A0A096MJQ3_RAT Loading...

Ankyrin repeat and SOCS box protein 10

May be a substrate-recognition component of a SCF-like ECS (Elongin-Cullin-SOCS-box protein) E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins.

AlphaFold DB , UniProt , Accession A0A096MJQ3, Species RAT (Rattus norvegicus, Rat), Gene Asb10, Length 452 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
1M26.3Very low29.9Very low237 Ų237152 Ų152100%1.16783%0.828SS**  0138.50-79.8-75.8-178.300107.8
2P52.8Low29.4Very low105 Ų105157.5 Ų157.568%0.68283%0.828SS**  -129.5179.8-94.838.7-25.8000114.2
3R28.8Very low29.2Very low240 Ų240159.7 Ų159.791%0.90683%0.83SS**  trans162.7113.2136.3-86.4161.4-169.6-133.73.4107.8
4G27Very low28.9Very low85 Ų85156.8 Ų156.888%0.87682%0.817SS**  73.1113.977.100000108.3
5G25.4Very low28.7Very low66 Ų66155.7 Ų155.768%0.6881%0.811SS**  cis134.6156.639.700000106.9
6H25.9Very low28.4Very low198 Ų198157.9 Ų157.992%0.91781%0.812SS**  trans99.4106.4169.3-58.2-68.6000119.8
7S29.9Very low28.2Very low109 Ų109155.6 Ų155.676%0.76281%0.812SS**  trans-78.4165.8138.7-45.20000109.3
8P37.6Very low28.1Very low103 Ų103158.2 Ų158.267%0.66982%0.816SS**  -160.4-176.681.534.9-10.1000118.1
9H26.3Very low28.3Very low174 Ų174156.2 Ų156.281%0.80681%0.814SS**  trans82.4143.2153.2-72-47.5000119.4
10C23.6Very low28Very low103 Ų103153.8 Ų153.870%0.69681%0.811SS**  cis-177.6147.2-10.4-130.20000105.9
11R25.3Very low27.9Very low252 Ų252151 Ų15195%0.95181%0.81SS**  174.3135.4124.4-95.6176.7-168.7-162.23.6112.6
12R24.2Very low27.9Very low218 Ų218145 Ų14582%0.82379%0.789SS**  trans-94.2159.3178.3-76.4176.1167.6176.9-3.8110.8
13H27.2Very low26.5Very low186 Ų186146 Ų14686%0.86179%0.793SS**  trans-148.8101143.7-95.2-66.9000110
14D24.6Very low26.3Very low119 Ų119141.2 Ų141.264%0.63680%0.795SS**  22.7143.8115.1-69.4-10.6000119.2
15L25.2Very low26.2Very low140 Ų140144.3 Ų144.373%0.73379%0.786SS**  cis-179163.819.9-114.7165000111.5
16K24.5Very low26.3Very low192 Ų192149 Ų14984%0.83579%0.794SS**  trans98.9136.9157.8-60.8178.3-178.3176.40118.6
17C25.3Very low26.2Very low118 Ų118147.1 Ų147.180%0.79778%0.779SS**  cis-172.7148.9-18.7-103.70000108.3
18F25.8Very low25.8Very low203 Ų203150.5 Ų150.589%0.8978%0.78SS**  trans-76.7172.2-170.1-77.9-81.7000116.3
19P31.7Very low25.3Very low120 Ų120150.6 Ų150.678%0.77979%0.79SS**  -145.8175.254.937-13.6000115.7
20S23.8Very low25.1Very low108 Ų108147 Ų14776%0.75577%0.773SS**  cis-169.7154.3-7.842.70000109.2
21A24.5Very low25.5Very low96 Ų96148.7 Ų148.779%0.79378%0.78SS**  trans89.8146.2163.200000119.7
22P25.8Very low25.3Very low110 Ų110143.7 Ų143.771%0.71477%0.766SS**  -122.4142.2-60.233-18.7000112.7
23T24.3Very low25.2Very low127 Ų127138.7 Ų138.778%0.77976%0.762SS**  trans34.789.5151.852.30000119.4Q25T23-Q25 PolarHBondContact O-N 3.19Å
24C24.2Very low25.1Very low138 Ų138133.5 Ų133.593%0.93275%0.751SS**  trans-73.496.1149.1-81.50000108.9I26C24-I26 PolarHBondContact O-N 3.4Å
25Q25.2Very low25.1Very low151 Ų151139.5 Ų139.571%0.70677%0.765SS**  trans-69121.5163.9-83-179.2-13.900109.2T23 W27T23-Q25 PolarHBondContact O-N 3.19Å; Q25-W27 PolarHBondContact O-N 3.16Å
26I27.7Very low25.2Very low163 Ų163143.3 Ų143.384%0.83677%0.769SS**  trans-53.6104.8158-64.1162.3000107.1C24 K28C24-I26 PolarHBondContact O-N 3.4Å; I26-K28 PolarHBondContact O-N 3.02Å; I26-K28 VanDerWaalsContact O-N 3.16Å
27W23.6Very low25.3Very low159 Ų159140 Ų14060%0.60277%0.766SS**  trans-79.899.3169.3-84.525.8000108.4Q25 Q30 F32Q25-W27 PolarHBondContact O-N 3.16Å; W27-Q30 HydrophobicContact CE3-CG 4.33Å; W27-F32 AromaticContact CZ3-CE2 3.84Å; W27-F32 HydrophobicContact CZ3-CE2 3.84Å; W27-F32 HydrophobicContact CZ3-CZ 4.16Å
28K22.6Very low25.3Very low181 Ų181140.2 Ų140.279%0.78777%0.765SS**  trans-34.8142.2144.4-75.1177.3173177.70109.3I26 Q30I26-K28 PolarHBondContact O-N 3.02Å; I26-K28 VanDerWaalsContact O-N 3.16Å; K28-Q30 VanDerWaalsContact C-N 3.33Å; K28-Q30 PolarHBondContact O-N 2.74Å
29A26.8Very low25.7Very low105 Ų105134.1 Ų134.187%0.86876%0.76SS**  trans-37.594.4168.700000111.4T31A29-T31 PolarHBondContact O-N 3.48Å
30Q22.4Very low25.7Very low98 Ų98133.6 Ų133.646%0.45876%0.759SS.*  trans-86.4106.7164.1-78.8-173.79.400105.1W27 K28 F32W27-Q30 HydrophobicContact CE3-CG 4.33Å; K28-Q30 VanDerWaalsContact C-N 3.33Å; K28-Q30 PolarHBondContact O-N 2.74Å; Q30-F32 HydrophobicContact CB-CD2 4.12Å; Q30-F32 HydrophobicContact CB-CE2 3.99Å; Q30-F32 PolarHBondContact O-N 2.83Å
31T30.7Very low26.2Very low139 Ų139132.8 Ų132.885%0.85375%0.753SS**  trans-50.291.4154.843.90000108.3A29A29-T31 PolarHBondContact O-N 3.48Å
32F21.5Very low27.3Very low147 Ų147131.8 Ų131.865%0.64574%0.739SS**  trans-77.9127.5156.5-86.3-85.7000106.9W27 Q30 A34W27-F32 AromaticContact CZ3-CE2 3.84Å; W27-F32 HydrophobicContact CZ3-CE2 3.84Å; W27-F32 HydrophobicContact CZ3-CZ 4.16Å; Q30-F32 HydrophobicContact CB-CD2 4.12Å; Q30-F32 HydrophobicContact CB-CE2 3.99Å; Q30-F32 PolarHBondContact O-N 2.83Å; F32-A34 PolarHBondContact O-N 2.93Å
33P22.4Very low28.7Very low113 Ų113131.2 Ų131.273%0.73473%0.729SS**  trans-62.9111.1170.127.4-28.7000105.4R35P33-R35 PolarHBondContact O-N 2.93Å
34A24.7Very low30.2Very low77 Ų77128.5 Ų128.564%0.63671%0.71SS**  trans-45.8116.3151.700000104.5F32 R36F32-A34 PolarHBondContact O-N 2.93Å; A34-R36 HydrophobicContact CB-CG 4.27Å; A34-R36 PolarHBondContact O-N 3.01Å
35R25.3Very low31.8Very low245 Ų245122.5 Ų122.593%0.92567%0.669SS**  trans-6277.6156.4-94-177174.3178.5-1.1105.1P33 T37P33-R35 PolarHBondContact O-N 2.93Å; R35-T37 PolarHBondContact O-N 2.65Å
