A0AA82N8I4_SCHMA Loading...

Acyl carrier protein AlphaSync

Carrier of the growing fatty acid chain in fatty acid biosynthesis.

AlphaFold DB , UniProt , Accession A0AA82N8I4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 140 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
1M44.8Very low52.2Low237 Ų237133.8 Ų133.8100%1.16776%0.757SS**  026.80-76.3177.6162.700113.1
2N50.6Low51.6Low144 Ų144127.6 Ų127.677%0.7774%0.744SS**  trans-132.328.7-169.4-66.4-29.7000114.9
3I61.4Low51.5Low163 Ų163133.5 Ų133.584%0.83676%0.756SS**SBendtrans-98-13-178.1-86.3151.4000113.5
4S54Low51.2Low110 Ų110140.7 Ų140.777%0.76977%0.765SS**SBendtrans-94.1-8.8-172.1-152.50000115.7
5L53.2Low50.6Low140 Ų140146.7 Ų146.773%0.73377%0.772SS**SBendtrans-97-10.9-175.8-87.9159.9000114.5
6M54.2Low49.9Very low123 Ų123144.2 Ų144.261%0.60678%0.779SS**SBendtrans-87.1-19.3-178.4-72.9-97.194.900113.7
7S52.5Low49Very low96 Ų96141.9 Ų141.967%0.67178%0.775SS**THydrogen-bonded Turntrans-82.5-12-178.8-59.10000114.6
8T52.5Low48.3Very low111 Ų111142.2 Ų142.268%0.68178%0.775SS**THydrogen-bonded Turntrans-88.7-12.4-176.6-9.30000113.6
9V51.8Low48.2Very low103 Ų103142.9 Ų142.962%0.62478%0.776SS**THydrogen-bonded Turntrans-96.2-22.9179.9-157.10000111.8C11V9-C11 VanDerWaalsContact C-N 3.34Å; V9-C11 PolarHBondContact O-N 3.18Å
10L50.8Low47.7Very low126 Ų126139.7 Ų139.766%0.6677%0.769SS**THydrogen-bonded Turntrans-77.1-6.3-178.2-100.891000115.9L73L10-L73 HydrophobicContact CD1-CD2 4.16Å; L10-L73 HydrophobicContact CD2-CD2 3.67Å; L10-L73 HydrophobicContact CG-CD2 3.86Å
11C48.3Very low47.5Very low119 Ų119139.5 Ų139.580%0.80477%0.768SS**THydrogen-bonded Turntrans-95.91.2178.2-155.10000113.4V9V9-C11 VanDerWaalsContact C-N 3.34Å; V9-C11 PolarHBondContact O-N 3.18Å
12G45.1Very low47.4Very low59 Ų59138.8 Ų138.861%0.60875%0.754SS**SBendtrans-91.5-23.9-167.400000117.3
13F50.9Low46.7Very low205 Ų205137.2 Ų137.290%0.89975%0.754SS**SBendtrans-106.6-5-163.9-93.9-88.6000116.8
14R46.5Very low45.5Very low234 Ų234133.4 Ų133.488%0.88375%0.747SS**SBendtrans-10014.7-176.1-119.5-178.6168.1-176.10.1115.9
15R41.9Very low45.2Very low230 Ų230136.2 Ų136.287%0.86875%0.751SS**  trans-136.112.4-167.8-120.8-179.5-171.3-174.72.5119
16A40.7Very low44.3Very low107 Ų107134.3 Ų134.388%0.88475%0.75SS**  trans-91.35.6179.600000115.1
17C33.6Very low44Very low106 Ų106137.2 Ų137.272%0.71676%0.759SS**SBendtrans-80.7121.3170.3-159.80000109.8
18L36.4Very low43.3Very low146 Ų146138.4 Ų138.476%0.76476%0.762SS**  trans84.1139.7164.7-59.8136.1000117.4
19I46.8Very low42.9Very low156 Ų156141.9 Ų141.980%0.878%0.776SS**  trans94.383.8165.3-46.3154.6000112.5
20A37.8Very low42.6Very low78 Ų78143.3 Ų143.365%0.64579%0.785SS**  80.6146.686.100000114.4
21N44.4Very low42.3Very low137 Ų137141.9 Ų141.973%0.73379%0.791SS**  trans88.589.4164.9-43.7-43.4000113.5
22Y41.7Very low42.1Very low222 Ų222142 Ų14287%0.87179%0.793SS**  30.3107.264.5-88.5-85.4000113.2
23S35.6Very low41.9Very low110 Ų110148.4 Ų148.477%0.76980%0.804SS**SBendtrans75.9137.7158.6890000118.6
24A37.6Very low41.4Very low84 Ų84148.1 Ų148.169%0.69480%0.803SS**  trans68.390.314500000117.8
25I47.2Very low41.1Very low168 Ų168142.6 Ų142.686%0.86280%0.798SS**  trans-120.783.2135.2-56.9178000107.5
26S34.2Very low41.3Very low101 Ų101139.4 Ų139.471%0.70680%0.798SS**  trans-51.4135.6145-79.20000108.6
27K47.7Very low41.3Very low184 Ų184138.1 Ų138.180%0.880%0.795SS**  trans-174.2113.2130.7-95.7152.8-161.2-170.50111.2
28T38.7Very low42.6Very low120 Ų120140.3 Ų140.374%0.73680%0.798SS**  trans63.597.7133.961.40000119
29L42.5Very low43.3Very low185 Ų185139 Ų13997%0.96980%0.798SS**  trans-142.6107.6136.2-94.8170000108.7
30V47.3Very low43.2Very low133 Ų133141.6 Ų141.681%0.80680%0.804SS**  trans-96.9139.2178.7162.10000109.1
31A44.7Very low44Very low96 Ų96147.4 Ų147.479%0.79382%0.815SS**  trans68.4144.9161.400000116
32S44.1Very low44.7Very low121 Ų121145.4 Ų145.485%0.84682%0.818SS**  cis-159.3162.622.1-169.80000110.3
33K39.5Very low45.3Very low193 Ų193143.6 Ų143.684%0.83982%0.815SS**  trans-73.9157.7-175-62.3173.8174.5177.60113.2
34K40.6Very low46.2Very low200 Ų200143.3 Ų143.387%0.8781%0.81SS**  trans102.6107.2160.4-63.9177.5174.7-176.60115.9
35C39.5Very low46.9Very low118 Ų118147.4 Ų147.480%0.79782%0.819SS**  178102.3128.4-94.40000106.7
36L47Very low47.6Very low162 Ų162144.4 Ų144.485%0.84881%0.813SS**  58.296.793.6-82.9153000112.9
37G41.6Very low49.2Very low81 Ų81145 Ų14584%0.83581%0.813SS**  trans55.887.5135.900000117.8
38I59.2Low50.1Low151 Ų151142.1 Ų142.177%0.77481%0.813SS**  trans-136127.5156.2-35.2173000106.9F40I38-F40 PolarHBondContact O-N 3.28Å
39P51.9Low51.2Low118 Ų118140.8 Ų140.877%0.76681%0.807SS**  trans-66.2121.4179.627.1-33000109.3K41P39-K41 PolarHBondContact O-N 3.45Å
40F45Very low52.3Low211 Ų211143.2 Ų143.293%0.92580%0.803SS**  trans-55.9106.1165.9-105.5-98.6000108I38 A42I38-F40 PolarHBondContact O-N 3.28Å; F40-A42 PolarHBondContact O-N 3.02Å
41K54.5Low52.7Low200 Ų200145.7 Ų145.787%0.8780%0.804SS**  trans-64.7116.3161.2-85.4-178.4175.1176.90106.5P39 F43P39-K41 PolarHBondContact O-N 3.45Å; K41-F43 PolarHBondContact O-N 3.08Å
42A57.6Low53.4Low96 Ų96150.9 Ų150.979%0.79381%0.809SS**  trans-54.5111171.800000108.4F40F40-A42 PolarHBondContact O-N 3.02Å
43F54.8Low54.6Low184 Ų184150 Ų15081%0.80781%0.809SS**  trans-61.8129.9168.1-152.9-96.5000106.5K41 L45K41-F43 PolarHBondContact O-N 3.08Å; F43-L45 PolarHBondContact O-N 3.46Å
44P55.6Low56.2Low103 Ų103148.3 Ų148.367%0.66980%0.804SS**  trans-58121.3175.224.2-31000107.4S46P44-S46 PolarHBondContact O-N 3.32Å
45L51.5Low57.7Low171 Ų171141.3 Ų141.390%0.89579%0.788SS**  trans-59.194.4167.7-79.1161.4000106.3F43 T47F43-L45 PolarHBondContact O-N 3.46Å; L45-T47 VanDerWaalsContact C-N 3.35Å; L45-T47 PolarHBondContact O-N 3.08Å
46S62Low59.7Low104 Ų104143.3 Ų143.373%0.72779%0.789SS**  trans-65.3103.916757.90000106P44 P48P44-S46 PolarHBondContact O-N 3.32Å; S46-P48 WeakPolarHBondContact O-CD 3.46Å
47T67Low61.4Low114 Ų114139.9 Ų139.970%0.69978%0.776SS**  trans-52.3121.6167.438.10000107.7L45 C49L45-T47 VanDerWaalsContact C-N 3.35Å; L45-T47 PolarHBondContact O-N 3.08Å; T47-C49 PolarHBondContact O-N 3.45Å
48P67.7Low63.5Low123 Ų123138.5 Ų138.580%0.79975%0.75SS**  trans-66.3105.5174.626.3-31.8000107.8S46 R50S46-P48 WeakPolarHBondContact O-CD 3.46Å; P48-R50 PolarHBondContact O-N 2.98Å
49C62.3Low65.1Low92 Ų92134.6 Ų134.662%0.62273%0.733SS**  trans-65.6117.6166.4-68.70000107.2T47 F51T47-C49 PolarHBondContact O-N 3.45Å; C49-F51 HydrophobicContact CB-CD2 4.22Å; C49-F51 HydrophobicContact CB-CE2 4Å; C49-F51 PolarHBondContact O-N 2.77Å
50R63.9Low67Low236 Ų236131.7 Ų131.789%0.89171%0.708SS**  trans-6788.7166-71.4-177.2177-163.1-1.2107.2P48 F52P48-R50 PolarHBondContact O-N 2.98Å; R50-F52 PolarHBondContact O-N 3.28Å; R50-F52 VanDerWaalsContact O-N 3.11Å
51F56.1Low69.4Low185 Ų185125.3 Ų125.381%0.81169%0.687SS**  trans-61.5113.6161.9-77.3-87.5000106C49 A53C49-F51 HydrophobicContact CB-CD2 4.22Å; C49-F51 HydrophobicContact CB-CE2 4Å; C49-F51 PolarHBondContact O-N 2.77Å; F51-A53 PolarHBondContact O-N 2.91Å
