A0A060D2L3_MAIZE Loading...

G2-like transcription factor

AlphaFold DB (K7VBX7), UniProt , Accession A0A060D2L3, Species MAIZE (Zea mays, Maize), Gene GLK34, Length 343 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
1M59Low56.2Low238 Ų238158.2 Ų158.2100%1.17288%0.881SS**  096.20-79.1168.9152.500108.8
2F62.1Low55.6Low208 Ų208151.8 Ų151.891%0.91288%0.878SS**  trans-143.7135.2160.1-81.4-76.3000105.4
3P65.8Low55.4Low121 Ų121147.8 Ų147.879%0.78687%0.874SS**  trans-84.9132.9-162.631.8-31.7000112.5
4S48Very low55.2Low126 Ų126144.2 Ų144.288%0.88187%0.869SS**  trans-75.2126.2159.3-78.60000109.7
5S67.5Low55.7Low125 Ų125144.5 Ų144.587%0.87486%0.864SS**  trans-119.7151.2163.9-83.20000111
6K60.1Low55.5Low179 Ų179142.2 Ų142.278%0.77885%0.854SS**  trans-126147.1-140.6174.8-180-173.9173.10109
7K50.5Low55.4Low179 Ų179142.1 Ų142.178%0.77885%0.848SS**  trans63.7130.4157.7-83.1-179.7174.7-165.60118.2
8Q52.9Low55.4Low190 Ų190141.8 Ų141.889%0.88884%0.841SS**  -167.3126.398.6-98.3173.31.700110.5
9A44.9Very low55.6Low108 Ų108146.9 Ų146.989%0.89385%0.845SS**  trans-92.1129.9164.700000107.4
10S56.7Low55.3Low116 Ų116145.3 Ų145.381%0.81184%0.839SS**  trans-136.4127166.153.90000109.4
11T51.1Low55.3Low150 Ų150147.1 Ų147.192%0.9284%0.842SS**  trans-67134.1177.540.40000111.6
12G49.1Very low54.5Low82 Ų82142.1 Ų142.185%0.84583%0.829SS**  trans-136.5128.1169.600000109.7
13A52.2Low53.6Low100 Ų100135 Ų13583%0.82681%0.814SS**  trans-89.7161.9-157.700000115.8
14A53.3Low52.7Low97 Ų97138.8 Ų138.880%0.80282%0.822SS**  trans65.8112.1142.800000120.2
15N62.5Low52.1Low149 Ų149136.8 Ų136.880%0.79782%0.821SS**  -170.7112.7114.2-166.3-2.5000111.1
16P52.2Low51Low107 Ų107134 Ų13470%0.69581%0.812SS**  trans-114110.1164.833-17.6000109.4
17N54.4Low50.4Low140 Ų140132.3 Ų132.375%0.74981%0.811SS**  trans-174.2138.2155.3-99.5-26.7000113.7
18D55Low50.5Low137 Ų137129.3 Ų129.373%0.73381%0.813SS**  trans76.195.1150.5-54.1-42.8000121.5
19R59.9Low50.5Low240 Ų240123.6 Ų123.691%0.90681%0.805SS**  174.2121.7110-100.7173.9162-169.1-4.9113.3
20P48Very low50.5Low114 Ų114122.1 Ų122.174%0.7480%0.8SS**  trans-95.5129.8157.733.7-23.6000109.6
21M55.8Low50.6Low183 Ų183124 Ų12490%0.90180%0.8SS**  trans-145.6116.7158.3-94.5-58.3148.700110.7
22C42.4Very low50.9Low133 Ų133122.4 Ų122.490%0.89979%0.79SS**  trans-68.1143.4171.9-178.30000110.6
23G43.3Very low51.1Low58 Ų58125.4 Ų125.460%0.59879%0.786SS**  trans171.5104.2166.800000114.6
24Q47.5Very low51.3Low201 Ų201125.1 Ų125.194%0.93977%0.774SS**  trans64.6120.1144.3-60.4168.510.800116.4
25G35.6Very low51.2Low85 Ų85127.2 Ų127.288%0.87678%0.777SS**  cis109.911647.200000108.3
26G43.7Very low50.6Low65 Ų65124.5 Ų124.567%0.6776%0.763SS**  trans122.181.3177.100000112.3
27D47.8Very low50.9Low145 Ų145126 Ų12678%0.77577%0.773SS**  74.9126.785.996.4-90.2000115.1
28S51.6Low51.3Low115 Ų115127.4 Ų127.480%0.80477%0.772SS**  trans71.688.6149.5-44.90000119.5
29G53Low52.2Low71 Ų71126.4 Ų126.473%0.73277%0.773SS**  trans-175.446.116600000114.8L31G29-L31 PolarHBondContact O-N 2.93Å
30G46.3Very low53.3Low76 Ų76124.9 Ų124.978%0.78477%0.767SS**  trans-55.5109.2-179.300000112.8V32G30-V32 PolarHBondContact O-N 3.41Å
31L58.6Low55.2Low155 Ų155122 Ų12281%0.81275%0.745SS**  trans-67.595.8170.3-68.7170.3000109.1G29 L33G29-L31 PolarHBondContact O-N 2.93Å; L31-L33 PolarHBondContact O-N 3.43Å
32V56.3Low56.9Low117 Ų117121.2 Ų121.271%0.70973%0.732SS**  trans-70.697.8165.7172.80000108.1G30 T34G30-V32 PolarHBondContact O-N 3.41Å; V32-T34 PolarHBondContact O-N 3.04Å; V32-T34 VanDerWaalsContact O-N 3.13Å
33L53.5Low59.3Low145 Ų145118.5 Ų118.576%0.75970%0.703SS**  trans-76.189.5171.2-59.5176.6000108.7L31 T35L31-L33 PolarHBondContact O-N 3.43Å; L33-T35 PolarHBondContact O-N 3.26Å
34T55.7Low61.7Low94 Ų94118.6 Ų118.658%0.57769%0.692SS**  trans-63.9126.2161.3-94.30000108V32 D36V32-T34 PolarHBondContact O-N 3.04Å; V32-T34 VanDerWaalsContact O-N 3.13Å; T34-D36 PolarHBondContact O-N 3.25Å
35T52.6Low63.9Low142 Ų142113.9 Ų113.987%0.87168%0.679SS**SBendtrans-58.892.4178.547.30000112.1L33L33-T35 PolarHBondContact O-N 3.26Å
36D49.8Very low66.6Low91 Ų91115.7 Ų115.749%0.48767%0.665SS.*  trans-146.8130168.4-146.7-61.8000108.1T34 K38T34-D36 PolarHBondContact O-N 3.25Å; D36-K38 CarbonylContact O-C 3.57Å; D36-K38 PolarHBondContact O-N 3.2Å
37P58.4Low69.1Low139 Ų139114.2 Ų114.290%0.90364%0.641SS**SBendtrans-66.310-17223.6-32.8000115.8
38K61.6Low71.4Confident170 Ų170110.4 Ų110.474%0.73962%0.618SS**SBendtrans-143.4109.6159.7-161102.1172.8-177.30107.3D36 R40D36-K38 CarbonylContact O-C 3.57Å; D36-K38 PolarHBondContact O-N 3.2Å; K38-R40 PolarHBondContact O-N 3.2Å
39P75Confident73.5Confident116 Ų116109.8 Ų109.875%0.75361%0.606SS**  trans-59.5105.4-177.422.6-32.2000109.7
40R82.4Confident75.5Confident207 Ų207112.6 Ų112.678%0.78160%0.595SS**PPolyproline II helixtrans-72.8130.3176.8-65.317768.1179.41.7107.8K38 R42K38-R40 PolarHBondContact O-N 3.2Å; R40-R42 PolarHBondContact O-N 3.4Å
41L89.2Confident77.9Confident53 Ų53109 Ų10928%0.27756%0.558SS.*PPolyproline II helixtrans-63.2124.1177.3-176.3138.1000110.2W43 L78 H82L41-W43 HydrophobicContact CD2-CD2 4.13Å; L41-W43 HydrophobicContact CD2-CG 4.22Å; L41-W43 HydrophobicContact CD2-CZ2 4.42Å; L41-L78 HydrophobicContact CD1-CD1 3.52Å; L41-L78 HydrophobicContact CD2-CD1 4.37Å; L41-H82 WeakPolarHBondContact CD1-ND1 3.45Å; L41-H82 HydrophobicContact CD2-CB 4.39Å
42R90.1Very high79.7Confident168 Ų168103.9 Ų103.963%0.63453%0.533SS*.PPolyproline II helixtrans-92.5124.1172.5-64.4179.371.8173.11.7108.8R40 T44R40-R42 PolarHBondContact O-N 3.4Å; R42-T44 VanDerWaalsContact C-N 3.35Å; R42-T44 PolarHBondContact O-N 3.44Å
43W93.2Very high81.6Confident76 Ų76102.7 Ų102.729%0.28852%0.522SS..  trans-75.388.4171.3-78.2102.5000109.6L41 L47 F51 L78 H82 L83 H86L41-W43 HydrophobicContact CD2-CD2 4.13Å; L41-W43 HydrophobicContact CD2-CG 4.22Å; L41-W43 HydrophobicContact CD2-CZ2 4.42Å; W43-L47 HydrophobicContact CE3-CB 4.2Å; W43-L47 HydrophobicContact CZ3-CB 4.39Å; W43-F51 HydrophobicContact CH2-CB 4.5Å; W43-F51 HydrophobicContact CH2-CD2 4.25Å; W43-F51 HydrophobicContact CZ3-CB 4.02Å; W43-F51 HydrophobicContact CZ3-CG 4.38Å; W43-L78 HydrophobicContact CH2-CD1 4.38Å; W43-H82 HydrophobicContact CZ2-CB 4.38Å; W43-L83 HydrophobicContact CH2-CD2 4.07Å; W43-H86 AromaticContact CD2-CG 3.96Å; W43-H86 AromaticContact CE2-CD2 3.83Å; W43-H86 AromaticContact CE2-CG 3.45Å; W43-H86 VanDerWaalsContact CE2-CG 3.45Å; W43-H86 AromaticContact CE2-ND1 3.81Å; W43-H86 HydrophobicContact CH2-CB 4.1Å; W43-H86 AromaticContact CH2-CD2 3.61Å; W43-H86 AromaticContact CH2-CG 3.96Å; W43-H86 HydrophobicContact CZ2-CB 3.32Å; W43-H86 AromaticContact CZ2-CD2 3.63Å; W43-H86 AromaticContact CZ2-CG 3.47Å; W43-H86 VanDerWaalsContact CZ2-CG 3.47Å; W43-H86 AromaticContact CZ3-CD2 3.81Å; W43-H86 AromaticContact NE1-CG 3.8Å; W43-H86 AromaticContact NE1-ND1 3.83Å
44T93.3Very high83.7Confident59 Ų5995.8 Ų95.836%0.36249%0.486SS..  trans-67.7154.3170.257.80000110.1R42 E46 L47 H48R42-T44 VanDerWaalsContact C-N 3.35Å; R42-T44 PolarHBondContact O-N 3.44Å; T44-E46 VanDerWaalsContact C-N 3.25Å; T44-E46 PolarHBondContact O-N 3.09Å; T44-L47 PolarHBondContact O-N 3.37Å; T44-L47 VanDerWaalsContact O-N 3.16Å; T44-L47 WeakPolarHBondContact OG1-CB 3.39Å; T44-L47 WeakPolarHBondContact OG1-CG 3.37Å; T44-L47 PolarHBondContact OG1-N 2.9Å; T44-H48 PolarHBondContact O-N 2.91Å
45P93.9Very high85.6Confident102 Ų10291.5 Ų91.566%0.66246%0.46SS*.Hα-helixtrans-56.4-40.6176.521.3-32.4000111.8L47 H48 D49P45-L47 PolarHBondContact O-N 3.46Å; P45-H48 CarbonylContact O-C 3.55Å; P45-H48 WeakPolarHBondContact O-CA 3.35Å; P45-H48 WeakPolarHBondContact O-CB 3.14Å; P45-H48 PolarHBondContact O-N 3.27Å; P45-D49 VanDerWaalsContact O-CG 3.26Å; P45-D49 PolarHBondContact O-N 2.88Å
46E93.6Very high87.6Confident124 Ų12487.9 Ų87.958%0.57944%0.444SS*.Hα-helixtrans-59.4-42.9176.4-168.7-167.3165.600113.1T44 H48 D49 R50T44-E46 VanDerWaalsContact C-N 3.25Å; T44-E46 PolarHBondContact O-N 3.09Å; E46-H48 VanDerWaalsContact C-N 3.32Å; E46-D49 PolarHBondContact O-N 3.43Å; E46-R50 PolarHBondContact O-N 3.49Å; E46-R50 IonicContact OE1-NH2 3.59Å
47L95.3Very high89.7Confident34 Ų3489.4 Ų89.418%0.17845%0.449CS..Hα-helixtrans-68.3-34.5175-76.4176.5000111.9W43 T44 P45 F51 M73 V75W43-L47 HydrophobicContact CE3-CB 4.2Å; W43-L47 HydrophobicContact CZ3-CB 4.39Å; T44-L47 PolarHBondContact O-N 3.37Å; T44-L47 VanDerWaalsContact O-N 3.16Å; T44-L47 WeakPolarHBondContact OG1-CB 3.39Å; T44-L47 WeakPolarHBondContact OG1-CG 3.37Å; T44-L47 PolarHBondContact OG1-N 2.9Å; P45-L47 PolarHBondContact O-N 3.46Å; L47-F51 WeakPolarHBondContact O-CB 3.33Å; L47-F51 PolarHBondContact O-N 3.17Å; L47-F51 VanDerWaalsContact O-N 3.08Å; L47-M73 WeakPolarHBondContact O-CE 3.39Å; L47-V75 HydrophobicContact CD2-CG1 4.06Å; L47-V75 HydrophobicContact CD2-CG2 3.96Å
48H96Very high91.4Very high64 Ų6485.2 Ų85.230%0.29642%0.418SS..Hα-helixtrans-66.5-43.3175.9-173.279.2000111.6T44 P45 E46 R50 F51 V52 H86T44-H48 PolarHBondContact O-N 2.91Å; P45-H48 CarbonylContact O-C 3.55Å; P45-H48 WeakPolarHBondContact O-CA 3.35Å; P45-H48 WeakPolarHBondContact O-CB 3.14Å; P45-H48 PolarHBondContact O-N 3.27Å; E46-H48 VanDerWaalsContact C-N 3.32Å; H48-R50 PolarHBondContact O-N 2.8Å; H48-F51 CarbonylContact O-C 3.56Å; H48-F51 WeakPolarHBondContact O-CA 3.29Å; H48-F51 WeakPolarHBondContact O-CB 3.33Å; H48-F51 PolarHBondContact O-N 2.95Å; H48-V52 WeakPolarHBondContact NE2-CG2 3.47Å; H48-V52 WeakPolarHBondContact O-CG2 3.35Å; H48-V52 PolarHBondContact O-N 3.39Å; H48-H86 AromaticContact CE1-CE1 3.98Å; H48-H86 AromaticContact CE1-NE2 3.66Å; H48-H86 AromaticContact ND1-CE1 3.59Å; H48-H86 AromaticContact ND1-NE2 3.22Å; H48-H86 PolarHBondContact ND1-NE2 3.15Å
49D95.7Very high92.8Very high103 Ų10379.9 Ų79.955%0.55141%0.412SS*.Hα-helixtrans-62.3-45.2179.8-67.4-23.9000111P45 E46 F51 V52 D53P45-D49 VanDerWaalsContact O-CG 3.26Å; P45-D49 PolarHBondContact O-N 2.88Å; E46-D49 PolarHBondContact O-N 3.43Å; D49-F51 VanDerWaalsContact C-N 3.28Å; D49-F51 PolarHBondContact O-N 3.04Å; D49-V52 PolarHBondContact O-N 2.96Å; D49-D53 WeakPolarHBondContact O-CB 3.14Å; D49-D53 PolarHBondContact O-N 3.06Å
50R95.5Very high93.6Very high130 Ų13075.1 Ų75.149%0.49138%0.384SS..Hα-helixtrans-60.2-37.1172-69.1-176.9-176.7-118.73.3112.6E46 H48 A54 M73E46-R50 PolarHBondContact O-N 3.49Å; E46-R50 IonicContact OE1-NH2 3.59Å; H48-R50 PolarHBondContact O-N 2.8Å; R50-A54 VanDerWaalsContact O-CB 3.24Å; R50-A54 WeakPolarHBondContact O-CB 3.36Å; R50-A54 PolarHBondContact O-N 3.03Å; R50-M73 HydrophobicContact CB-CE 4Å
51F96.8Very high94.1Very high0 Ų066 Ų660%035%0.351CS..Hα-helixtrans-66.5-44.8175.7166.2-88.8000111.6W43 L47 H48 D49 A54 V55 I69 M73 L83 H86 L87 F90W43-F51 HydrophobicContact CH2-CB 4.5Å; W43-F51 HydrophobicContact CH2-CD2 4.25Å; W43-F51 HydrophobicContact CZ3-CB 4.02Å; W43-F51 HydrophobicContact CZ3-CG 4.38Å; L47-F51 WeakPolarHBondContact O-CB 3.33Å; L47-F51 PolarHBondContact O-N 3.17Å; L47-F51 VanDerWaalsContact O-N 3.08Å; H48-F51 CarbonylContact O-C 3.56Å; H48-F51 WeakPolarHBondContact O-CA 3.29Å; H48-F51 WeakPolarHBondContact O-CB 3.33Å; H48-F51 PolarHBondContact O-N 2.95Å; D49-F51 VanDerWaalsContact C-N 3.28Å; D49-F51 PolarHBondContact O-N 3.04Å; F51-A54 PolarHBondContact O-N 3.47Å; F51-V55 HydrophobicContact CD1-CG2 4.41Å; F51-V55 HydrophobicContact CD2-CG2 4.38Å; F51-V55 HydrophobicContact CE1-CG2 3.96Å; F51-V55 HydrophobicContact CE2-CG2 3.94Å; F51-V55 HydrophobicContact CZ-CG2 3.7Å; F51-V55 VanDerWaalsContact O-CG2 3.27Å; F51-V55 WeakPolarHBondContact O-CG2 3.27Å; F51-V55 PolarHBondContact O-N 3.33Å; F51-I69 HydrophobicContact CD2-CG2 3.86Å; F51-I69 HydrophobicContact CE2-CD1 4.04Å; F51-I69 HydrophobicContact CE2-CG2 4.18Å; F51-M73 HydrophobicContact CB-CE 3.97Å; F51-M73 HydrophobicContact CB-SD 3.81Å; F51-M73 HydrophobicContact CD2-SD 4.25Å; F51-L83 HydrophobicContact CD2-CD2 3.95Å; F51-L83 HydrophobicContact CE2-CD2 4.3Å; F51-H86 AromaticContact CD1-CD2 3.61Å; F51-H86 AromaticContact CD1-NE2 3.61Å; F51-H86 AromaticContact CD2-CD2 3.82Å; F51-H86 AromaticContact CE1-CD2 3.56Å; F51-H86 AromaticContact CE1-NE2 3.73Å; F51-H86 AromaticContact CE2-CD2 3.76Å; F51-H86 AromaticContact CG-CD2 3.75Å; F51-H86 AromaticContact CZ-CD2 3.63Å; F51-L87 HydrophobicContact CE2-CB 4.36Å; F51-L87 HydrophobicContact CE2-CD1 4.46Å; F51-L87 HydrophobicContact CZ-CB 4.29Å; F51-L87 HydrophobicContact CZ-CD1 4.01Å; F51-F90 HydrophobicContact CE1-CB 3.9Å; F51-F90 AromaticContact CE1-CD1 3.85Å; F51-F90 HydrophobicContact CE1-CD1 3.85Å; F51-F90 AromaticContact CE1-CD2 3.8Å; F51-F90 HydrophobicContact CE1-CD2 3.8Å; F51-F90 HydrophobicContact CE1-CE1 4.27Å; F51-F90 HydrophobicContact CE1-CE2 4.21Å; F51-F90 AromaticContact CE1-CG 3.59Å; F51-F90 HydrophobicContact CE1-CG 3.59Å; F51-F90 HydrophobicContact CE1-CZ 4.43Å; F51-F90 HydrophobicContact CZ-CB 4Å; F51-F90 HydrophobicContact CZ-CD1 4.18Å; F51-F90 HydrophobicContact CZ-CG 4.07Å