36R27.6Very low33.5Very low219 Ų219122.9 Ų122.983%0.82666%0.664SS**  trans-5799.6151.6-75.6179.7170.6179.8-3.5102.9A34A34-R36 HydrophobicContact CB-CG 4.27Å; A34-R36 PolarHBondContact O-N 3.01Å
37T24.6Very low35.3Very low124 Ų124119 Ų11976%0.76165%0.645SS**PPolyproline II helixtrans-51.1121.5152.143.60000105.4R35 G39R35-T37 PolarHBondContact O-N 2.65Å; T37-G39 PolarHBondContact O-N 3.39Å
38P27Very low37.2Very low121 Ų121117.2 Ų117.279%0.78665%0.645SS**PPolyproline II helixtrans-59.2137.9-174.725.5-31.7000108.1S40P38-S40 PolarHBondContact O-N 3.01Å; P38-S40 VanDerWaalsContact O-N 3.16Å
39G32.8Very low39.2Very low76 Ų76111 Ų11178%0.78463%0.627SS**PPolyproline II helixtrans-46118.6-168.300000113.1T37 S41T37-G39 PolarHBondContact O-N 3.39Å; G39-S41 VanDerWaalsContact C-N 3.31Å; G39-S41 PolarHBondContact O-N 3.35Å
40S32.8Very low41.2Very low108 Ų108106.6 Ų106.676%0.75559%0.589SS**  trans-72.1100.3147.654.30000105.3P38P38-S40 PolarHBondContact O-N 3.01Å; P38-S40 VanDerWaalsContact O-N 3.16Å
41S33.2Very low43.4Very low91 Ų91103 Ų10364%0.63657%0.572SS**  trans-42137.1154.747.50000108G39 L43G39-S41 VanDerWaalsContact C-N 3.31Å; G39-S41 PolarHBondContact O-N 3.35Å; S41-L43 PolarHBondContact O-N 3.31Å; S41-L43 VanDerWaalsContact O-N 3.13Å
42P48.3Very low45.2Very low76 Ų7698.9 Ų98.949%0.49455%0.545SS..  trans-48.5128.8176.918.4-30000109.3L44 L75P42-L44 PolarHBondContact O-N 3.01Å; P42-L75 HydrophobicContact CB-CB 4.19Å; P42-L75 HydrophobicContact CB-CD1 3.16Å; P42-L75 HydrophobicContact CB-CG 3.46Å; P42-L75 VanDerWaalsContact CB-CG 3.46Å; P42-L75 HydrophobicContact CG-CD1 3.33Å; P42-L75 HydrophobicContact CG-CG 4.2Å
43L55.4Low47.6Very low97 Ų9792 Ų9251%0.50852%0.515SS..EExtended strand (participates in β ladder)trans-69103.2-178.7-77.4167.8000107.1S41 C45 L74 L75S41-L43 PolarHBondContact O-N 3.31Å; S41-L43 VanDerWaalsContact O-N 3.13Å; L43-C45 PolarHBondContact O-N 2.97Å; L43-L74 HydrophobicContact CB-CD2 3.56Å; L43-L74 VanDerWaalsContact O-CA 3.27Å; L43-L74 WeakPolarHBondContact O-CA 3.24Å; L43-L74 WeakPolarHBondContact O-CD2 3.39Å; L43-L75 PolarHBondContact O-N 3.49Å
44L55.7Low50Low71 Ų7186.7 Ų86.737%0.37248%0.481SS..EExtended strand (participates in β ladder)trans-73.3112.1-178-163.274.9000109.2P42 R46 L75 E77P42-L44 PolarHBondContact O-N 3.01Å; L44-R46 HydrophobicContact CD2-CG 4.38Å; L44-R46 PolarHBondContact O-N 3.37Å; L44-L75 CarbonylContact C-O 3.44Å; L44-L75 WeakPolarHBondContact CA-O 3.39Å; L44-L75 HydrophobicContact CD1-CB 4.32Å; L44-E77 HydrophobicContact CD1-CB 3.7Å; L44-E77 HydrophobicContact CD1-CG 4.38Å; L44-E77 HydrophobicContact CD2-CB 3.99Å; L44-E77 HydrophobicContact CD2-CG 4.3Å; L44-E77 WeakPolarHBondContact CD2-OE2 3.29Å; L44-E77 HydrophobicContact CG-CB 3.92Å
45C58Low52.1Low12 Ų1286.5 Ų86.58%0.08146%0.464CS..EExtended strand (participates in β ladder)trans-85.2107.4177.4-173.10000110.4L43 Q51 L74 L75 L76L43-C45 PolarHBondContact O-N 2.97Å; C45-Q51 PolarHBondContact O-NE2 3.25Å; C45-L74 HydrophobicContact CB-CB 4.08Å; C45-L74 HydrophobicContact CB-CD1 3.98Å; C45-L74 HydrophobicContact CB-CD2 4.33Å; C45-L74 HydrophobicContact CB-CG 4.36Å; C45-L75 PolarHBondContact N-O 2.86Å; C45-L76 HydrophobicContact CB-CD2 3.92Å
46R59.5Low54.4Low158 Ų15878.6 Ų78.660%0.59644%0.443SS*.  trans-93.4-0.9174-65.4-177.9175.6162.64.4113.6L44 M48 E77L44-R46 HydrophobicContact CD2-CG 4.38Å; L44-R46 PolarHBondContact O-N 3.37Å; R46-M48 PolarHBondContact O-N 3.43Å; R46-E77 IonicContact NE-OE2 3.33Å
47D65.6Low56.4Low82 Ų8269.1 Ų69.144%0.43941%0.414SS..  trans-75.7108.1-177.8-167.6-14.8000110.8A49 L50 Q51D47-A49 VanDerWaalsContact C-N 3.26Å; D47-A49 PolarHBondContact O-N 3.37Å; D47-A49 WeakPolarHBondContact OD1-CB 3.28Å; D47-A49 PolarHBondContact OD1-N 3.08Å; D47-L50 HydrophobicContact CB-CB 4.12Å; D47-L50 PolarHBondContact O-N 3.2Å; D47-Q51 WeakPolarHBondContact O-CG 3.49Å; D47-Q51 PolarHBondContact O-N 3.26Å; D47-Q51 VanDerWaalsContact O-N 3.07Å
48M63.7Low58.9Low121 Ų12165.8 Ų65.860%0.59639%0.391SS*.Hα-helixtrans-65-29.1179.8-64.3-68-89.800112R46 N52R46-M48 PolarHBondContact O-N 3.43Å; M48-N52 VanDerWaalsContact O-CB 3.27Å; M48-N52 WeakPolarHBondContact O-CB 3.2Å; M48-N52 PolarHBondContact O-N 2.95Å; M48-N52 PolarHBondContact O-ND2 2.92Å; M48-N52 VanDerWaalsContact O-ND2 3.09Å; M48-N52 PolarHBondContact O-OD1 3.16Å
49A66.2Low61.2Low50 Ų5062.2 Ų62.241%0.41337%0.365SS..Hα-helixtrans-68.1-39.7178.300000111.2D47 A53 L65D47-A49 VanDerWaalsContact C-N 3.26Å; D47-A49 PolarHBondContact O-N 3.37Å; D47-A49 WeakPolarHBondContact OD1-CB 3.28Å; D47-A49 PolarHBondContact OD1-N 3.08Å; A49-A53 WeakPolarHBondContact O-CB 3.41Å; A49-A53 PolarHBondContact O-N 3.19Å; A49-L65 HydrophobicContact CB-CD1 4.36Å
50L68.6Low63.3Low13 Ų1361.3 Ų61.37%0.06835%0.35CS..Hα-helixtrans-69.7-44.2176.6-171.4148.8000111.4D47 N52 A53 L54 F66D47-L50 HydrophobicContact CB-CB 4.12Å; D47-L50 PolarHBondContact O-N 3.2Å; L50-N52 VanDerWaalsContact C-N 3.33Å; L50-N52 PolarHBondContact O-N 3.11Å; L50-A53 PolarHBondContact O-N 3.32Å; L50-L54 HydrophobicContact CD2-CD1 3.57Å; L50-L54 HydrophobicContact CD2-CG 4.18Å; L50-L54 WeakPolarHBondContact O-CG 3.5Å; L50-L54 PolarHBondContact O-N 3.03Å; L50-F66 HydrophobicContact CD1-CD2 3.86Å; L50-F66 HydrophobicContact CD1-CE2 3.58Å; L50-F66 HydrophobicContact CD1-CZ 4.41Å; L50-F66 HydrophobicContact CD2-CE2 4.1Å; L50-F66 HydrophobicContact CG-CD2 4.49Å; L50-F66 HydrophobicContact CG-CE2 4.09Å
