHBondContact O-N 3.24Å; Q201-F203 VanDerWaalsContact C-N 3.35Å; F203-R205 PolarHBondContact O-N 2.95Å; F203-E206 PolarHBondContact O-N 3.4Å; F203-E206 VanDerWaalsContact O-N 3.1Å; F203-I207 HydrophobicContact CD1-CG1 4.13Å; F203-I207 HydrophobicContact CE1-CD1 4.16Å; F203-I207 HydrophobicContact CE1-CG1 3.67Å; F203-I207 HydrophobicContact CE2-CD1 4.18Å; F203-I207 HydrophobicContact CE2-CG1 4.17Å; F203-I207 HydrophobicContact CZ-CD1 3.72Å; F203-I207 HydrophobicContact CZ-CG1 3.7Å; F203-I207 WeakPolarHBondContact O-CG1 3.45Å; F203-I207 PolarHBondContact O-N 3.17Å
204T91.1Very high85.8Confident27 Ų2789.7 Ų89.717%0.16646%0.457CS..Hα-helixtrans-55.1-42.2173.1-63.40000111V189 A191 C200 Q201 F208V189-T204 HydrophobicContact CB-CG2 4.37Å; V189-T204 HydrophobicContact CG1-CG2 3.65Å; A191-T204 VanDerWaalsContact CA-OG1 3.28Å; A191-T204 WeakPolarHBondContact CA-OG1 3.43Å; A191-T204 WeakPolarHBondContact CB-OG1 3.34Å; C200-T204 WeakPolarHBondContact O-CB 3.33Å; C200-T204 PolarHBondContact O-N 2.94Å; C200-T204 PolarHBondContact O-OG1 3.09Å; Q201-T204 PolarHBondContact O-N 3.47Å; T204-F208 WeakPolarHBondContact O-CB 3.48Å; T204-F208 PolarHBondContact O-N 3.34Å
205R90.2Very high86.8Confident166 Ų16684.9 Ų84.963%0.62643%0.428SS*.Hα-helixtrans-66.2-41.1175.8-177.5179.8-178.1163.78.6112.7Q201 Q202 F203 F208 D209Q201-R205 PolarHBondContact O-N 3.36Å; Q202-R205 WeakPolarHBondContact O-CB 3.41Å; Q202-R205 PolarHBondContact O-N 3.49Å; F203-R205 PolarHBondContact O-N 2.95Å; R205-F208 WeakPolarHBondContact O-CB 3.29Å; R205-F208 PolarHBondContact O-N 2.71Å; R205-D209 PolarHBondContact O-N 3.03Å
206E93.6Very high88.1Confident100 Ų10081.2 Ų81.247%0.46741%0.408SS..Hα-helixtrans-64.4-41.4178-71.8172.2-169.300111.8Q202 F203 F208 D209 M210Q202-E206 PolarHBondContact NE2-OE1 3.26Å; Q202-E206 WeakPolarHBondContact O-CG 3.39Å; Q202-E206 PolarHBondContact O-N 2.94Å; F203-E206 PolarHBondContact O-N 3.4Å; F203-E206 VanDerWaalsContact O-N 3.1Å; E206-F208 VanDerWaalsContact C-N 3.34Å; E206-D209 PolarHBondContact O-N 3.23Å; E206-M210 WeakPolarHBondContact O-CB 3.42Å; E206-M210 PolarHBondContact O-N 3.09Å
207I93.8Very high89.2Confident44 Ų4485.3 Ų85.323%0.22641%0.414CS..Hα-helixtrans-63.4-42.4173.9-68.1-63.1000111.1V189 F203 M210 Y211V189-I207 HydrophobicContact CG1-CB 4.37Å; V189-I207 HydrophobicContact CG1-CG2 4Å; F203-I207 HydrophobicContact CD1-CG1 4.13Å; F203-I207 HydrophobicContact CE1-CD1 4.16Å; F203-I207 HydrophobicContact CE1-CG1 3.67Å; F203-I207 HydrophobicContact CE2-CD1 4.18Å; F203-I207 HydrophobicContact CE2-CG1 4.17Å; F203-I207 HydrophobicContact CZ-CD1 3.72Å; F203-I207 HydrophobicContact CZ-CG1 