52V95.9Very high94.2Very high48 Ų4868.1 Ų68.129%0.29136%0.363SS..Hα-helixtrans-64.9-44.5179.11730000110.6H48 D49 V55 A56 F90H48-V52 WeakPolarHBondContact NE2-CG2 3.47Å; H48-V52 WeakPolarHBondContact O-CG2 3.35Å; H48-V52 PolarHBondContact O-N 3.39Å; D49-V52 PolarHBondContact O-N 2.96Å; V52-V55 PolarHBondContact O-N 3.42Å; V52-A56 WeakPolarHBondContact O-CB 3.36Å; V52-A56 PolarHBondContact O-N 3.23Å; V52-F90 HydrophobicContact CG2-CE2 3.89Å; V52-F90 HydrophobicContact CG2-CZ 4.1Å
53D96.1Very high94.4Very high91 Ų9166.8 Ų66.849%0.48736%0.362SS..Hα-helixtrans-60.1-46.9175.1-177.240.8000111.3D49 V55 A56 Q57D49-D53 WeakPolarHBondContact O-CB 3.14Å; D49-D53 PolarHBondContact O-N 3.06Å; D53-V55 VanDerWaalsContact C-N 3.31Å; D53-V55 PolarHBondContact O-N 3.42Å; D53-A56 WeakPolarHBondContact O-CB 3.47Å; D53-A56 PolarHBondContact O-N 2.97Å; D53-A56 VanDerWaalsContact O-N 3.13Å; D53-Q57 WeakPolarHBondContact O-CG 3.47Å; D53-Q57 PolarHBondContact O-N 3.4Å; D53-Q57 PolarHBondContact OD1-NE2 3.29Å; D53-Q57 PolarHBondContact OD2-NE2 2.85Å
54A96.5Very high94.4Very high1 Ų163.1 Ų63.11%0.00835%0.348CS..Hα-helixtrans-59.9-39.417500000112.9R50 F51 L58 I69 V72 M73R50-A54 VanDerWaalsContact O-CB 3.24Å; R50-A54 WeakPolarHBondContact O-CB 3.36Å; R50-A54 PolarHBondContact O-N 3.03Å; F51-A54 PolarHBondContact O-N 3.47Å; A54-L58 WeakPolarHBondContact O-CD1 3.46Å; A54-L58 WeakPolarHBondContact O-CG 3.48Å; A54-L58 PolarHBondContact O-N 3.06Å; A54-I69 HydrophobicContact CB-CG2 4.19Å; A54-V72 HydrophobicContact CB-CB 3.97Å; A54-V72 HydrophobicContact CB-CG1 3.55Å; A54-M73 HydrophobicContact CB-CG 3.96Å
55V96.3Very high94.5Very high3 Ų363.5 Ų63.52%0.01835%0.35CS..Hα-helixtrans-69.1-37.8176172.40000111.3F51 V52 D53 L58 G59 G60 P61 A64 I69 L87 F90F51-V55 HydrophobicContact CD1-CG2 4.41Å; F51-V55 HydrophobicContact CD2-CG2 4.38Å; F51-V55 HydrophobicContact CE1-CG2 3.96Å; F51-V55 HydrophobicContact CE2-CG2 3.94Å; F51-V55 HydrophobicContact CZ-CG2 3.7Å; F51-V55 VanDerWaalsContact O-CG2 3.27Å; F51-V55 WeakPolarHBondContact O-CG2 3.27Å; F51-V55 PolarHBondContact O-N 3.33Å; V52-V55 PolarHBondContact O-N 3.42Å; D53-V55 VanDerWaalsContact C-N 3.31Å; D53-V55 PolarHBondContact O-N 3.42Å; V55-L58 PolarHBondContact O-N 3.43Å; V55-G59 PolarHBondContact O-N 3.25Å; V55-G60 VanDerWaalsContact CG1-C 3.45Å; V55-G60 WeakPolarHBondContact O-CA 3.43Å; V55-G60 PolarHBondContact O-N 3.19Å; V55-P61 HydrophobicContact CG1-CB 4.19Å; V55-A64 HydrophobicContact CB-CB 4.4Å; V55-A64 HydrophobicContact CG1-CB 4.06Å; V55-A64 HydrophobicContact CG2-CB 4.13Å; V55-I69 HydrophobicContact CG2-CD1 3.8Å; V55-I69 HydrophobicContact CG2-CG1 4.21Å; V55-L87 HydrophobicContact CG2-CD1 4.28Å; V55-F90 HydrophobicContact CB-CE1 4.31Å; V55-F90 HydrophobicContact CG1-CD1 4.34Å; V55-F90 HydrophobicContact CG1-CE1 3.74Å
56A94.1Very high94.6Very high66 Ų6660 Ų6055%0.54533%0.328SS..Hα-helixtrans-63.6-45.217500000111.3V52 D53 L58 G59V52-A56 WeakPolarHBondContact O-CB 3.36Å; V52-A56 PolarHBondContact O-N 3.23Å; D53-A56 WeakPolarHBondContact O-CB 3.47Å; D53-A56 PolarHBondContact O-N 2.97Å; D53-A56 VanDerWaalsContact O-N 3.13Å; A56-L58 PolarHBondContact O-N 3.14Å; A56-G59 PolarHBondContact O-N 3.02Å; A56-G59 VanDerWaalsContact O-N 3.1Å
57Q94.5Very high94.7Very high124 Ų12460.9 Ų60.958%0.57933%0.329SS*.Hα-helixtrans-60.1-30.4175-70.6179.545.800113D53 G59D53-Q57 WeakPolarHBondContact O-CG 3.47Å; D53-Q57 PolarHBondContact O-N 3.4Å; D53-Q57 PolarHBondContact OD1-NE2 3.29Å; D53-Q57 PolarHBondContact OD2-NE2 2.85Å; Q57-G59 VanDerWaalsContact C-N 3.29Å; Q57-G59 PolarHBondContact O-N 3.32Å
58L94.7Very high94.8Very high50 Ų5061.4 Ų61.426%0.26233%0.334SS..THydrogen-bonded Turntrans-85.57.1178.8-68.2169.4000114.1A54 V55 A56 K63 A64 T68 I69A54-L58 WeakPolarHBondContact O-CD1 3.46Å; A54-L58 WeakPolarHBondContact O-CG 3.48Å; A54-L58 PolarHBondContact O-N 3.06Å; V55-L58 PolarHBondContact O-N 3.43Å; A56-L58 PolarHBondContact O-N 3.14Å; L58-K63 WeakPolarHBondContact O-CB 3.4Å; L58-A64 HydrophobicContact CB-CB 3.84Å; L58-A64 HydrophobicContact CD1-CB 3.84Å; L58-T68 VanDerWaalsContact CD1-OG1 3.24Å; L58-T68 WeakPolarHBondContact CD1-OG1 3.28Å; L58-I69 HydrophobicContact CD1-CB 4.38Å; L58-I69 HydrophobicContact CD1-CG1 3.52Å
59G91Very high94.8Very high58 Ų5858.3 Ų58.360%0.59832%0.32SS*.THydrogen-bonded Turntrans84.124.1179.200000114V55 A56 Q57V55-G59 PolarHBondContact O-N 3.25Å; A56-G59 PolarHBondContact O-N 3.02Å; A56-G59 VanDerWaalsContact O-N 3.1Å; Q57-G59 VanDerWaalsContact C-N 3.29Å; Q57-G59 PolarHBondContact O-N 3.32Å
60G92.3Very high94.8Very high17 Ų1756.8 Ų56.818%0.17531%0.31CS..SBendtrans98.5175.2173.900000114.8V55 D62 K63 A64V55-G60 VanDerWaalsContact CG1-C 3.45Å; V55-G60 WeakPolarHBondContact O-CA 3.43Å; V55-G60 PolarHBondContact O-N 3.19Å; G60-D62 VanDerWaalsContact C-N 3.3Å; G60-D62 PolarHBondContact O-N 3.5Å; G60-K63 PolarHBondContact O-N 3.33Å; G60-A64 VanDerWaalsContact O-CB 3.3Å; G60-A64 WeakPolarHBondContact O-CB 3.46Å; G60-A64 PolarHBondContact O-N 2.92Å
61P92.6Very high94.8Very high15 Ų1560.4 Ų60.410%0.09732%0.324CS..THydrogen-bonded Turntrans-65.1-29.6-169.427.3-37000113.8V55 F90 R91 K94V55-P61 HydrophobicContact CG1-CB 4.19Å; P61-F90 HydrophobicContact CB-CD1 3.78Å; P61-F90 HydrophobicContact CB-CE1 3.96Å; P61-F90 HydrophobicContact CG-CE1 4.47Å; P61-R91 HydrophobicContact CB-CG 3.9Å; P61-R91 PolarHBondContact O-NE 2.95Å; P61-R91 PolarHBondContact O-NH2 3.18Å; P61-R91 VanDerWaalsContact O-NH2 3.1Å; P61-K94 HydrophobicContact CG-CB 4.23Å; P61-K94 HydrophobicContact CG-CD 3.89Å
62D91.6Very high94.7Very high97 Ų9763.3 Ų63.352%0.51934%0.342SS..THydrogen-bonded Turntrans-68.5-45.8178.8-177.257.8000111.7G60 R91G60-D62 VanDerWaalsContact C-N 3.3Å; G60-D62 PolarHBondContact O-N 3.5Å; D62-R91 PolarHBondContact O-NH2 2.99Å
63K92.7Very high94.7Very high140 Ų14061.7 Ų61.761%0.60933%0.331SS*.THydrogen-bonded Turntrans-80.7-30.3-178-57.2-53.4179-140.20113.4L58 G60 T65L58-K63 WeakPolarHBondContact O-CB 3.4Å; G60-K63 PolarHBondContact O-N 3.33Å; K63-T65 PolarHBondContact O-N 2.96Å
64A94.1Very high94.5Very high0 Ų060.1 Ų60.10%034%0.336CS..  trans-63.8132.4-179.100000111.8V55 L58 G60 I69 L87 R91V55-A64 HydrophobicContact CB-CB 4.4Å; V55-A64 HydrophobicContact CG1-CB 4.06Å; V55-A64 HydrophobicContact CG2-CB 4.13Å; L58-A64 HydrophobicContact CB-CB 3.84Å; L58-A64 HydrophobicContact CD1-CB 3.84Å; G60-A64 VanDerWaalsContact O-CB 3.3Å; G60-A64 WeakPolarHBondContact O-CB 3.46Å; G60-A64 PolarHBondContact O-N 2.92Å; A64-I69 HydrophobicContact CB-CD1 3.85Å; A64-I69 HydrophobicContact CB-CG1 4.01Å; A64-L87 WeakPolarHBondContact O-CD2 3.48Å; A64-R91 PolarHBondContact O-NH2 3.41Å
65T95.6Very high94.3Very high67 Ų6762.3 Ų62.341%0.41135%0.35SS..  trans-111.8143.3178.1-63.20000109.5K63 K67 T68 I69K63-T65 PolarHBondContact O-N 2.96Å; T65-K67 HydrophobicContact CG2-CB 4.38Å; T65-K67 PolarHBondContact O-N 3.16Å; T65-T68 PolarHBondContact N-OG1 3.39Å; T65-T68 PolarHBondContact O-N 3.41Å; T65-T68 PolarHBondContact O-OG1 3.49Å; T65-I69 WeakPolarHBondContact O-CG1 3.44Å; T65-I69 PolarHBondContact O-N 2.69Å
66P95.8Very high93.9Very high29 Ų2972.1 Ų72.119%0.18839%0.392CS..Hα-helixtrans-52.9-35.2-179-2935.9000114.1M70 L80 L83 K84 L87P66-M70 WeakPolarHBondContact O-CB 3.48Å; P66-M70 PolarHBondContact O-N 2.93Å; P66-L80 HydrophobicContact CB-CD2 4.26Å; P66-L83 HydrophobicContact CB-CB 4.19Å; P66-K84 HydrophobicContact CG-CB 4.21Å; P66-L87 HydrophobicContact CG-CD2 3.85Å
67K96.6Very high93.7Very high141 Ų14172.2 Ų72.261%0.61340%0.4SS*.Hα-helixtrans-65.1-41.3176.1-70.4-177.5178.2174.30113.2T65 R71 L80T65-K67 HydrophobicContact CG2-CB 4.38Å; T65-K67 PolarHBondContact O-N 3.16Å; K67-R71 PolarHBondContact O-N 3.22Å; K67-L80 HydrophobicContact CB-CD2 4.41Å; K67-L80 HydrophobicContact CG-CD1 4.24Å; K67-L80 HydrophobicContact CG-CD2 3.94Å
68T96Very high93.5Very high45 Ų4566.9 Ų66.928%0.27638%0.375SS..Hα-helixtrans-75.4-41.9-179.156.70000110.4L58 T65 M70 R71 V72L58-T68 VanDerWaalsContact CD1-OG1 3.24Å; L58-T68 WeakPolarHBondContact CD1-OG1 3.28Å; T65-T68 PolarHBondContact N-OG1 3.39Å; T65-T68 PolarHBondContact O-N 3.41Å; T65-T68 PolarHBondContact O-OG1 3.49Å; T68-M70 VanDerWaalsContact C-N 3.29Å; T68-M70 PolarHBondContact O-N 3.02Å; T68-R71 WeakPolarHBondContact O-CB 3.41Å; T68-R71 PolarHBondContact O-N 2.89Å; T68-R71 VanDerWaalsContact O-N 3.1Å; T68-V72 WeakPolarHBondContact O-CG2 3.2Å; T68-V72 PolarHBondContact O-N 2.92Å
69I96.7Very high93.5Very high0 Ų067.6 Ų67.60%038%0.381CS..Hα-helixtrans-57.8-43.3174.7-59.5166.1000110.7F51 A54 V55 L58 A64 T65 R71 V72 M73 L83 L87F51-I69 HydrophobicContact CD2-CG2 3.86Å; F51-I69 HydrophobicContact CE2-CD1 4.04Å; F51-I69 HydrophobicContact CE2-CG2 4.18Å; A54-I69 HydrophobicContact CB-CG2 4.19Å; V55-I69 HydrophobicContact CG2-CD1 3.8Å; V55-I69 HydrophobicContact CG2-CG1 4.21Å; L58-I69 HydrophobicContact CD1-CB 4.38Å; L58-I69 HydrophobicContact CD1-CG1 3.52Å; A64-I69 HydrophobicContact CB-CD1 3.85Å; A64-I69 HydrophobicContact CB-CG1 4.01Å; T65-I69 WeakPolarHBondContact O-CG1 3.44Å; T65-I69 PolarHBondContact O-N 2.69Å; I69-R71 VanDerWaalsContact C-N 3.28Å; I69-R71 PolarHBondContact O-N 2.94Å; I69-V72 PolarHBondContact O-N 3.05Å; I69-M73 HydrophobicContact CG2-CG 4.13Å; I69-M73 HydrophobicContact CG2-SD 3.8Å; I69-M73 WeakPolarHBondContact O-CB 3.33Å; I69-M73 WeakPolarHBondContact O-CG 3.47Å; I69-M73 PolarHBondContact O-N 2.91Å; I69-L83 HydrophobicContact CB-CD2 4.45Å; I69-L83 HydrophobicContact CG2-CD1 4.5Å; I69-L83 HydrophobicContact CG2-CD2 3.67Å; I69-L87 HydrophobicContact CD1-CD1 3.82Å; I69-L87 HydrophobicContact CD1-CD2 3.79Å; I69-L87 HydrophobicContact CD1-CG 4.25Å
70M95.6Very high93.7Very high71 Ų7168 Ų6835%0.3537%0.37SS..Hα-helixtrans-58.5-41.4177.6-165.9174.369.200112.3P66 T68 G74 L80 L83P66-M70 WeakPolarHBondContact O-CB 3.48Å; P66-M70 PolarHBondContact O-N 2.93Å; T68-M70 VanDerWaalsContact C-N 3.29Å; T68-M70 PolarHBondContact O-N 3.02Å; M70-G74 PolarHBondContact O-N 3.05Å; M70-L80 HydrophobicContact CB-CD2 4.19Å; M70-L80 HydrophobicContact CE-CD2 3.86Å; M70-L80 HydrophobicContact CE-CG 4.07Å; M70-L80 HydrophobicContact SD-CD2 3.62Å; M70-L80 HydrophobicContact SD-CG 3.73Å; M70-L83 VanDerWaalsContact CA-CD1 3.47Å; M70-L83 HydrophobicContact CB-CD1 3.39Å; M70-L83 HydrophobicContact CG-CD1 3.84Å
71R95.3Very high93.8Very high205 Ų20575.4 Ų75.477%0.77439%0.394SS*.Hα-helixtrans-68.3-41.6178.8-173.2-178.9-65.1148.9-2.1111.7K67 T68 I69K67-R71 PolarHBondContact O-N 3.22Å; T68-R71 WeakPolarHBondContact O-CB 3.41Å; T68-R71 PolarHBondContact O-N 2.89Å; T68-R71 VanDerWaalsContact O-N 3.1Å; I69-R71 VanDerWaalsContact C-N 3.28Å; I69-R71 PolarHBondContact O-N 2.94Å
72V95.2Very high93.9Very high62 Ų6276.7 Ų76.738%0.37640%0.398SS..Hα-helixtrans-68.3-42.7179176.90000111.1A54 T68 I69A54-V72 HydrophobicContact CB-CB 3.97Å; A54-V72 HydrophobicContact CB-CG1 3.55Å; T68-V72 WeakPolarHBondContact O-CG2 3.2Å; T68-V72 PolarHBondContact O-N 2.92Å; I69-V72 PolarHBondContact O-N 3.05Å
73M94.8Very high94.1Very high13 Ų1372 Ų726%0.06437%0.373CS..Hα-helixtrans-71.8-34.5179.8-71.2-176.272.900113.2L47 R50 F51 A54 I69 V75 L78 L83L47-M73 WeakPolarHBondContact O-CE 3.39Å; R50-M73 HydrophobicContact CB-CE 4Å; F51-M73 HydrophobicContact CB-CE 3.97Å; F51-M73 HydrophobicContact CB-SD 3.81Å; F51-M73 HydrophobicContact CD2-SD 4.25Å; A54-M73 HydrophobicContact CB-CG 3.96Å; I69-M73 HydrophobicContact CG2-CG 4.13Å; I69-M73 HydrophobicContact CG2-SD 3.8Å; I69-M73 WeakPolarHBondContact O-CB 3.33Å; I69-M73 WeakPolarHBondContact O-CG 3.47Å; I69-M73 PolarHBondContact O-N 2.91Å; M73-V75 HydrophobicContact CB-CG2 4.28Å; M73-V75 HydrophobicContact CE-CG2 4.39Å; M73-V75 WeakPolarHBondContact O-CG2 3.48Å; M73-V75 PolarHBondContact O-N 3.44Å; M73-L78 HydrophobicContact CE-CD2 3.79Å; M73-L78 HydrophobicContact SD-CD2 3.85Å; M73-L83 HydrophobicContact SD-CD2 3.9Å
74G92.5Very high94.3Very high58 Ų5872.1 Ų72.160%0.59837%0.374SS*.  trans60.814.2175.600000115.8M70 K76M70-G74 PolarHBondContact O-N 3.05Å; G74-K76 PolarHBondContact O-N 3.46Å