52F60.3Low71.2Confident205 Ų205120.1 Ų120.190%0.89967%0.667SS**  trans-50.2106.9171.2-75.1-88.1000107.7R50 H54R50-F52 PolarHBondContact O-N 3.28Å; R50-F52 VanDerWaalsContact O-N 3.11Å; F52-H54 PolarHBondContact O-N 3.34Å
53A68.4Low73Confident102 Ų102115.6 Ų115.684%0.84363%0.629SS**  trans-80.171.1-179.900000108.6F51 G55F51-A53 PolarHBondContact O-N 2.91Å; A53-G55 PolarHBondContact O-N 3.01Å
54H72.9Confident74.9Confident159 Ų159109.6 Ų109.674%0.73660%0.604SS**PPolyproline II helixtrans-65.8126.4151.8162.463.6000105.9F52F52-H54 PolarHBondContact O-N 3.34Å
55G73.3Confident76.8Confident52 Ų52109.5 Ų109.554%0.53660%0.597SS.*PPolyproline II helixtrans-54.1161.6178.600000111.7A53A53-G55 PolarHBondContact O-N 3.01Å
56I81.2Confident78.8Confident160 Ų160105.2 Ų105.282%0.82157%0.569SS**PPolyproline II helixtrans-55.8127.5175.7-58.6162.8000107.7L58I56-L58 PolarHBondContact O-N 2.87Å
57P82Confident80.4Confident90 Ų90100.3 Ų100.358%0.58454%0.535SS*.PPolyproline II helixtrans-61.3131.6178.425.8-34000109.2T59P57-T59 PolarHBondContact O-N 3.44Å
58L86.2Confident81.7Confident52 Ų5296.4 Ų96.427%0.27251%0.509SS..PPolyproline II helixtrans-75.2122.8177.4-65.3172.7000108.6I56 I63 V138I56-L58 PolarHBondContact O-N 2.87Å; L58-I63 HydrophobicContact CB-CD1 4.45Å; L58-I63 HydrophobicContact CB-CG1 4.34Å; L58-V138 HydrophobicContact CB-CG2 4.45Å; L58-V138 WeakPolarHBondContact O-CG2 2.95Å
59T92.3Very high82.9Confident69 Ų6994.6 Ų94.642%0.42349%0.492SS..PPolyproline II helixtrans-91.9155.5165.760.80000109.1P57 T61 M62 I63P57-T59 PolarHBondContact O-N 3.44Å; T59-T61 PolarHBondContact O-N 3.03Å; T59-T61 PolarHBondContact OG1-OG1 3.44Å; T59-M62 WeakPolarHBondContact O-CB 3.44Å; T59-M62 PolarHBondContact O-N 2.93Å; T59-M62 WeakPolarHBondContact OG1-CG 3.46Å; T59-I63 PolarHBondContact O-N 3.24Å
60K93.1Very high84.5Confident57 Ų5790.8 Ų90.825%0.24847%0.466CS..Hα-helixtrans-53.3-42.6178-179.5179.8177.2173.60112.5M62 I63 E64 V138 D140K60-M62 VanDerWaalsContact C-N 3.28Å; K60-M62 PolarHBondContact O-N 3.03Å; K60-I63 WeakPolarHBondContact O-CB 3.4Å; K60-I63 PolarHBondContact O-N 3.06Å; K60-E64 WeakPolarHBondContact CE-OE1 3.33Å; K60-E64 HydrophobicContact CG-CG 4.4Å; K60-E64 WeakPolarHBondContact O-CG 3.49Å; K60-E64 PolarHBondContact O-N 3.08Å; K60-V138 HydrophobicContact CB-CG1 4.31Å; K60-D140 WeakPolarHBondContact CB-OD1 3.4Å; K60-D140 WeakPolarHBondContact CD-OD1 3.16Å; K60-D140 WeakPolarHBondContact CD-OD2 3.42Å; K60-D140 WeakPolarHBondContact CE-OD2 3.2Å; K60-D140 IonicContact NZ-OD2 2.68Å; K60-D140 PolarHBondContact NZ-OD2 2.89Å
61T94Very high85.9Confident78 Ų7879.6 Ų79.648%0.47942%0.424SS..Hα-helixtrans-56.5-39.8175.753.30000112.9T59 E64 D65T59-T61 PolarHBondContact O-N 3.03Å; T59-T61 PolarHBondContact OG1-OG1 3.44Å; T61-E64 PolarHBondContact O-N 2.87Å; T61-D65 WeakPolarHBondContact O-CB 3.24Å; T61-D65 VanDerWaalsContact O-CG 3.29Å; T61-D65 PolarHBondContact O-N 3.3Å
62M93.5Very high87.7Confident91 Ų9177 Ų7745%0.44841%0.409SS..Hα-helixtrans-69-35.3177.3-64.8-71.410600111.6T59 K60 R66T59-M62 WeakPolarHBondContact O-CB 3.44Å; T59-M62 PolarHBondContact O-N 2.93Å; T59-M62 WeakPolarHBondContact OG1-CG 3.46Å; K60-M62 VanDerWaalsContact C-N 3.28Å; K60-M62 PolarHBondContact O-N 3.03Å; M62-R66 WeakPolarHBondContact O-CB 3.33Å; M62-R66 WeakPolarHBondContact O-CG 3.21Å; M62-R66 PolarHBondContact O-N 3.17Å; M62-R66 VanDerWaalsContact O-N 3.13Å
63I94.9Very high89.3Confident0 Ų071.5 Ų71.50%039%0.388CS..Hα-helixtrans-65.9-49176.4-62.2173000109.6L58 T59 K60 D65 R66 V67 F110 L132 V138L58-I63 HydrophobicContact CB-CD1 4.45Å; L58-I63 HydrophobicContact CB-CG1 4.34Å; T59-I63 PolarHBondContact O-N 3.24Å; K60-I63 WeakPolarHBondContact O-CB 3.4Å; K60-I63 PolarHBondContact O-N 3.06Å; I63-D65 PolarHBondContact O-N 3.29Å; I63-R66 PolarHBondContact O-N 3.3Å; I63-V67 HydrophobicContact CG2-CG2 4.29Å; I63-V67 WeakPolarHBondContact O-CG2 3.34Å; I63-V67 PolarHBondContact O-N 3.26Å; I63-F110 HydrophobicContact CB-CE1 4.49Å; I63-F110 HydrophobicContact CG1-CE1 4.22Å; I63-F110 HydrophobicContact CG2-CE1 4.2Å; I63-F110 HydrophobicContact CG2-CZ 3.98Å; I63-L132 HydrophobicContact CG2-CB 3.79Å; I63-L132 HydrophobicContact CG2-CD1 3.84Å; I63-L132 HydrophobicContact CG2-CG 4.49Å; I63-V138 HydrophobicContact CD1-CB 4.41Å; I63-V138 HydrophobicContact CD1-CG2 4.36Å
64E94.7Very high90.4Very high58 Ų5868.3 Ų68.327%0.27136%0.355SS..Hα-helixtrans-56.6-48.5178-69.1179.4179.200111.9K60 T61 R66 V67 M68 I129K60-E64 WeakPolarHBondContact CE-OE1 3.33Å; K60-E64 HydrophobicContact CG-CG 4.4Å; K60-E64 WeakPolarHBondContact O-CG 3.49Å; K60-E64 PolarHBondContact O-N 3.08Å; T61-E64 PolarHBondContact O-N 2.87Å; E64-R66 VanDerWaalsContact C-N 3.32Å; E64-R66 PolarHBondContact O-N 3.36Å; E64-V67 PolarHBondContact O-N 3.1Å; E64-M68 VanDerWaalsContact O-CB 3.26Å; E64-M68 WeakPolarHBondContact O-CB 3.3Å; E64-M68 PolarHBondContact O-N 3.44Å; E64-I129 HydrophobicContact CB-CD1 4.45Å; E64-I129 HydrophobicContact CG-CD1 3.94Å; E64-I129 HydrophobicContact CG-CG1 4.27Å; E64-I129 HydrophobicContact CG-CG2 3.78Å
65D94.8Very high91.3Very high101 Ų10167.7 Ų67.754%0.5436%0.357SS..Hα-helixtrans-60.8-40.9179.4-76.5-26.5000112T61 I63 L69T61-D65 WeakPolarHBondContact O-CB 3.24Å; T61-D65 VanDerWaalsContact O-CG 3.29Å; T61-D65 PolarHBondContact O-N 3.3Å; I63-D65 PolarHBondContact O-N 3.29Å; D65-L69 WeakPolarHBondContact O-CB 3.27Å; D65-L69 PolarHBondContact O-N 3.22Å
66R94.5Very high92Very high81 Ų8171.4 Ų71.431%0.30636%0.358SS..Hα-helixtrans-70.3-46.7179.5-72.8-177.276-170.71.8112.1M62 I63 E64 M68 L69 V70 E109 F110M62-R66 WeakPolarHBondContact O-CB 3.33Å; M62-R66 WeakPolarHBondContact O-CG 3.21Å; M62-R66 PolarHBondContact O-N 3.17Å; M62-R66 VanDerWaalsContact O-N 3.13Å; I63-R66 PolarHBondContact O-N 3.3Å; E64-R66 VanDerWaalsContact C-N 3.32Å; E64-R66 PolarHBondContact O-N 3.36Å; R66-M68 VanDerWaalsContact C-N 3.3Å; R66-M68 PolarHBondContact O-N 3.25Å; R66-L69 WeakPolarHBondContact O-CB 3.35Å; R66-L69 PolarHBondContact O-N 2.8Å; R66-L69 VanDerWaalsContact O-N 3.16Å; R66-V70 WeakPolarHBondContact O-CG2 3.36Å; R66-V70 PolarHBondContact O-N 3.45Å; R66-V70 VanDerWaalsContact O-N 3.11Å; R66-E109 IonicContact CZ-OE2 3.66Å; R66-E109 IonicContact NE-OE2 2.75Å; R66-E109 PolarHBondContact NH2-O 2.96Å; R66-E109 IonicContact NH2-OE2 3.87Å; R66-E109 PolarHBondContact NH2-OE2 3.23Å; R66-F110 HydrophobicContact CB-CE2 4.41Å; R66-F110 HydrophobicContact CB-CZ 3.83Å
67V95.2Very high92.5Very high1 Ų164 Ų641%0.00632%0.321CS..Hα-helixtrans-58.9-46.1175.7173.90000109.8I63 E64 L69 V70 L71 F110 I128 I129 L132I63-V67 HydrophobicContact CG2-CG2 4.29Å; I63-V67 WeakPolarHBondContact O-CG2 3.34Å; I63-V67 PolarHBondContact O-N 3.26Å; E64-V67 PolarHBondContact O-N 3.1Å; V67-L69 VanDerWaalsContact C-N 3.26Å; V67-L69 PolarHBondContact O-N 3.33Å; V67-V70 PolarHBondContact O-N 3.17Å; V67-L71 HydrophobicContact CG1-CD1 4.25Å; V67-L71 HydrophobicContact CG1-CG 4.41Å; V67-L71 WeakPolarHBondContact O-CG 3.27Å; V67-L71 PolarHBondContact O-N 3.32Å; V67-F110 HydrophobicContact CG2-CE2 3.85Å; V67-F110 HydrophobicContact CG2-CZ 4.07Å; V67-I128 HydrophobicContact CG1-CG2 4.17Å; V67-I128 HydrophobicContact CG2-CG2 4.26Å; V67-I129 HydrophobicContact CB-CG1 4.3Å; V67-I129 HydrophobicContact CG1-CG1 4.33Å; V67-I129 HydrophobicContact CG2-CG1 4.26Å; V67-L132 HydrophobicContact CG2-CD1 3.53Å