51Q68.4Low65.2Low23 Ų2361.2 Ų61.211%0.10733%0.334CS..Hα-helixtrans-57.1-48.7173.3-71-1807.700110.9C45 D47 A53 L54 Y55 L76C45-Q51 PolarHBondContact O-NE2 3.25Å; D47-Q51 WeakPolarHBondContact O-CG 3.49Å; D47-Q51 PolarHBondContact O-N 3.26Å; D47-Q51 VanDerWaalsContact O-N 3.07Å; Q51-A53 VanDerWaalsContact C-N 3.35Å; Q51-A53 PolarHBondContact O-N 2.88Å; Q51-L54 PolarHBondContact O-N 3.3Å; Q51-Y55 HydrophobicContact CB-CD2 4.34Å; Q51-Y55 HydrophobicContact CB-CE2 4.32Å; Q51-Y55 WeakPolarHBondContact O-CB 3.36Å; Q51-Y55 WeakPolarHBondContact O-CD2 3.48Å; Q51-Y55 PolarHBondContact O-N 3.35Å; Q51-L76 HydrophobicContact CG-CD2 3.88Å
52N68.7Low67.1Low53 Ų5357 Ų5728%0.28330%0.304SS..Hα-helixtrans-60-44178-68.9-18.6000112M48 L50 L54 Y55 T56 L92M48-N52 VanDerWaalsContact O-CB 3.27Å; M48-N52 WeakPolarHBondContact O-CB 3.2Å; M48-N52 PolarHBondContact O-N 2.95Å; M48-N52 PolarHBondContact O-ND2 2.92Å; M48-N52 VanDerWaalsContact O-ND2 3.09Å; M48-N52 PolarHBondContact O-OD1 3.16Å; L50-N52 VanDerWaalsContact C-N 3.33Å; L50-N52 PolarHBondContact O-N 3.11Å; N52-L54 PolarHBondContact O-N 2.99Å; N52-Y55 PolarHBondContact O-N 3.41Å; N52-T56 WeakPolarHBondContact O-CG2 3.38Å; N52-T56 PolarHBondContact O-N 3.05Å; N52-T56 PolarHBondContact O-OG1 3.19Å; N52-L92 HydrophobicContact CB-CD1 4.05Å; N52-L92 HydrophobicContact CB-CD2 4.02Å; N52-L92 VanDerWaalsContact ND2-CD1 3.29Å; N52-L92 WeakPolarHBondContact ND2-CD1 3.18Å; N52-L92 VanDerWaalsContact OD1-CD1 3.23Å; N52-L92 WeakPolarHBondContact OD1-CD1 3.33Å; N52-L92 WeakPolarHBondContact OD1-CD2 3.42Å
53A71.6Confident68.3Low2 Ų258.2 Ų58.22%0.01730%0.303CS..Hα-helixtrans-64.7-3817900000112.7A49 L50 Q51 T56 G57 D58 R61 L62 L65A49-A53 WeakPolarHBondContact O-CB 3.41Å; A49-A53 PolarHBondContact O-N 3.19Å; L50-A53 PolarHBondContact O-N 3.32Å; Q51-A53 VanDerWaalsContact C-N 3.35Å; Q51-A53 PolarHBondContact O-N 2.88Å; A53-T56 PolarHBondContact O-OG1 3.05Å; A53-G57 PolarHBondContact O-N 3Å; A53-D58 PolarHBondContact O-N 2.9Å; A53-R61 HydrophobicContact CB-CB 4.07Å; A53-L62 HydrophobicContact CB-CD2 3.86Å; A53-L62 HydrophobicContact CB-CG 3.9Å; A53-L65 HydrophobicContact CB-CD1 4.42Å
54L72.5Confident69.2Low2 Ų260.1 Ų60.11%0.0131%0.314CS..Hα-helixtrans-63.7-43.7172.1-72.3171.9000111.6L50 Q51 N52 G57 L62 L76 P104 V116 L120L50-L54 HydrophobicContact CD2-CD1 3.57Å; L50-L54 HydrophobicContact CD2-CG 4.18Å; L50-L54 WeakPolarHBondContact O-CG 3.5Å; L50-L54 PolarHBondContact O-N 3.03Å; Q51-L54 PolarHBondContact O-N 3.3Å; N52-L54 PolarHBondContact O-N 2.99Å; L54-G57 PolarHBondContact O-N 3.49Å; L54-L62 HydrophobicContact CD2-CD1 3.91Å; L54-L62 HydrophobicContact CD2-CD2 3.65Å; L54-L62 HydrophobicContact CD2-CG 4.46Å; L54-L62 HydrophobicContact CG-CD2 3.8Å; L54-L76 HydrophobicContact CD1-CD1 4.32Å; L54-P104 HydrophobicContact CD1-CB 3.58Å; L54-P104 HydrophobicContact CD1-CG 3.76Å; L54-P104 HydrophobicContact CD2-CB 3.88Å; L54-P104 HydrophobicContact CG-CB 4.4Å; L54-V116 HydrophobicContact CD2-CG1 4.09Å; L54-L120 HydrophobicContact CD2-CD1 4.47Å
55Y69.1Low69.8Low72 Ų7260 Ų6028%0.28231%0.313SS..Hα-helixtrans-71.1-32.5-178.6-79.9-55.7000113.3Q51 N52 V107 R111Q51-Y55 HydrophobicContact CB-CD2 4.34Å; Q51-Y55 HydrophobicContact CB-CE2 4.32Å; Q51-Y55 WeakPolarHBondContact O-CB 3.36Å; Q51-Y55 WeakPolarHBondContact O-CD2 3.48Å; Q51-Y55 PolarHBondContact O-N 3.35Å; N52-Y55 PolarHBondContact O-N 3.41Å; Y55-V107 HydrophobicContact CD1-CG1 3.42Å; Y55-V107 VanDerWaalsContact CD1-CG1 3.42Å; Y55-V107 HydrophobicContact CE1-CB 4.42Å; Y55-V107 HydrophobicContact CE1-CG1 3.48Å; Y55-V107 VanDerWaalsContact CE1-CG1 3.48Å; Y55-V107 HydrophobicContact CE1-CG2 4.02Å; Y55-V107 HydrophobicContact CG-CG1 4.3Å; Y55-R111 VanDerWaalsContact CD1-NH1 3.35Å; Y55-R111 VanDerWaalsContact CD1-NH2 3.29Å; Y55-R111 PolarHBondContact O-NH1 2.97Å
56T72.4Confident70.2Confident79 Ų7959.7 Ų59.749%0.48531%0.31SS..Hα-helixtrans-87-9.2175.759.90000113N52 A53 D58N52-T56 WeakPolarHBondContact O-CG2 3.38Å; N52-T56 PolarHBondContact O-N 3.05Å; N52-T56 PolarHBondContact O-OG1 3.19Å; A53-T56 PolarHBondContact O-OG1 3.05Å; T56-D58 VanDerWaalsContact C-N 3.28Å; T56-D58 PolarHBondContact O-N 3.17Å
57G70.1Confident70.2Confident21 Ų2155.9 Ų55.922%0.21631%0.306CS..THydrogen-bonded Turntrans67.425.2-174.400000113.7A53 L54 L59A53-G57 PolarHBondContact O-N 3Å; L54-G57 PolarHBondContact O-N 3.49Å; G57-L59 PolarHBondContact O-N 2.92Å
58D76.6Confident69.8Low54 Ų5455.5 Ų55.529%0.28931%0.308SS..  trans-78.191-176.3-171-10.8000110.3A53 T56 A60 R61 L62A53-D58 PolarHBondContact O-N 2.9Å; T56-D58 VanDerWaalsContact C-N 3.28Å; T56-D58 PolarHBondContact O-N 3.17Å; D58-A60 VanDerWaalsContact C-N 3.32Å; D58-A60 PolarHBondContact O-N 3.45Å; D58-A60 PolarHBondContact OD1-N 2.97Å; D58-R61 HydrophobicContact CB-CB 4.3Å; D58-R61 PolarHBondContact O-N 3.25Å; D58-R61 PolarHBondContact OD1-N 3.24Å; D58-R61 VanDerWaalsContact OD2-CD 3.3Å; D58-R61 WeakPolarHBondContact OD2-CD 3.49Å; D58-R61 WeakPolarHBondContact OD2-CG 3.3Å; D58-R61 IonicContact OD2-NE 3.75Å; D58-L62 WeakPolarHBondContact O-CG 3.34Å; D58-L62 PolarHBondContact O-N 3.44Å
59L75.6Confident69.3Low46 Ų4658.3 Ų58.324%0.24132%0.319CS..Hα-helixtrans-61.9-36.5-175-179.3131.9000112.9G57 L62 Q63 E115G57-L59 PolarHBondContact O-N 2.92Å; L59-L62 PolarHBondContact O-N 3.16Å; L59-Q63 VanDerWaalsContact CD2-NE2 3.31Å; L59-Q63 WeakPolarHBondContact O-CG 3.46Å; L59-Q63 PolarHBondContact O-N 3.35Å; L59-E115 HydrophobicContact CD1-CB 3.53Å
60A76.6Confident69Low57 Ų5758 Ų5847%0.47131%0.314SS..Hα-helixtrans-64.4-48.7179.900000110.5D58 L62 Q63 D64D58-A60 VanDerWaalsContact C-N 3.32Å; D58-A60 PolarHBondContact O-N 3.45Å; D58-A60 PolarHBondContact OD1-N 2.97Å; A60-L62 VanDerWaalsContact C-N 3.31Å; A60-L62 PolarHBondContact O-N 3.08Å; A60-Q63 PolarHBondContact O-N 3.2Å; A60-D64 PolarHBondContact O-N 3.49Å; A60-D64 VanDerWaalsContact O-N 3.1Å