75V92.6Very high94.3Very high48 Ų4874.1 Ų74.129%0.29139%0.388SS..  trans-76.8117.8-174.9179.60000110.7L47 M73 G77 L78L47-V75 HydrophobicContact CD2-CG1 4.06Å; L47-V75 HydrophobicContact CD2-CG2 3.96Å; M73-V75 HydrophobicContact CB-CG2 4.28Å; M73-V75 HydrophobicContact CE-CG2 4.39Å; M73-V75 WeakPolarHBondContact O-CG2 3.48Å; M73-V75 PolarHBondContact O-N 3.44Å; V75-G77 PolarHBondContact O-N 3.32Å; V75-L78 HydrophobicContact CB-CB 4.04Å; V75-L78 HydrophobicContact CB-CD2 4.25Å; V75-L78 HydrophobicContact CG1-CB 4.22Å; V75-L78 WeakPolarHBondContact O-CB 3.47Å; V75-L78 PolarHBondContact O-N 2.98Å
76K87.9Confident94.3Very high208 Ų20872 Ų7290%0.90437%0.373SS*.THydrogen-bonded Turntrans-63.5129.2176.4-65.7179.9-178.7171.80110.2G74G74-K76 PolarHBondContact O-N 3.46Å
77G88.9Confident94.3Very high69 Ų6970.6 Ų70.671%0.71136%0.364SS*.THydrogen-bonded Turntrans90.4-7.9-177.500000115.1V75 T79V75-G77 PolarHBondContact O-N 3.32Å; G77-T79 PolarHBondContact O-N 2.94Å
78L92.3Very high94.2Very high12 Ų1269.6 Ų69.66%0.06336%0.362CS..  trans-80.2113.7172.6-171.762.5000109.9L41 W43 M73 V75 H82 L83L41-L78 HydrophobicContact CD1-CD1 3.52Å; L41-L78 HydrophobicContact CD2-CD1 4.37Å; W43-L78 HydrophobicContact CH2-CD1 4.38Å; M73-L78 HydrophobicContact CE-CD2 3.79Å; M73-L78 HydrophobicContact SD-CD2 3.85Å; V75-L78 HydrophobicContact CB-CB 4.04Å; V75-L78 HydrophobicContact CB-CD2 4.25Å; V75-L78 HydrophobicContact CG1-CB 4.22Å; V75-L78 WeakPolarHBondContact O-CB 3.47Å; V75-L78 PolarHBondContact O-N 2.98Å; L78-H82 HydrophobicContact CD1-CB 3.77Å; L78-L83 HydrophobicContact CD2-CD1 4.22Å; L78-L83 HydrophobicContact CD2-CD2 3.94Å; L78-L83 HydrophobicContact CD2-CG 4.11Å; L78-L83 HydrophobicContact CG-CD1 4.33Å; L78-L83 HydrophobicContact CG-CD2 4.47Å; L78-L83 HydrophobicContact CG-CG 4.15Å
79T93.8Very high94.1Very high64 Ų6474.8 Ų74.839%0.39338%0.38SS..  trans-91.1159.1-179.971.80000111.9G77 Y81 H82 L83G77-T79 PolarHBondContact O-N 2.94Å; T79-Y81 PolarHBondContact O-N 3.26Å; T79-Y81 VanDerWaalsContact O-N 3.15Å; T79-Y81 PolarHBondContact OG1-N 3.4Å; T79-H82 PolarHBondContact O-N 3.3Å; T79-H82 PolarHBondContact OG1-ND1 3.06Å; T79-L83 PolarHBondContact O-N 2.86Å
80L95.3Very high94Very high67 Ų6776.1 Ų76.135%0.35139%0.386SS..Hα-helixtrans-56.5-28.1172.5-71.2175.6000113P66 K67 M70 L83 K84P66-L80 HydrophobicContact CB-CD2 4.26Å; K67-L80 HydrophobicContact CB-CD2 4.41Å; K67-L80 HydrophobicContact CG-CD1 4.24Å; K67-L80 HydrophobicContact CG-CD2 3.94Å; M70-L80 HydrophobicContact CB-CD2 4.19Å; M70-L80 HydrophobicContact CE-CD2 3.86Å; M70-L80 HydrophobicContact CE-CG 4.07Å; M70-L80 HydrophobicContact SD-CD2 3.62Å; M70-L80 HydrophobicContact SD-CG 3.73Å; L80-L83 PolarHBondContact O-N 3.44Å; L80-K84 WeakPolarHBondContact O-CB 3.38Å; L80-K84 PolarHBondContact O-N 2.94Å
81Y94.6Very high93.9Very high173 Ų17376.7 Ų76.768%0.67839%0.385SS*.Hα-helixtrans-65.9-44.5178.8176.6-99.6000111.8T79 L83 K84 S85T79-Y81 PolarHBondContact O-N 3.26Å; T79-Y81 VanDerWaalsContact O-N 3.15Å; T79-Y81 PolarHBondContact OG1-N 3.4Å; Y81-L83 VanDerWaalsContact C-N 3.32Å; Y81-L83 PolarHBondContact O-N 2.88Å; Y81-K84 PolarHBondContact O-N 2.92Å; Y81-S85 PolarHBondContact O-N 3.42Å; Y81-S85 PolarHBondContact O-OG 2.92Å
82H94.8Very high93.7Very high41 Ų4172.9 Ų72.919%0.1938%0.379CS..Hα-helixtrans-61.8-43.2176.2-57.3144.1000111L41 W43 L78 T79 S85 H86L41-H82 WeakPolarHBondContact CD1-ND1 3.45Å; L41-H82 HydrophobicContact CD2-CB 4.39Å; W43-H82 HydrophobicContact CZ2-CB 4.38Å; L78-H82 HydrophobicContact CD1-CB 3.77Å; T79-H82 PolarHBondContact O-N 3.3Å; T79-H82 PolarHBondContact OG1-ND1 3.06Å; H82-S85 PolarHBondContact O-OG 3.35Å; H82-S85 VanDerWaalsContact O-OG 3.04Å; H82-H86 WeakPolarHBondContact O-CB 3.48Å; H82-H86 PolarHBondContact O-N 3.18Å
83L95.9Very high93.1Very high0 Ų072.5 Ų72.50%039%0.387CS..Hα-helixtrans-69-41.9178.1-71.4170.3000112.8W43 F51 P66 I69 M70 M73 L78 T79 L80 Y81 H86 L87W43-L83 HydrophobicContact CH2-CD2 4.07Å; F51-L83 HydrophobicContact CD2-CD2 3.95Å; F51-L83 HydrophobicContact CE2-CD2 4.3Å; P66-L83 HydrophobicContact CB-CB 4.19Å; I69-L83 HydrophobicContact CB-CD2 4.45Å; I69-L83 HydrophobicContact CG2-CD1 4.5Å; I69-L83 HydrophobicContact CG2-CD2 3.67Å; M70-L83 VanDerWaalsContact CA-CD1 3.47Å; M70-L83 HydrophobicContact CB-CD1 3.39Å; M70-L83 HydrophobicContact CG-CD1 3.84Å; M73-L83 HydrophobicContact SD-CD2 3.9Å; L78-L83 HydrophobicContact CD2-CD1 4.22Å; L78-L83 HydrophobicContact CD2-CD2 3.94Å; L78-L83 HydrophobicContact CD2-CG 4.11Å; L78-L83 HydrophobicContact CG-CD1 4.33Å; L78-L83 HydrophobicContact CG-CD2 4.47Å; L78-L83 HydrophobicContact CG-CG 4.15Å; T79-L83 PolarHBondContact O-N 2.86Å; L80-L83 PolarHBondContact O-N 3.44Å; Y81-L83 VanDerWaalsContact C-N 3.32Å; Y81-L83 PolarHBondContact O-N 2.88Å; L83-H86 PolarHBondContact O-N 3.32Å; L83-L87 WeakPolarHBondContact O-CA 3.42Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 PolarHBondContact O-N 3.01Å
84K95.6Very high92Very high141 Ų14174.8 Ų74.861%0.61340%0.397SS*.Hα-helixtrans-61.6-50.2179-178.3178178.6177.40110.9P66 L80 Y81 Q88P66-K84 HydrophobicContact CG-CB 4.21Å; L80-K84 WeakPolarHBondContact O-CB 3.38Å; L80-K84 PolarHBondContact O-N 2.94Å; Y81-K84 PolarHBondContact O-N 2.92Å; K84-Q88 VanDerWaalsContact O-CB 3.31Å; K84-Q88 WeakPolarHBondContact O-CB 3.47Å; K84-Q88 PolarHBondContact O-N 3.26Å
85S95Very high90.3Very high43 Ų4375.9 Ų75.930%0.30139%0.386SS..Hα-helixtrans-63.5-42.4178.454.70000112Y81 H82 K89Y81-S85 PolarHBondContact O-N 3.42Å; Y81-S85 PolarHBondContact O-OG 2.92Å; H82-S85 PolarHBondContact O-OG 3.35Å; H82-S85 VanDerWaalsContact O-OG 3.04Å; S85-K89 PolarHBondContact O-N 3.34Å; S85-K89 VanDerWaalsContact O-N 3.13Å
86H95.5Very high88.3Confident21 Ų2178.2 Ų78.210%0.09739%0.394CS..Hα-helixtrans-71.6-40.9179.2-167.660.9000113.2W43 H48 F51 H82 L83 Q88 K89 F90W43-H86 AromaticContact CD2-CG 3.96Å; W43-H86 AromaticContact CE2-CD2 3.83Å; W43-H86 AromaticContact CE2-CG 3.45Å; W43-H86 VanDerWaalsContact CE2-CG 3.45Å; W43-H86 AromaticContact CE2-ND1 3.81Å; W43-H86 HydrophobicContact CH2-CB 4.1Å; W43-H86 AromaticContact CH2-CD2 3.61Å; W43-H86 AromaticContact CH2-CG 3.96Å; W43-H86 HydrophobicContact CZ2-CB 3.32Å; W43-H86 AromaticContact CZ2-CD2 3.63Å; W43-H86 AromaticContact CZ2-CG 3.47Å; W43-H86 VanDerWaalsContact CZ2-CG 3.47Å; W43-H86 AromaticContact CZ3-CD2 3.81Å; W43-H86 AromaticContact NE1-CG 3.8Å; W43-H86 AromaticContact NE1-ND1 3.83Å; H48-H86 AromaticContact CE1-CE1 3.98Å; H48-H86 AromaticContact CE1-NE2 3.66Å; H48-H86 AromaticContact ND1-CE1 3.59Å; H48-H86 AromaticContact ND1-NE2 3.22Å; H48-H86 PolarHBondContact ND1-NE2 3.15Å; F51-H86 AromaticContact CD1-CD2 3.61Å; F51-H86 AromaticContact CD1-NE2 3.61Å; F51-H86 AromaticContact CD2-CD2 3.82Å; F51-H86 AromaticContact CE1-CD2 3.56Å; F51-H86 AromaticContact CE1-NE2 3.73Å; F51-H86 AromaticContact CE2-CD2 3.76Å; F51-H86 AromaticContact CG-CD2 3.75Å; F51-H86 AromaticContact CZ-CD2 3.63Å; H82-H86 WeakPolarHBondContact O-CB 3.48Å; H82-H86 PolarHBondContact O-N 3.18Å; L83-H86 PolarHBondContact O-N 3.32Å; H86-Q88 VanDerWaalsContact C-N 3.32Å; H86-Q88 PolarHBondContact O-N 3.13Å; H86-K89 PolarHBondContact O-N 3.47Å; H86-F90 VanDerWaalsContact O-CB 3.31Å; H86-F90 WeakPolarHBondContact O-CB 3.41Å; H86-F90 PolarHBondContact O-N 2.99Å
87L95.7Very high86.9Confident1 Ų175 Ų751%0.00538%0.38CS..Hα-helixtrans-63.9-38.3174.7-178.465.2000111.7F51 V55 A64 P66 I69 L83 F90 R91F51-L87 HydrophobicContact CE2-CB 4.36Å; F51-L87 HydrophobicContact CE2-CD1 4.46Å; F51-L87 HydrophobicContact CZ-CB 4.29Å; F51-L87 HydrophobicContact CZ-CD1 4.01Å; V55-L87 HydrophobicContact CG2-CD1 4.28Å; A64-L87 WeakPolarHBondContact O-CD2 3.48Å; P66-L87 HydrophobicContact CG-CD2 3.85Å; I69-L87 HydrophobicContact CD1-CD1 3.82Å; I69-L87 HydrophobicContact CD1-CD2 3.79Å; I69-L87 HydrophobicContact CD1-CG 4.25Å; L83-L87 WeakPolarHBondContact O-CA 3.42Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 PolarHBondContact O-N 3.01Å; L87-F90 PolarHBondContact O-N 3.29Å; L87-R91 HydrophobicContact CD1-CG 4.43Å; L87-R91 HydrophobicContact CG-CG 4.49Å; L87-R91 WeakPolarHBondContact O-CB 3.41Å; L87-R91 VanDerWaalsContact O-CG 3.29Å; L87-R91 WeakPolarHBondContact O-CG 3.25Å; L87-R91 PolarHBondContact O-N 3.41Å
88Q94.7Very high85.1Confident120 Ų12074.2 Ų74.256%0.56136%0.358SS*.Hα-helixtrans-59.4-50.5173-178178.83.900110.7K84 H86 F90 R91 L92K84-Q88 VanDerWaalsContact O-CB 3.31Å; K84-Q88 WeakPolarHBondContact O-CB 3.47Å; K84-Q88 PolarHBondContact O-N 3.26Å; H86-Q88 VanDerWaalsContact C-N 3.32Å; H86-Q88 PolarHBondContact O-N 3.13Å; Q88-F90 VanDerWaalsContact C-N 3.31Å; Q88-F90 PolarHBondContact O-N 2.9Å; Q88-R91 PolarHBondContact O-N 3.19Å; Q88-L92 HydrophobicContact CG-CD1 4.41Å; Q88-L92 WeakPolarHBondContact O-CG 3.3Å; Q88-L92 PolarHBondContact O-N 3.14Å
89K93.4Very high83.2Confident153 Ų15380 Ų8067%0.66539%0.388SS*.Hα-helixtrans-59.3-41.9174.9-72.4-17767.6-169.90112.4S85 H86 L92 G93S85-K89 PolarHBondContact O-N 3.34Å; S85-K89 VanDerWaalsContact O-N 3.13Å; H86-K89 PolarHBondContact O-N 3.47Å; K89-L92 PolarHBondContact O-N 3.41Å; K89-G93 PolarHBondContact O-N 3.16Å
90F94.3Very high80.8Confident29 Ų2979.7 Ų79.713%0.12740%0.397CS..Hα-helixtrans-65.8-40-179.3-171-107.3000112.1F51 V52 V55 P61 H86 L87 Q88 G93 K94F51-F90 HydrophobicContact CE1-CB 3.9Å; F51-F90 AromaticContact CE1-CD1 3.85Å; F51-F90 HydrophobicContact CE1-CD1 3.85Å; F51-F90 AromaticContact CE1-CD2 3.8Å; F51-F90 HydrophobicContact CE1-CD2 3.8Å; F51-F90 HydrophobicContact CE1-CE1 4.27Å; F51-F90 HydrophobicContact CE1-CE2 4.21Å; F51-F90 AromaticContact CE1-CG 3.59Å; F51-F90 HydrophobicContact CE1-CG 3.59Å; F51-F90 HydrophobicContact CE1-CZ 4.43Å; F51-F90 HydrophobicContact CZ-CB 4Å; F51-F90 HydrophobicContact CZ-CD1 4.18Å; F51-F90 HydrophobicContact CZ-CG 4.07Å; V52-F90 HydrophobicContact CG2-CE2 3.89Å; V52-F90 HydrophobicContact CG2-CZ 4.1Å; V55-F90 HydrophobicContact CB-CE1 4.31Å; V55-F90 HydrophobicContact CG1-CD1 4.34Å; V55-F90 HydrophobicContact CG1-CE1 3.74Å; P61-F90 HydrophobicContact CB-CD1 3.78Å; P61-F90 HydrophobicContact CB-CE1 3.96Å; P61-F90 HydrophobicContact CG-CE1 4.47Å; H86-F90 VanDerWaalsContact O-CB 3.31Å; H86-F90 WeakPolarHBondContact O-CB 3.41Å; H86-F90 PolarHBondContact O-N 2.99Å; L87-F90 PolarHBondContact O-N 3.29Å; Q88-F90 VanDerWaalsContact C-N 3.31Å; Q88-F90 PolarHBondContact O-N 2.9Å; F90-G93 PolarHBondContact O-N 3.47Å; F90-K94 HydrophobicContact CD1-CD 4.27Å; F90-K94 HydrophobicContact CE1-CD 3.53Å; F90-K94 HydrophobicContact CE2-CD 4.28Å; F90-K94 HydrophobicContact CZ-CD 3.56Å; F90-K94 HydrophobicContact CZ-CG 4.42Å; F90-K94 WeakPolarHBondContact O-CB 3.36Å; F90-K94 PolarHBondContact O-N 3.35Å
91R94.5Very high78.6Confident83 Ų8382.3 Ų82.331%0.31341%0.412SS..Hα-helixtrans-61.8-50.7172.5-75.6166.5177.7-173-9.3111P61 D62 A64 L87 Q88 G93 K94 Q95P61-R91 HydrophobicContact CB-CG 3.9Å; P61-R91 PolarHBondContact O-NE 2.95Å; P61-R91 PolarHBondContact O-NH2 3.18Å; P61-R91 VanDerWaalsContact O-NH2 3.1Å; D62-R91 PolarHBondContact O-NH2 2.99Å; A64-R91 PolarHBondContact O-NH2 3.41Å; L87-R91 HydrophobicContact CD1-CG 4.43Å; L87-R91 HydrophobicContact CG-CG 4.49Å; L87-R91 WeakPolarHBondContact O-CB 3.41Å; L87-R91 VanDerWaalsContact O-CG 3.29Å; L87-R91 WeakPolarHBondContact O-CG 3.25Å; L87-R91 PolarHBondContact O-N 3.41Å; Q88-R91 PolarHBondContact O-N 3.19Å; R91-G93 VanDerWaalsContact C-N 3.27Å; R91-G93 PolarHBondContact O-N 2.84Å; R91-K94 PolarHBondContact O-N 3.38Å; R91-Q95 VanDerWaalsContact O-CB 3.28Å; R91-Q95 WeakPolarHBondContact O-CB 3.37Å; R91-Q95 WeakPolarHBondContact O-CG 3.15Å; R91-Q95 PolarHBondContact O-N 3.18Å
92L89.5Confident76.2Confident125 Ų12581.5 Ų81.565%0.65441%0.414SS*.Hα-helixtrans-60.1-38.6178.9-64.7173.1000112Q88 K89Q88-L92 HydrophobicContact CG-CD1 4.41Å; Q88-L92 WeakPolarHBondContact O-CG 3.3Å; Q88-L92 PolarHBondContact O-N 3.14Å; K89-L92 PolarHBondContact O-N 3.41Å
93G84.5Confident73.8Confident53 Ų5386.1 Ų86.155%0.54645%0.445SS..Hα-helixtrans-71.3-34.9176.600000114.7K89 F90 R91K89-G93 PolarHBondContact O-N 3.16Å; F90-G93 PolarHBondContact O-N 3.47Å; R91-G93 VanDerWaalsContact C-N 3.27Å; R91-G93 PolarHBondContact O-N 2.84Å