68M94.3Very high92.9Very high32 Ų3264.8 Ų64.816%0.15832%0.319CS..Hα-helixtrans-62.5-34178.8-168.964.3167.500112.7E64 R66 R72 I82E64-M68 VanDerWaalsContact O-CB 3.26Å; E64-M68 WeakPolarHBondContact O-CB 3.3Å; E64-M68 PolarHBondContact O-N 3.44Å; R66-M68 VanDerWaalsContact C-N 3.3Å; R66-M68 PolarHBondContact O-N 3.25Å; M68-R72 VanDerWaalsContact O-CG 3.24Å; M68-R72 WeakPolarHBondContact O-CG 3.36Å; M68-R72 PolarHBondContact O-N 3.5Å; M68-R72 VanDerWaalsContact O-N 3.11Å; M68-I82 HydrophobicContact CE-CB 3.57Å; M68-I82 HydrophobicContact CE-CG2 3.56Å; M68-I82 HydrophobicContact SD-CB 4.16Å; M68-I82 HydrophobicContact SD-CG2 3.51Å; M68-I82 VanDerWaalsContact SD-CG2 3.51Å
69L94Very high93.1Very high85 Ų8565 Ų6545%0.44532%0.324SS..Hα-helixtrans-63.4-48.3174.6-172.3159000110.8D65 R66 V67 L71 R72 L73D65-L69 WeakPolarHBondContact O-CB 3.27Å; D65-L69 PolarHBondContact O-N 3.22Å; R66-L69 WeakPolarHBondContact O-CB 3.35Å; R66-L69 PolarHBondContact O-N 2.8Å; R66-L69 VanDerWaalsContact O-N 3.16Å; V67-L69 VanDerWaalsContact C-N 3.26Å; V67-L69 PolarHBondContact O-N 3.33Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L69-L71 PolarHBondContact O-N 2.82Å; L69-R72 PolarHBondContact O-N 3.49Å; L69-L73 HydrophobicContact CD2-CD1 3.5Å; L69-L73 VanDerWaalsContact CD2-CD1 3.5Å; L69-L73 HydrophobicContact CD2-CG 4.08Å; L69-L73 WeakPolarHBondContact O-CG 3.45Å; L69-L73 PolarHBondContact O-N 2.9Å; L69-L73 VanDerWaalsContact O-N 3.15Å
70V94.8Very high93Very high12 Ų1272.7 Ų72.77%0.07335%0.347CS..Hα-helixtrans-58.4-47177.7179.90000111R66 V67 R72 L73 Y74 A105 I106 E109R66-V70 WeakPolarHBondContact O-CG2 3.36Å; R66-V70 PolarHBondContact O-N 3.45Å; R66-V70 VanDerWaalsContact O-N 3.11Å; V67-V70 PolarHBondContact O-N 3.17Å; V70-R72 VanDerWaalsContact C-N 3.28Å; V70-R72 PolarHBondContact O-N 3.42Å; V70-L73 PolarHBondContact O-N 3.07Å; V70-L73 VanDerWaalsContact O-N 3.08Å; V70-Y74 PolarHBondContact O-N 3.35Å; V70-A105 HydrophobicContact CG1-CB 3.9Å; V70-I106 HydrophobicContact CG1-CG1 4.09Å; V70-E109 HydrophobicContact CG2-CB 4.4Å; V70-E109 HydrophobicContact CG2-CG 3.55Å
71L94Very high92.8Very high1 Ų175.4 Ų75.41%0.00536%0.359CS..Hα-helixtrans-61.2-36179.8-64.2-178.9000112.6V67 L69 L73 Y74 I77 I82 F88 L102 P125V67-L71 HydrophobicContact CG1-CD1 4.25Å; V67-L71 HydrophobicContact CG1-CG 4.41Å; V67-L71 WeakPolarHBondContact O-CG 3.27Å; V67-L71 PolarHBondContact O-N 3.32Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L69-L71 PolarHBondContact O-N 2.82Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-Y74 PolarHBondContact O-N 3.3Å; L71-I77 HydrophobicContact CD2-CD1 4.24Å; L71-I82 HydrophobicContact CB-CD1 4Å; L71-I82 HydrophobicContact CD1-CG2 4.16Å; L71-F88 HydrophobicContact CD1-CE1 4.41Å; L71-F88 HydrophobicContact CD1-CZ 4.44Å; L71-F88 HydrophobicContact CD2-CE1 3.88Å; L71-F88 HydrophobicContact CD2-CZ 4.04Å; L71-L102 HydrophobicContact CD2-CD1 3.72Å; L71-L102 HydrophobicContact CD2-CD2 3.8Å; L71-L102 HydrophobicContact CD2-CG 4.09Å; L71-P125 HydrophobicContact CD1-CB 3.72Å; L71-P125 HydrophobicContact CD1-CG 3.6Å
72R93.2Very high92.6Very high132 Ų13272.6 Ų72.650%0.49834%0.341SS..Hα-helixtrans-73.2-23.5177.1-72.9172.7-177.7166.37.1113.6M68 L69 V70 Y74 P79 I82M68-R72 VanDerWaalsContact O-CG 3.24Å; M68-R72 WeakPolarHBondContact O-CG 3.36Å; M68-R72 PolarHBondContact O-N 3.5Å; M68-R72 VanDerWaalsContact O-N 3.11Å; L69-R72 PolarHBondContact O-N 3.49Å; V70-R72 VanDerWaalsContact C-N 3.28Å; V70-R72 PolarHBondContact O-N 3.42Å; R72-Y74 VanDerWaalsContact C-N 3.34Å; R72-P79 HydrophobicContact CB-CB 4.32Å; R72-P79 HydrophobicContact CG-CB 4.01Å; R72-I82 HydrophobicContact CG-CD1 3.78Å
73L93.1Very high92.6Very high89 Ų8970.6 Ų70.647%0.46634%0.339SS..Hα-helixtrans-82.7-15177.7-70.2-178.8000112.6L10 L69 V70 L71 D75L10-L73 HydrophobicContact CD1-CD2 4.16Å; L10-L73 HydrophobicContact CD2-CD2 3.67Å; L10-L73 HydrophobicContact CG-CD2 3.86Å; L69-L73 HydrophobicContact CD2-CD1 3.5Å; L69-L73 VanDerWaalsContact CD2-CD1 3.5Å; L69-L73 HydrophobicContact CD2-CG 4.08Å; L69-L73 WeakPolarHBondContact O-CG 3.45Å; L69-L73 PolarHBondContact O-N 2.9Å; L69-L73 VanDerWaalsContact O-N 3.15Å; V70-L73 PolarHBondContact O-N 3.07Å; V70-L73 VanDerWaalsContact O-N 3.08Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L73-D75 PolarHBondContact O-N 3.12Å
74Y92.9Very high92.5Very high35 Ų3574.3 Ų74.314%0.13736%0.358CS..SBendtrans-77.1123-178.5-161.3-103000111.1V70 L71 R72 K76 I77 D98 E101 L102V70-Y74 PolarHBondContact O-N 3.35Å; L71-Y74 PolarHBondContact O-N 3.3Å; R72-Y74 VanDerWaalsContact C-N 3.34Å; Y74-K76 HydrophobicContact CD1-CB 3.88Å; Y74-K76 HydrophobicContact CD1-CG 4.22Å; Y74-K76 HydrophobicContact CE1-CB 3.75Å; Y74-K76 HydrophobicContact CE1-CG 3.68Å; Y74-K76 PolarHBondContact O-N 3.09Å; Y74-I77 HydrophobicContact CD1-CD1 4.03Å; Y74-I77 HydrophobicContact CD1-CG1 4.03Å; Y74-I77 HydrophobicContact CG-CD1 4.43Å; Y74-I77 PolarHBondContact O-N 3.06Å; Y74-D98 HydrophobicContact CE1-CB 4.33Å; Y74-D98 WeakPolarHBondContact OH-CA 3.26Å; Y74-D98 VanDerWaalsContact OH-CB 3.3Å; Y74-D98 WeakPolarHBondContact OH-CB 3.46Å; Y74-D98 PolarHBondContact OH-O 3.17Å; Y74-D98 PolarHBondContact OH-OD1 3.3Å; Y74-E101 HydrophobicContact CE2-CB 4.2Å; Y74-E101 PolarHBondContact OH-OE2 3.03Å; Y74-L102 HydrophobicContact CD1-CD1 4.33Å; Y74-L102 HydrophobicContact CD2-CD1 4.1Å; Y74-L102 HydrophobicContact CG-CD1 3.94Å
75D91.1Very high92.4Very high145 Ų14577.6 Ų77.678%0.77538%0.377SS*.THydrogen-bonded Turntrans-59.8-23.2-169.1-73.5-24.9000114.4L73L73-D75 PolarHBondContact O-N 3.12Å
76K89Confident92.3Very high130 Ų13073.1 Ų73.157%0.56535%0.354SS*.THydrogen-bonded Turntrans-87.1-12.3-178.9-56.3-62.1-172.2174.50114.2Y74Y74-K76 HydrophobicContact CD1-CB 3.88Å; Y74-K76 HydrophobicContact CD1-CG 4.22Å; Y74-K76 HydrophobicContact CE1-CB 3.75Å; Y74-K76 HydrophobicContact CE1-CG 3.68Å; Y74-K76 PolarHBondContact O-N 3.09Å
77I90.5Very high92.2Very high6 Ų674.9 Ų74.93%0.03136%0.361CS..SBendtrans-107.1121.1-172.7-62.2173.5000109.4L71 Y74 P79 I82 F92 I94 L102L71-I77 HydrophobicContact CD2-CD1 4.24Å; Y74-I77 HydrophobicContact CD1-CD1 4.03Å; Y74-I77 HydrophobicContact CD1-CG1 4.03Å; Y74-I77 HydrophobicContact CG-CD1 4.43Å; Y74-I77 PolarHBondContact O-N 3.06Å; I77-P79 WeakPolarHBondContact O-CD 3.38Å; I77-I82 HydrophobicContact CG2-CD1 3.36Å; I77-I82 HydrophobicContact CG2-CG1 3.34Å; I77-F92 HydrophobicContact CB-CD1 4.45Å; I77-F92 HydrophobicContact CG1-CD1 4.5Å; I77-F92 HydrophobicContact CG2-CD1 3.96Å; I77-F92 HydrophobicContact CG2-CE1 3.66Å; I77-F92 HydrophobicContact CG2-CZ 4.02Å; I77-I94 HydrophobicContact CD1-CD1 3.74Å; I77-I94 HydrophobicContact CG1-CD1 3.71Å; I77-L102 HydrophobicContact CD1-CD1 4.09Å