3.7Å; F203-I207 WeakPolarHBondContact O-CG1 3.45Å; F203-I207 PolarHBondContact O-N 3.17Å; I207-M210 HydrophobicContact CD1-CE 4.21Å; I207-M210 WeakPolarHBondContact O-CB 3.39Å; I207-M210 PolarHBondContact O-N 3.43Å; I207-Y211 HydrophobicContact CG2-CD2 3.7Å; I207-Y211 HydrophobicContact CG2-CE2 3.72Å; I207-Y211 VanDerWaalsContact O-CD2 3.28Å; I207-Y211 WeakPolarHBondContact O-CD2 3.49Å; I207-Y211 PolarHBondContact O-N 2.95Å
208F90.8Very high89.8Confident46 Ų4687.1 Ų87.120%0.20241%0.412CS..Hα-helixtrans-57.4-53.7174.7176.3-97.8000111.8W8 T204 R205 E206 M210 Y211 Q212 F222 L224W8-F208 HydrophobicContact CH2-CD2 4.12Å; W8-F208 AromaticContact CH2-CE2 3.07Å; W8-F208 HydrophobicContact CH2-CE2 3.07Å; W8-F208 AromaticContact CH2-CZ 3.61Å; W8-F208 HydrophobicContact CH2-CZ 3.61Å; W8-F208 HydrophobicContact CZ2-CD2 4.11Å; W8-F208 AromaticContact CZ2-CE2 3.47Å; W8-F208 HydrophobicContact CZ2-CE2 3.47Å; W8-F208 VanDerWaalsContact CZ2-CE2 3.47Å; W8-F208 HydrophobicContact CZ2-CZ 4.38Å; W8-F208 AromaticContact CZ3-CE2 3.68Å; W8-F208 HydrophobicContact CZ3-CE2 3.68Å; W8-F208 HydrophobicContact CZ3-CZ 4.08Å; T204-F208 WeakPolarHBondContact O-CB 3.48Å; T204-F208 PolarHBondContact O-N 3.34Å; R205-F208 WeakPolarHBondContact O-CB 3.29Å; R205-F208 PolarHBondContact O-N 2.71Å; E206-F208 VanDerWaalsContact C-N 3.34Å; F208-M210 VanDerWaalsContact C-N 3.26Å; F208-M210 PolarHBondContact O-N 2.96Å; F208-Y211 PolarHBondContact O-N 3.32Å; F208-Q212 WeakPolarHBondContact O-CB 3.49Å; F208-Q212 PolarHBondContact O-N 3.28Å; F208-F222 HydrophobicContact CE2-CE1 4.17Å; F208-F222 AromaticContact CE2-CZ 3.58Å; F208-F222 HydrophobicContact CE2-CZ 3.58Å; F208-F222 AromaticContact CZ-CE1 3.89Å; F208-F222 HydrophobicContact CZ-CE1 3.89Å; F208-F222 AromaticContact CZ-CZ 3.74Å; F208-F222 HydrophobicContact CZ-CZ 3.74Å; F208-L224 HydrophobicContact CZ-CD1 4.35Å
209D92.3Very high90.1Very high61 Ų6188.4 Ų88.433%0.32641%0.414SS..Hα-helixtrans-61.3-36.9179.7-70.1-17.6000110.9R205 E206 N213R205-D209 PolarHBondContact O-N 3.03Å; E206-D209 PolarHBondContact O-N 3.23Å; D209-N213 WeakPolarHBondContact O-CB 3.48Å; D209-N213 VanDerWaalsContact O-CG 3.23Å; D209-N213 PolarHBondContact O-N 3.29Å; D209-N213 PolarHBondContact O-ND2 3.28Å
210M94.7Very high90.3Very high93 Ų9387.6 Ų87.646%0.45840%0.403SS..Hα-helixtrans-61.8-51.7176.3-177.4-166.370.500111.8E206 I207 F208 N213 Y214E206-M210 WeakPolarHBondContact O-CB 3.42Å; E206-M210 PolarHBondContact O-N 3.09Å; I207-M210 HydrophobicContact CD1-CE 4.21Å; I207-M210 WeakPolarHBondContact O-CB 3.39Å; I207-M210 PolarHBondContact O-N 3.43Å; F208-M210 VanDerWaalsContact C-N 3.26Å; F208-M210 PolarHBondContact O-N 2.96Å; M210-N213 PolarHBondContact O-N 3.24Å; M210-Y214 WeakPolarHBondContact O-CB 3.3Å; M210-Y214 PolarHBondContact O-N 2.82Å