61R73.7Confident68.4Low106 Ų10660.9 Ų60.940%0.433%0.332SS..Hα-helixtrans-64.1-35.7175.7-75.8-166.7172.2155.66.9113.1A53 D58 D64 L65A53-R61 HydrophobicContact CB-CB 4.07Å; D58-R61 HydrophobicContact CB-CB 4.3Å; D58-R61 PolarHBondContact O-N 3.25Å; D58-R61 PolarHBondContact OD1-N 3.24Å; D58-R61 VanDerWaalsContact OD2-CD 3.3Å; D58-R61 WeakPolarHBondContact OD2-CD 3.49Å; D58-R61 WeakPolarHBondContact OD2-CG 3.3Å; D58-R61 IonicContact OD2-NE 3.75Å; R61-D64 PolarHBondContact O-N 2.86Å; R61-L65 VanDerWaalsContact O-CB 3.32Å; R61-L65 WeakPolarHBondContact O-CB 3.31Å; R61-L65 WeakPolarHBondContact O-CD1 3.47Å; R61-L65 WeakPolarHBondContact O-CG 3.21Å; R61-L65 PolarHBondContact O-N 3.02Å
62L73.3Confident67.9Low2 Ų260 Ų601%0.0133%0.329CS..Hα-helixtrans-66.1-38.6175.6-75.4169.7000112A53 L54 D58 L59 A60 D64 L65 F66 V116 L119A53-L62 HydrophobicContact CB-CD2 3.86Å; A53-L62 HydrophobicContact CB-CG 3.9Å; L54-L62 HydrophobicContact CD2-CD1 3.91Å; L54-L62 HydrophobicContact CD2-CD2 3.65Å; L54-L62 HydrophobicContact CD2-CG 4.46Å; L54-L62 HydrophobicContact CG-CD2 3.8Å; D58-L62 WeakPolarHBondContact O-CG 3.34Å; D58-L62 PolarHBondContact O-N 3.44Å; L59-L62 PolarHBondContact O-N 3.16Å; A60-L62 VanDerWaalsContact C-N 3.31Å; A60-L62 PolarHBondContact O-N 3.08Å; L62-D64 VanDerWaalsContact C-N 3.32Å; L62-D64 PolarHBondContact O-N 3.08Å; L62-L65 PolarHBondContact O-N 3.22Å; L62-F66 VanDerWaalsContact O-CB 3.29Å; L62-F66 WeakPolarHBondContact O-CB 3.43Å; L62-F66 PolarHBondContact O-N 3.37Å; L62-V116 HydrophobicContact CD1-CB 4.28Å; L62-V116 HydrophobicContact CD1-CG1 3.58Å; L62-V116 HydrophobicContact CD1-CG2 3.71Å; L62-L119 HydrophobicContact CB-CD2 4.36Å
63Q73.8Confident67.3Low102 Ų10260.3 Ų60.348%0.47733%0.331SS..Hα-helixtrans-65.7-35.6175.4-72.6178.6-0.700112.6L59 A60 L119L59-Q63 VanDerWaalsContact CD2-NE2 3.31Å; L59-Q63 WeakPolarHBondContact O-CG 3.46Å; L59-Q63 PolarHBondContact O-N 3.35Å; A60-Q63 PolarHBondContact O-N 3.2Å; Q63-L119 HydrophobicContact CG-CD1 4.18Å; Q63-L119 HydrophobicContact CG-CD2 4.14Å
64D73.4Confident66.9Low137 Ų13761 Ų6173%0.73333%0.334SS*.Hα-helixtrans-70.7-39.5176.2-66.8-23.8000112.2A60 R61 L62A60-D64 PolarHBondContact O-N 3.49Å; A60-D64 VanDerWaalsContact O-N 3.1Å; R61-D64 PolarHBondContact O-N 2.86Å; L62-D64 VanDerWaalsContact C-N 3.32Å; L62-D64 PolarHBondContact O-N 3.08Å
65L68.8Low66.2Low68 Ų6861.6 Ų61.636%0.35634%0.337SS..Hα-helixtrans-83.7-24.8-176.9-65.1171.1000113.2A49 A53 R61 L62 P67A49-L65 HydrophobicContact CB-CD1 4.36Å; A53-L65 HydrophobicContact CB-CD1 4.42Å; R61-L65 VanDerWaalsContact O-CB 3.32Å; R61-L65 WeakPolarHBondContact O-CB 3.31Å; R61-L65 WeakPolarHBondContact O-CD1 3.47Å; R61-L65 WeakPolarHBondContact O-CG 3.21Å; R61-L65 PolarHBondContact O-N 3.02Å; L62-L65 PolarHBondContact O-N 3.22Å; L65-P67 VanDerWaalsContact O-CD 3.24Å; L65-P67 WeakPolarHBondContact O-CD 3.39Å
66F65.3Low65.7Low6 Ų658.4 Ų58.43%0.02633%0.325CS..SBendtrans-10199.1175.2-99.9-91.7000111.9L50 L62 A72 L74L50-F66 HydrophobicContact CD1-CD2 3.86Å; L50-F66 HydrophobicContact CD1-CE2 3.58Å; L50-F66 HydrophobicContact CD1-CZ 4.41Å; L50-F66 HydrophobicContact CD2-CE2 4.1Å; L50-F66 HydrophobicContact CG-CD2 4.49Å; L50-F66 HydrophobicContact CG-CE2 4.09Å; L62-F66 VanDerWaalsContact O-CB 3.29Å; L62-F66 WeakPolarHBondContact O-CB 3.43Å; L62-F66 PolarHBondContact O-N 3.37Å; F66-A72 HydrophobicContact CE1-CB 4.38Å; F66-L74 HydrophobicContact CE1-CD1 4.26Å; F66-L74 HydrophobicContact CE2-CD1 4.25Å; F66-L74 HydrophobicContact CZ-CD1 3.53Å
67P61.2Low64.6Low77 Ų7758.1 Ų58.150%0.532%0.318SS..  trans-64.6154.4173.325-31.9000111.5L65 H69 S70L65-P67 VanDerWaalsContact O-CD 3.24Å; L65-P67 WeakPolarHBondContact O-CD 3.39Å; P67-H69 PolarHBondContact O-N 3.49Å; P67-S70 PolarHBondContact O-N 3.18Å; P67-S70 VanDerWaalsContact O-N 3.08Å
68P56.9Low63.6Low75 Ų7561.1 Ų61.149%0.48734%0.336SS..THydrogen-bonded Turntrans-64.3-12.6-16622.1-33.4000116.3R123P68-R123 VanDerWaalsContact CA-CZ 3.47Å; P68-R123 PolarHBondContact O-NH1 2.96Å
69H51.9Low62.2Low179 Ų17966.7 Ų66.783%0.82935%0.353SS*.THydrogen-bonded Turntrans-108.63.9-177.9-55.5-57.2000114.1P67P67-H69 PolarHBondContact O-N 3.49Å
70S61.1Low60.7Low43 Ų4370 Ų7030%0.30138%0.38SS..  trans-79.2137.7178.8-175.50000111.9P67P67-S70 PolarHBondContact O-N 3.18Å; P67-S70 VanDerWaalsContact O-N 3.08Å
71T56.6Low58.8Low75 Ų7571.9 Ų71.946%0.4640%0.395SS..  trans-81.6126.1174.450.60000110.2D73T71-D73 PolarHBondContact O-N 3.13Å
72A57.3Low56.9Low5 Ų573 Ų734%0.04141%0.405CS..SBendtrans-74.74.3-179.700000114.9F66 L74 L120 R123 A125F66-A72 HydrophobicContact CE1-CB 4.38Å; A72-L74 PolarHBondContact O-N 2.94Å; A72-L120 HydrophobicContact CB-CD2 3.94Å; A72-R123 HydrophobicContact CB-CB 4.28Å; A72-A125 HydrophobicContact CB-CB 3.86Å
73D55.9Low55.2Low58 Ų5879.1 Ų79.131%0.3145%0.445SS..  trans-75.950.8176-67.4-9.3000111.4T71T71-D73 PolarHBondContact O-N 3.13Å
74L63.9Low53.2Low18 Ų1884.3 Ų84.39%0.09446%0.46CS..EExtended strand (participates in β ladder)trans-88.3140.6174.7-62.1172.7000109.8L43 C45 F66 A72 P104L43-L74 HydrophobicContact CB-CD2 3.56Å; L43-L74 VanDerWaalsContact O-CA 3.27Å; L43-L74 WeakPolarHBondContact O-CA 3.24Å; L43-L74 WeakPolarHBondContact O-CD2 3.39Å; C45-L74 HydrophobicContact CB-CB 4.08Å; C45-L74 HydrophobicContact CB-CD1 3.98Å; C45-L74 HydrophobicContact CB-CD2 4.33Å; C45-L74 HydrophobicContact CB-CG 4.36Å; F66-L74 HydrophobicContact CE1-CD1 4.26Å; F66-L74 HydrophobicContact CE2-CD1 4.25Å; F66-L74 HydrophobicContact CZ-CD1 3.53Å; A72-L74 PolarHBondContact O-N 2.94Å; L74-P104 HydrophobicContact CB-CG 4.21Å; L74-P104 WeakPolarHBondContact O-CD 3.42Å