78D90.9Very high92.1Very high105 Ų10574.9 Ų74.956%0.56136%0.361SS*.  trans-71.5118.9175.6-73.2-40.1000110.9Y80 K81 I82D78-Y80 PolarHBondContact O-N 3.49Å; D78-K81 HydrophobicContact CB-CB 4.17Å; D78-K81 PolarHBondContact O-N 3.45Å; D78-I82 WeakPolarHBondContact O-CG1 3.49Å
79P90Very high91.9Very high58 Ų5878 Ų7838%0.37738%0.378SS..THydrogen-bonded Turntrans-64-17.9-172.925.3-35.5000114R72 I77R72-P79 HydrophobicContact CB-CB 4.32Å; R72-P79 HydrophobicContact CG-CB 4.01Å; I77-P79 WeakPolarHBondContact O-CD 3.38Å
80Y89.9Confident91.9Very high230 Ų23080.4 Ų80.490%0.90239%0.387SS*.THydrogen-bonded Turntrans-88.1-17.3179.3-59.9-73.6000113.8D78D78-Y80 PolarHBondContact O-N 3.49Å
81K89.5Confident91.7Very high114 Ų11483 Ų8350%0.49640%0.401SS..THydrogen-bonded Turntrans-99.1-12.6-175.9-166.1-179.7177.6-168.20112.8D78 A83 D91 F92D78-K81 HydrophobicContact CB-CB 4.17Å; D78-K81 PolarHBondContact O-N 3.45Å; K81-A83 PolarHBondContact O-N 3.23Å; K81-D91 PolarHBondContact NZ-O 2.93Å; K81-F92 HydrophobicContact CB-CE1 4.08Å; K81-F92 HydrophobicContact CD-CE1 4.29Å; K81-F92 HydrophobicContact CG-CE1 4.31Å
82I90.5Very high91.6Very high18 Ų1884.6 Ų84.69%0.09241%0.408CS..  trans-67.1118.9-176.8-49.4171000110.7M68 L71 R72 I77 D78 F92M68-I82 HydrophobicContact CE-CB 3.57Å; M68-I82 HydrophobicContact CE-CG2 3.56Å; M68-I82 HydrophobicContact SD-CB 4.16Å; M68-I82 HydrophobicContact SD-CG2 3.51Å; M68-I82 VanDerWaalsContact SD-CG2 3.51Å; L71-I82 HydrophobicContact CB-CD1 4Å; L71-I82 HydrophobicContact CD1-CG2 4.16Å; R72-I82 HydrophobicContact CG-CD1 3.78Å; I77-I82 HydrophobicContact CG2-CD1 3.36Å; I77-I82 HydrophobicContact CG2-CG1 3.34Å; D78-I82 WeakPolarHBondContact O-CG1 3.49Å; I82-F92 HydrophobicContact CG1-CE1 4.4Å; I82-F92 HydrophobicContact CG1-CZ 4.1Å
83A93.2Very high91.5Very high49 Ų4981.1 Ų81.141%0.40541%0.412SS..  trans-121.6153.8168.300000109.4K81 N85 S86K81-A83 PolarHBondContact O-N 3.23Å; A83-N85 PolarHBondContact O-N 3.48Å; A83-N85 VanDerWaalsContact O-N 3.14Å; A83-S86 PolarHBondContact N-OG 3.5Å; A83-S86 WeakPolarHBondContact O-CB 3.37Å; A83-S86 PolarHBondContact O-N 3.33Å; A83-S86 PolarHBondContact O-OG 3.35Å
84L92.3Very high91.4Very high79 Ų7977.3 Ų77.341%0.41439%0.392SS..THydrogen-bonded Turntrans-58.2-30.7178.8-62.7177.7000112.7P125 Q126 I129L84-P125 WeakPolarHBondContact O-CD 3.39Å; L84-Q126 WeakPolarHBondContact O-CB 3.47Å; L84-Q126 PolarHBondContact O-N 2.88Å; L84-I129 HydrophobicContact CD2-CD1 3.76Å
85N93Very high91.4Very high126 Ų12679.5 Ų79.567%0.67441%0.406SS*.THydrogen-bonded Turntrans-94.83.8-178.4-55.1-21.5000113.4A83 Q126A83-N85 PolarHBondContact O-N 3.48Å; A83-N85 VanDerWaalsContact O-N 3.14Å; N85-Q126 PolarHBondContact OD1-OE1 3Å
86S92.6Very high91.4Very high7 Ų777.5 Ų77.55%0.04940%0.404CS..  trans-72.4144.5179.660.50000111A83 D91 F92 S124 P125A83-S86 PolarHBondContact N-OG 3.5Å; A83-S86 WeakPolarHBondContact O-CB 3.37Å; A83-S86 PolarHBondContact O-N 3.33Å; A83-S86 PolarHBondContact O-OG 3.35Å; S86-D91 VanDerWaalsContact CA-OD2 3.26Å; S86-D91 WeakPolarHBondContact CA-OD2 3.46Å; S86-D91 WeakPolarHBondContact CB-OD2 3.32Å; S86-F92 WeakPolarHBondContact OG-CE2 3.33Å; S86-S124 WeakPolarHBondContact O-CA 3.4Å; S86-S124 WeakPolarHBondContact O-CB 3.39Å; S86-P125 WeakPolarHBondContact O-CD 3.47Å
87R92.6Very high91.5Very high118 Ų11876.6 Ų76.645%0.44541%0.405SS..  trans-99.2127.3179.1-73.6-177.3173.6-168.2-0.7110.5N89 E90 D91 L123R87-N89 VanDerWaalsContact C-N 3.32Å; R87-N89 PolarHBondContact O-N 2.93Å; R87-E90 HydrophobicContact CB-CB 4.11Å; R87-E90 HydrophobicContact CB-CG 4.47Å; R87-E90 VanDerWaalsContact CD-CD 3.48Å; R87-E90 WeakPolarHBondContact CD-OE1 3.36Å; R87-E90 WeakPolarHBondContact CD-OE2 3.4Å; R87-E90 IonicContact CZ-OE1 3.81Å; R87-E90 IonicContact NH1-OE1 2.87Å; R87-E90 PolarHBondContact NH1-OE1 3.39Å; R87-E90 IonicContact NH1-OE2 3.95Å; R87-E90 PolarHBondContact O-N 3.23Å; R87-D91 PolarHBondContact N-OD2 2.75Å; R87-D91 WeakPolarHBondContact O-CB 3.49Å; R87-D91 PolarHBondContact O-N 2.84Å; R87-L123 WeakPolarHBondContact CA-O 3.35Å
88F92.3Very high91.7Very high2 Ų277.6 Ų77.61%0.00941%0.41CS..Iπ-helixtrans-57.2-43.5-177.2-64.7-57.7000113.1L71 F92 G93 I94 L102 L123 P125 I128L71-F88 HydrophobicContact CD1-CE1 4.41Å; L71-F88 HydrophobicContact CD1-CZ 4.44Å; L71-F88 HydrophobicContact CD2-CE1 3.88Å; L71-F88 HydrophobicContact CD2-CZ 4.04Å; F88-F92 HydrophobicContact CD1-CD2 4.49Å; F88-F92 PolarHBondContact O-N 2.98Å; F88-G93 PolarHBondContact O-N 3Å; F88-I94 HydrophobicContact CB-CD1 4.14Å; F88-I94 HydrophobicContact CD1-CD1 3.97Å; F88-I94 HydrophobicContact CG-CD1 4.44Å; F88-I94 PolarHBondContact O-N 2.75Å; F88-L102 HydrophobicContact CD1-CD2 4.31Å; F88-L102 HydrophobicContact CE1-CD2 3.93Å; F88-L102 HydrophobicContact CE2-CD2 4.29Å; F88-L102 HydrophobicContact CZ-CD2 3.92Å; F88-L123 VanDerWaalsContact CD2-O 3.32Å; F88-L123 WeakPolarHBondContact CD2-O 3.17Å; F88-L123 PolarHBondContact N-O 3Å; F88-P125 HydrophobicContact CE1-CG 4.06Å; F88-P125 HydrophobicContact CZ-CB 4.49Å; F88-P125 HydrophobicContact CZ-CG 3.76Å; F88-I128 HydrophobicContact CE2-CD1 3.8Å; F88-I128 HydrophobicContact CZ-CD1 3.86Å
89N91.5Very high91.8Very high97 Ų9773.6 Ų73.652%0.51939%0.388SS..Iπ-helixtrans-75.3-41.5-177.4-60.8-9.5000112.8R87 G93R87-N89 VanDerWaalsContact C-N 3.32Å; R87-N89 PolarHBondContact O-N 2.93Å; N89-G93 WeakPolarHBondContact O-CA 3.44Å; N89-G93 PolarHBondContact O-N 3.06Å
90E92.1Very high92Very high136 Ų13674.5 Ų74.564%0.63639%0.392SS*.Iπ-helixtrans-85.1-40.5-172.4-65.7172.5-154.900112.5R87R87-E90 HydrophobicContact CB-CB 4.11Å; R87-E90 HydrophobicContact CB-CG 4.47Å; R87-E90 VanDerWaalsContact CD-CD 3.48Å; R87-E90 WeakPolarHBondContact CD-OE1 3.36Å; R87-E90 WeakPolarHBondContact CD-OE2 3.4Å; R87-E90 IonicContact CZ-OE1 3.81Å; R87-E90 IonicContact NH1-OE1 2.87Å; R87-E90 PolarHBondContact NH1-OE1 3.39Å; R87-E90 IonicContact NH1-OE2 3.95Å; R87-E90 PolarHBondContact O-N 3.23Å
91D92.4Very high92.2Very high67 Ų6767.9 Ų67.936%0.35837%0.369SS..Iπ-helixtrans-89.2-34.5-173.7-69.8-48.4000113.3K81 S86 R87K81-D91 PolarHBondContact NZ-O 2.93Å; S86-D91 VanDerWaalsContact CA-OD2 3.26Å; S86-D91 WeakPolarHBondContact CA-OD2 3.46Å; S86-D91 WeakPolarHBondContact CB-OD2 3.32Å; R87-D91 PolarHBondContact N-OD2 2.75Å; R87-D91 WeakPolarHBondContact O-CB 3.49Å; R87-D91 PolarHBondContact O-N 2.84Å
92F91.1Very high92.4Very high34 Ų3462.5 Ų62.515%0.14935%0.346CS..Iπ-helixtrans-111.1-17-175.5-58.2-77.6000113.1I77 K81 I82 S86 F88 I94I77-F92 HydrophobicContact CB-CD1 4.45Å; I77-F92 HydrophobicContact CG1-CD1 4.5Å; I77-F92 HydrophobicContact CG2-CD1 3.96Å; I77-F92 HydrophobicContact CG2-CE1 3.66Å; I77-F92 HydrophobicContact CG2-CZ 4.02Å; K81-F92 HydrophobicContact CB-CE1 4.08Å; K81-F92 HydrophobicContact CD-CE1 4.29Å; K81-F92 HydrophobicContact CG-CE1 4.31Å; I82-F92 HydrophobicContact CG1-CE1 4.4Å; I82-F92 HydrophobicContact CG1-CZ 4.1Å; S86-F92 WeakPolarHBondContact OG-CE2 3.33Å; F88-F92 HydrophobicContact CD1-CD2 4.49Å; F88-F92 PolarHBondContact O-N 2.98Å; F92-I94 VanDerWaalsContact C-N 3.26Å; F92-I94 HydrophobicContact CB-CD1 4.05Å; F92-I94 HydrophobicContact CB-CG1 3.79Å; F92-I94 PolarHBondContact O-N 3.31Å