94K71.8Confident71.1Confident61 Ų6190.3 Ų90.327%0.26548%0.479SS..Hα-helixtrans-86.9-30.2178.5-96.9-175.2170.9-860114.1P61 F90 R91 H96 K97 E98P61-K94 HydrophobicContact CG-CB 4.23Å; P61-K94 HydrophobicContact CG-CD 3.89Å; F90-K94 HydrophobicContact CD1-CD 4.27Å; F90-K94 HydrophobicContact CE1-CD 3.53Å; F90-K94 HydrophobicContact CE2-CD 4.28Å; F90-K94 HydrophobicContact CZ-CD 3.56Å; F90-K94 HydrophobicContact CZ-CG 4.42Å; F90-K94 WeakPolarHBondContact O-CB 3.36Å; F90-K94 PolarHBondContact O-N 3.35Å; R91-K94 PolarHBondContact O-N 3.38Å; K94-H96 PolarHBondContact O-N 2.93Å; K94-K97 CarbonylContact O-C 3.56Å; K94-K97 WeakPolarHBondContact O-CA 3.24Å; K94-K97 WeakPolarHBondContact O-CB 3.49Å; K94-K97 PolarHBondContact O-N 2.9Å; K94-E98 HydrophobicContact CB-CG 4.22Å; K94-E98 HydrophobicContact CG-CG 4.42Å; K94-E98 IonicContact NZ-OE1 3.85Å; K94-E98 PolarHBondContact NZ-OE1 3.48Å; K94-E98 WeakPolarHBondContact O-CG 3.43Å; K94-E98 PolarHBondContact O-N 3.46Å
95Q56.7Low68.5Low81 Ų8192.4 Ų92.438%0.37949%0.494SS..Hα-helixtrans-62.2-29177.7-70.8-69.8-58.400111.3R91 K97 L99R91-Q95 VanDerWaalsContact O-CB 3.28Å; R91-Q95 WeakPolarHBondContact O-CB 3.37Å; R91-Q95 WeakPolarHBondContact O-CG 3.15Å; R91-Q95 PolarHBondContact O-N 3.18Å; Q95-K97 PolarHBondContact O-N 3.3Å; Q95-L99 HydrophobicContact CB-CD1 4.28Å; Q95-L99 WeakPolarHBondContact O-CD1 3.49Å; Q95-L99 PolarHBondContact O-N 2.92Å; Q95-L99 VanDerWaalsContact OE1-CD1 3.29Å
96H50.3Low65.7Low97 Ų9799.1 Ų99.145%0.44952%0.52SS..Hα-helixtrans-68.9-17.7170-167-100000113.7K94 D124K94-H96 PolarHBondContact O-N 2.93Å; H96-D124 IonicContact CD2-OD2 2.76Å; H96-D124 IonicContact CE1-OD2 3.24Å; H96-D124 PolarHBondContact CE1-OD2 2.96Å; H96-D124 IonicContact CG-OD2 3.24Å; H96-D124 IonicContact ND1-OD2 3.77Å; H96-D124 PolarHBondContact ND1-OD2 3.42Å; H96-D124 IonicContact NE2-OD2 3.75Å; H96-D124 PolarHBondContact NE2-OD2 2.96Å
97K57.9Low63Low140 Ų140105.7 Ų105.761%0.60955%0.553SS**Hα-helixtrans-103.6-23-177.1-160.5169-178179.40114K94 Q95K94-K97 CarbonylContact O-C 3.56Å; K94-K97 WeakPolarHBondContact O-CA 3.24Å; K94-K97 WeakPolarHBondContact O-CB 3.49Å; K94-K97 PolarHBondContact O-N 2.9Å; Q95-K97 PolarHBondContact O-N 3.3Å
98E51.7Low60.5Low54 Ų54112.4 Ų112.425%0.25259%0.585SS.*Hα-helixtrans-120.6-3.5-165.9-37-105.815800113.1K94 G100 D101K94-E98 HydrophobicContact CB-CG 4.22Å; K94-E98 HydrophobicContact CG-CG 4.42Å; K94-E98 IonicContact NZ-OE1 3.85Å; K94-E98 PolarHBondContact NZ-OE1 3.48Å; K94-E98 WeakPolarHBondContact O-CG 3.43Å; K94-E98 PolarHBondContact O-N 3.46Å; E98-G100 PolarHBondContact O-N 3.23Å; E98-D101 PolarHBondContact O-N 3.35Å
99L50.8Low58.2Low134 Ų134117 Ų11770%0.70260%0.597SS**THydrogen-bonded Turntrans-65.5-4.8173.3-118.996.8000113.8Q95Q95-L99 HydrophobicContact CB-CD1 4.28Å; Q95-L99 WeakPolarHBondContact O-CD1 3.49Å; Q95-L99 PolarHBondContact O-N 2.92Å; Q95-L99 VanDerWaalsContact OE1-CD1 3.29Å
100G44.9Very low55.6Low57 Ų57114.9 Ų114.959%0.58860%0.601SS**THydrogen-bonded Turntrans-96.8-11.2178.900000116E98E98-G100 PolarHBondContact O-N 3.23Å
101D48.6Very low53.5Low121 Ų121120.5 Ų120.565%0.64764%0.637SS**SBendtrans-11710.5-159.6-66.9-23.9000115.3E98E98-D101 PolarHBondContact O-N 3.35Å
102H43.7Very low51.5Low157 Ų157120.8 Ų120.873%0.72766%0.658SS**SBendtrans-116.42.3-175.6-61.4-39.5000116.1
103T44Very low49.6Very low137 Ų137119.8 Ų119.884%0.8466%0.661SS**SBendtrans-125.14.1-178180000115.5
104A39.6Very low48.2Very low88 Ų88123.4 Ų123.473%0.72768%0.678SS**  trans-119.850.7-179.800000112.3E106A104-E106 PolarHBondContact O-N 2.79Å
105M41.8Very low47.5Very low186 Ų186124.8 Ų124.892%0.91670%0.695SS**  trans-57.2136.8149.9-78.2-173.4177.500107.3
106E35.7Very low47.5Very low184 Ų184122.3 Ų122.386%0.8669%0.691SS**SBendtrans98.4120.3162.3-150.7161.6-173.500116.6A104A104-E106 PolarHBondContact O-N 2.79Å
107M39.5Very low47.8Very low159 Ų159124.6 Ų124.678%0.78370%0.704SS**  trans84110.5165.6-138.990171.600117.8
108Q43Very low47.9Very low142 Ų142123.9 Ų123.966%0.66471%0.705SS**  trans102.485.9137.1-136.6152.8-60.100119.8
109R45.7Very low48.1Very low217 Ų217123.8 Ų123.882%0.81971%0.714SS**  55.3111.9126.7-61.7177-170.5123.33118.9
110S38.1Very low48.4Very low108 Ų108124.4 Ų124.476%0.75571%0.707SS**  trans-12.5133.6142.8-49.40000116
111V50.6Low48.8Very low147 Ų147125.6 Ų125.689%0.89171%0.707SS**  trans15050.2137.8-69.50000114.2
112A52.5Low49.4Very low89 Ų89125.9 Ų125.974%0.73671%0.706SS**  trans-164.6103.5161.300000110
113S50.2Low50.5Low104 Ų104122.8 Ų122.873%0.72769%0.694SS**  98.511889.2-70.20000110.7S115S113-S115 PolarHBondContact O-N 3.29Å
114S55.4Low51.3Low129 Ų129119.2 Ų119.290%0.90267%0.67SS**THydrogen-bonded Turntrans-53.216.9179.1450000117G116S114-G116 VanDerWaalsContact C-N 3.33Å; S114-G116 PolarHBondContact O-N 3.31Å
115S55.9Low52.7Low89 Ų89124.2 Ų124.262%0.62267%0.67SS**THydrogen-bonded Turntrans-81.6-4.6-178.4-170.50000114.5S113 M117S113-S115 PolarHBondContact O-N 3.29Å; S115-M117 VanDerWaalsContact C-N 3.32Å; S115-M117 PolarHBondContact O-N 3.37Å
116G57.5Low54Low29 Ų29117.4 Ų117.430%0.29964%0.641SS.*Hα-helixtrans-68.8-20.3-170.800000115.4S114 R120S114-G116 VanDerWaalsContact C-N 3.33Å; S114-G116 PolarHBondContact O-N 3.31Å; G116-R120 VanDerWaalsContact C-NE 3.35Å; G116-R120 WeakPolarHBondContact O-CB 3.39Å; G116-R120 WeakPolarHBondContact O-CD 3.33Å; G116-R120 WeakPolarHBondContact O-CG 3.35Å; G116-R120 PolarHBondContact O-N 3.39Å; G116-R120 PolarHBondContact O-NE 2.97Å
117M56.2Low55.8Low145 Ų145111.9 Ų111.971%0.71462%0.619SS**Hα-helixtrans-77.1-35.1-173-65.2-179.668.400113.5S115 S121S115-M117 VanDerWaalsContact C-N 3.32Å; S115-M117 PolarHBondContact O-N 3.37Å; M117-S121 PolarHBondContact O-N 3.41Å
118I59.5Low57.7Low125 Ų125108.8 Ų108.864%0.64161%0.606SS**Hα-helixtrans-77.9-38.4177.7-53.4174.6000110.2R120 S121 M122I118-R120 VanDerWaalsContact C-N 3.3Å; I118-R120 PolarHBondContact O-N 2.95Å; I118-S121 PolarHBondContact O-N 2.99Å; I118-M122 HydrophobicContact CG2-CE 4.13Å; I118-M122 PolarHBondContact O-N 2.96Å
119A56.6Low59.6Low53 Ų53106.2 Ų106.244%0.43860%0.6SS.*Hα-helixtrans-60.3-39.2174.400000112.1S121 M122 N123A119-S121 PolarHBondContact O-N 3.47Å; A119-M122 PolarHBondContact O-N 3.06Å; A119-N123 WeakPolarHBondContact O-CB 3.33Å; A119-N123 PolarHBondContact O-N 3.39Å
120R56.7Low61.5Low146 Ų146100.7 Ų100.755%0.55159%0.587SS**Hα-helixtrans-62.1-40.9174.6-77.2177.8-95.8-153.4-1.9113.1G116 I118 N123 D124G116-R120 VanDerWaalsContact C-NE 3.35Å; G116-R120 WeakPolarHBondContact O-CB 3.39Å; G116-R120 WeakPolarHBondContact O-CD 3.33Å; G116-R120 WeakPolarHBondContact O-CG 3.35Å; G116-R120 PolarHBondContact O-N 3.39Å; G116-R120 PolarHBondContact O-NE 2.97Å; I118-R120 VanDerWaalsContact C-N 3.3Å; I118-R120 PolarHBondContact O-N 2.95Å; R120-N123 PolarHBondContact O-N 2.74Å; R120-D124 PolarHBondContact O-N 2.95Å
121S54.8Low63.8Low83 Ų8399.2 Ų99.258%0.5857%0.568SS**Hα-helixtrans-72.5-36.5179.3179.60000112.5M117 I118 A119 N123 D124 R125M117-S121 PolarHBondContact O-N 3.41Å; I118-S121 PolarHBondContact O-N 2.99Å; A119-S121 PolarHBondContact O-N 3.47Å; S121-N123 VanDerWaalsContact C-N 3.26Å; S121-D124 PolarHBondContact O-N 3.45Å; S121-R125 PolarHBondContact O-N 3.33Å
122M60.7Low65.6Low127 Ų12794.8 Ų94.863%0.62655%0.547SS*.Hα-helixtrans-65.1-34.2170.2-70.5-168.6-7500111.3I118 A119 S126I118-M122 HydrophobicContact CG2-CE 4.13Å; I118-M122 PolarHBondContact O-N 2.96Å; A119-M122 PolarHBondContact O-N 3.06Å; M122-S126 VanDerWaalsContact O-CB 3.32Å; M122-S126 WeakPolarHBondContact O-CB 3.38Å; M122-S126 PolarHBondContact O-N 3.35Å; M122-S126 PolarHBondContact O-OG 2.7Å
123N66Low67.5Low92 Ų9294.1 Ų94.149%0.49253%0.53SS..Hα-helixtrans-71.6-35.5176.8-157.846.8000113.3A119 R120 S121 S126 V127A119-N123 WeakPolarHBondContact O-CB 3.33Å; A119-N123 PolarHBondContact O-N 3.39Å; R120-N123 PolarHBondContact O-N 2.74Å; S121-N123 VanDerWaalsContact C-N 3.26Å; N123-S126 VanDerWaalsContact CA-OG 3.3Å; N123-S126 WeakPolarHBondContact CA-OG 3.2Å; N123-S126 PolarHBondContact O-N 3.45Å; N123-S126 PolarHBondContact O-OG 2.96Å; N123-S126 PolarHBondContact OD1-OG 3.2Å; N123-V127 VanDerWaalsContact O-CB 3.28Å; N123-V127 WeakPolarHBondContact O-CB 3.4Å; N123-V127 WeakPolarHBondContact O-CG2 3.25Å; N123-V127 PolarHBondContact O-N 3.05Å
124D60.4Low69.4Low62 Ų6295.6 Ų95.633%0.33252%0.52SS..Hα-helixtrans-64.3-46.2176-163.6-62.4000110.9H96 R120 S121 S126 V127 N128H96-D124 IonicContact CD2-OD2 2.76Å; H96-D124 IonicContact CE1-OD2 3.24Å; H96-D124 PolarHBondContact CE1-OD2 2.96Å; H96-D124 IonicContact CG-OD2 3.24Å; H96-D124 IonicContact ND1-OD2 3.77Å; H96-D124 PolarHBondContact ND1-OD2 3.42Å; H96-D124 IonicContact NE2-OD2 3.75Å; H96-D124 PolarHBondContact NE2-OD2 2.96Å; R120-D124 PolarHBondContact O-N 2.95Å; S121-D124 PolarHBondContact O-N 3.45Å; D124-S126 PolarHBondContact O-N 3.48Å; D124-V127 PolarHBondContact O-N 3.44Å; D124-N128 WeakPolarHBondContact O-CB 3.42Å; D124-N128 PolarHBondContact O-N 3.11Å; D124-N128 PolarHBondContact O-ND2 3.34Å; D124-N128 PolarHBondContact OD1-ND2 3.39Å
125R70.5Confident71.1Confident193 Ų19393.5 Ų93.573%0.72850%0.498SS*.Hα-helixtrans-66.7-37.6175.5-174.2172.6163.7-133.5-2.8111.8S121 V129S121-R125 PolarHBondContact O-N 3.33Å; R125-V129 HydrophobicContact CG-CG2 4.49Å; R125-V129 WeakPolarHBondContact O-CB 3.27Å; R125-V129 WeakPolarHBondContact O-CG2 3.49Å; R125-V129 PolarHBondContact O-N 2.85Å
126S69.1Low72.8Confident42 Ų4295 Ų9529%0.29450%0.495SS..Hα-helixtrans-68.9-39.8175.974.90000111.4M122 N123 D124 V129 N130M122-S126 VanDerWaalsContact O-CB 3.32Å; M122-S126 WeakPolarHBondContact O-CB 3.38Å; M122-S126 PolarHBondContact O-N 3.35Å; M122-S126 PolarHBondContact O-OG 2.7Å; N123-S126 VanDerWaalsContact CA-OG 3.3Å; N123-S126 WeakPolarHBondContact CA-OG 3.2Å; N123-S126 PolarHBondContact O-N 3.45Å; N123-S126 PolarHBondContact O-OG 2.96Å; N123-S126 PolarHBondContact OD1-OG 3.2Å; D124-S126 PolarHBondContact O-N 3.48Å; S126-V129 PolarHBondContact O-N 2.9Å; S126-N130 VanDerWaalsContact O-CB 3.31Å; S126-N130 WeakPolarHBondContact O-CB 3.34Å; S126-N130 PolarHBondContact O-N 2.98Å; S126-N130 PolarHBondContact O-ND2 3.33Å
127V73.1Confident74.3Confident68 Ų6898.5 Ų98.541%0.41251%0.505SS..Hα-helixtrans-64.1-42.6175170.50000110.3N123 D124 N130 E131N123-V127 VanDerWaalsContact O-CB 3.28Å; N123-V127 WeakPolarHBondContact O-CB 3.4Å; N123-V127 WeakPolarHBondContact O-CG2 3.25Å; N123-V127 PolarHBondContact O-N 3.05Å; D124-V127 PolarHBondContact O-N 3.44Å; V127-N130 PolarHBondContact O-N 2.89Å; V127-E131 VanDerWaalsContact O-CB 3.25Å; V127-E131 WeakPolarHBondContact O-CB 3.38Å; V127-E131 PolarHBondContact O-N 3.43Å
128N79.2Confident76Confident94 Ų9494.4 Ų94.450%0.50348%0.484SS..Hα-helixtrans-64.4-39.8174.9-69.5-38.3000112.5D124 A132D124-N128 WeakPolarHBondContact O-CB 3.42Å; D124-N128 PolarHBondContact O-N 3.11Å; D124-N128 PolarHBondContact O-ND2 3.34Å; D124-N128 PolarHBondContact OD1-ND2 3.39Å; N128-A132 VanDerWaalsContact O-CB 3.25Å; N128-A132 WeakPolarHBondContact O-CB 3.31Å; N128-A132 PolarHBondContact O-N 3.48Å
129V83.3Confident77.6Confident88 Ų8892.8 Ų92.853%0.53348%0.479SS..Hα-helixtrans-68.9-42.8176169.70000111.5R125 S126 E131 A132 L133R125-V129 HydrophobicContact CG-CG2 4.49Å; R125-V129 WeakPolarHBondContact O-CB 3.27Å; R125-V129 WeakPolarHBondContact O-CG2 3.49Å; R125-V129 PolarHBondContact O-N 2.85Å; S126-V129 PolarHBondContact O-N 2.9Å; V129-E131 VanDerWaalsContact C-N 3.35Å; V129-A132 PolarHBondContact O-N 3.49Å; V129-L133 WeakPolarHBondContact O-CB 3.12Å; V129-L133 PolarHBondContact O-N 3.2Å
130N85.3Confident79.2Confident102 Ų10295.5 Ų95.555%0.54548%0.483SS..Hα-helixtrans-64.4-40.5175.7-80-69.4000111.2S126 V127 L133 R134S126-N130 VanDerWaalsContact O-CB 3.31Å; S126-N130 WeakPolarHBondContact O-CB 3.34Å; S126-N130 PolarHBondContact O-N 2.98Å; S126-N130 PolarHBondContact O-ND2 3.33Å; V127-N130 PolarHBondContact O-N 2.89Å; N130-L133 PolarHBondContact O-N 3.27Å; N130-R134 WeakPolarHBondContact O-CB 3.49Å; N130-R134 PolarHBondContact O-N 3.37Å
131E86.7Confident80.8Confident76 Ų7695.6 Ų95.636%0.35548%0.483SS..Hα-helixtrans-66.6-41.7175-179.158.8-167.300111.3V127 V129 L133 R134 I135V127-E131 VanDerWaalsContact O-CB 3.25Å; V127-E131 WeakPolarHBondContact O-CB 3.38Å; V127-E131 PolarHBondContact O-N 3.43Å; V129-E131 VanDerWaalsContact C-N 3.35Å; E131-L133 VanDerWaalsContact C-N 3.35Å; E131-L133 PolarHBondContact O-N 3.13Å; E131-R134 WeakPolarHBondContact O-CB 3.33Å; E131-R134 PolarHBondContact O-N 2.87Å; E131-R134 IonicContact OE1-CZ 2.99Å; E131-R134 IonicContact OE1-NE 2.87Å; E131-R134 IonicContact OE1-NH2 3.72Å; E131-R134 PolarHBondContact OE1-NH2 3.49Å; E131-R134 IonicContact OE2-CZ 2.73Å; E131-R134 IonicContact OE2-NE 3.8Å; E131-R134 PolarHBondContact OE2-NE 3.22Å; E131-R134 IonicContact OE2-NH2 3.53Å; E131-I135 HydrophobicContact CG-CD1 4.04Å; E131-I135 WeakPolarHBondContact O-CB 3.32Å; E131-I135 VanDerWaalsContact O-CG1 3.27Å; E131-I135 WeakPolarHBondContact O-CG1 3.3Å; E131-I135 PolarHBondContact O-N 3.41Å