75L56.8Low51.6Low14 Ų1487.9 Ų87.97%0.07346%0.464CS..EExtended strand (participates in β ladder)trans-100135.6164.5-67.7-175.6000109.5P42 L43 L44 C45 L101 T103 P131P42-L75 HydrophobicContact CB-CB 4.19Å; P42-L75 HydrophobicContact CB-CD1 3.16Å; P42-L75 HydrophobicContact CB-CG 3.46Å; P42-L75 VanDerWaalsContact CB-CG 3.46Å; P42-L75 HydrophobicContact CG-CD1 3.33Å; P42-L75 HydrophobicContact CG-CG 4.2Å; L43-L75 PolarHBondContact O-N 3.49Å; L44-L75 CarbonylContact C-O 3.44Å; L44-L75 WeakPolarHBondContact CA-O 3.39Å; L44-L75 HydrophobicContact CD1-CB 4.32Å; C45-L75 PolarHBondContact N-O 2.86Å; L75-L101 HydrophobicContact CD1-CD2 3.57Å; L75-T103 HydrophobicContact CD2-CG2 3.95Å; L75-P131 HydrophobicContact CD2-CB 3.76Å; L75-P131 HydrophobicContact CD2-CG 3.66Å
76L58.4Low49.7Very low4 Ų489.8 Ų89.82%0.02148%0.482CS..EExtended strand (participates in β ladder)trans-91.3120176-56.9-179.1000109C45 Q51 L54 T102 V107C45-L76 HydrophobicContact CB-CD2 3.92Å; Q51-L76 HydrophobicContact CG-CD2 3.88Å; L54-L76 HydrophobicContact CD1-CD1 4.32Å; L76-T102 PolarHBondContact N-O 2.98Å; L76-V107 HydrophobicContact CD1-CG2 4.06Å
77E50.3Low48.3Very low73 Ų7392.4 Ų92.434%0.34150%0.501SS..  trans-87.3112.1171.6-162.8178.7-144.300108.7L44 R46 R79L44-E77 HydrophobicContact CD1-CB 3.7Å; L44-E77 HydrophobicContact CD1-CG 4.38Å; L44-E77 HydrophobicContact CD2-CB 3.99Å; L44-E77 HydrophobicContact CD2-CG 4.3Å; L44-E77 WeakPolarHBondContact CD2-OE2 3.29Å; L44-E77 HydrophobicContact CG-CB 3.92Å; R46-E77 IonicContact NE-OE2 3.33Å; E77-R79 HydrophobicContact CG-CG 4.17Å; E77-R79 PolarHBondContact O-N 3.01Å; E77-R79 IonicContact OE2-CZ 2.66Å; E77-R79 IonicContact OE2-NE 3.81Å; E77-R79 PolarHBondContact OE2-NE 3.3Å; E77-R79 IonicContact OE2-NH2 3.43Å
78S48.1Very low46.9Very low85 Ų8596.9 Ų96.959%0.59452%0.515SS*.  trans-80.498.7161.961.70000108.1S80S78-S80 PolarHBondContact O-N 3.37Å
79R47.6Very low46Very low171 Ų171102.4 Ų102.465%0.64554%0.535SS*.  trans-67.9105.1172.8-76.2-171.5-176.9-162.4-2109.9E77 A81E77-R79 HydrophobicContact CG-CG 4.17Å; E77-R79 PolarHBondContact O-N 3.01Å; E77-R79 IonicContact OE2-CZ 2.66Å; E77-R79 IonicContact OE2-NE 3.81Å; E77-R79 PolarHBondContact OE2-NE 3.3Å; E77-R79 IonicContact OE2-NH2 3.43Å; R79-A81 PolarHBondContact O-N 3.02Å
80S44.5Very low45.4Very low115 Ų115102.7 Ų102.780%0.80453%0.528SS*.THydrogen-bonded Turntrans-59.8111.1164.254.40000110S78S78-S80 PolarHBondContact O-N 3.37Å
81A36.5Very low44.3Very low97 Ų97104 Ų10480%0.80255%0.549SS*.THydrogen-bonded Turntrans176.3-19.2142.500000115.8R79R79-A81 PolarHBondContact O-N 3.02Å
82E32.4Very low43.4Very low129 Ų129104.3 Ų104.360%0.60355%0.547SS*.  trans-139.5124.2-176.8-70-170.1174.600114.3R84E82-R84 HydrophobicContact CB-CG 4.29Å; E82-R84 PolarHBondContact O-N 3.23Å; E82-R84 VanDerWaalsContact O-N 3.15Å; E82-R84 IonicContact OE2-CZ 3.08Å; E82-R84 IonicContact OE2-NE 3.87Å; E82-R84 PolarHBondContact OE2-NE 3.1Å; E82-R84 IonicContact OE2-NH2 2.71Å; E82-R84 PolarHBondContact OE2-NH2 2.95Å
83P37.8Very low42.4Very low130 Ų130114.8 Ų114.884%0.84459%0.586SS**  trans-74.1102.1165.230.8-29.5000108.2
84R33Very low41.2Very low212 Ų212117.5 Ų117.580%0.861%0.609SS**  trans-95.9100.3171.9-67.5-165-173.3-161.64.2110.4E82E82-R84 HydrophobicContact CB-CG 4.29Å; E82-R84 PolarHBondContact O-N 3.23Å; E82-R84 VanDerWaalsContact O-N 3.15Å; E82-R84 IonicContact OE2-CZ 3.08Å; E82-R84 IonicContact OE2-NE 3.87Å; E82-R84 PolarHBondContact OE2-NE 3.1Å; E82-R84 IonicContact OE2-NH2 2.71Å; E82-R84 PolarHBondContact OE2-NH2 2.95Å
85W39.6Very low40Very low212 Ų212123.4 Ų123.480%0.80364%0.64SS**  trans-75.5135.3165177.493.5000109.7S87W85-S87 WeakPolarHBondContact CH2-OG 3.25Å; W85-S87 WeakPolarHBondContact CZ2-OG 3.38Å
86S29.2Very low38.9Very low107 Ų107128.7 Ų128.775%0.74867%0.673SS**  trans-144.8109.9149.768.40000108.3H88S86-H88 PolarHBondContact O-N 3.2Å
87S34.1Very low37.8Very low61 Ų61136.4 Ų136.443%0.42771%0.707SS.*  trans-61.7105.5171.155.20000109.3W85W85-S87 WeakPolarHBondContact CH2-OG 3.25Å; W85-S87 WeakPolarHBondContact CZ2-OG 3.38Å
88H32.3Very low37.4Very low172 Ų172140.6 Ų140.680%0.79673%0.726SS**SBendtrans-173110.6136.6-85.4-55.4000108.4S86 R90S86-H88 PolarHBondContact O-N 3.2Å; H88-R90 PolarHBondContact O-N 2.95Å
89E37.8Very low37.3Very low191 Ų191141.5 Ų141.589%0.89372%0.721SS**SBendtrans73.74.4152.7-60.9-171.3166.100122.9
90R39.7Very low37.4Very low184 Ų184141.5 Ų141.569%0.69473%0.729SS**  trans-138113.6168.7-67.1-173.6179.1170.32.7112.3H88 L92H88-R90 PolarHBondContact O-N 2.95Å; R90-L92 PolarHBondContact O-N 3.31Å
91G37.7Very low38Very low71 Ų71139.8 Ų139.873%0.73271%0.71SS**  trans-71.4112.8178.200000111.5
92L37.8Very low39.5Very low81 Ų81136 Ų13642%0.42468%0.677SS.*  trans-129.8122.9170.3-84.7151.2000108.9N52 R90N52-L92 HydrophobicContact CB-CD1 4.05Å; N52-L92 HydrophobicContact CB-CD2 4.02Å; N52-L92 VanDerWaalsContact ND2-CD1 3.29Å; N52-L92 WeakPolarHBondContact ND2-CD1 3.18Å; N52-L92 VanDerWaalsContact OD1-CD1 3.23Å; N52-L92 WeakPolarHBondContact OD1-CD1 3.33Å; N52-L92 WeakPolarHBondContact OD1-CD2 3.42Å; R90-L92 PolarHBondContact O-N 3.31Å
93W36.3Very low41.5Very low226 Ų226130.2 Ų130.286%0.85665%0.651SS**  trans-92.1119.9178.1-63.886.3000108.9
94S32.1Very low43.4Very low115 Ų115124 Ų12480%0.80461%0.611SS**  trans-80.6129.1162.6177.90000108
95L37.8Very low45.7Very low141 Ų141114.2 Ų114.274%0.73857%0.574SS**  trans-109.9129.7168.6-74.6172.1000109.5
96T33.1Very low47.7Very low125 Ų125104.8 Ų104.877%0.76754%0.539SS*.  trans-58.5147164.844.50000111.8
97F36.9Very low50.2Low167 Ų167100.3 Ų100.373%0.73251%0.507SS*.SBendtrans100.6106.8157.4-126.7-95000118.4E99F97-E99 PolarHBondContact O-N 3.37Å