93G90.6Very high92.6Very high58 Ų5862 Ų6260%0.59834%0.344SS*.  trans65.830.5-17900000113F88 N89F88-G93 PolarHBondContact O-N 3Å; N89-G93 WeakPolarHBondContact O-CA 3.44Å; N89-G93 PolarHBondContact O-N 3.06Å
94I91.3Very high92.6Very high9 Ų964.9 Ų64.95%0.04635%0.35CS..  trans-65.1135.1175.9-64179.6000108.5I77 F88 F92 D98I77-I94 HydrophobicContact CD1-CD1 3.74Å; I77-I94 HydrophobicContact CG1-CD1 3.71Å; F88-I94 HydrophobicContact CB-CD1 4.14Å; F88-I94 HydrophobicContact CD1-CD1 3.97Å; F88-I94 HydrophobicContact CG-CD1 4.44Å; F88-I94 PolarHBondContact O-N 2.75Å; F92-I94 VanDerWaalsContact C-N 3.26Å; F92-I94 HydrophobicContact CB-CD1 4.05Å; F92-I94 HydrophobicContact CB-CG1 3.79Å; F92-I94 PolarHBondContact O-N 3.31Å; I94-D98 HydrophobicContact CG2-CB 3.44Å; I94-D98 VanDerWaalsContact CG2-CB 3.44Å
95D92.2Very high92.7Very high81 Ų8162.8 Ų62.843%0.43334%0.344SS..  trans-85.6174.8177.276.916.6000111.9L97 D98 H99D95-L97 PolarHBondContact O-N 3.49Å; D95-L97 WeakPolarHBondContact OD1-CA 3.36Å; D95-L97 WeakPolarHBondContact OD1-CB 3.34Å; D95-L97 PolarHBondContact OD1-N 3.13Å; D95-D98 WeakPolarHBondContact OD1-CB 3.37Å; D95-D98 PolarHBondContact OD1-N 2.69Å; D95-H99 PolarHBondContact O-N 3.04Å; D95-H99 VanDerWaalsContact O-N 3.08Å
96S91.4Very high92.9Very high104 Ų10456.9 Ų56.973%0.72731%0.313SS*.Hα-helixtrans-66.3-22.9-178.955.80000113.8V100S96-V100 WeakPolarHBondContact O-CG2 3.48Å
97L92.6Very high93Very high111 Ų11158.8 Ų58.858%0.58132%0.321SS*.Hα-helixtrans-81.9-46.3-179.1-177.662.2000110.1D95 H99 V100 E101D95-L97 PolarHBondContact O-N 3.49Å; D95-L97 WeakPolarHBondContact OD1-CA 3.36Å; D95-L97 WeakPolarHBondContact OD1-CB 3.34Å; D95-L97 PolarHBondContact OD1-N 3.13Å; L97-H99 PolarHBondContact O-N 3.48Å; L97-V100 PolarHBondContact O-N 3.21Å; L97-V100 VanDerWaalsContact O-N 3.08Å; L97-E101 PolarHBondContact O-N 2.87Å
98D93.5Very high93.1Very high27 Ų2760.4 Ų60.414%0.14433%0.333CS..Hα-helixtrans-58-36.6173.6-70.2-16.7000110.7Y74 I94 D95 V100 E101 L102Y74-D98 HydrophobicContact CE1-CB 4.33Å; Y74-D98 WeakPolarHBondContact OH-CA 3.26Å; Y74-D98 VanDerWaalsContact OH-CB 3.3Å; Y74-D98 WeakPolarHBondContact OH-CB 3.46Å; Y74-D98 PolarHBondContact OH-O 3.17Å; Y74-D98 PolarHBondContact OH-OD1 3.3Å; I94-D98 HydrophobicContact CG2-CB 3.44Å; I94-D98 VanDerWaalsContact CG2-CB 3.44Å; D95-D98 WeakPolarHBondContact OD1-CB 3.37Å; D95-D98 PolarHBondContact OD1-N 2.69Å; D98-V100 PolarHBondContact O-N 3.11Å; D98-E101 PolarHBondContact O-N 2.73Å; D98-L102 PolarHBondContact O-N 3.11Å
99H93.2Very high93.2Very high21 Ų2163.9 Ų63.910%0.09735%0.35CS..Hα-helixtrans-60.1-42.4174.2-174.673000112.9D95 L97 E101 L102 V103 S119 F122D95-H99 PolarHBondContact O-N 3.04Å; D95-H99 VanDerWaalsContact O-N 3.08Å; L97-H99 PolarHBondContact O-N 3.48Å; H99-E101 VanDerWaalsContact C-N 3.34Å; H99-L102 WeakPolarHBondContact O-CB 3.4Å; H99-L102 PolarHBondContact O-N 3.08Å; H99-V103 WeakPolarHBondContact O-CG2 3.37Å; H99-V103 PolarHBondContact O-N 3.15Å; H99-V103 VanDerWaalsContact O-N 3.1Å; H99-S119 PolarHBondContact NE2-O 2.92Å; H99-F122 PolarHBondContact CE1-O 3.31Å
100V93.9Very high93.3Very high76 Ų7659.9 Ų59.946%0.46133%0.328SS..Hα-helixtrans-66.7-37.5178173.50000111S96 L97 D98 V103 M104S96-V100 WeakPolarHBondContact O-CG2 3.48Å; L97-V100 PolarHBondContact O-N 3.21Å; L97-V100 VanDerWaalsContact O-N 3.08Å; D98-V100 PolarHBondContact O-N 3.11Å; V100-V103 PolarHBondContact O-N 3.44Å; V100-M104 WeakPolarHBondContact O-CB 3.47Å; V100-M104 PolarHBondContact O-N 2.99Å
101E93.5Very high93.3Very high91 Ų9160.2 Ų60.243%0.42533%0.334SS..Hα-helixtrans-63.9-41.4174.4-64.1-177.3171.200112.2Y74 L97 D98 H99 M104 A105Y74-E101 HydrophobicContact CE2-CB 4.2Å; Y74-E101 PolarHBondContact OH-OE2 3.03Å; L97-E101 PolarHBondContact O-N 2.87Å; D98-E101 PolarHBondContact O-N 2.73Å; H99-E101 VanDerWaalsContact C-N 3.34Å; E101-M104 PolarHBondContact O-N 3.43Å; E101-A105 PolarHBondContact O-N 3.31Å
102L93.8Very high93.3Very high1 Ų158.2 Ų58.21%0.00532%0.323CS..Hα-helixtrans-60.3-46.4177-167.279.3000111.5L71 Y74 I77 F88 D98 H99 M104 A105 I106L71-L102 HydrophobicContact CD2-CD1 3.72Å; L71-L102 HydrophobicContact CD2-CD2 3.8Å; L71-L102 HydrophobicContact CD2-CG 4.09Å; Y74-L102 HydrophobicContact CD1-CD1 4.33Å; Y74-L102 HydrophobicContact CD2-CD1 4.1Å; Y74-L102 HydrophobicContact CG-CD1 3.94Å; I77-L102 HydrophobicContact CD1-CD1 4.09Å; F88-L102 HydrophobicContact CD1-CD2 4.31Å; F88-L102 HydrophobicContact CE1-CD2 3.93Å; F88-L102 HydrophobicContact CE2-CD2 4.29Å; F88-L102 HydrophobicContact CZ-CD2 3.92Å; D98-L102 PolarHBondContact O-N 3.11Å; H99-L102 WeakPolarHBondContact O-CB 3.4Å; H99-L102 PolarHBondContact O-N 3.08Å; L102-M104 VanDerWaalsContact C-N 3.35Å; L102-A105 PolarHBondContact O-N 3.47Å; L102-I106 HydrophobicContact CG-CD1 4.28Å; L102-I106 WeakPolarHBondContact O-CD1 3.24Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.49Å; L102-I106 VanDerWaalsContact O-N 3.12Å
103V94.7Very high93.5Very high7 Ų764.4 Ų64.44%0.04235%0.352CS..Hα-helixtrans-62.4-44.7178.3172.70000110.4H99 V100 A105 I106 E107 I114 F122H99-V103 WeakPolarHBondContact O-CG2 3.37Å; H99-V103 PolarHBondContact O-N 3.15Å; H99-V103 VanDerWaalsContact O-N 3.1Å; V100-V103 PolarHBondContact O-N 3.44Å; V103-A105 VanDerWaalsContact C-N 3.29Å; V103-A105 PolarHBondContact O-N 3.35Å; V103-I106 WeakPolarHBondContact O-CB 3.33Å; V103-I106 PolarHBondContact O-N 2.97Å; V103-E107 HydrophobicContact CG1-CG 4.37Å; V103-E107 WeakPolarHBondContact O-CG 3.5Å; V103-E107 PolarHBondContact O-N 3.5Å; V103-I114 HydrophobicContact CG1-CD1 4.42Å; V103-F122 HydrophobicContact CG2-CD2 4.11Å
104M94.2Very high93.8Very high111 Ų11162.2 Ų62.255%0.54733%0.327SS..Hα-helixtrans-59.6-38.9177.4-169.3-176.8-51.800112.4V100 E101 L102 I106 E107 E108V100-M104 WeakPolarHBondContact O-CB 3.47Å; V100-M104 PolarHBondContact O-N 2.99Å; E101-M104 PolarHBondContact O-N 3.43Å; L102-M104 VanDerWaalsContact C-N 3.35Å; M104-I106 VanDerWaalsContact C-N 3.34Å; M104-E107 PolarHBondContact O-N 3.02Å; M104-E108 PolarHBondContact O-N 3Å; M104-E108 VanDerWaalsContact O-N 3.09Å
105A95.1Very high94Very high34 Ų3464.7 Ų64.728%0.28134%0.344SS..Hα-helixtrans-65.8-36.3175.200000112.5V70 E101 L102 V103 E109V70-A105 HydrophobicContact CG1-CB 3.9Å; E101-A105 PolarHBondContact O-N 3.31Å; L102-A105 PolarHBondContact O-N 3.47Å; V103-A105 VanDerWaalsContact C-N 3.29Å; V103-A105 PolarHBondContact O-N 3.35Å; A105-E109 WeakPolarHBondContact O-CG 3.42Å; A105-E109 PolarHBondContact O-N 3.13Å