211Y93.7Very high90.3Very high98 Ų9891.7 Ų91.738%0.38442%0.419SS..Hα-helixtrans-70.2-33.5-179-79.7-69.4000112.5L187 I207 F208 Y214 S215L187-Y211 HydrophobicContact CD2-CD1 4.3Å; L187-Y211 HydrophobicContact CD2-CD2 3.74Å; L187-Y211 HydrophobicContact CD2-CE2 4.35Å; L187-Y211 HydrophobicContact CD2-CG 3.72Å; I207-Y211 HydrophobicContact CG2-CD2 3.7Å; I207-Y211 HydrophobicContact CG2-CE2 3.72Å; I207-Y211 VanDerWaalsContact O-CD2 3.28Å; I207-Y211 WeakPolarHBondContact O-CD2 3.49Å; I207-Y211 PolarHBondContact O-N 2.95Å; F208-Y211 PolarHBondContact O-N 3.32Å; Y211-Y214 PolarHBondContact O-N 2.97Å; Y211-S215 PolarHBondContact O-N 3.43Å
212Q89.6Confident90.3Very high70 Ų7088.3 Ų88.333%0.32740%0.402SS..Hα-helixtrans-59.5-51.1171.3-176178.514.300110.5F208 Y214 S215 C216 F222F208-Q212 WeakPolarHBondContact O-CB 3.49Å; F208-Q212 PolarHBondContact O-N 3.28Å; Q212-Y214 VanDerWaalsContact C-N 3.29Å; Q212-Y214 PolarHBondContact O-N 3.48Å; Q212-S215 PolarHBondContact O-N 3.06Å; Q212-S215 PolarHBondContact O-OG 3.4Å; Q212-C216 PolarHBondContact O-N 2.99Å; Q212-C216 VanDerWaalsContact O-N 3.16Å; Q212-C216 PolarHBondContact O-SG 2.91Å; Q212-F222 HydrophobicContact CB-CE1 4.13Å; Q212-F222 HydrophobicContact CB-CE2 4.23Å; Q212-F222 HydrophobicContact CB-CZ 3.87Å; Q212-F222 HydrophobicContact CG-CD1 4.02Å; Q212-F222 HydrophobicContact CG-CE1 3.77Å; Q212-F222 HydrophobicContact CG-CG 4.47Å; Q212-F222 HydrophobicContact CG-CZ 4.04Å
213N92.1Very high90.3Very high106 Ų10688 Ų8857%0.56740%0.401SS*.Hα-helixtrans-63.3-36.3177.7-71.5-43.7000112.3D209 M210 C216 Y217D209-N213 WeakPolarHBondContact O-CB 3.48Å; D209-N213 VanDerWaalsContact O-CG 3.23Å; D209-N213 PolarHBondContact O-N 3.29Å; D209-N213 PolarHBondContact O-ND2 3.28Å; M210-N213 PolarHBondContact O-N 3.24Å; N213-C216 PolarHBondContact O-N 3.29Å; N213-Y217 WeakPolarHBondContact O-CB 3.47Å; N213-Y217 PolarHBondContact O-N 2.92Å
214Y91.6Very high90.1Very high102 Ų10286.4 Ų86.440%0.440%0.397SS..Hα-helixtrans-64.8-39.4175.9-175.1-103.8000112.3M210 Y211 Q212 C216 Y217 K218 W220M210-Y214 WeakPolarHBondContact O-CB 3.3Å; M210-Y214 PolarHBondContact O-N 2.82Å; Y211-Y214 PolarHBondContact O-N 2.97Å; Q212-Y214 VanDerWaalsContact C-N 3.29Å; Q212-Y214 PolarHBondContact O-N 3.48Å; Y214-C216 VanDerWaalsContact C-N 3.34Å; Y214-C216 PolarHBondContact O-N 3.44Å; Y214-Y217 HydrophobicContact CD2-CD1 4.25Å; Y214-Y217 HydrophobicContact CE2-CD1 4.24Å; Y214-Y217 WeakPolarHBondContact O-CB 3.47Å; Y214-Y217 PolarHBondContact O-N 3.46Å; Y214-K218 HydrophobicContact CD1-CG 4.24Å; Y214-K218 HydrophobicContact CE1-CG 3.77Å; Y214-K218 HydrophobicContact CE2-CG 4.08Å; Y214-K218 PolarHBondContact O-N 3.29Å; Y214-K218 WeakPolarHBondContact OH-CE 3.29Å; Y214-W220 HydrophobicContact CD1-CZ3 4.36Å; Y214-W220 HydrophobicContact CE1-CH2 4.15Å; Y214-W220 HydrophobicContact CE1-CZ3 4.01Å