98E40.2Very low52.6Low160 Ų16097.4 Ų97.475%0.74849%0.487SS*.  trans40.350.8145.2-55.7-170.617400121.6
99E47.4Very low55.2Low104 Ų10489.2 Ų89.249%0.48645%0.449SS..  trans-119.879.5161.3-63.3-176.6168.900110.5F97 L101 T102F97-E99 PolarHBondContact O-N 3.37Å; E99-L101 PolarHBondContact O-N 3.31Å; E99-T102 HydrophobicContact CB-CG2 3.47Å; E99-T102 VanDerWaalsContact CB-CG2 3.47Å; E99-T102 HydrophobicContact CG-CG2 4.31Å; E99-T102 WeakPolarHBondContact OE2-CG2 3.22Å
100E49.5Very low57.5Low171 Ų17182.6 Ų82.680%0.79942%0.423SS*.THydrogen-bonded Turntrans-64.2-2.5-178.4-65.9-170153.300113.9
101L57.6Low59.6Low79 Ų7978.3 Ų78.341%0.41441%0.407SS..THydrogen-bonded Turntrans-149.461-170.4-62.6172.4000113L75 E99 P131 G132L75-L101 HydrophobicContact CD1-CD2 3.57Å; E99-L101 PolarHBondContact O-N 3.31Å; L101-P131 HydrophobicContact CB-CB 4.07Å; L101-P131 WeakPolarHBondContact CD1-O 3.3Å; L101-P131 WeakPolarHBondContact O-CG 3.2Å; L101-G132 PolarHBondContact O-N 3.3Å
102T66.7Low61.9Low17 Ų1776 Ų7610%0.10438%0.383CS..BIsolated β-bridgetrans-96.2139.3174.958.30000112.7L76 E99L76-T102 PolarHBondContact N-O 2.98Å; E99-T102 HydrophobicContact CB-CG2 3.47Å; E99-T102 VanDerWaalsContact CB-CG2 3.47Å; E99-T102 HydrophobicContact CG-CG2 4.31Å; E99-T102 WeakPolarHBondContact OE2-CG2 3.22Å
103T75Confident64.3Low9 Ų974.5 Ų74.56%0.05537%0.374CS..  trans-98156.617179.60000111.1L75 L105 H106 V107 P131L75-T103 HydrophobicContact CD2-CG2 3.95Å; T103-L105 PolarHBondContact O-N 3.42Å; T103-L105 WeakPolarHBondContact OG1-CB 3.39Å; T103-L105 PolarHBondContact OG1-N 3.31Å; T103-H106 WeakPolarHBondContact O-CB 3.25Å; T103-H106 PolarHBondContact O-N 2.96Å; T103-H106 PolarHBondContact OG1-CE1 3Å; T103-H106 PolarHBondContact OG1-N 3.18Å; T103-H106 PolarHBondContact OG1-ND1 3.35Å; T103-V107 PolarHBondContact O-N 3.44Å; T103-P131 HydrophobicContact CG2-CG 3.56Å
104P76.7Confident66.8Low0 Ų065.8 Ų65.80%035%0.346CS..Hα-helixtrans-49.4-32.4170.5-30.836.5000114L54 L74 A108 L120L54-P104 HydrophobicContact CD1-CB 3.58Å; L54-P104 HydrophobicContact CD1-CG 3.76Å; L54-P104 HydrophobicContact CD2-CB 3.88Å; L54-P104 HydrophobicContact CG-CB 4.4Å; L74-P104 HydrophobicContact CB-CG 4.21Å; L74-P104 WeakPolarHBondContact O-CD 3.42Å; P104-A108 WeakPolarHBondContact O-CB 3.43Å; P104-A108 PolarHBondContact O-N 3.3Å; P104-A108 VanDerWaalsContact O-N 3.08Å; P104-L120 HydrophobicContact CB-CD1 3.87Å; P104-L120 HydrophobicContact CB-CD2 4.11Å
105L82.5Confident69.4Low5 Ų566.2 Ų66.23%0.02634%0.335CS..Hα-helixtrans-67.5-39.1178.8-163.573.3000111.8T103 A109 L117 L120 L121 A125 A136 L152T103-L105 PolarHBondContact O-N 3.42Å; T103-L105 WeakPolarHBondContact OG1-CB 3.39Å; T103-L105 PolarHBondContact OG1-N 3.31Å; L105-A109 VanDerWaalsContact O-CB 3.25Å; L105-A109 WeakPolarHBondContact O-CB 3.47Å; L105-A109 PolarHBondContact O-N 3.26Å; L105-L117 HydrophobicContact CD1-CD1 3.69Å; L105-L117 HydrophobicContact CD1-CG 3.96Å; L105-L117 HydrophobicContact CG-CD1 4.14Å; L105-L120 HydrophobicContact CD1-CB 4.07Å; L105-L120 HydrophobicContact CD1-CD1 4.39Å; L105-L121 HydrophobicContact CD1-CD2 4.1Å; L105-L121 HydrophobicContact CD1-CG 4.06Å; L105-L121 HydrophobicContact CD2-CD2 4.38Å; L105-A125 HydrophobicContact CD1-CB 4.42Å; L105-A136 HydrophobicContact CB-CB 4.3Å; L105-A136 HydrophobicContact CD2-CB 3.73Å; L105-A136 HydrophobicContact CG-CB 3.72Å; L105-L152 HydrophobicContact CD1-CD2 4.43Å; L105-L152 HydrophobicContact CD2-CD2 4.14Å; L105-L152 HydrophobicContact CG-CD2 4.36Å
106H82.4Confident71.6Confident15 Ų1559.6 Ų59.67%0.06930%0.301CS..Hα-helixtrans-65.8-44.5176.8-66.579.6000111.3T103 A108 A109 S110 S129 R134 T135 A136 E139T103-H106 WeakPolarHBondContact O-CB 3.25Å; T103-H106 PolarHBondContact O-N 2.96Å; T103-H106 PolarHBondContact OG1-CE1 3Å; T103-H106 PolarHBondContact OG1-N 3.18Å; T103-H106 PolarHBondContact OG1-ND1 3.35Å; H106-A108 PolarHBondContact O-N 3.47Å; H106-A109 PolarHBondContact O-N 3.2Å; H106-S110 VanDerWaalsContact O-CB 3.31Å; H106-S110 WeakPolarHBondContact O-CB 3.45Å; H106-S110 PolarHBondContact O-N 3.46Å; H106-S129 PolarHBondContact CE1-O 3.31Å; H106-S129 PolarHBondContact NE2-O 3.48Å; H106-R134 PolarHBondContact NE2-O 3.26Å; H106-T135 WeakPolarHBondContact NE2-CA 3.43Å; H106-A136 PolarHBondContact CD2-N 3Å; H106-A136 PolarHBondContact NE2-N 2.75Å; H106-A136 VanDerWaalsContact NE2-N 3.19Å; H106-E139 HydrophobicContact CB-CG 4.38Å
107V81Confident74.1Confident12 Ų1253.7 Ų53.77%0.07326%0.264CS..Hα-helixtrans-61.8-45.8178.4177.40000111.2Y55 L76 T103 A109 R111Y55-V107 HydrophobicContact CD1-CG1 3.42Å; Y55-V107 VanDerWaalsContact CD1-CG1 3.42Å; Y55-V107 HydrophobicContact CE1-CB 4.42Å; Y55-V107 HydrophobicContact CE1-CG1 3.48Å; Y55-V107 VanDerWaalsContact CE1-CG1 3.48Å; Y55-V107 HydrophobicContact CE1-CG2 4.02Å; Y55-V107 HydrophobicContact CG-CG1 4.3Å; L76-V107 HydrophobicContact CD1-CG2 4.06Å; T103-V107 PolarHBondContact O-N 3.44Å; V107-A109 VanDerWaalsContact C-N 3.33Å; V107-A109 PolarHBondContact O-N 2.95Å; V107-R111 PolarHBondContact O-N 3.2Å
108A84.8Confident76.5Confident1 Ų149.5 Ų49.51%0.00825%0.247CC..Hα-helixtrans-64.3-38.3177.600000112.1P104 H106 G112 H113 V116 L117 L120P104-A108 WeakPolarHBondContact O-CB 3.43Å; P104-A108 PolarHBondContact O-N 3.3Å; P104-A108 VanDerWaalsContact O-N 3.08Å; H106-A108 PolarHBondContact O-N 3.47Å; A108-G112 PolarHBondContact O-N 3.42Å; A108-G112 VanDerWaalsContact O-N 3.14Å; A108-H113 HydrophobicContact CB-CB 4.35Å; A108-H113 PolarHBondContact O-N 2.99Å; A108-V116 HydrophobicContact CB-CB 4.41Å; A108-V116 HydrophobicContact CB-CG1 4.06Å; A108-L117 HydrophobicContact CB-CB 4.31Å; A108-L117 HydrophobicContact CB-CD1 4.11Å; A108-L120 HydrophobicContact CB-CD1 4.31Å