106I95.7Very high94Very high2 Ų266.7 Ų66.71%0.0135%0.354CS..Hα-helixtrans-70.7-40.3176.5-66.8159.6000111V70 L102 V103 M104 E108 E109 F110 I128 L132V70-I106 HydrophobicContact CG1-CG1 4.09Å; L102-I106 HydrophobicContact CG-CD1 4.28Å; L102-I106 WeakPolarHBondContact O-CD1 3.24Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.49Å; L102-I106 VanDerWaalsContact O-N 3.12Å; V103-I106 WeakPolarHBondContact O-CB 3.33Å; V103-I106 PolarHBondContact O-N 2.97Å; M104-I106 VanDerWaalsContact C-N 3.34Å; I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 PolarHBondContact O-N 3.37Å; I106-E109 PolarHBondContact O-N 3.28Å; I106-F110 HydrophobicContact CG2-CD2 4.1Å; I106-F110 HydrophobicContact CG2-CE2 4.43Å; I106-F110 WeakPolarHBondContact O-CD2 3.41Å; I106-F110 PolarHBondContact O-N 3.3Å; I106-F110 VanDerWaalsContact O-N 3.13Å; I106-I128 HydrophobicContact CD1-CD1 3.8Å; I106-I128 HydrophobicContact CD1-CG2 4.01Å; I106-I128 HydrophobicContact CG2-CG2 4.13Å; I106-L132 HydrophobicContact CG2-CD1 4.3Å
107E95.7Very high94.2Very high47 Ų4767.6 Ų67.622%0.2235%0.348CS..Hα-helixtrans-57.9-45.4174.5-74-179.2150.200112.1V103 M104 E109 F110 N111 I112 I114V103-E107 HydrophobicContact CG1-CG 4.37Å; V103-E107 WeakPolarHBondContact O-CG 3.5Å; V103-E107 PolarHBondContact O-N 3.5Å; M104-E107 PolarHBondContact O-N 3.02Å; E107-E109 PolarHBondContact O-N 3.43Å; E107-F110 PolarHBondContact O-N 3.31Å; E107-N111 VanDerWaalsContact O-CA 3.27Å; E107-N111 WeakPolarHBondContact O-CA 3.3Å; E107-N111 PolarHBondContact O-N 3.08Å; E107-I112 WeakPolarHBondContact CB-O 3.37Å; E107-I112 PolarHBondContact O-N 3.41Å; E107-I114 HydrophobicContact CG-CB 4.22Å; E107-I114 HydrophobicContact CG-CD1 3.88Å; E107-I114 HydrophobicContact CG-CG1 3.83Å; E107-I114 WeakPolarHBondContact OE1-CA 3.46Å; E107-I114 WeakPolarHBondContact OE1-CB 3.17Å; E107-I114 PolarHBondContact OE1-N 3.46Å; E107-I114 VanDerWaalsContact OE1-O 3.14Å
108E95.1Very high94.2Very high152 Ų15264.4 Ų64.471%0.7133%0.332SS*.Hα-helixtrans-62.5-41.6177.5-172.7173.4-178.200111.8M104 I106 N111M104-E108 PolarHBondContact O-N 3Å; M104-E108 VanDerWaalsContact O-N 3.09Å; I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 PolarHBondContact O-N 3.37Å; E108-N111 PolarHBondContact O-N 3.32Å; E108-N111 PolarHBondContact O-ND2 3.47Å
109E93.3Very high94.2Very high75 Ų7563.5 Ų63.535%0.3533%0.328SS..Hα-helixtrans-63.7-46.9178.8-80.7-67.3152.300112.9R66 V70 A105 I106 E107 N111R66-E109 IonicContact CZ-OE2 3.66Å; R66-E109 IonicContact NE-OE2 2.75Å; R66-E109 PolarHBondContact NH2-O 2.96Å; R66-E109 IonicContact NH2-OE2 3.87Å; R66-E109 PolarHBondContact NH2-OE2 3.23Å; V70-E109 HydrophobicContact CG2-CB 4.4Å; V70-E109 HydrophobicContact CG2-CG 3.55Å; A105-E109 WeakPolarHBondContact O-CG 3.42Å; A105-E109 PolarHBondContact O-N 3.13Å; I106-E109 PolarHBondContact O-N 3.28Å; E107-E109 PolarHBondContact O-N 3.43Å; E109-N111 VanDerWaalsContact C-N 3.35Å; E109-N111 PolarHBondContact O-ND2 3.18Å
110F93.6Very high94.2Very high14 Ų1468.8 Ų68.86%0.06135%0.352CS..Hα-helixtrans-87.5-7.1-178.4-70.6-84.9000113.3I63 R66 V67 I106 E107 I112 L132 H136I63-F110 HydrophobicContact CB-CE1 4.49Å; I63-F110 HydrophobicContact CG1-CE1 4.22Å; I63-F110 HydrophobicContact CG2-CE1 4.2Å; I63-F110 HydrophobicContact CG2-CZ 3.98Å; R66-F110 HydrophobicContact CB-CE2 4.41Å; R66-F110 HydrophobicContact CB-CZ 3.83Å; V67-F110 HydrophobicContact CG2-CE2 3.85Å; V67-F110 HydrophobicContact CG2-CZ 4.07Å; I106-F110 HydrophobicContact CG2-CD2 4.1Å; I106-F110 HydrophobicContact CG2-CE2 4.43Å; I106-F110 WeakPolarHBondContact O-CD2 3.41Å; I106-F110 PolarHBondContact O-N 3.3Å; I106-F110 VanDerWaalsContact O-N 3.13Å; E107-F110 PolarHBondContact O-N 3.31Å; F110-I112 VanDerWaalsContact C-N 3.32Å; F110-I112 HydrophobicContact CB-CD1 4.27Å; F110-I112 HydrophobicContact CB-CG1 4.05Å; F110-I112 HydrophobicContact CB-CG2 4.31Å; F110-L132 HydrophobicContact CB-CD2 4.29Å; F110-L132 HydrophobicContact CD1-CD2 4.44Å; F110-L132 HydrophobicContact CD2-CD1 3.81Å; F110-L132 HydrophobicContact CD2-CD2 4.06Å; F110-L132 HydrophobicContact CE1-CD1 4.35Å; F110-L132 HydrophobicContact CE2-CD1 3.5Å; F110-L132 VanDerWaalsContact CE2-CD1 3.5Å; F110-L132 HydrophobicContact CG-CD1 4.36Å; F110-L132 HydrophobicContact CG-CD2 4Å; F110-L132 HydrophobicContact CZ-CD1 3.79Å; F110-H136 AromaticContact CD1-NE2 3.87Å
111N92.7Very high94.1Very high143 Ų14373.1 Ų73.177%0.76536%0.36SS*.THydrogen-bonded Turntrans53.249.4-174.6-61.3-90.2000111.6E107 E108 E109E107-N111 VanDerWaalsContact O-CA 3.27Å; E107-N111 WeakPolarHBondContact O-CA 3.3Å; E107-N111 PolarHBondContact O-N 3.08Å; E108-N111 PolarHBondContact O-N 3.32Å; E108-N111 PolarHBondContact O-ND2 3.47Å; E109-N111 VanDerWaalsContact C-N 3.35Å; E109-N111 PolarHBondContact O-ND2 3.18Å
112I93.2Very high94.2Very high25 Ų2569.3 Ų69.313%0.12834%0.343CS..  trans-125.9159.2178.563.8171.1000110.5E107 F110 I114 L132 R135E107-I112 WeakPolarHBondContact CB-O 3.37Å; E107-I112 PolarHBondContact O-N 3.41Å; F110-I112 VanDerWaalsContact C-N 3.32Å; F110-I112 HydrophobicContact CB-CD1 4.27Å; F110-I112 HydrophobicContact CB-CG1 4.05Å; F110-I112 HydrophobicContact CB-CG2 4.31Å; I112-I114 HydrophobicContact CD1-CD1 4.08Å; I112-I114 HydrophobicContact CD1-CG1 3.93Å; I112-I114 HydrophobicContact CG1-CG1 4.2Å; I112-L132 HydrophobicContact CD1-CD2 3.37Å; I112-R135 HydrophobicContact CD1-CG 4.49Å
113E95.1Very high94.1Very high164 Ų16473.3 Ų73.377%0.76636%0.363SS*.  trans-105.9124171-63.9175.8178.700109.2R135E113-R135 PolarHBondContact O-NH2 2.66Å
114I95.6Very high94.1Very high11 Ų1173.6 Ų73.66%0.05637%0.366CS..  trans-108.1124.2177.2-54.1176.3000108V103 E107 I112 D118 F122 Y131V103-I114 HydrophobicContact CG1-CD1 4.42Å; E107-I114 HydrophobicContact CG-CB 4.22Å; E107-I114 HydrophobicContact CG-CD1 3.88Å; E107-I114 HydrophobicContact CG-CG1 3.83Å; E107-I114 WeakPolarHBondContact OE1-CA 3.46Å; E107-I114 WeakPolarHBondContact OE1-CB 3.17Å; E107-I114 PolarHBondContact OE1-N 3.46Å; E107-I114 VanDerWaalsContact OE1-O 3.14Å; I112-I114 HydrophobicContact CD1-CD1 4.08Å; I112-I114 HydrophobicContact CD1-CG1 3.93Å; I112-I114 HydrophobicContact CG1-CG1 4.2Å; I114-D118 HydrophobicContact CG2-CB 4.3Å; I114-F122 HydrophobicContact CD1-CE2 4.1Å; I114-F122 HydrophobicContact CD1-CZ 4.44Å; I114-F122 HydrophobicContact CG2-CE2 4.03Å; I114-F122 HydrophobicContact CG2-CZ 4.15Å; I114-Y131 HydrophobicContact CD1-CD1 4.45Å; I114-Y131 HydrophobicContact CD1-CE1 4.1Å; I114-Y131 HydrophobicContact CG1-CE1 3.87Å; I114-Y131 HydrophobicContact CG2-CE1 4.04Å
115P95.8Very high94.1Very high62 Ų6268.3 Ų68.340%0.40334%0.34SS..  trans-69.2146177.429.6-34.1000111.3M117 D118 S119P115-M117 PolarHBondContact O-N 3.14Å; P115-D118 HydrophobicContact CG-CB 4.04Å; P115-D118 VanDerWaalsContact CG-OD2 3.27Å; P115-D118 WeakPolarHBondContact CG-OD2 3.36Å; P115-D118 PolarHBondContact O-N 3.22Å; P115-S119 PolarHBondContact O-N 3.42Å; P115-S119 VanDerWaalsContact O-N 3.08Å