132A88.4Confident82.6Confident54 Ų5499.3 Ų99.345%0.44649%0.485SS..Hα-helixtrans-60.7-43.6173.700000111.8N128 V129 I135 Q136N128-A132 VanDerWaalsContact O-CB 3.25Å; N128-A132 WeakPolarHBondContact O-CB 3.31Å; N128-A132 PolarHBondContact O-N 3.48Å; V129-A132 PolarHBondContact O-N 3.49Å; A132-I135 PolarHBondContact O-N 2.85Å; A132-Q136 WeakPolarHBondContact O-CB 3.28Å; A132-Q136 PolarHBondContact O-N 3.03Å
133L92.7Very high84.1Confident75 Ų7597.6 Ų97.639%0.39348%0.478SS..Hα-helixtrans-62.7-43.2174.9-178.962.4000111.2V129 N130 E131 I135 Q136 M137V129-L133 WeakPolarHBondContact O-CB 3.12Å; V129-L133 PolarHBondContact O-N 3.2Å; N130-L133 PolarHBondContact O-N 3.27Å; E131-L133 VanDerWaalsContact C-N 3.35Å; E131-L133 PolarHBondContact O-N 3.13Å; L133-I135 PolarHBondContact O-N 2.84Å; L133-Q136 PolarHBondContact O-N 3Å; L133-M137 WeakPolarHBondContact O-CG 3.37Å; L133-M137 PolarHBondContact O-N 2.87Å
134R89.8Confident85.2Confident136 Ų13699.2 Ų99.251%0.51348%0.482SS..Hα-helixtrans-61.4-44.5176.6-167.5-169.87376.22.5111.7N130 E131 Q136 M137 E138N130-R134 WeakPolarHBondContact O-CB 3.49Å; N130-R134 PolarHBondContact O-N 3.37Å; E131-R134 WeakPolarHBondContact O-CB 3.33Å; E131-R134 PolarHBondContact O-N 2.87Å; E131-R134 IonicContact OE1-CZ 2.99Å; E131-R134 IonicContact OE1-NE 2.87Å; E131-R134 IonicContact OE1-NH2 3.72Å; E131-R134 PolarHBondContact OE1-NH2 3.49Å; E131-R134 IonicContact OE2-CZ 2.73Å; E131-R134 IonicContact OE2-NE 3.8Å; E131-R134 PolarHBondContact OE2-NE 3.22Å; E131-R134 IonicContact OE2-NH2 3.53Å; R134-Q136 VanDerWaalsContact C-N 3.34Å; R134-M137 PolarHBondContact O-N 3.34Å; R134-E138 PolarHBondContact O-N 2.81Å
135I91Very high86.7Confident85 Ų8597.8 Ų97.844%0.43648%0.482SS..Hα-helixtrans-61.7-44.7175.2-69.8167.3000109.9E131 A132 L133 M137 E138 V139E131-I135 HydrophobicContact CG-CD1 4.04Å; E131-I135 WeakPolarHBondContact O-CB 3.32Å; E131-I135 VanDerWaalsContact O-CG1 3.27Å; E131-I135 WeakPolarHBondContact O-CG1 3.3Å; E131-I135 PolarHBondContact O-N 3.41Å; A132-I135 PolarHBondContact O-N 2.85Å; L133-I135 PolarHBondContact O-N 2.84Å; I135-M137 PolarHBondContact O-N 3.26Å; I135-E138 PolarHBondContact O-N 2.83Å; I135-V139 HydrophobicContact CG2-CG2 4.39Å; I135-V139 WeakPolarHBondContact O-CG2 3.31Å; I135-V139 PolarHBondContact O-N 2.8Å
136Q90.9Very high87.6Confident121 Ų12195 Ų9557%0.56548%0.477SS*.Hα-helixtrans-62-43.7178.6-173.1174.4-3.400112.1A132 L133 R134 E138 V139 Q140A132-Q136 WeakPolarHBondContact O-CB 3.28Å; A132-Q136 PolarHBondContact O-N 3.03Å; L133-Q136 PolarHBondContact O-N 3Å; R134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-E138 VanDerWaalsContact C-N 3.31Å; Q136-E138 PolarHBondContact O-N 3.18Å; Q136-V139 PolarHBondContact O-N 3.35Å; Q136-Q140 WeakPolarHBondContact O-CB 3.25Å; Q136-Q140 PolarHBondContact O-N 2.92Å
137M90.2Very high88.7Confident102 Ų10296.2 Ų96.250%0.50248%0.48SS..Hα-helixtrans-61.6-38.2174.7-70.6-179.279.100112.2L133 R134 I135 R141L133-M137 WeakPolarHBondContact O-CG 3.37Å; L133-M137 PolarHBondContact O-N 2.87Å; R134-M137 PolarHBondContact O-N 3.34Å; I135-M137 PolarHBondContact O-N 3.26Å; M137-R141 WeakPolarHBondContact O-CB 3.4Å; M137-R141 PolarHBondContact O-N 3.13Å
138E91.8Very high89.6Confident59 Ų5999 Ų9928%0.27649%0.488SS..Hα-helixtrans-69.8-40.9177.5-179.660.4-167.200112.1R134 I135 Q136 Q140 R141 R142R134-E138 PolarHBondContact O-N 2.81Å; I135-E138 PolarHBondContact O-N 2.83Å; Q136-E138 VanDerWaalsContact C-N 3.31Å; Q136-E138 PolarHBondContact O-N 3.18Å; E138-Q140 VanDerWaalsContact C-N 3.35Å; E138-R141 PolarHBondContact O-N 2.83Å; E138-R141 IonicContact OE2-NE 3.27Å; E138-R141 PolarHBondContact OE2-NE 3.34Å; E138-R142 WeakPolarHBondContact O-CG 3.28Å; E138-R142 PolarHBondContact O-N 2.93Å; E138-R142 IonicContact OE1-CZ 3.51Å; E138-R142 IonicContact OE1-NE 3.55Å; E138-R142 PolarHBondContact OE1-NE 2.84Å; E138-R142 IonicContact OE1-NH2 2.8Å; E138-R142 PolarHBondContact OE1-NH2 3.43Å; E138-R142 VanDerWaalsContact OE1-NH2 3.13Å
139V93.5Very high90.3Very high90 Ų9099.4 Ų99.455%0.54549%0.494SS..Hα-helixtrans-60.6-46.3173.8171.10000110.4I135 Q136 R141 R142 L143I135-V139 HydrophobicContact CG2-CG2 4.39Å; I135-V139 WeakPolarHBondContact O-CG2 3.31Å; I135-V139 PolarHBondContact O-N 2.8Å; Q136-V139 PolarHBondContact O-N 3.35Å; V139-R141 VanDerWaalsContact C-N 3.35Å; V139-R141 PolarHBondContact O-N 2.99Å; V139-R142 PolarHBondContact O-N 3.33Å; V139-L143 WeakPolarHBondContact O-CB 3.31Å; V139-L143 PolarHBondContact O-N 2.96Å
140Q88.4Confident90.9Very high111 Ų111100.7 Ų100.752%0.51949%0.494SS..Hα-helixtrans-62.2-41.4177.6-171.7177.11.700111.9Q136 E138 L143 H144Q136-Q140 WeakPolarHBondContact O-CB 3.25Å; Q136-Q140 PolarHBondContact O-N 2.92Å; E138-Q140 VanDerWaalsContact C-N 3.35Å; Q140-L143 PolarHBondContact O-N 2.73Å; Q140-H144 WeakPolarHBondContact O-CB 3.42Å; Q140-H144 PolarHBondContact O-N 3.32Å
141R91.7Very high91.2Very high147 Ų147101.6 Ų101.656%0.55549%0.493SS*.Hα-helixtrans-62.5-43.9176.8-170-168.1-38.3-67.9-8.9112.3M137 E138 V139 H144 G145M137-R141 WeakPolarHBondContact O-CB 3.4Å; M137-R141 PolarHBondContact O-N 3.13Å; E138-R141 PolarHBondContact O-N 2.83Å; E138-R141 IonicContact OE2-NE 3.27Å; E138-R141 PolarHBondContact OE2-NE 3.34Å; V139-R141 VanDerWaalsContact C-N 3.35Å; V139-R141 PolarHBondContact O-N 2.99Å; R141-H144 PolarHBondContact O-N 2.79Å; R141-G145 PolarHBondContact O-N 3.33Å
142R91.7Very high91.6Very high161 Ų161103.1 Ų103.161%0.60850%0.5SS*.Hα-helixtrans-64.6-47178-72.3178.3-173.4-162.41.2111.5E138 V139 H144 G145 E146E138-R142 WeakPolarHBondContact O-CG 3.28Å; E138-R142 PolarHBondContact O-N 2.93Å; E138-R142 IonicContact OE1-CZ 3.51Å; E138-R142 IonicContact OE1-NE 3.55Å; E138-R142 PolarHBondContact OE1-NE 2.84Å; E138-R142 IonicContact OE1-NH2 2.8Å; E138-R142 PolarHBondContact OE1-NH2 3.43Å; E138-R142 VanDerWaalsContact OE1-NH2 3.13Å; V139-R142 PolarHBondContact O-N 3.33Å; R142-H144 VanDerWaalsContact C-N 3.27Å; R142-H144 PolarHBondContact O-N 2.75Å; R142-G145 PolarHBondContact O-N 3.47Å; R142-E146 PolarHBondContact O-N 2.9Å
143L92.2Very high92Very high92 Ų92104.4 Ų104.448%0.48250%0.499SS..Hα-helixtrans-59.2-41.2177.1-172.869.4000111.3V139 Q140 E146 L147 M228V139-L143 WeakPolarHBondContact O-CB 3.31Å; V139-L143 PolarHBondContact O-N 2.96Å; Q140-L143 PolarHBondContact O-N 2.73Å; L143-E146 PolarHBondContact O-N 3.37Å; L143-L147 WeakPolarHBondContact O-CB 3.42Å; L143-L147 PolarHBondContact O-N 2.99Å; L143-M228 HydrophobicContact CD2-CE 4.49Å
144H90.5Very high92.1Very high126 Ų126104.3 Ų104.358%0.58350%0.496SS*.Hα-helixtrans-62.5-45.5176.3-171.678000112.2Q140 R141 R142 L147 E148Q140-H144 WeakPolarHBondContact O-CB 3.42Å; Q140-H144 PolarHBondContact O-N 3.32Å; R141-H144 PolarHBondContact O-N 2.79Å; R142-H144 VanDerWaalsContact C-N 3.27Å; R142-H144 PolarHBondContact O-N 2.75Å; H144-L147 PolarHBondContact O-N 3.49Å; H144-E148 PolarHBondContact O-N 3.38Å
145G90.3Very high92.2Very high31 Ų31102.4 Ų102.432%0.3250%0.495SS..Hα-helixtrans-62.9-42.317700000113.1R141 R142 L147 E148 V149R141-G145 PolarHBondContact O-N 3.33Å; R142-G145 PolarHBondContact O-N 3.47Å; G145-L147 VanDerWaalsContact C-N 3.32Å; G145-L147 PolarHBondContact O-N 2.81Å; G145-E148 PolarHBondContact O-N 3.24Å; G145-V149 WeakPolarHBondContact O-CG2 3.06Å; G145-V149 PolarHBondContact O-N 3.24Å
146E91.1Very high92.4Very high136 Ų136105.9 Ų105.964%0.63650%0.502SS*.Hα-helixtrans-63.2-39.6175.9-72.8-177.4162.300112R142 L143 V149 Q150R142-E146 PolarHBondContact O-N 2.9Å; L143-E146 PolarHBondContact O-N 3.37Å; E146-V149 PolarHBondContact O-N 2.78Å; E146-Q150 WeakPolarHBondContact O-CB 3.5Å; E146-Q150 PolarHBondContact O-N 2.87Å
147L91.7Very high92.5Very high67 Ų67103.8 Ų103.835%0.35150%0.498SS..Hα-helixtrans-66.5-41.2177.4-161.8157.3000111.4L143 H144 G145 V149 Q150 K151 L225L143-L147 WeakPolarHBondContact O-CB 3.42Å; L143-L147 PolarHBondContact O-N 2.99Å; H144-L147 PolarHBondContact O-N 3.49Å; G145-L147 VanDerWaalsContact C-N 3.32Å; G145-L147 PolarHBondContact O-N 2.81Å; L147-V149 VanDerWaalsContact C-N 3.34Å; L147-V149 PolarHBondContact O-N 2.87Å; L147-Q150 WeakPolarHBondContact O-CB 3.36Å; L147-Q150 PolarHBondContact O-N 3.04Å; L147-K151 WeakPolarHBondContact O-CB 3.49Å; L147-K151 PolarHBondContact O-N 3.4Å; L147-L225 HydrophobicContact CD1-CD1 3.67Å; L147-L225 HydrophobicContact CD2-CD1 3.38Å; L147-L225 HydrophobicContact CG-CD1 4.19Å
148E92.1Very high92.7Very high126 Ų126103.1 Ų103.159%0.58949%0.493SS*.Hα-helixtrans-62.6-40.7176-172.6168.3-144.900112.1H144 G145 K151 H152H144-E148 PolarHBondContact O-N 3.38Å; G145-E148 PolarHBondContact O-N 3.24Å; E148-K151 PolarHBondContact O-N 3.46Å; E148-H152 PolarHBondContact O-N 3.02Å
149V94.2Very high92.8Very high102 Ų102103.1 Ų103.162%0.61850%0.504SS*.Hα-helixtrans-61.9-44.7172.6172.30000110.9G145 E146 L147 K151 H152 L153G145-V149 WeakPolarHBondContact O-CG2 3.06Å; G145-V149 PolarHBondContact O-N 3.24Å; E146-V149 PolarHBondContact O-N 2.78Å; L147-V149 VanDerWaalsContact C-N 3.34Å; L147-V149 PolarHBondContact O-N 2.87Å; V149-K151 VanDerWaalsContact C-N 3.35Å; V149-K151 PolarHBondContact O-N 3.05Å; V149-H152 PolarHBondContact O-N 3.13Å; V149-L153 WeakPolarHBondContact O-CB 3.19Å; V149-L153 PolarHBondContact O-N 3.25Å
150Q94Very high92.9Very high115 Ų115105.3 Ų105.354%0.53751%0.508SS..Hα-helixtrans-61.9-41.8177.5-174.263.12400111.7E146 L147 L153 Q154E146-Q150 WeakPolarHBondContact O-CB 3.5Å; E146-Q150 PolarHBondContact O-N 2.87Å; L147-Q150 WeakPolarHBondContact O-CB 3.36Å; L147-Q150 PolarHBondContact O-N 3.04Å; Q150-L153 PolarHBondContact O-N 3.04Å; Q150-Q154 WeakPolarHBondContact O-CB 3.07Å; Q150-Q154 PolarHBondContact O-N 3.19Å
151K92.4Very high93.2Very high122 Ų122101.2 Ų101.253%0.5350%0.496SS..Hα-helixtrans-62-46.1174.9-179.2-176.9178.1179.30111.5L147 E148 V149 L153 Q154 M155L147-K151 WeakPolarHBondContact O-CB 3.49Å; L147-K151 PolarHBondContact O-N 3.4Å; E148-K151 PolarHBondContact O-N 3.46Å; V149-K151 VanDerWaalsContact C-N 3.35Å; V149-K151 PolarHBondContact O-N 3.05Å; K151-L153 VanDerWaalsContact C-N 3.33Å; K151-L153 PolarHBondContact O-N 3.27Å; K151-Q154 WeakPolarHBondContact O-CB 3.4Å; K151-Q154 PolarHBondContact O-N 3.47Å; K151-M155 WeakPolarHBondContact O-CG 3.48Å; K151-M155 PolarHBondContact O-N 3.15Å
152H95Very high93.4Very high107 Ų107100.9 Ų100.950%0.49550%0.498SS..Hα-helixtrans-63.4-41.4178.1-173.977.7000111.8E148 V149 M155 R156E148-H152 PolarHBondContact O-N 3.02Å; V149-H152 PolarHBondContact O-N 3.13Å; H152-M155 HydrophobicContact CB-CE 4.49Å; H152-M155 PolarHBondContact O-N 3.37Å; H152-R156 WeakPolarHBondContact O-CG 3.21Å; H152-R156 PolarHBondContact O-N 3.19Å; H152-R156 VanDerWaalsContact O-N 3.14Å
153L96.3Very high93.6Very high81 Ų81100.5 Ų100.542%0.42450%0.498SS..Hα-helixtrans-61.6-45.1174.9-177.561.2000111.4V149 Q150 K151 M155 R156 V157V149-L153 WeakPolarHBondContact O-CB 3.19Å; V149-L153 PolarHBondContact O-N 3.25Å; Q150-L153 PolarHBondContact O-N 3.04Å; K151-L153 VanDerWaalsContact C-N 3.33Å; K151-L153 PolarHBondContact O-N 3.27Å; L153-M155 PolarHBondContact O-N 3.03Å; L153-R156 WeakPolarHBondContact O-CB 3.4Å; L153-R156 PolarHBondContact O-N 3.39Å; L153-R156 VanDerWaalsContact O-N 3.13Å; L153-V157 WeakPolarHBondContact O-CG2 3.45Å; L153-V157 PolarHBondContact O-N 3.4Å
154Q94.7Very high93.8Very high73 Ų73101.9 Ų101.934%0.34150%0.503SS..Hα-helixtrans-57.4-48.2176.4-179.461.536.900111.6Q150 K151 R156 V157 E158Q150-Q154 WeakPolarHBondContact O-CB 3.07Å; Q150-Q154 PolarHBondContact O-N 3.19Å; K151-Q154 WeakPolarHBondContact O-CB 3.4Å; K151-Q154 PolarHBondContact O-N 3.47Å; Q154-R156 VanDerWaalsContact C-N 3.25Å; Q154-R156 PolarHBondContact O-N 3.2Å; Q154-V157 PolarHBondContact O-N 2.95Å; Q154-V157 VanDerWaalsContact O-N 3.15Å; Q154-E158 WeakPolarHBondContact CG-OE1 3.42Å; Q154-E158 PolarHBondContact NE2-OE1 3.5Å; Q154-E158 WeakPolarHBondContact O-CG 3.37Å; Q154-E158 PolarHBondContact O-N 3.44Å
155M93.1Very high94Very high96 Ų96102.3 Ų102.347%0.47351%0.505SS..Hα-helixtrans-58-37.2176.4-71.6-168.9-65.900112.6K151 H152 L153 A159K151-M155 WeakPolarHBondContact O-CG 3.48Å; K151-M155 PolarHBondContact O-N 3.15Å; H152-M155 HydrophobicContact CB-CE 4.49Å; H152-M155 PolarHBondContact O-N 3.37Å; L153-M155 PolarHBondContact O-N 3.03Å; M155-A159 WeakPolarHBondContact O-CB 3.09Å; M155-A159 PolarHBondContact O-N 3.39Å