109A86.8Confident78.6Confident0 Ų042.9 Ų42.90%022%0.217CC..Hα-helixtrans-67.4-4817700000112.5L105 H106 V107 R111 G112 L117 A136 E139 A140 H145 L152L105-A109 VanDerWaalsContact O-CB 3.25Å; L105-A109 WeakPolarHBondContact O-CB 3.47Å; L105-A109 PolarHBondContact O-N 3.26Å; H106-A109 PolarHBondContact O-N 3.2Å; V107-A109 VanDerWaalsContact C-N 3.33Å; V107-A109 PolarHBondContact O-N 2.95Å; A109-R111 VanDerWaalsContact C-N 3.28Å; A109-R111 PolarHBondContact O-N 3.46Å; A109-G112 PolarHBondContact O-N 3.36Å; A109-L117 HydrophobicContact CB-CD1 3.96Å; A109-A136 HydrophobicContact CB-CB 4.09Å; A109-A136 WeakPolarHBondContact CB-O 3.43Å; A109-E139 HydrophobicContact CB-CB 4.39Å; A109-A140 HydrophobicContact CB-CB 4.11Å; A109-H145 PolarHBondContact O-CD2 3Å; A109-L152 HydrophobicContact CB-CD1 4.37Å
110S85.6Confident80.3Confident51 Ų5138.2 Ų38.236%0.35720%0.195SC..Hα-helixtrans-61.5-32.7179.9-179.80000112.9H106 A143 H145H106-S110 VanDerWaalsContact O-CB 3.31Å; H106-S110 WeakPolarHBondContact O-CB 3.45Å; H106-S110 PolarHBondContact O-N 3.46Å; S110-A143 WeakPolarHBondContact O-CB 3.45Å; S110-H145 PolarHBondContact O-CD2 3.02Å; S110-H145 PolarHBondContact O-NE2 2.94Å
111R84.3Confident81.9Confident95 Ų9531.4 Ų31.436%0.35816%0.164SC..Hα-helixtrans-98.5-4-178.7-64.4-166.5176.1-175.91.6115.3Y55 V107 A109Y55-R111 VanDerWaalsContact CD1-NH1 3.35Å; Y55-R111 VanDerWaalsContact CD1-NH2 3.29Å; Y55-R111 PolarHBondContact O-NH1 2.97Å; V107-R111 PolarHBondContact O-N 3.2Å; A109-R111 VanDerWaalsContact C-N 3.28Å; A109-R111 PolarHBondContact O-N 3.46Å
112G85.1Confident83.2Confident22 Ų2236.9 Ų36.923%0.22718%0.179CC..THydrogen-bonded Turntrans78.521.4178.500000114.6A108 A109 T114 H145 C148A108-G112 PolarHBondContact O-N 3.42Å; A108-G112 VanDerWaalsContact O-N 3.14Å; A109-G112 PolarHBondContact O-N 3.36Å; G112-T114 VanDerWaalsContact C-N 3.31Å; G112-T114 PolarHBondContact O-N 3.03Å; G112-H145 WeakPolarHBondContact CA-CD2 3.25Å; G112-H145 PolarHBondContact N-CD2 3.33Å; G112-H145 PolarHBondContact N-NE2 3.2Å; G112-C148 VanDerWaalsContact CA-SG 3.58Å
113H87.9Confident83.8Confident50 Ų5039.8 Ų39.823%0.23119%0.188CC..  trans-80.475.7178.8-62.2-33.3000111.6A108 E115 V116 L117A108-H113 HydrophobicContact CB-CB 4.35Å; A108-H113 PolarHBondContact O-N 2.99Å; H113-E115 PolarHBondContact O-N 3.07Å; H113-V116 HydrophobicContact CB-CB 4.01Å; H113-V116 HydrophobicContact CB-CG2 4.13Å; H113-V116 PolarHBondContact O-N 3.18Å; H113-L117 WeakPolarHBondContact O-CB 3.42Å; H113-L117 PolarHBondContact O-N 3.09Å
114T89.5Confident83.9Confident43 Ų4349.9 Ų49.926%0.26423%0.225SC..Hα-helixtrans-57.8-42.3-174.654.30000113.9G112 L117 Q118 A147G112-T114 VanDerWaalsContact C-N 3.31Å; G112-T114 PolarHBondContact O-N 3.03Å; T114-L117 WeakPolarHBondContact O-CB 3.13Å; T114-L117 PolarHBondContact O-N 3.07Å; T114-Q118 WeakPolarHBondContact O-CG 3.26Å; T114-Q118 PolarHBondContact O-N 3.31Å; T114-A147 HydrophobicContact CG2-CB 3.49Å; T114-A147 VanDerWaalsContact CG2-CB 3.49Å
115E86.7Confident84Confident123 Ų12350.3 Ų50.358%0.57523%0.229SC*.Hα-helixtrans-69.1-40-178.7-56.7-173.9168.400112.1L59 H113 L117 Q118 L119L59-E115 HydrophobicContact CD1-CB 3.53Å; H113-E115 PolarHBondContact O-N 3.07Å; E115-L117 VanDerWaalsContact C-N 3.33Å; E115-Q118 PolarHBondContact O-N 2.94Å; E115-L119 PolarHBondContact O-N 3.43Å
116V84Confident83.9Confident3 Ų356.3 Ų56.32%0.01826%0.255CS..Hα-helixtrans-63.6-43.5174175.50000110L54 L62 A108 H113 Q118 L119 L120L54-V116 HydrophobicContact CD2-CG1 4.09Å; L62-V116 HydrophobicContact CD1-CB 4.28Å; L62-V116 HydrophobicContact CD1-CG1 3.58Å; L62-V116 HydrophobicContact CD1-CG2 3.71Å; A108-V116 HydrophobicContact CB-CB 4.41Å; A108-V116 HydrophobicContact CB-CG1 4.06Å; H113-V116 HydrophobicContact CB-CB 4.01Å; H113-V116 HydrophobicContact CB-CG2 4.13Å; H113-V116 PolarHBondContact O-N 3.18Å; V116-Q118 PolarHBondContact O-N 2.96Å; V116-L119 WeakPolarHBondContact O-CB 3.37Å; V116-L119 PolarHBondContact O-N 3.5Å; V116-L120 HydrophobicContact CG1-CD1 3.97Å; V116-L120 HydrophobicContact CG1-CG 4.35Å; V116-L120 VanDerWaalsContact O-CG 3.29Å; V116-L120 WeakPolarHBondContact O-CG 3.34Å; V116-L120 PolarHBondContact O-N 3.45Å
117L86.6Confident83.9Confident0 Ų056.7 Ų56.70%026%0.258CS..Hα-helixtrans-59.8-44.8176.6-166.8104.5000111.6L105 A108 A109 H113 T114 E115 L119 L120 L121 C148 V151 L152L105-L117 HydrophobicContact CD1-CD1 3.69Å; L105-L117 HydrophobicContact CD1-CG 3.96Å; L105-L117 HydrophobicContact CG-CD1 4.14Å; A108-L117 HydrophobicContact CB-CB 4.31Å; A108-L117 HydrophobicContact CB-CD1 4.11Å; A109-L117 HydrophobicContact CB-CD1 3.96Å; H113-L117 WeakPolarHBondContact O-CB 3.42Å; H113-L117 PolarHBondContact O-N 3.09Å; T114-L117 WeakPolarHBondContact O-CB 3.13Å; T114-L117 PolarHBondContact O-N 3.07Å; E115-L117 VanDerWaalsContact C-N 3.33Å; L117-L119 PolarHBondContact O-N 3.1Å; L117-L120 PolarHBondContact O-N 3.14Å; L117-L121 HydrophobicContact CD2-CD1 4.09Å; L117-L121 HydrophobicContact CG-CD1 4.24Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.49Å; L117-L121 PolarHBondContact O-N 2.92Å; L117-C148 HydrophobicContact CD2-CB 4.46Å; L117-V151 HydrophobicContact CD2-CB 3.72Å; L117-V151 HydrophobicContact CD2-CG1 3.53Å; L117-L152 HydrophobicContact CD1-CD2 4.16Å; L117-L152 HydrophobicContact CD1-CG 4.42Å; L117-L152 HydrophobicContact CD2-CD2 3.99Å; L117-L152 HydrophobicContact CD2-CG 3.79Å; L117-L152 HydrophobicContact CG-CD2 4.35Å