215S92.1Very high89.7Confident0 Ų087.3 Ų87.30%040%0.401CS..Hα-helixtrans-61.2-43.5174.576.20000111.6Y211 Q212 Y217 K218 H219 W220 F222Y211-S215 PolarHBondContact O-N 3.43Å; Q212-S215 PolarHBondContact O-N 3.06Å; Q212-S215 PolarHBondContact O-OG 3.4Å; S215-Y217 PolarHBondContact O-N 3.37Å; S215-K218 CarbonylContact O-C 3.46Å; S215-K218 PolarHBondContact O-N 2.89Å; S215-H219 PolarHBondContact O-N 2.92Å; S215-W220 PolarHBondContact O-N 2.98Å; S215-F222 WeakPolarHBondContact OG-CB 3.4Å
216C87.2Confident88.4Confident79 Ų7987 Ų8753%0.53441%0.412SS..Hα-helixtrans-63.5-42.2174.9-61.40000111.6Q212 N213 Y214 K218 H219Q212-C216 PolarHBondContact O-N 2.99Å; Q212-C216 VanDerWaalsContact O-N 3.16Å; Q212-C216 PolarHBondContact O-SG 2.91Å; N213-C216 PolarHBondContact O-N 3.29Å; Y214-C216 VanDerWaalsContact C-N 3.34Å; Y214-C216 PolarHBondContact O-N 3.44Å; C216-K218 VanDerWaalsContact C-N 3.31Å; C216-K218 PolarHBondContact O-N 3.39Å; C216-H219 PolarHBondContact O-N 2.93Å; C216-H219 VanDerWaalsContact O-N 3.09Å
217Y88.1Confident88.2Confident121 Ų12186.4 Ų86.448%0.47541%0.409SS..Hα-helixtrans-59.6-41.2175.4172.2-106.5000112.3N213 Y214 S215 H219N213-Y217 WeakPolarHBondContact O-CB 3.47Å; N213-Y217 PolarHBondContact O-N 2.92Å; Y214-Y217 HydrophobicContact CD2-CD1 4.25Å; Y214-Y217 HydrophobicContact CE2-CD1 4.24Å; Y214-Y217 WeakPolarHBondContact O-CB 3.47Å; Y214-Y217 PolarHBondContact O-N 3.46Å; S215-Y217 PolarHBondContact O-N 3.37Å; Y217-H219 VanDerWaalsContact C-N 3.28Å; Y217-H219 PolarHBondContact O-N 3.03Å; Y217-H219 PolarHBondContact O-ND1 3.09Å; Y217-H219 VanDerWaalsContact O-ND1 3.14Å
218K85.4Confident87.9Confident70 Ų7088.6 Ų88.630%0.30442%0.419SS..THydrogen-bonded Turntrans-83.42176.4-67.1-59.3-169.1175.10114.2Y214 S215 C216 W220Y214-K218 HydrophobicContact CD1-CG 4.24Å; Y214-K218 HydrophobicContact CE1-CG 3.77Å; Y214-K218 HydrophobicContact CE2-CG 4.08Å; Y214-K218 PolarHBondContact O-N 3.29Å; Y214-K218 WeakPolarHBondContact OH-CE 3.29Å; S215-K218 CarbonylContact O-C 3.46Å; S215-K218 PolarHBondContact O-N 2.89Å; C216-K218 VanDerWaalsContact C-N 3.31Å; C216-K218 PolarHBondContact O-N 3.39Å; K218-W220 HydrophobicContact CB-CD2 3.78Å; K218-W220 HydrophobicContact CB-CE3 4.36Å; K218-W220 HydrophobicContact CB-CG 3.98Å; K218-W220 HydrophobicContact CB-CZ2 4.2Å; K218-W220 HydrophobicContact CG-CZ2 4.34Å; K218-W220 VanDerWaalsContact O-CD1 3.3Å; K218-W220 PolarHBondContact O-N 3.48Å