156R95Very high94.2Very high158 Ų158102.8 Ų102.860%0.59650%0.504SS*.Hα-helixtrans-68.6-41.7177.1-71178.763-156.9-2.8112.3H152 L153 Q154 E158 A159 Q160H152-R156 WeakPolarHBondContact O-CG 3.21Å; H152-R156 PolarHBondContact O-N 3.19Å; H152-R156 VanDerWaalsContact O-N 3.14Å; L153-R156 WeakPolarHBondContact O-CB 3.4Å; L153-R156 PolarHBondContact O-N 3.39Å; L153-R156 VanDerWaalsContact O-N 3.13Å; Q154-R156 VanDerWaalsContact C-N 3.25Å; Q154-R156 PolarHBondContact O-N 3.2Å; R156-E158 VanDerWaalsContact C-N 3.34Å; R156-A159 PolarHBondContact O-N 3.19Å; R156-Q160 WeakPolarHBondContact O-CB 3.13Å; R156-Q160 PolarHBondContact O-N 3.47Å
157V93.7Very high94.4Very high78 Ų78100.1 Ų100.147%0.47349%0.493SS..Hα-helixtrans-62.6-43.6175.5172.70000110.2L153 Q154 Q160 G161L153-V157 WeakPolarHBondContact O-CG2 3.45Å; L153-V157 PolarHBondContact O-N 3.4Å; Q154-V157 PolarHBondContact O-N 2.95Å; Q154-V157 VanDerWaalsContact O-N 3.15Å; V157-Q160 PolarHBondContact O-N 2.99Å; V157-G161 PolarHBondContact O-N 3.29Å
158E93.8Very high94.5Very high87 Ų87100.3 Ų100.341%0.40750%0.497SS..Hα-helixtrans-62.8-44.1176.1-74.1174.7-161.100112.6Q154 R156 Q160 G161 K162Q154-E158 WeakPolarHBondContact CG-OE1 3.42Å; Q154-E158 PolarHBondContact NE2-OE1 3.5Å; Q154-E158 WeakPolarHBondContact O-CG 3.37Å; Q154-E158 PolarHBondContact O-N 3.44Å; R156-E158 VanDerWaalsContact C-N 3.34Å; E158-Q160 VanDerWaalsContact C-N 3.32Å; E158-Q160 PolarHBondContact O-N 3.41Å; E158-G161 PolarHBondContact O-N 3Å; E158-K162 WeakPolarHBondContact O-CG 3.38Å; E158-K162 PolarHBondContact O-N 2.94Å
159A94.4Very high94.6Very high60 Ų6099.9 Ų99.950%0.49650%0.495SS..Hα-helixtrans-61.1-42.4176.400000111.7M155 R156 K162 Y163M155-A159 WeakPolarHBondContact O-CB 3.09Å; M155-A159 PolarHBondContact O-N 3.39Å; R156-A159 PolarHBondContact O-N 3.19Å; A159-K162 PolarHBondContact O-N 3.31Å; A159-Y163 WeakPolarHBondContact O-CB 3.49Å; A159-Y163 PolarHBondContact O-N 3.24Å
160Q95.4Very high94.5Very high136 Ų136102 Ų10264%0.63650%0.496SS*.Hα-helixtrans-64.9-41.7175.6-174-177.5-9.600111.8R156 V157 E158 Y163 M164R156-Q160 WeakPolarHBondContact O-CB 3.13Å; R156-Q160 PolarHBondContact O-N 3.47Å; V157-Q160 PolarHBondContact O-N 2.99Å; E158-Q160 VanDerWaalsContact C-N 3.32Å; E158-Q160 PolarHBondContact O-N 3.41Å; Q160-Y163 PolarHBondContact O-N 3.47Å; Q160-M164 PolarHBondContact O-N 3.36Å
161G94.8Very high94.4Very high25 Ų2599 Ų9926%0.25849%0.491SS..Hα-helixtrans-59.2-47.2175.100000112.1V157 E158 Y163 M164 Q165V157-G161 PolarHBondContact O-N 3.29Å; E158-G161 PolarHBondContact O-N 3Å; G161-Y163 PolarHBondContact O-N 2.91Å; G161-M164 PolarHBondContact O-N 3.22Å; G161-Q165 WeakPolarHBondContact O-CG 3.35Å; G161-Q165 PolarHBondContact O-N 3.44Å
162K95.4Very high94.2Very high140 Ų140101.2 Ų101.261%0.60950%0.497SS*.Hα-helixtrans-62-41.5175.1-72.6176-179.5173.80112.3E158 A159 Q165 S166E158-K162 WeakPolarHBondContact O-CG 3.38Å; E158-K162 PolarHBondContact O-N 2.94Å; A159-K162 PolarHBondContact O-N 3.31Å; K162-Q165 PolarHBondContact O-N 3.41Å; K162-S166 PolarHBondContact O-N 3.33Å
163Y96.1Very high94Very high153 Ų153101.1 Ų101.160%0.650%0.496SS*.Hα-helixtrans-61-47.9175.6174.4-112.2000111.6A159 Q160 G161 Q165 S166 I167A159-Y163 WeakPolarHBondContact O-CB 3.49Å; A159-Y163 PolarHBondContact O-N 3.24Å; Q160-Y163 PolarHBondContact O-N 3.47Å; G161-Y163 PolarHBondContact O-N 2.91Å; Y163-Q165 PolarHBondContact O-N 3.31Å; Y163-S166 PolarHBondContact O-N 3.16Å; Y163-S166 VanDerWaalsContact O-N 3.16Å; Y163-S166 PolarHBondContact O-OG 3.02Å; Y163-I167 HydrophobicContact CD1-CD1 3.77Å; Y163-I167 HydrophobicContact CD2-CD1 4.39Å; Y163-I167 HydrophobicContact CE1-CD1 3.25Å; Y163-I167 HydrophobicContact CE1-CG1 4.33Å; Y163-I167 HydrophobicContact CE2-CD1 3.94Å; Y163-I167 HydrophobicContact CE2-CG1 4.19Å; Y163-I167 HydrophobicContact CG-CD1 4.32Å; Y163-I167 WeakPolarHBondContact O-CG1 3.39Å; Y163-I167 PolarHBondContact O-N 3.34Å
164M95.9Very high93.5Very high121 Ų121100.7 Ų100.760%0.59651%0.505SS*.Hα-helixtrans-62.2-43.3177.4-173.8172.363.600111.9Q160 G161 S166 I167 V168Q160-M164 PolarHBondContact O-N 3.36Å; G161-M164 PolarHBondContact O-N 3.22Å; M164-S166 VanDerWaalsContact C-N 3.3Å; M164-S166 PolarHBondContact O-N 2.94Å; M164-I167 PolarHBondContact O-N 2.84Å; M164-V168 WeakPolarHBondContact O-CG2 3.32Å; M164-V168 PolarHBondContact O-N 3.22Å
165Q94.7Very high92.9Very high134 Ų134103.7 Ų103.763%0.62652%0.522SS*.Hα-helixtrans-55.4-45.4172.6-75.6173.23.800111.3G161 K162 Y163 I167 V168 E169G161-Q165 WeakPolarHBondContact O-CG 3.35Å; G161-Q165 PolarHBondContact O-N 3.44Å; K162-Q165 PolarHBondContact O-N 3.41Å; Y163-Q165 PolarHBondContact O-N 3.31Å; Q165-I167 VanDerWaalsContact C-N 3.35Å; Q165-I167 PolarHBondContact O-N 2.79Å; Q165-V168 PolarHBondContact O-N 3.39Å; Q165-E169 WeakPolarHBondContact O-CB 3.29Å; Q165-E169 PolarHBondContact O-N 3.06Å
166S94.4Very high91.7Very high42 Ų42102.4 Ų102.429%0.29453%0.534SS..Hα-helixtrans-64.9-34.8179.480.40000113.6K162 Y163 M164 K170K162-S166 PolarHBondContact O-N 3.33Å; Y163-S166 PolarHBondContact O-N 3.16Å; Y163-S166 VanDerWaalsContact O-N 3.16Å; Y163-S166 PolarHBondContact O-OG 3.02Å; M164-S166 VanDerWaalsContact C-N 3.3Å; M164-S166 PolarHBondContact O-N 2.94Å; S166-K170 WeakPolarHBondContact O-CB 3.44Å; S166-K170 VanDerWaalsContact O-CG 3.27Å; S166-K170 WeakPolarHBondContact O-CG 3.45Å; S166-K170 PolarHBondContact O-N 2.98Å
167I94.7Very high90Very high80 Ų8099.6 Ų99.641%0.4154%0.538SS..Hα-helixtrans-67.3-46.9175.9-67.4163.2000109.8Y163 M164 Q165 K170 A171Y163-I167 HydrophobicContact CD1-CD1 3.77Å; Y163-I167 HydrophobicContact CD2-CD1 4.39Å; Y163-I167 HydrophobicContact CE1-CD1 3.25Å; Y163-I167 HydrophobicContact CE1-CG1 4.33Å; Y163-I167 HydrophobicContact CE2-CD1 3.94Å; Y163-I167 HydrophobicContact CE2-CG1 4.19Å; Y163-I167 HydrophobicContact CG-CD1 4.32Å; Y163-I167 WeakPolarHBondContact O-CG1 3.39Å; Y163-I167 PolarHBondContact O-N 3.34Å; M164-I167 PolarHBondContact O-N 2.84Å; Q165-I167 VanDerWaalsContact C-N 3.35Å; Q165-I167 PolarHBondContact O-N 2.79Å; I167-K170 PolarHBondContact O-N 2.76Å; I167-A171 WeakPolarHBondContact O-CB 3.42Å; I167-A171 PolarHBondContact O-N 3Å
168V94.9Very high88.1Confident71 Ų71100.1 Ų100.143%0.4355%0.546SS..Hα-helixtrans-62.5-46.3179.8171.60000110.1M164 Q165 K170 A171 Y172M164-V168 WeakPolarHBondContact O-CG2 3.32Å; M164-V168 PolarHBondContact O-N 3.22Å; Q165-V168 PolarHBondContact O-N 3.39Å; V168-K170 PolarHBondContact O-N 3.45Å; V168-A171 WeakPolarHBondContact O-CB 3.27Å; V168-A171 PolarHBondContact O-N 3.39Å; V168-Y172 HydrophobicContact CG1-CD2 3.62Å; V168-Y172 HydrophobicContact CG1-CE2 3.35Å; V168-Y172 WeakPolarHBondContact O-CD2 3.45Å; V168-Y172 PolarHBondContact O-N 3.36Å
169E93.2Very high86Confident116 Ų116103.8 Ų103.854%0.54257%0.568SS.*Hα-helixtrans-61-44.7178.1-163.5-171.1168.100112.3Q165 A171 Y172 Q173Q165-E169 WeakPolarHBondContact O-CB 3.29Å; Q165-E169 PolarHBondContact O-N 3.06Å; E169-A171 VanDerWaalsContact C-N 3.32Å; E169-A171 PolarHBondContact O-N 3.25Å; E169-Y172 PolarHBondContact O-N 3.46Å; E169-Q173 WeakPolarHBondContact O-CG 3.39Å; E169-Q173 PolarHBondContact O-N 3.35Å; E169-Q173 PolarHBondContact OE1-NE2 3.22Å
170K92.3Very high83.8Confident148 Ų148106.6 Ų106.664%0.64358%0.582SS**Hα-helixtrans-62.6-37.6174.8-77.3179.1179.5176.90112.6S166 I167 V168 Q173 A174S166-K170 WeakPolarHBondContact O-CB 3.44Å; S166-K170 VanDerWaalsContact O-CG 3.27Å; S166-K170 WeakPolarHBondContact O-CG 3.45Å; S166-K170 PolarHBondContact O-N 2.98Å; I167-K170 PolarHBondContact O-N 2.76Å; V168-K170 PolarHBondContact O-N 3.45Å; K170-Q173 PolarHBondContact O-N 3.38Å; K170-A174 WeakPolarHBondContact O-CB 3.48Å; K170-A174 PolarHBondContact O-N 3.41Å
171A92Very high81.3Confident51 Ų51104.1 Ų104.142%0.42159%0.586SS.*Hα-helixtrans-65-43175.300000111.3I167 V168 E169 A174 L175I167-A171 WeakPolarHBondContact O-CB 3.42Å; I167-A171 PolarHBondContact O-N 3Å; V168-A171 WeakPolarHBondContact O-CB 3.27Å; V168-A171 PolarHBondContact O-N 3.39Å; E169-A171 VanDerWaalsContact C-N 3.32Å; E169-A171 PolarHBondContact O-N 3.25Å; A171-A174 PolarHBondContact O-N 3.41Å; A171-L175 VanDerWaalsContact O-CG 3.29Å; A171-L175 WeakPolarHBondContact O-CG 3.37Å; A171-L175 PolarHBondContact O-N 3.26Å
172Y89.5Confident78.9Confident168 Ų168109.1 Ų109.166%0.65961%0.611SS**Hα-helixtrans-63.7-42.6174.6-79.9-69.6000112.5V168 E169 A174 L175 G176V168-Y172 HydrophobicContact CG1-CD2 3.62Å; V168-Y172 HydrophobicContact CG1-CE2 3.35Å; V168-Y172 WeakPolarHBondContact O-CD2 3.45Å; V168-Y172 PolarHBondContact O-N 3.36Å; E169-Y172 PolarHBondContact O-N 3.46Å; Y172-A174 PolarHBondContact O-N 3.39Å; Y172-L175 PolarHBondContact O-N 2.8Å; Y172-G176 PolarHBondContact O-N 3.46Å
173Q89.1Confident76.8Confident105 Ų105113.6 Ų113.649%0.49162%0.624SS.*Hα-helixtrans-64.6-38176.6-70.8177.44000112.3E169 K170 L175 G176 S177E169-Q173 WeakPolarHBondContact O-CG 3.39Å; E169-Q173 PolarHBondContact O-N 3.35Å; E169-Q173 PolarHBondContact OE1-NE2 3.22Å; K170-Q173 PolarHBondContact O-N 3.38Å; Q173-L175 VanDerWaalsContact C-N 3.33Å; Q173-G176 PolarHBondContact O-N 3.06Å; Q173-S177 WeakPolarHBondContact O-CB 3.36Å; Q173-S177 PolarHBondContact O-N 3.18Å; Q173-S177 PolarHBondContact O-OG 2.79Å
174A86.9Confident74.6Confident72 Ų72111.6 Ų111.660%0.59563%0.63SS**Hα-helixtrans-66.9-32.9175.600000112.7K170 A171 Y172K170-A174 WeakPolarHBondContact O-CB 3.48Å; K170-A174 PolarHBondContact O-N 3.41Å; A171-A174 PolarHBondContact O-N 3.41Å; Y172-A174 PolarHBondContact O-N 3.39Å
175L81.5Confident72.1Confident136 Ų136111.1 Ų111.171%0.71265%0.645SS**Hα-helixtrans-77-37.3174.8-69.6166.6000112.3A171 Y172 Q173A171-L175 VanDerWaalsContact O-CG 3.29Å; A171-L175 WeakPolarHBondContact O-CG 3.37Å; A171-L175 PolarHBondContact O-N 3.26Å; Y172-L175 PolarHBondContact O-N 2.8Å; Q173-L175 VanDerWaalsContact C-N 3.33Å
176G69.1Low69.8Low69 Ų69107.9 Ų107.971%0.71165%0.648SS**Hα-helixtrans-79.5-15.6-17900000115.1Y172 Q173Y172-G176 PolarHBondContact O-N 3.46Å; Q173-G176 PolarHBondContact O-N 3.06Å
177S59.5Low67.9Low99 Ų99116 Ų11669%0.69267%0.674SS**THydrogen-bonded Turntrans-95.46.6178.7-53.50000113.7Q173 D179Q173-S177 WeakPolarHBondContact O-CB 3.36Å; Q173-S177 PolarHBondContact O-N 3.18Å; Q173-S177 PolarHBondContact O-OG 2.79Å; S177-D179 PolarHBondContact O-N 3.33Å
178S53.3Low65.6Low90 Ų90123.5 Ų123.563%0.62970%0.697SS**  trans-93.970.7-1771800000112.6
179D50Low62.9Low163 Ų163126.7 Ų126.787%0.87272%0.717SS**SBendtrans-89.9107.5139.5-83.8-37.2000107.9S177S177-D179 PolarHBondContact O-N 3.33Å
180C46.8Very low60.6Low119 Ų119129.5 Ų129.580%0.80474%0.735SS**SBendtrans64.2113.1155.7-159.40000120.5
181A43.4Very low58.2Low85 Ų85125.8 Ų125.870%0.70274%0.738SS**  trans88.4128.7144.600000120.6
182T44.6Very low55.9Low129 Ų129128.6 Ų128.679%0.79176%0.755SS**  trans9770.8159-35.30000116.4
183W50.9Low53.3Low235 Ų235129.1 Ų129.189%0.8976%0.763SS**  trans-70.9127149.1-70.689.8000108.5A185W183-A185 PolarHBondContact O-N 2.79Å; W183-A185 VanDerWaalsContact O-N 3.17Å
184P50.2Low51Low110 Ų110127.4 Ų127.471%0.71477%0.774SS**  trans-69.5115168.726.5-27.8000108.6G186P184-G186 PolarHBondContact O-N 3.46Å
185A43.9Very low48.9Very low111 Ų111129.1 Ų129.192%0.91778%0.777SS**  trans-52.1108169.900000110.3W183W183-A185 PolarHBondContact O-N 2.79Å; W183-A185 VanDerWaalsContact O-N 3.17Å
186G45.2Very low47.2Very low67 Ų67130.1 Ų130.169%0.69178%0.782SS**  trans-139-8-173.100000116.9P184P184-G186 PolarHBondContact O-N 3.46Å
187Y54.4Low45.8Very low212 Ų212133.3 Ų133.383%0.83178%0.783SS**SBendtrans-135.1116.717646.4-89.2000110.9
188R47.3Very low44.9Very low238 Ų238135.8 Ų135.890%0.89879%0.786SS**  trans-69132.7-177.9-64.7-156.7-84.4-103.76.3110.8
189T37.5Very low44.1Very low138 Ų138134.5 Ų134.585%0.84779%0.788SS**  18.3110129.5-58.50000116.6
190L45.2Very low43.5Very low175 Ų175133.6 Ų133.692%0.91679%0.788SS**  trans-157.8123.1136.4-169.564.7000110.6
191G42.3Very low43.3Very low69 Ų69132.7 Ų132.771%0.71178%0.783SS**  trans98.475.2143.200000118.6
192S42.6Very low43Very low111 Ų111134.5 Ų134.578%0.77679%0.791SS**  trans-4.5134.3143-92.70000120.7
193Q35.1Very low43Very low179 Ų179134 Ų13484%0.83679%0.788SS**  trans82.6113.2131.7-135.981.840.300120.3
194G41.5Very low42.3Very low69 Ų69128 Ų12871%0.71178%0.782SS**  trans150.976.4162.400000111.1
195V43.6Very low41.9Very low108 Ų108132.1 Ų132.166%0.65579%0.789SS**  69.5106.280.9-178.10000112.2