116D93.3Very high94.1Very high122 Ų12271.7 Ų71.765%0.65235%0.35SS*.Hα-helixtrans-52.9-32180-65.7-16.7000113.8D118 S119 Q120D116-D118 VanDerWaalsContact C-N 3.3Å; D116-D118 PolarHBondContact O-N 3.24Å; D116-S119 WeakPolarHBondContact CA-OG 3.43Å; D116-S119 PolarHBondContact O-OG 3.16Å; D116-S119 VanDerWaalsContact O-OG 3.06Å; D116-Q120 VanDerWaalsContact O-CG 3.24Å; D116-Q120 WeakPolarHBondContact O-CG 3.41Å; D116-Q120 PolarHBondContact O-N 3.03Å
117M93.8Very high94.1Very high123 Ų12374.6 Ų74.661%0.60637%0.365SS*.Hα-helixtrans-67.2-30.6179.7-65.7-58.6-58.900113.1P115P115-M117 PolarHBondContact O-N 3.14Å
118D94.4Very high94Very high44 Ų4472.4 Ų72.424%0.23536%0.355CS..Hα-helixtrans-89.9-37178.5-68.2-25.3000110.5I114 P115 D116 Q120 R121 Y131I114-D118 HydrophobicContact CG2-CB 4.3Å; P115-D118 HydrophobicContact CG-CB 4.04Å; P115-D118 VanDerWaalsContact CG-OD2 3.27Å; P115-D118 WeakPolarHBondContact CG-OD2 3.36Å; P115-D118 PolarHBondContact O-N 3.22Å; D116-D118 VanDerWaalsContact C-N 3.3Å; D116-D118 PolarHBondContact O-N 3.24Å; D118-Q120 VanDerWaalsContact C-N 3.27Å; D118-Q120 PolarHBondContact O-N 3.4Å; D118-R121 WeakPolarHBondContact O-CB 3.47Å; D118-R121 PolarHBondContact O-N 3.01Å; D118-R121 IonicContact OD1-CZ 3.76Å; D118-R121 IonicContact OD1-NH1 3.78Å; D118-Y131 HydrophobicContact CB-CE2 4.03Å
119S93.6Very high94.1Very high9 Ų965.6 Ų65.66%0.06332%0.324CS..Hα-helixtrans-61.7-33.4178.570.80000113.3H99 P115 D116 R121 F122H99-S119 PolarHBondContact NE2-O 2.92Å; P115-S119 PolarHBondContact O-N 3.42Å; P115-S119 VanDerWaalsContact O-N 3.08Å; D116-S119 WeakPolarHBondContact CA-OG 3.43Å; D116-S119 PolarHBondContact O-OG 3.16Å; D116-S119 VanDerWaalsContact O-OG 3.06Å; S119-R121 PolarHBondContact O-N 3.45Å; S119-F122 PolarHBondContact O-N 2.91Å
120Q92.7Very high94.1Very high131 Ų13166.6 Ų66.661%0.61233%0.328SS*.THydrogen-bonded Turntrans-64.9-17.3174.4-73.7172.118.300113.9D116 D118D116-Q120 VanDerWaalsContact O-CG 3.24Å; D116-Q120 WeakPolarHBondContact O-CG 3.41Å; D116-Q120 PolarHBondContact O-N 3.03Å; D118-Q120 VanDerWaalsContact C-N 3.27Å; D118-Q120 PolarHBondContact O-N 3.4Å
121R92.4Very high94.2Very high167 Ų16767.9 Ų67.963%0.6333%0.333SS*.THydrogen-bonded Turntrans-87.5-11-179.3-59.4178.3-178.7172.31.2113.2D118 S119 L123D118-R121 WeakPolarHBondContact O-CB 3.47Å; D118-R121 PolarHBondContact O-N 3.01Å; D118-R121 IonicContact OD1-CZ 3.76Å; D118-R121 IonicContact OD1-NH1 3.78Å; S119-R121 PolarHBondContact O-N 3.45Å; R121-L123 PolarHBondContact O-N 3.23Å
122F93.7Very high94.3Very high11 Ų1161.1 Ų61.15%0.04830%0.297CS..  trans-73.793.3179.8-60.1-30.9000110.7H99 V103 I114 S119 D127 I128 Y131H99-F122 PolarHBondContact CE1-O 3.31Å; V103-F122 HydrophobicContact CG2-CD2 4.11Å; I114-F122 HydrophobicContact CD1-CE2 4.1Å; I114-F122 HydrophobicContact CD1-CZ 4.44Å; I114-F122 HydrophobicContact CG2-CE2 4.03Å; I114-F122 HydrophobicContact CG2-CZ 4.15Å; S119-F122 PolarHBondContact O-N 2.91Å; F122-D127 HydrophobicContact CD1-CB 4.16Å; F122-I128 HydrophobicContact CB-CD1 4.33Å; F122-I128 HydrophobicContact CB-CG1 3.81Å; F122-I128 HydrophobicContact CD1-CG1 4.03Å; F122-I128 HydrophobicContact CD2-CG1 3.93Å; F122-I128 HydrophobicContact CG-CG1 3.67Å; F122-Y131 HydrophobicContact CE1-CD1 4.35Å; F122-Y131 HydrophobicContact CE1-CD2 4.19Å; F122-Y131 AromaticContact CE1-CG 3.82Å; F122-Y131 HydrophobicContact CE1-CG 3.82Å; F122-Y131 AromaticContact CZ-CD1 3.77Å; F122-Y131 HydrophobicContact CZ-CD1 3.77Å; F122-Y131 HydrophobicContact CZ-CD2 4.18Å; F122-Y131 HydrophobicContact CZ-CE1 4.32Å; F122-Y131 AromaticContact CZ-CG 3.7Å; F122-Y131 HydrophobicContact CZ-CG 3.7Å
123L92.7Very high94.3Very high85 Ų8560.2 Ų60.245%0.44529%0.293SS..  trans-91.3-28.5177.3-61.4179.5000111.7R87 F88 R121 D127R87-L123 WeakPolarHBondContact CA-O 3.35Å; F88-L123 VanDerWaalsContact CD2-O 3.32Å; F88-L123 WeakPolarHBondContact CD2-O 3.17Å; F88-L123 PolarHBondContact N-O 3Å; R121-L123 PolarHBondContact O-N 3.23Å; L123-D127 PolarHBondContact N-OD2 3.13Å
124S93.9Very high94.3Very high13 Ų1356 Ų569%0.09128%0.275CS..SBendtrans-134158.1-176.767.80000112.3S86 Q126 D127S86-S124 WeakPolarHBondContact O-CA 3.4Å; S86-S124 WeakPolarHBondContact O-CB 3.39Å; S124-Q126 PolarHBondContact O-N 3.19Å; S124-D127 PolarHBondContact N-OD2 3.44Å; S124-D127 PolarHBondContact O-N 2.96Å; S124-D127 VanDerWaalsContact O-N 3.13Å; S124-D127 PolarHBondContact OG-N 3.49Å; S124-D127 PolarHBondContact OG-OD2 2.91Å
125P94.8Very high94.1Very high1 Ų161.6 Ų61.61%0.00630%0.296CS..Hα-helixtrans-55-33.1171.5-26.834.8000113.4L71 L84 S86 F88 D127 I128 I129L71-P125 HydrophobicContact CD1-CB 3.72Å; L71-P125 HydrophobicContact CD1-CG 3.6Å; L84-P125 WeakPolarHBondContact O-CD 3.39Å; S86-P125 WeakPolarHBondContact O-CD 3.47Å; F88-P125 HydrophobicContact CE1-CG 4.06Å; F88-P125 HydrophobicContact CZ-CB 4.49Å; F88-P125 HydrophobicContact CZ-CG 3.76Å; P125-D127 VanDerWaalsContact C-N 3.34Å; P125-D127 PolarHBondContact O-N 3.23Å; P125-I128 WeakPolarHBondContact O-CB 3.41Å; P125-I128 PolarHBondContact O-N 3.43Å; P125-I129 WeakPolarHBondContact O-CD1 3.26Å; P125-I129 WeakPolarHBondContact O-CG1 3.4Å; P125-I129 PolarHBondContact O-N 3.3Å; P125-I129 VanDerWaalsContact O-N 3.08Å
126Q95.2Very high93.9Very high105 Ų10561.6 Ų61.649%0.49129%0.29SS..Hα-helixtrans-61.5-40.2177.4-175.2176.89.300112.5L84 N85 S124 I128 I129 Q130L84-Q126 WeakPolarHBondContact O-CB 3.47Å; L84-Q126 PolarHBondContact O-N 2.88Å; N85-Q126 PolarHBondContact OD1-OE1 3Å; S124-Q126 PolarHBondContact O-N 3.19Å; Q126-I128 VanDerWaalsContact C-N 3.28Å; Q126-I128 PolarHBondContact O-N 3.27Å; Q126-I129 PolarHBondContact O-N 2.96Å; Q126-Q130 PolarHBondContact O-N 3.04Å
127D95Very high93.8Very high62 Ų6261.6 Ų61.633%0.33229%0.29SS..Hα-helixtrans-63-38.5179.2-57.3-45000111.2F122 L123 S124 P125 Y131F122-D127 HydrophobicContact CD1-CB 4.16Å; L123-D127 PolarHBondContact N-OD2 3.13Å; S124-D127 PolarHBondContact N-OD2 3.44Å; S124-D127 PolarHBondContact O-N 2.96Å; S124-D127 VanDerWaalsContact O-N 3.13Å; S124-D127 PolarHBondContact OG-N 3.49Å; S124-D127 PolarHBondContact OG-OD2 2.91Å; P125-D127 VanDerWaalsContact C-N 3.34Å; P125-D127 PolarHBondContact O-N 3.23Å; D127-Y131 WeakPolarHBondContact O-CB 3.45Å; D127-Y131 PolarHBondContact O-N 3.33Å
128I95.2Very high93.6Very high1 Ų156.9 Ų56.91%0.00527%0.269CS..Hα-helixtrans-65.9-47.9177.4-60.9168.8000110.2V67 F88 I106 F122 P125 Q126 Q130 Y131 L132V67-I128 HydrophobicContact CG1-CG2 4.17Å; V67-I128 HydrophobicContact CG2-CG2 4.26Å; F88-I128 HydrophobicContact CE2-CD1 3.8Å; F88-I128 HydrophobicContact CZ-CD1 3.86Å; I106-I128 HydrophobicContact CD1-CD1 3.8Å; I106-I128 HydrophobicContact CD1-CG2 4.01Å; I106-I128 HydrophobicContact CG2-CG2 4.13Å; F122-I128 HydrophobicContact CB-CD1 4.33Å; F122-I128 HydrophobicContact CB-CG1 3.81Å; F122-I128 HydrophobicContact CD1-CG1 4.03Å; F122-I128 HydrophobicContact CD2-CG1 3.93Å; F122-I128 HydrophobicContact CG-CG1 3.67Å; P125-I128 WeakPolarHBondContact O-CB 3.41Å; P125-I128 PolarHBondContact O-N 3.43Å; Q126-I128 VanDerWaalsContact C-N 3.28Å; Q126-I128 PolarHBondContact O-N 3.27Å; I128-Q130 VanDerWaalsContact C-N 3.32Å; I128-Q130 PolarHBondContact O-N 3.05Å; I128-Y131 PolarHBondContact O-N 3.18Å; I128-L132 HydrophobicContact CG2-CD1 3.98Å; I128-L132 HydrophobicContact CG2-CG 4.49Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.21Å; I128-L132 PolarHBondContact O-N 3.02Å