219H88.4Confident87.7Confident157 Ų15791 Ų9173%0.72743%0.431SS*.THydrogen-bonded Turntrans57.432-177-55.768.3000113.2S215 C216 Y217S215-H219 PolarHBondContact O-N 2.92Å; C216-H219 PolarHBondContact O-N 2.93Å; C216-H219 VanDerWaalsContact O-N 3.09Å; Y217-H219 VanDerWaalsContact C-N 3.28Å; Y217-H219 PolarHBondContact O-N 3.03Å; Y217-H219 PolarHBondContact O-ND1 3.09Å; Y217-H219 VanDerWaalsContact O-ND1 3.14Å
220W89.4Confident87.4Confident110 Ų11092.8 Ų92.842%0.41744%0.437SS..  trans-84.3147.7174.9-63.6-14000110.7F10 Y214 S215 K218F10-W220 HydrophobicContact CD1-CB 4.08Å; F10-W220 HydrophobicContact CD1-CE3 4.06Å; F10-W220 HydrophobicContact CE1-CE3 4.18Å; Y214-W220 HydrophobicContact CD1-CZ3 4.36Å; Y214-W220 HydrophobicContact CE1-CH2 4.15Å; Y214-W220 HydrophobicContact CE1-CZ3 4.01Å; S215-W220 PolarHBondContact O-N 2.98Å; K218-W220 HydrophobicContact CB-CD2 3.78Å; K218-W220 HydrophobicContact CB-CE3 4.36Å; K218-W220 HydrophobicContact CB-CG 3.98Å; K218-W220 HydrophobicContact CB-CZ2 4.2Å; K218-W220 HydrophobicContact CG-CZ2 4.34Å; K218-W220 VanDerWaalsContact O-CD1 3.3Å; K218-W220 PolarHBondContact O-N 3.48Å
221Q87.3Confident87Confident116 Ų11692.8 Ų92.854%0.54244%0.436SS..  trans-71.7131.4170-67.1-171.1-22.100109F10 R11F10-Q221 WeakPolarHBondContact CD1-O 3.34Å; R11-Q221 HydrophobicContact CB-CB 4.36Å
222F86.5Confident86.6Confident51 Ų5192.4 Ų92.422%0.22444%0.439CS..  trans-123113.5-179.9-175.1-91.8000108.8W8 F10 F208 Q212 S215W8-F222 HydrophobicContact CD2-CZ 4.49Å; W8-F222 HydrophobicContact CE3-CD1 4.49Å; W8-F222 HydrophobicContact CE3-CD2 4.45Å; W8-F222 AromaticContact CE3-CE1 3.87Å; W8-F222 HydrophobicContact CE3-CE1 3.87Å; W8-F222 AromaticContact CE3-CE2 3.8Å; W8-F222 HydrophobicContact CE3-CE2 3.8Å; W8-F222 AromaticContact CE3-CZ 3.49Å; W8-F222 HydrophobicContact CE3-CZ 3.49Å; W8-F222 VanDerWaalsContact CE3-CZ 3.49Å; W8-F222 HydrophobicContact CH2-CE1 4.23Å; W8-F222 HydrophobicContact CH2-CZ 4.02Å; W8-F222 HydrophobicContact CZ3-CD1 4.19Å; W8-F222 AromaticContact CZ3-CE1 3.3Å; W8-F222 HydrophobicContact CZ3-CE1 3.3Å; W8-F222 HydrophobicContact CZ3-CE2 4.01Å; W8-F222 AromaticContact CZ3-CZ 3.2Å; W8-F222 HydrophobicContact CZ3-CZ 3.2Å; F10-F222 AromaticContact CE1-CD2 3.83Å; F10-F222 HydrophobicContact CE1-CD2 3.83Å; F10-F222 AromaticContact CZ-CD2 3.84Å; F10-F222 HydrophobicContact CZ-CD2 3.84Å; F10-F222 HydrophobicContact CZ-CE2 4.16Å; F208-F222 HydrophobicContact CE2-CE1 4.17Å; F208-F222 AromaticContact CE2-CZ 3.58Å; F208-F222 