196L44.9Very low41.9Very low157 Ų157131.7 Ų131.782%0.82278%0.779SS**  trans81147.9157.9-47.6163.5000116.5
197D40.2Very low41.7Very low136 Ų136131.4 Ų131.473%0.72777%0.766SS**  cis-159.9163.112.9-156.3-0.1000110.8
198I40.7Very low41.5Very low150 Ų150127.3 Ų127.377%0.76976%0.763SS**  trans-48.4139.6172.3-79.7151000114.3
199G36.2Very low41.6Very low64 Ų64122.4 Ų122.466%0.6675%0.75SS**  trans-16653172.700000112.6S201G199-S201 PolarHBondContact O-N 2.97Å
200T37.7Very low41.9Very low143 Ų143121.4 Ų121.488%0.87774%0.74SS**  trans-5597.5164.137.50000109.7
201S42.2Very low41.9Very low101 Ų101119.2 Ų119.271%0.70673%0.728SS**  trans-118.5102.2165.640.70000108G199 T203G199-S201 PolarHBondContact O-N 2.97Å; S201-T203 PolarHBondContact O-N 2.78Å
202S37Very low42.1Very low122 Ų122122.8 Ų122.885%0.85373%0.727SS**  trans-55.2108.2170.3173.80000110.3
203T44.3Very low42.3Very low119 Ų119122.3 Ų122.373%0.7372%0.722SS**  trans-120.9104.2159.750.90000108.3S201 F205S201-T203 PolarHBondContact O-N 2.78Å; T203-F205 PolarHBondContact O-N 3.27Å
204S37.2Very low42.9Very low109 Ų109122.6 Ų122.676%0.76272%0.721SS**  trans-52.6115.6169.947.80000110S206S204-S206 PolarHBondContact O-N 3.37Å
205F41.7Very low43.2Very low197 Ų197127.2 Ų127.286%0.86472%0.718SS**  trans-72107.9167.5-114.4-98.6000108.2T203T203-F205 PolarHBondContact O-N 3.27Å
206S43.5Very low43.1Very low101 Ų101125.2 Ų125.271%0.70672%0.719SS**  trans-65134.1167-70.30000109.6S204S204-S206 PolarHBondContact O-N 3.37Å
207S41.1Very low42.9Very low62 Ų62119.7 Ų119.743%0.43470%0.7SS.*  trans-45136.8-174.7-178.50000114.4Q209 D210S207-Q209 PolarHBondContact O-N 3.05Å; S207-Q209 WeakPolarHBondContact OG-CG 3.39Å; S207-Q209 PolarHBondContact OG-N 2.82Å; S207-Q209 PolarHBondContact OG-NE2 3.06Å; S207-D210 PolarHBondContact O-N 3.25Å
208V50.1Low43.3Very low126 Ų126117 Ų11776%0.76469%0.692SS**THydrogen-bonded Turntrans-600.9172.3-70.10000114.8D210V208-D210 VanDerWaalsContact C-N 3.32Å
209Q49.2Very low44.1Very low134 Ų134114.1 Ų114.163%0.62669%0.685SS**THydrogen-bonded Turntrans-71.7-24.6175.9-70.816525.100112.7S207 L211 Q212 C213S207-Q209 PolarHBondContact O-N 3.05Å; S207-Q209 WeakPolarHBondContact OG-CG 3.39Å; S207-Q209 PolarHBondContact OG-N 2.82Å; S207-Q209 PolarHBondContact OG-NE2 3.06Å; Q209-L211 VanDerWaalsContact C-N 3.3Å; Q209-L211 PolarHBondContact O-N 3.49Å; Q209-Q212 WeakPolarHBondContact O-CB 3.43Å; Q209-Q212 PolarHBondContact O-N 3.48Å; Q209-Q212 VanDerWaalsContact O-N 3.09Å; Q209-C213 PolarHBondContact O-N 2.82Å
210D44.7Very low44.9Very low117 Ų117116.7 Ų116.763%0.62668%0.68SS**Hα-helixtrans-71.7-22.4179.5-99.9-17.2000113.9S207 V208 Q212S207-D210 PolarHBondContact O-N 3.25Å; V208-D210 VanDerWaalsContact C-N 3.32Å; D210-Q212 VanDerWaalsContact C-N 3.3Å
211L45.2Very low45.6Very low130 Ų130116.5 Ų116.568%0.68167%0.671SS**Hα-helixtrans-77.5-18.1172-126.976000112.1Q209 Y215Q209-L211 VanDerWaalsContact C-N 3.3Å; Q209-L211 PolarHBondContact O-N 3.49Å; L211-Y215 HydrophobicContact CG-CD2 4.43Å; L211-Y215 HydrophobicContact CG-CE2 4.31Å; L211-Y215 WeakPolarHBondContact O-CD2 3.41Å
212Q45.4Very low46.4Very low144 Ų144115.8 Ų115.867%0.67366%0.659SS**Hα-helixtrans-81.2-29.4175.9-160.7166.95.900111.5Q209 D210 F214 Y215 G216Q209-Q212 WeakPolarHBondContact O-CB 3.43Å; Q209-Q212 PolarHBondContact O-N 3.48Å; Q209-Q212 VanDerWaalsContact O-N 3.09Å; D210-Q212 VanDerWaalsContact C-N 3.3Å; Q212-F214 VanDerWaalsContact C-N 3.32Å; Q212-F214 PolarHBondContact O-N 3.36Å; Q212-Y215 PolarHBondContact O-N 3.08Å; Q212-G216 PolarHBondContact O-N 3.1Å
213C47.4Very low47.7Very low100 Ų100116.6 Ų116.668%0.67665%0.649SS**Hα-helixtrans-68.2-25.8176.9-64.20000113.8Q209Q209-C213 PolarHBondContact O-N 2.82Å
214F46.5Very low48.4Very low186 Ų186114.6 Ų114.682%0.81663%0.634SS**Hα-helixtrans-91.7-14.3175-90.8-87.2000114.4Q212Q212-F214 VanDerWaalsContact C-N 3.32Å; Q212-F214 PolarHBondContact O-N 3.36Å
215Y49.6Very low49.4Very low165 Ų165111.7 Ų111.765%0.64761%0.609SS**Hα-helixtrans-120.72.5-171.4-73.6-94.7000114.1L211 Q212 G217L211-Y215 HydrophobicContact CG-CD2 4.43Å; L211-Y215 HydrophobicContact CG-CE2 4.31Å; L211-Y215 WeakPolarHBondContact O-CD2 3.41Å; Q212-Y215 PolarHBondContact O-N 3.08Å; Y215-G217 PolarHBondContact O-N 2.73Å; Y215-G217 VanDerWaalsContact O-N 3.14Å
216G39.9Very low50.5Low66 Ų66108.3 Ų108.368%0.6860%0.596SS**  trans-76.114.2-179.200000116.7Q212Q212-G216 PolarHBondContact O-N 3.1Å
217G41.3Very low51.1Low41 Ų41109.9 Ų109.942%0.42359%0.592SS.*  trans-98.419.8-176.500000115.8Y215 S219 H220Y215-G217 PolarHBondContact O-N 2.73Å; Y215-G217 VanDerWaalsContact O-N 3.14Å; G217-S219 PolarHBondContact O-N 3.25Å; G217-H220 WeakPolarHBondContact O-CB 3.3Å; G217-H220 PolarHBondContact O-N 2.88Å
218S49.5Very low51.5Low81 Ų81112.8 Ų112.857%0.56660%0.6SS**Hα-helixtrans-57.9-22.4-173.6-167.50000114.3
219S56.2Low51.7Low89 Ų89113 Ų11362%0.62259%0.593SS**Hα-helixtrans-77.1-25.4174.554.90000113.7G217 Q223G217-S219 PolarHBondContact O-N 3.25Å; S219-Q223 WeakPolarHBondContact O-CB 3.24Å; S219-Q223 PolarHBondContact O-N 2.73Å
220H54.8Low51.7Low117 Ų117115.8 Ų115.854%0.54260%0.598SS.*Hα-helixtrans-74.9-40-175.1-175.375.5000112.1G217 Q223 L224G217-H220 WeakPolarHBondContact O-CB 3.3Å; G217-H220 PolarHBondContact O-N 2.88Å; H220-Q223 PolarHBondContact O-N 3.03Å; H220-L224 VanDerWaalsContact NE2-CD1 3.28Å; H220-L224 WeakPolarHBondContact NE2-CD1 3.41Å; H220-L224 PolarHBondContact O-N 3.42Å
221M51.3Low51.8Low139 Ų139114.5 Ų114.569%0.68560%0.596SS**Hα-helixtrans-70.8-40.1177.7-64.8-63.1-78.300111.2Q223 L224 L225M221-Q223 VanDerWaalsContact C-N 3.27Å; M221-Q223 PolarHBondContact O-N 2.99Å; M221-L224 PolarHBondContact O-N 2.99Å; M221-L225 WeakPolarHBondContact O-CB 3.44Å; M221-L225 PolarHBondContact O-N 2.94Å
222D58.8Low51.8Low87 Ų87113.8 Ų113.847%0.46559%0.59SS.*Hα-helixtrans-62.7-34.2172.3-89.4-60000112.3H226D222-H226 WeakPolarHBondContact O-CB 3.24Å; D222-H226 PolarHBondContact O-N 3.05Å; D222-H226 PolarHBondContact O-ND1 3.03Å
223Q65.5Low51.7Low138 Ų138112 Ų11265%0.64559%0.585SS**Hα-helixtrans-76.3-37.9178.6-166.4147.642.200112.9S219 H220 M221 L225 Q227S219-Q223 WeakPolarHBondContact O-CB 3.24Å; S219-Q223 PolarHBondContact O-N 2.73Å; H220-Q223 PolarHBondContact O-N 3.03Å; M221-Q223 VanDerWaalsContact C-N 3.27Å; M221-Q223 PolarHBondContact O-N 2.99Å; Q223-L225 VanDerWaalsContact C-N 3.3Å; Q223-Q227 WeakPolarHBondContact O-CB 3.42Å; Q223-Q227 PolarHBondContact O-N 3.23Å
224L58.9Low51.5Low77 Ų77110.2 Ų110.240%0.40359%0.585SS.*Hα-helixtrans-64.2-36.7169.7-97155.6000111.7H220 M221 Q227 M228H220-L224 VanDerWaalsContact NE2-CD1 3.28Å; H220-L224 WeakPolarHBondContact NE2-CD1 3.41Å; H220-L224 PolarHBondContact O-N 3.42Å; M221-L224 PolarHBondContact O-N 2.99Å; L224-Q227 PolarHBondContact O-N 3.35Å; L224-M228 WeakPolarHBondContact O-CG 3.2Å; L224-M228 PolarHBondContact O-N 3.4Å
225L56.5Low51.2Low48 Ų48108 Ų10825%0.25158%0.575SS.*Hα-helixtrans-66.8-49.9176.2-155.179.1000111.3L147 M221 Q223 Q227 M228 E229L147-L225 HydrophobicContact CD1-CD1 3.67Å; L147-L225 HydrophobicContact CD2-CD1 3.38Å; L147-L225 HydrophobicContact CG-CD1 4.19Å; M221-L225 WeakPolarHBondContact O-CB 3.44Å; M221-L225 PolarHBondContact O-N 2.94Å; Q223-L225 VanDerWaalsContact C-N 3.3Å; L225-Q227 PolarHBondContact O-N 3.37Å; L225-M228 CarbonylContact O-C 3.54Å; L225-M228 PolarHBondContact O-N 3.44Å; L225-E229 VanDerWaalsContact O-CB 3.3Å; L225-E229 WeakPolarHBondContact O-CB 3.47Å; L225-E229 PolarHBondContact O-N 2.74Å
226H65.2Low51Low127 Ų127106.9 Ų106.959%0.58858%0.579SS**Hα-helixtrans-60.1-28.8175.7-84.489.3000113.1D222D222-H226 WeakPolarHBondContact O-CB 3.24Å; D222-H226 PolarHBondContact O-N 3.05Å; D222-H226 PolarHBondContact O-ND1 3.03Å
227Q56.2Low51.1Low133 Ų133108.2 Ų108.262%0.62157%0.574SS**Hα-helixtrans-73-32.5175.7-169.4175.2-34.500112.2Q223 L224 L225Q223-Q227 WeakPolarHBondContact O-CB 3.42Å; Q223-Q227 PolarHBondContact O-N 3.23Å; L224-Q227 PolarHBondContact O-N 3.35Å; L225-Q227 PolarHBondContact O-N 3.37Å
228M49.3Very low51.1Low123 Ų123114.3 Ų114.361%0.60660%0.596SS**Hα-helixtrans-95.8-14.8-180-61-134-54.400114.2L143 L224 L225 R230L143-M228 HydrophobicContact CD2-CE 4.49Å; L224-M228 WeakPolarHBondContact O-CG 3.2Å; L224-M228 PolarHBondContact O-N 3.4Å; L225-M228 CarbonylContact O-C 3.54Å; L225-M228 PolarHBondContact O-N 3.44Å; M228-R230 VanDerWaalsContact C-N 3.28Å
229E53.8Low50.6Low132 Ų132113.6 Ų113.662%0.61760%0.602SS**  trans-81.8-4.8176.7-153.9-178.4155.200112.5L225 P231L225-E229 VanDerWaalsContact O-CB 3.3Å; L225-E229 WeakPolarHBondContact O-CB 3.47Å; L225-E229 PolarHBondContact O-N 2.74Å; E229-P231 VanDerWaalsContact O-CD 3.25Å; E229-P231 WeakPolarHBondContact O-CD 3.38Å; E229-P231 VanDerWaalsContact O-N 3.13Å
230R49.9Very low49.8Very low191 Ų191118.3 Ų118.372%0.72161%0.614SS**SBendtrans-63.2118.6169.6-69.2-166.5-150.3160.27.9108.8M228 M232M228-R230 VanDerWaalsContact C-N 3.28Å; R230-M232 PolarHBondContact O-N 3.38Å
231P47.8Very low48.9Very low91 Ų91116.9 Ų116.959%0.59162%0.617SS**  trans-56.8137.9176.123.1-31.3000108.8E229 D233E229-P231 VanDerWaalsContact O-CD 3.25Å; E229-P231 WeakPolarHBondContact O-CD 3.38Å; E229-P231 VanDerWaalsContact O-N 3.13Å; P231-D233 VanDerWaalsContact CB-OD2 3.24Å; P231-D233 WeakPolarHBondContact CB-OD2 3.47Å; P231-D233 WeakPolarHBondContact CG-OD2 3.35Å; P231-D233 PolarHBondContact O-N 3.06Å
232M44.2Very low48.1Very low114 Ų114116.6 Ų116.656%0.56263%0.627SS**SBendtrans-66.846.5173.2-94.2-79.3-66.300111.1R230 G234 F235R230-M232 PolarHBondContact O-N 3.38Å; M232-G234 PolarHBondContact O-N 2.76Å; M232-F235 HydrophobicContact CE-CB 3.37Å; M232-F235 HydrophobicContact CE-CD1 4.48Å; M232-F235 HydrophobicContact CE-CG 3.94Å; M232-F235 HydrophobicContact SD-CB 4.41Å
233D44.5Very low46.8Very low106 Ų106121.6 Ų121.657%0.56765%0.645SS**Hα-helixtrans-74.8-12173.4-66.5-44.8000111.4P231 T237P231-D233 VanDerWaalsContact CB-OD2 3.24Å; P231-D233 WeakPolarHBondContact CB-OD2 3.47Å; P231-D233 WeakPolarHBondContact CG-OD2 3.35Å; P231-D233 PolarHBondContact O-N 3.06Å; D233-T237 PolarHBondContact O-OG1 3.22Å
234G41.3Very low45.4Very low64 Ų64123.1 Ų123.166%0.6666%0.656SS**Hα-helixtrans-81.6-8.1177.500000116M232 T237M232-G234 PolarHBondContact O-N 2.76Å; G234-T237 WeakPolarHBondContact CA-OG1 3.46Å
235F41.1Very low44.2Very low140 Ų140122.7 Ų122.761%0.61467%0.67SS**Hα-helixtrans-97.7-27.8175-173.4-104.4000112.6M232 T237M232-F235 HydrophobicContact CE-CB 3.37Å; M232-F235 HydrophobicContact CE-CD1 4.48Å; M232-F235 HydrophobicContact CE-CG 3.94Å; M232-F235 HydrophobicContact SD-CB 4.41Å; F235-T237 VanDerWaalsContact C-N 3.33Å
236L44.9Very low43.2Very low140 Ų140126.7 Ų126.773%0.73370%0.702SS**Hα-helixtrans-80.9-14.7176.3-60.4-179000112.9
237T43.2Very low42Very low95 Ų95124.9 Ų124.958%0.58371%0.709SS**THydrogen-bonded Turntrans-85.2-7.8178.119.10000114.6D233 G234 F235 G239D233-T237 PolarHBondContact O-OG1 3.22Å; G234-T237 WeakPolarHBondContact CA-OG1 3.46Å; F235-T237 VanDerWaalsContact C-N 3.33Å; T237-G239 PolarHBondContact O-N 2.89Å; T237-G239 VanDerWaalsContact O-N 3.11Å
238L40.7Very low41.3Very low169 Ų169125.9 Ų125.989%0.88572%0.719SS**THydrogen-bonded Turntrans-88.653.4171.2-156.975.7000110.7
239G38.2Very low40.9Very low66 Ų66127.9 Ų127.968%0.6873%0.732SS**THydrogen-bonded Turntrans-143.7-16177.700000114.3T237T237-G239 PolarHBondContact O-N 2.89Å; T237-G239 VanDerWaalsContact O-N 3.11Å
240E39.3Very low40.4Very low187 Ų187130.4 Ų130.487%0.87474%0.741SS**SBendtrans-13313-169.8-69.4-179.4139.100114.3
241S35.5Very low40.2Very low88 Ų88130.2 Ų130.262%0.61575%0.745SS**  trans-124.667.6176.2169.10000111.3
242C35.1Very low39.8Very low132 Ų132132.4 Ų132.489%0.89275%0.752SS**SBendtrans-123.6109.7148.7-77.10000106.3
243F32.6Very low39.8Very low192 Ų192135.4 Ų135.484%0.84277%0.769SS**  trans-49136.5-163.8-99.2-112.5000115G245F243-G245 PolarHBondContact O-N 3.39Å
244I35.8Very low39.6Very low171 Ų171136.3 Ų136.388%0.87777%0.774SS**  trans-42.8123.3146.7-66.8169.2000109
245G33.5Very low39.5Very low67 Ų67140.3 Ų140.369%0.69178%0.781SS**  trans-17760.4178.600000111.3F243 A247F243-G245 PolarHBondContact O-N 3.39Å; G245-A247 PolarHBondContact O-N 2.97Å
246S35.1Very low39.5Very low132 Ų132141.3 Ų141.392%0.92379%0.787SS**  trans-62.3108.2159.1-72.40000108.6
247A40.5Very low39Very low90 Ų90139.6 Ų139.674%0.74479%0.785SS**  trans-160.1127.315300000109.4G245G245-A247 PolarHBondContact O-N 2.97Å
248D41.1Very low38.6Very low154 Ų154140.9 Ų140.982%0.82480%0.798SS**  trans-49.9126.9180-52.1-92.7000113.8