129I95.2Very high93Very high10 Ų1062 Ų625%0.05129%0.286CS..Hα-helixtrans-59.7-45.2178.8-67.6155.9000110.3E64 V67 L84 P125 Q126 Y131 L132 C133E64-I129 HydrophobicContact CB-CD1 4.45Å; E64-I129 HydrophobicContact CG-CD1 3.94Å; E64-I129 HydrophobicContact CG-CG1 4.27Å; E64-I129 HydrophobicContact CG-CG2 3.78Å; V67-I129 HydrophobicContact CB-CG1 4.3Å; V67-I129 HydrophobicContact CG1-CG1 4.33Å; V67-I129 HydrophobicContact CG2-CG1 4.26Å; L84-I129 HydrophobicContact CD2-CD1 3.76Å; P125-I129 WeakPolarHBondContact O-CD1 3.26Å; P125-I129 WeakPolarHBondContact O-CG1 3.4Å; P125-I129 PolarHBondContact O-N 3.3Å; P125-I129 VanDerWaalsContact O-N 3.08Å; Q126-I129 PolarHBondContact O-N 2.96Å; I129-Y131 PolarHBondContact O-N 2.96Å; I129-L132 PolarHBondContact O-N 3.49Å; I129-C133 PolarHBondContact O-N 3.11Å; I129-C133 PolarHBondContact O-SG 3.44Å
130Q94.5Very high92Very high96 Ų9670.1 Ų70.145%0.44933%0.328SS..Hα-helixtrans-61.2-46.5178.5-175.360.954.100111.5Q126 I128 L132 C133 D134Q126-Q130 PolarHBondContact O-N 3.04Å; I128-Q130 VanDerWaalsContact C-N 3.32Å; I128-Q130 PolarHBondContact O-N 3.05Å; Q130-L132 VanDerWaalsContact C-N 3.3Å; Q130-L132 PolarHBondContact O-N 2.94Å; Q130-C133 WeakPolarHBondContact O-CB 3.16Å; Q130-C133 PolarHBondContact O-N 2.88Å; Q130-D134 PolarHBondContact NE2-OD1 2.95Å; Q130-D134 VanDerWaalsContact O-CG 3.29Å; Q130-D134 PolarHBondContact O-N 3.22Å
131Y95.4Very high92Very high41 Ų4167.1 Ų67.116%0.16131%0.314CS..Hα-helixtrans-60.2-40.1177.7-179.3-90.7000112.2I114 D118 F122 D127 I128 I129 D134 R135I114-Y131 HydrophobicContact CD1-CD1 4.45Å; I114-Y131 HydrophobicContact CD1-CE1 4.1Å; I114-Y131 HydrophobicContact CG1-CE1 3.87Å; I114-Y131 HydrophobicContact CG2-CE1 4.04Å; D118-Y131 HydrophobicContact CB-CE2 4.03Å; F122-Y131 HydrophobicContact CE1-CD1 4.35Å; F122-Y131 HydrophobicContact CE1-CD2 4.19Å; F122-Y131 AromaticContact CE1-CG 3.82Å; F122-Y131 HydrophobicContact CE1-CG 3.82Å; F122-Y131 AromaticContact CZ-CD1 3.77Å; F122-Y131 HydrophobicContact CZ-CD1 3.77Å; F122-Y131 HydrophobicContact CZ-CD2 4.18Å; F122-Y131 HydrophobicContact CZ-CE1 4.32Å; F122-Y131 AromaticContact CZ-CG 3.7Å; F122-Y131 HydrophobicContact CZ-CG 3.7Å; D127-Y131 WeakPolarHBondContact O-CB 3.45Å; D127-Y131 PolarHBondContact O-N 3.33Å; I128-Y131 PolarHBondContact O-N 3.18Å; I129-Y131 PolarHBondContact O-N 2.96Å; Y131-D134 PolarHBondContact O-N 3.22Å; Y131-R135 WeakPolarHBondContact O-CB 3.45Å; Y131-R135 PolarHBondContact O-N 2.97Å
132L94.8Very high92Very high0 Ų061.8 Ų61.80%030%0.297CS..Hα-helixtrans-68.6-39.2176.6-69.6172.2000112.6I63 V67 I106 F110 I112 I128 I129 Q130 R135 H136I63-L132 HydrophobicContact CG2-CB 3.79Å; I63-L132 HydrophobicContact CG2-CD1 3.84Å; I63-L132 HydrophobicContact CG2-CG 4.49Å; V67-L132 HydrophobicContact CG2-CD1 3.53Å; I106-L132 HydrophobicContact CG2-CD1 4.3Å; F110-L132 HydrophobicContact CB-CD2 4.29Å; F110-L132 HydrophobicContact CD1-CD2 4.44Å; F110-L132 HydrophobicContact CD2-CD1 3.81Å; F110-L132 HydrophobicContact CD2-CD2 4.06Å; F110-L132 HydrophobicContact CE1-CD1 4.35Å; F110-L132 HydrophobicContact CE2-CD1 3.5Å; F110-L132 VanDerWaalsContact CE2-CD1 3.5Å; F110-L132 HydrophobicContact CG-CD1 4.36Å; F110-L132 HydrophobicContact CG-CD2 4Å; F110-L132 HydrophobicContact CZ-CD1 3.79Å; I112-L132 HydrophobicContact CD1-CD2 3.37Å; I128-L132 HydrophobicContact CG2-CD1 3.98Å; I128-L132 HydrophobicContact CG2-CG 4.49Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.21Å; I128-L132 PolarHBondContact O-N 3.02Å; I129-L132 PolarHBondContact O-N 3.49Å; Q130-L132 VanDerWaalsContact C-N 3.3Å; Q130-L132 PolarHBondContact O-N 2.94Å; L132-R135 PolarHBondContact O-N 2.81Å; L132-H136 WeakPolarHBondContact O-CB 3.43Å; L132-H136 PolarHBondContact O-CD2 3.22Å; L132-H136 PolarHBondContact O-N 3Å
133C94.1Very high91.9Very high6 Ų664.6 Ų64.64%0.04131%0.311CS..Hα-helixtrans-59.5-46.7173.6-79.50000111.5I129 Q130 R135 H136 D137 V138I129-C133 PolarHBondContact O-N 3.11Å; I129-C133 PolarHBondContact O-SG 3.44Å; Q130-C133 WeakPolarHBondContact O-CB 3.16Å; Q130-C133 PolarHBondContact O-N 2.88Å; C133-R135 VanDerWaalsContact C-N 3.34Å; C133-R135 PolarHBondContact O-N 3.05Å; C133-H136 PolarHBondContact O-N 3.21Å; C133-D137 PolarHBondContact O-N 2.68Å; C133-V138 WeakPolarHBondContact CB-O 3.41Å; C133-V138 PolarHBondContact O-N 2.87Å
134D94Very high91.8Very high76 Ų7663.4 Ų63.441%0.40630%0.303SS..Hα-helixtrans-64.8-38.2178.4-63.8-16.5000111.4Q130 Y131Q130-D134 PolarHBondContact NE2-OD1 2.95Å; Q130-D134 VanDerWaalsContact O-CG 3.29Å; Q130-D134 PolarHBondContact O-N 3.22Å; Y131-D134 PolarHBondContact O-N 3.22Å
135R92.3Very high91.7Very high128 Ų12866.6 Ų66.648%0.48332%0.316SS..Hα-helixtrans-66.6-34.6177.4-168.385174.5178.7-3.8112.9I112 E113 Y131 L132 C133I112-R135 HydrophobicContact CD1-CG 4.49Å; E113-R135 PolarHBondContact O-NH2 2.66Å; Y131-R135 WeakPolarHBondContact O-CB 3.45Å; Y131-R135 PolarHBondContact O-N 2.97Å; L132-R135 PolarHBondContact O-N 2.81Å; C133-R135 VanDerWaalsContact C-N 3.34Å; C133-R135 PolarHBondContact O-N 3.05Å
136H90.5Very high91.5Very high63 Ų6370.9 Ų70.929%0.29234%0.337SS..THydrogen-bonded Turntrans-98.75.1-177.2-71.5-65.1000113.9F110 L132 C133 V138F110-H136 AromaticContact CD1-NE2 3.87Å; L132-H136 WeakPolarHBondContact O-CB 3.43Å; L132-H136 PolarHBondContact O-CD2 3.22Å; L132-H136 PolarHBondContact O-N 3Å; C133-H136 PolarHBondContact O-N 3.21Å; H136-V138 HydrophobicContact CB-CG2 3.82Å; H136-V138 PolarHBondContact O-N 2.98Å
137D91.6Very high91.2Very high122 Ų12268.5 Ų68.565%0.65233%0.326SS*.THydrogen-bonded Turntrans5335.7-174.6-64.4-51.9000113.2C133 Y139C133-D137 PolarHBondContact O-N 2.68Å; D137-Y139 HydrophobicContact CB-CE2 4.18Å
138V89.7Confident90.9Very high24 Ų2469 Ų6915%0.14533%0.326CS..  trans-98.399.7179.5-177.20000108.9L58 K60 I63 C133 H136L58-V138 HydrophobicContact CB-CG2 4.45Å; L58-V138 WeakPolarHBondContact O-CG2 2.95Å; K60-V138 HydrophobicContact CB-CG1 4.31Å; I63-V138 HydrophobicContact CD1-CB 4.41Å; I63-V138 HydrophobicContact CD1-CG2 4.36Å; C133-V138 WeakPolarHBondContact CB-O 3.41Å; C133-V138 PolarHBondContact O-N 2.87Å; H136-V138 HydrophobicContact CB-CG2 3.82Å; H136-V138 PolarHBondContact O-N 2.98Å
139Y81.6Confident90.6Very high152 Ų15274.7 Ų74.760%0.59635%0.352SS*.  trans-109.2138.6172.5-49.5-79.5000108.6D137D137-Y139 HydrophobicContact CB-CE2 4.18Å
140D73.4Confident90.2Very high178 Ų17880.5 Ų80.595%0.95238%0.38SS*.  trans-66.20173.3-66.6-41.1000112.3K60K60-D140 WeakPolarHBondContact CB-OD1 3.4Å; K60-D140 WeakPolarHBondContact CD-OD1 3.16Å; K60-D140 WeakPolarHBondContact CD-OD2 3.42Å; K60-D140 WeakPolarHBondContact CE-OD2 3.2Å; K60-D140 IonicContact NZ-OD2 2.68Å; K60-D140 PolarHBondContact NZ-OD2 2.89Å

Retrieved 140 of 140 residues in 74.7 ms (Link to these results)