HydrophobicContact CE2-CZ 3.58Å; F208-F222 AromaticContact CZ-CE1 3.89Å; F208-F222 HydrophobicContact CZ-CE1 3.89Å; F208-F222 AromaticContact CZ-CZ 3.74Å; F208-F222 HydrophobicContact CZ-CZ 3.74Å; Q212-F222 HydrophobicContact CB-CE1 4.13Å; Q212-F222 HydrophobicContact CB-CE2 4.23Å; Q212-F222 HydrophobicContact CB-CZ 3.87Å; Q212-F222 HydrophobicContact CG-CD1 4.02Å; Q212-F222 HydrophobicContact CG-CE1 3.77Å; Q212-F222 HydrophobicContact CG-CG 4.47Å; Q212-F222 HydrophobicContact CG-CZ 4.04Å; S215-F222 WeakPolarHBondContact OG-CB 3.4Å
223E89.2Confident86.3Confident108 Ų10894 Ų9451%0.50545%0.447SS..EExtended strand (participates in β ladder)trans-120.5129.7-179.1-174.7176.3-174.100110.2L225E223-L225 HydrophobicContact CG-CD2 4.12Å
224L86.3Confident85.9Confident89 Ų8993.1 Ų93.147%0.46644%0.438SS..EExtended strand (participates in β ladder)trans-88.5110.2177.5-169.8150.9000109.2W8 F208 N226W8-L224 HydrophobicContact CH2-CB 3.81Å; W8-L224 HydrophobicContact CH2-CD1 3.64Å; W8-L224 HydrophobicContact CH2-CG 3.38Å; W8-L224 HydrophobicContact CZ2-CG 4.33Å; W8-L224 HydrophobicContact CZ3-CB 3.58Å; W8-L224 HydrophobicContact CZ3-CD1 4.15Å; W8-L224 HydrophobicContact CZ3-CG 3.75Å; F208-L224 HydrophobicContact CZ-CD1 4.35Å; L224-N226 HydrophobicContact CD2-CB 4.28Å; L224-N226 VanDerWaalsContact CD2-ND2 3.34Å; L224-N226 WeakPolarHBondContact CD2-ND2 3.43Å; L224-N226 WeakPolarHBondContact CD2-OD1 3.45Å
225L81.9Confident85.4Confident46 Ų4692.3 Ų92.324%0.24144%0.441CS..  trans-91.6133.5170.5-42.9171.1000107.9C6 V7 L9 E223C6-L225 WeakPolarHBondContact CA-O 3.28Å; C6-L225 VanDerWaalsContact CB-O 3.26Å; C6-L225 WeakPolarHBondContact CB-O 3.35Å; V7-L225 VanDerWaalsContact C-CD1 3.44Å; V7-L225 HydrophobicContact CB-CB 4.04Å; V7-L225 HydrophobicContact CB-CD1 3.78Å; V7-L225 HydrophobicContact CB-CG 4.45Å; V7-L225 HydrophobicContact CG1-CD1 3.69Å; V7-L225 PolarHBondContact N-O 3.24Å; V7-L225 WeakPolarHBondContact O-CA 3.18Å; V7-L225 WeakPolarHBondContact O-CB 3.47Å; V7-L225 WeakPolarHBondContact O-CD1 3.28Å; V7-L225 WeakPolarHBondContact O-CG 3.49Å; V7-L225 PolarHBondContact O-N 3.12Å; V7-L225 VanDerWaalsContact O-N 3.1Å; L9-L225 HydrophobicContact CD1-CD1 4.32Å; E223-L225 HydrophobicContact CG-CD2 4.12Å
226N63.3Low84.8Confident161 Ų161100.7 Ų100.786%0.86148%0.481SS*.  trans-121.70-178.7-93.5-16.6000111C6 L224C6-N226 PolarHBondContact SG-OD1 3.15Å; L224-N226 HydrophobicContact CD2-CB 4.28Å; L224-N226 VanDerWaalsContact CD2-ND2 3.34Å; L224-N226 WeakPolarHBondContact CD2-ND2 3.43Å; L224-N226 WeakPolarHBondContact CD2-OD1 3.45Å

Retrieved 226 of 226 residues in 68.8 ms (Link to these results)