249N40.6Very low38.8Very low165 Ų165137.6 Ų137.688%0.88279%0.789SS**  -171.4145.4123.1-110.2-68.3000114.2
250K43.2Very low38.8Very low184 Ų184139.8 Ų139.880%0.879%0.794SS**  trans-89.6124.6-172.1175.1176.8-179.2166.50109.8
251K45.2Very low38.8Very low188 Ų188134 Ų13482%0.81779%0.785SS**  trans175.8120.8137.6-99.4160.2-178175.20112
252D40.3Very low39.2Very low137 Ų137139 Ų13973%0.73380%0.795SS**  trans5123145.9-49.3-76.1000117
253L44.3Very low39.5Very low176 Ų176138.7 Ų138.792%0.92180%0.795SS**  -167.6151.4111.6-11878.3000112
254N40.9Very low39.9Very low125 Ų125134.2 Ų134.267%0.66879%0.787SS**  trans-68.6142.9-163.6-170.211.6000114.3H256N254-H256 PolarHBondContact ND2-CE1 2.84Å
255N39.3Very low40.2Very low149 Ų149133.8 Ų133.880%0.79778%0.784SS**  trans-66123.8171.4-96.6-16.4000111.4
256H41.1Very low41.2Very low161 Ų161138.3 Ų138.375%0.74579%0.789SS**  trans-138.882.6152.3-12.8-64.6000108.4N254N254-H256 PolarHBondContact ND2-CE1 2.84Å
257C32.6Very low41.6Very low103 Ų103142.2 Ų142.270%0.69678%0.783SS**  trans-105.7114.8162.2171.70000107.1
258S36.8Very low41.7Very low122 Ų122142.9 Ų142.985%0.85379%0.789SS**  trans-144.172.3160.8-67.80000106.3S260S258-S260 PolarHBondContact O-N 2.91Å
259S43.5Very low41.9Very low100 Ų100140.5 Ų140.570%0.69978%0.784SS**  trans-68.5112.6170.168.50000108.7G261S259-G261 VanDerWaalsContact C-N 3.27Å; S259-G261 PolarHBondContact O-N 3.23Å
260S38.6Very low42.1Very low113 Ų113142 Ų14279%0.7979%0.786SS**  trans-63.589.1157.256.70000109S258S258-S260 PolarHBondContact O-N 2.91Å
261G39.6Very low42Very low65 Ų65142.5 Ų142.567%0.6779%0.791SS**  trans-110.873.8-178.500000111.9S259 S263S259-G261 VanDerWaalsContact C-N 3.27Å; S259-G261 PolarHBondContact O-N 3.23Å; G261-S263 PolarHBondContact O-N 3.13Å
262K43.9Very low41.8Very low192 Ų192142.3 Ų142.384%0.83579%0.793SS**  trans-40.6113.1158.930.3176.7166.7-178.80112
263S41.8Very low41.6Very low127 Ų127145.4 Ų145.489%0.88880%0.803SS**  trans-109.891.3148.7-98.20000108G261 M265G261-S263 PolarHBondContact O-N 3.13Å; S263-M265 PolarHBondContact O-N 3.5Å
264S39.3Very low41.6Very low97 Ų97141.5 Ų141.568%0.67880%0.796SS**  trans-74.9106.3169-173.70000107.6M266S264-M266 VanDerWaalsContact C-N 3.34Å; S264-M266 PolarHBondContact O-N 3.29Å; S264-M266 VanDerWaalsContact O-N 3.16Å
265M43.4Very low41.8Very low163 Ų163145.6 Ų145.680%0.80381%0.808SS**  trans-80.688.2168.9-172.3171.3-77.100107.2S263 W267S263-M265 PolarHBondContact O-N 3.5Å; M265-W267 PolarHBondContact O-N 2.9Å
266M54.8Low41.8Very low162 Ų162144.1 Ų144.180%0.79881%0.809SS**  trans-74.1111.5174.3-69-159.567.400109.2S264 A268S264-M266 VanDerWaalsContact C-N 3.34Å; S264-M266 PolarHBondContact O-N 3.29Å; S264-M266 VanDerWaalsContact O-N 3.16Å; M266-A268 PolarHBondContact O-N 2.98Å
267W42.5Very low41.6Very low214 Ų214139.3 Ų139.381%0.81180%0.804SS**  trans-72112.3158.7-71.272.5000106.9M265 S269M265-W267 PolarHBondContact O-N 2.9Å; W267-S269 PolarHBondContact O-N 3.33Å
268A43.8Very low42.2Very low104 Ų104141.7 Ų141.786%0.8681%0.809SS**  trans-71.7101.7163.300000107.1M266M266-A268 PolarHBondContact O-N 2.98Å
269S43.8Very low42.5Very low103 Ų103142.4 Ų142.472%0.7280%0.803SS**  trans-106.2105167.2-69.40000108.5W267W267-S269 PolarHBondContact O-N 3.33Å
270E44.9Very low42.6Very low196 Ų196145.2 Ų145.292%0.91681%0.806SS**  trans24.1103.5145.2-136.7153.7110.600117.1
271E41.6Very low42.9Very low196 Ų196146.2 Ų146.292%0.91680%0.801SS**  trans-72.6139.7173.2-168.9167.3114.200111.3
272Q41.1Very low43.1Very low183 Ų183150.7 Ų150.786%0.85581%0.805SS**  trans-69.1130.6-174.2-68.7169.6-23.200112.3A274Q272-A274 PolarHBondContact O-N 3.34Å
273Q36.4Very low43Very low203 Ų203150 Ų15095%0.94981%0.806SS**  trans-72.7109.1167.4-170.4168.74400110.4
274A43.8Very low42.9Very low93 Ų93146.9 Ų146.977%0.76980%0.795SS**  trans-14184.2169.800000112.2Q272Q272-A274 PolarHBondContact O-N 3.34Å
275K44.6Very low43.2Very low212 Ų212148.4 Ų148.492%0.92281%0.806SS**  trans17.1106.6137-158.2169.9-171.1173.40118.7
276S39.8Very low43.3Very low117 Ų117145.3 Ų145.382%0.81880%0.8SS**  trans-178.8111.2141.7-170.20000106.8
277G37.4Very low42.9Very low61 Ų61143.4 Ų143.463%0.62980%0.798SS**  89101.675.300000109.8
278N45.2Very low42.9Very low152 Ų152142.9 Ų142.981%0.81380%0.796SS**  trans164.5103142.7-83.2-1.3000112
279D42.6Very low43.2Very low137 Ų137145.5 Ų145.573%0.73379%0.792SS**  46.5133.9123.2-59-37.6000123.2
280Q45.7Very low43Very low160 Ų160150 Ų15075%0.74880%0.801SS**  trans108.2113.4132.9-91.7-179.390.900121
281L44.6Very low42.9Very low134 Ų134144 Ų14470%0.70279%0.793SS**  trans78.2123.4140.3-50.5171.2000118
282Q44.2Very low43.2Very low158 Ų158139.9 Ų139.974%0.73879%0.792SS**  cis106.6121.133.9-179.5154.759.700112.3
283M41.5Very low43.3Very low177 Ų177134.5 Ų134.587%0.87279%0.786SS**  trans65.5145.1170.8-43.6-50.7-11000117
284G40.7Very low44.2Very low62 Ų62133.1 Ų133.164%0.63978%0.783SS**  cis142.1159.417.700000108
285S45.1Very low44.5Very low130 Ų130135.6 Ų135.691%0.90978%0.783SS**  trans96144.6170.7-45.20000116.5
286S45.2Very low44.8Very low98 Ų98131.3 Ų131.369%0.68578%0.775SS**  cis175.4144-17.9-154.20000107.8
287T45.6Very low46Very low122 Ų122134.9 Ų134.975%0.74878%0.781SS**  trans66.5144.6138.6-52.90000118.8
288R43.8Very low46.5Very low203 Ų203139 Ų13977%0.76679%0.788SS**  cis171.9159.6-8.4175.9-170.5173.5156.7-1.1105.7
289M50.7Low47.7Very low159 Ų159137.4 Ų137.478%0.78379%0.787SS**  trans130.6138.2138.2-70.7-74.2-16200115.1
290E37.6Very low47.8Very low196 Ų196136.7 Ų136.792%0.91679%0.787SS**  trans-96.8158.9-168.5-173-164.9163.300110.9
291G43.8Very low48.1Very low72 Ų72135.5 Ų135.574%0.74279%0.79SS**  trans175.4112.8164.600000115.7
292A47.9Very low48.1Very low108 Ų108132.9 Ų132.989%0.89380%0.796SS**  trans35.5126.514700000119.4
293G44.3Very low48.1Very low71 Ų71134 Ų13473%0.73281%0.807SS**  cis97.3105.142.600000110.1
294I54Low48.4Very low173 Ų173135.9 Ų135.989%0.88781%0.805SS**  trans-159.4152.6151.562.7155.1000112
295D50.9Low48.4Very low145 Ų145141.8 Ų141.878%0.77582%0.816SS**  trans-74.9151-163.4-68.6-82.1000120.1
296V50.1Low48.7Very low122 Ų122138.7 Ų138.774%0.73981%0.805SS**  22.4129.6128.3-175.10000119.6
297M64.6Low48.8Very low192 Ų192138.9 Ų138.995%0.94681%0.812SS**  -173.7131.6127.6-97.7171.8-151.900111.7
298D49.3Very low49.3Very low148 Ų148140.1 Ų140.179%0.79182%0.819SS**  trans-124.9141.3166.4-179.831.1000107.6
299P68.9Low49.6Very low119 Ų119136.6 Ų136.677%0.77383%0.826SS**  trans-124.9124.4162.433.8-18.4000113.1
300V45.1Very low49.7Very low122 Ų122132 Ų13274%0.73982%0.819SS**  trans-80166.6165.575.60000111.3
301T51.8Low50.2Low134 Ų134130.5 Ų130.582%0.82282%0.817SS**  trans89129.4159.155.10000120.6
302G44.6Very low50.6Low80 Ų80131.7 Ų131.783%0.82582%0.815SS**  trans158.186.515500000115.9
303L45.2Very low51.5Low182 Ų182135.6 Ų135.695%0.95382%0.816SS**  trans-61.3142.5167-79152.5000112.7
304Y47.1Very low51.7Low216 Ų216139.6 Ų139.685%0.84782%0.821SS**  trans-157.4113.6145.6-170.7-110.2000111
305E41.7Very low51.9Low185 Ų185136.3 Ų136.386%0.86481%0.813SS**  trans-77.5141.9158.8-90.4-160.9138.200109.7
306G51.8Low52.2Low66 Ų66139.1 Ų139.168%0.6882%0.819SS**  trans-151.998.9168.500000110.4
307A45.3Very low52.2Low101 Ų101137.3 Ų137.384%0.83582%0.824SS**  trans-83.9136.3172.100000110.8
308V57.3Low51.2Low148 Ų148137.6 Ų137.690%0.89782%0.821SS**  trans-144.7131154.6-76.60000111
309S48.8Very low51.1Low130 Ų130139.1 Ų139.191%0.90982%0.823SS**  trans-64.2164.4178.3-60.20000114.9
310G53.9Low50.1Low61 Ų61136.4 Ų136.463%0.62982%0.817SS**  trans152.5103.6139.500000114.8
311D47.6Very low50.7Low165 Ų165136.2 Ų136.288%0.88282%0.821SS**  trans53.7141.1138.5-62.2-62.3000119.7
312S53.6Low50.4Low98 Ų98137.7 Ų137.769%0.68582%0.824SS**  cis141.8124.518.7171.10000104
313M65.8Low51.1Low189 Ų189139 Ų13993%0.93182%0.82SS**  trans171.6106.1142.3-95.2-176.2170.200110.9
314D48.2Very low51.3Low155 Ų155140 Ų14083%0.82981%0.811SS**  trans-63.4144.6161.3-77-88.5000112.2
315S59.4Low51.6Low104 Ų104136.9 Ų136.973%0.72781%0.808SS**  -178.8120.4126.1-83.30000114.5
316K56.7Low52Low205 Ų205135.3 Ų135.389%0.89180%0.801SS**  trans70120.5132.1-67.1-176.5173.9174.10119.9
317G49.1Very low52.6Low83 Ų83140.2 Ų140.286%0.85681%0.808SS**  trans-86.5178.1-179.600000115.7
318F45.1Very low53.9Low198 Ų198144.6 Ų144.687%0.86881%0.808SS**  trans-146.8119.5160.1173.4-107.4000107.6
319E47Very low54.7Low181 Ų181142.7 Ų142.785%0.84680%0.799SS**  trans-68130.5172.9-82.1165.589.700110.7
320G47.1Very low55.8Low62 Ų62142.3 Ų142.364%0.63979%0.793SS**  trans-132.2106.5171.600000109.8
321S58Low56.4Low118 Ų118144.2 Ų144.283%0.82580%0.804SS**  trans-55.1128.4-168.1-48.90000115.7S323S321-S323 PolarHBondContact O-N 2.88Å
322N46Very low56.9Low165 Ų165145.6 Ų145.688%0.88281%0.805SS**  trans-78.9101.9162.2-80.5-61.3000109.9R324N322-R324 PolarHBondContact O-N 3.34Å
323S58.7Low57.1Low106 Ų106150.2 Ų150.274%0.74182%0.815SS**  trans-80.290.4166.636.10000110.1S321 L325S321-S323 PolarHBondContact O-N 2.88Å; S323-L325 PolarHBondContact O-N 3.24Å
324R49.3Very low57Low205 Ų205145.3 Ų145.377%0.77481%0.805SS**  trans-61.396.4165.8175.3177.3152.3-179.3-7.1109.6N322 E326N322-R324 PolarHBondContact O-N 3.34Å; R324-E326 IonicContact CZ-OE2 3.42Å; R324-E326 IonicContact NE-OE2 2.81Å; R324-E326 IonicContact NH2-OE2 3.13Å; R324-E326 PolarHBondContact NH2-OE2 2.99Å; R324-E326 PolarHBondContact O-N 3.49Å
325L54.2Low58Low149 Ų149144 Ų14478%0.7881%0.805SS**  trans-84101.3168.6-71.5174.5000109.3S323 M327S323-L325 PolarHBondContact O-N 3.24Å; L325-M327 PolarHBondContact O-N 3.1Å
326E49.2Very low58.3Low152 Ų152146.1 Ų146.171%0.7181%0.813SS**  trans-69.7101.6173.6-162.9160.4101.300109.4R324 K328R324-E326 IonicContact CZ-OE2 3.42Å; R324-E326 IonicContact NE-OE2 2.81Å; R324-E326 IonicContact NH2-OE2 3.13Å; R324-E326 PolarHBondContact NH2-OE2 2.99Å; R324-E326 PolarHBondContact O-N 3.49Å; E326-K328 PolarHBondContact O-N 2.9Å
327M64.5Low58.5Low169 Ų169139.4 Ų139.483%0.83380%0.802SS**  trans-80.9112.5173.4-81-8112900109.7L325L325-M327 PolarHBondContact O-N 3.1Å
328K73.5Confident58.6Low193 Ų193141.5 Ų141.584%0.83980%0.804SS**PPolyproline II helixtrans-73.5127.4175.9175.4166.4165.7165.70110.7E326E326-K328 PolarHBondContact O-N 2.9Å
329P74.2Confident59.6Low108 Ų108140.9 Ų140.970%0.70180%0.803SS**PPolyproline II helixtrans-73.3144.7179.128.2-31.7000111.5
330P70.5Confident60Low122 Ų122141.2 Ų141.279%0.79280%0.797SS**PPolyproline II helixtrans-70.7142.2178.328-32.6000111.8Q332P330-Q332 PolarHBondContact O-N 3.48Å
331A67.9Low61.1Low102 Ų102145.6 Ų145.684%0.84380%0.804SS**PPolyproline II helixtrans-60.4126.8-177.900000112.3Q333A331-Q333 PolarHBondContact O-N 2.87Å
332Q58.2Low61.3Low194 Ų194148.9 Ų148.991%0.90780%0.799SS**  trans-69.8114.7170.1-69.2178-0.300109.5P330 A334P330-Q332 PolarHBondContact O-N 3.48Å; Q332-A334 PolarHBondContact O-N 3.26Å
333Q56Low62.2Low194 Ų194152.3 Ų152.391%0.90781%0.814SS**PPolyproline II helixtrans-75.2116.5161.1-98.3177.8-7.400108.7A331A331-Q333 PolarHBondContact O-N 2.87Å
334A64.3Low62.3Low86 Ų86154.7 Ų154.771%0.71182%0.818SS**PPolyproline II helixtrans-68.3136174.700000111.1Q332 V336Q332-A334 PolarHBondContact O-N 3.26Å; A334-V336 PolarHBondContact O-N 3.45Å
335P69.7Low63Low128 Ų128152 Ų15283%0.83182%0.82SS**PPolyproline II helixtrans-75.1119.1166.628.5-29.2000109.8G337P335-G337 PolarHBondContact O-N 3.17Å
336V66.2Low63.5Low148 Ų148152.2 Ų152.290%0.89782%0.823SS**PPolyproline II helixtrans-67.2117.9174.8174.70000110.2A334A334-V336 PolarHBondContact O-N 3.45Å
337G59.3Low64.3Low64 Ų64152.2 Ų152.266%0.6683%0.829SS**  trans52.6101.6134.400000119P335 Q339P335-G337 PolarHBondContact O-N 3.17Å; G337-Q339 PolarHBondContact O-N 3.1Å
338S52.4Low64.3Low128 Ų128151.1 Ų151.190%0.89583%0.829SS**  trans-56.7122158.7-55.40000112
339Q66.3Low63.7Low184 Ų184148.3 Ų148.386%0.8683%0.828SS**  trans-95.2104.2154.5-81.4-173.129.800109.4G337G337-Q339 PolarHBondContact O-N 3.1Å
340R55.4Low63Low189 Ų189151.2 Ų151.271%0.71384%0.838SS**  trans-70.2116.3161.6169.1-171.2-101.9176.7-4.3107.6R342R340-R342 HydrophobicContact CG-CG 4.44Å
341I70.2Confident62.4Low154 Ų154153.5 Ų153.579%0.7984%0.841SS**  trans-103.4108.2158.1-67.5168.7000106.5
342R62.3Low61.9Low187 Ų187157.8 Ų157.871%0.70684%0.841SS**  trans-111.9119.8153.7-78.8-170.7-163.8158.6-0.5105.7R340R340-R342 HydrophobicContact CG-CG 4.44Å
343I62.9Low62.3Low237 Ų237154.5 Ų154.5100%1.21584%0.835SS**  trans-139.90137.1-51.7-177.7000105.5

Retrieved 343 of 343 residues in 50.2 ms (Link to these results)