118Q87.2Confident84Confident79 Ų7959.6 Ų59.637%0.36927%0.274SS..Hα-helixtrans-61.4-41.3174.6-73.3-179.113.600112.6T114 E115 V116 L121 R122 V151T114-Q118 WeakPolarHBondContact O-CG 3.26Å; T114-Q118 PolarHBondContact O-N 3.31Å; E115-Q118 PolarHBondContact O-N 2.94Å; V116-Q118 PolarHBondContact O-N 2.96Å; Q118-L121 PolarHBondContact O-N 3.21Å; Q118-R122 WeakPolarHBondContact O-CG 3.34Å; Q118-R122 PolarHBondContact O-N 2.86Å; Q118-V151 HydrophobicContact CG-CG1 3.71Å; Q118-V151 HydrophobicContact CG-CG2 4.04Å
119L83.4Confident83.7Confident22 Ų2261.2 Ų61.212%0.11529%0.285CS..Hα-helixtrans-60.2-48.9176-174.179.3000110.5L62 Q63 E115 V116 L117 L121 R122 R123L62-L119 HydrophobicContact CB-CD2 4.36Å; Q63-L119 HydrophobicContact CG-CD1 4.18Å; Q63-L119 HydrophobicContact CG-CD2 4.14Å; E115-L119 PolarHBondContact O-N 3.43Å; V116-L119 WeakPolarHBondContact O-CB 3.37Å; V116-L119 PolarHBondContact O-N 3.5Å; L117-L119 PolarHBondContact O-N 3.1Å; L119-L121 PolarHBondContact O-N 3.37Å; L119-R122 PolarHBondContact O-N 2.85Å; L119-R123 WeakPolarHBondContact O-CG 3.29Å; L119-R123 PolarHBondContact O-N 3.29Å; L119-R123 VanDerWaalsContact O-N 3.08Å
120L82.8Confident83.3Confident6 Ų663.2 Ų63.23%0.03130%0.301CS..Hα-helixtrans-61.4-42-179.2-68.3170.7000111.9L54 A72 P104 L105 A108 V116 L117 R123 A125L54-L120 HydrophobicContact CD2-CD1 4.47Å; A72-L120 HydrophobicContact CB-CD2 3.94Å; P104-L120 HydrophobicContact CB-CD1 3.87Å; P104-L120 HydrophobicContact CB-CD2 4.11Å; L105-L120 HydrophobicContact CD1-CB 4.07Å; L105-L120 HydrophobicContact CD1-CD1 4.39Å; A108-L120 HydrophobicContact CB-CD1 4.31Å; V116-L120 HydrophobicContact CG1-CD1 3.97Å; V116-L120 HydrophobicContact CG1-CG 4.35Å; V116-L120 VanDerWaalsContact O-CG 3.29Å; V116-L120 WeakPolarHBondContact O-CG 3.34Å; V116-L120 PolarHBondContact O-N 3.45Å; L117-L120 PolarHBondContact O-N 3.14Å; L120-R123 CarbonylContact O-C 3.56Å; L120-R123 WeakPolarHBondContact O-CA 3.37Å; L120-R123 WeakPolarHBondContact O-CB 3.41Å; L120-R123 PolarHBondContact O-N 3.37Å; L120-R123 VanDerWaalsContact O-N 3.08Å; L120-A125 HydrophobicContact CB-CB 4.31Å; L120-A125 WeakPolarHBondContact O-CB 3.42Å; L120-A125 PolarHBondContact O-N 2.83Å; L120-A125 VanDerWaalsContact O-N 3.16Å
121L84.2Confident82.6Confident28 Ų2862.5 Ų62.515%0.14730%0.295CS..Hα-helixtrans-66.5-39.7176.8-68.4164.6000112.2L105 L117 Q118 L119 R123 R124 P127 V151 L152 A155L105-L121 HydrophobicContact CD1-CD2 4.1Å; L105-L121 HydrophobicContact CD1-CG 4.06Å; L105-L121 HydrophobicContact CD2-CD2 4.38Å; L117-L121 HydrophobicContact CD2-CD1 4.09Å; L117-L121 HydrophobicContact CG-CD1 4.24Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.49Å; L117-L121 PolarHBondContact O-N 2.92Å; Q118-L121 PolarHBondContact O-N 3.21Å; L119-L121 PolarHBondContact O-N 3.37Å; L121-R123 PolarHBondContact O-N 3.15Å; L121-R124 PolarHBondContact O-N 3.08Å; L121-P127 HydrophobicContact CD2-CB 4.31Å; L121-V151 HydrophobicContact CD1-CG1 3.55Å; L121-L152 HydrophobicContact CD1-CD2 4.36Å; L121-A155 HydrophobicContact CD1-CB 3.8Å; L121-A155 HydrophobicContact CD2-CB 3.89Å; L121-A155 HydrophobicContact CG-CB 4.31Å
122R83.7Confident81.9Confident193 Ų19359.6 Ų59.673%0.72830%0.295SS*.Hα-helixtrans-60.8-27.1171.3-73.6176.7-174.8173.25.6112.4Q118 L119 R124Q118-R122 WeakPolarHBondContact O-CG 3.34Å; Q118-R122 PolarHBondContact O-N 2.86Å; L119-R122 PolarHBondContact O-N 2.85Å; R122-R124 PolarHBondContact O-N 2.78Å
123R79.8Confident81.6Confident79 Ų7959.4 Ų59.430%0.29829%0.293SS..THydrogen-bonded Turntrans-86.522.3174.1-60.4-61.8-177-157.4-3.6113.5P68 A72 L119 L120 L121 A125P68-R123 VanDerWaalsContact CA-CZ 3.47Å; P68-R123 PolarHBondContact O-NH1 2.96Å; A72-R123 HydrophobicContact CB-CB 4.28Å; L119-R123 WeakPolarHBondContact O-CG 3.29Å; L119-R123 PolarHBondContact O-N 3.29Å; L119-R123 VanDerWaalsContact O-N 3.08Å; L120-R123 CarbonylContact O-C 3.56Å; L120-R123 WeakPolarHBondContact O-CA 3.37Å; L120-R123 WeakPolarHBondContact O-CB 3.41Å; L120-R123 PolarHBondContact O-N 3.37Å; L120-R123 VanDerWaalsContact O-N 3.08Å; L121-R123 PolarHBondContact O-N 3.15Å; R123-A125 VanDerWaalsContact C-N 3.28Å; R123-A125 PolarHBondContact O-N 3.07Å
124R77.9Confident81.5Confident220 Ų22061.3 Ų61.383%0.8330%0.298SS*.THydrogen-bonded Turntrans6228.5177.2-55.8-175.2176.2-131.70.5114.2L121 R122 K126L121-R124 PolarHBondContact O-N 3.08Å; R122-R124 PolarHBondContact O-N 2.78Å; R124-K126 PolarHBondContact O-N 3.24Å
125A77.1Confident81.5Confident9 Ų959.5 Ų59.57%0.07429%0.287CS..  trans-58.2133.7165.200000109.5A72 L105 L120 R123 P127A72-A125 HydrophobicContact CB-CB 3.86Å; L105-A125 HydrophobicContact CD1-CB 4.42Å; L120-A125 HydrophobicContact CB-CB 4.31Å; L120-A125 WeakPolarHBondContact O-CB 3.42Å; L120-A125 PolarHBondContact O-N 2.83Å; L120-A125 VanDerWaalsContact O-N 3.16Å; R123-A125 VanDerWaalsContact C-N 3.28Å; R123-A125 PolarHBondContact O-N 3.07Å; A125-P127 WeakPolarHBondContact O-CD 3.36Å
126K80.4Confident81.6Confident132 Ų13253.6 Ų53.657%0.57426%0.259SS*.  trans-77.1121.8176.1-65.2177.1-1721700110.1R124 D128 S129R124-K126 PolarHBondContact O-N 3.24Å; K126-D128 PolarHBondContact O-N 3.41Å; K126-S129 WeakPolarHBondContact O-CB 3.35Å; K126-S129 PolarHBondContact O-N 3.47Å
127P82.6Confident82Confident23 Ų2353.5 Ų53.515%0.14926%0.259CS..THydrogen-bonded Turntrans-66.6-36.1-178.325.7-33.2000112.9L121 A125 S129 A157L121-P127 HydrophobicContact CD2-CB 4.31Å; A125-P127 WeakPolarHBondContact O-CD 3.36Å; P127-S129 VanDerWaalsContact C-N 3.26Å; P127-S129 PolarHBondContact O-N 3.19Å; P127-A157 HydrophobicContact CB-CB 3.96Å
128D82.9Confident82.2Confident73 Ų7353.6 Ų53.639%0.3926%0.259SS..THydrogen-bonded Turntrans-88.215-179.8-54.6-43.8000113.5K126 A130 A157 D158K126-D128 PolarHBondContact O-N 3.41Å; D128-A130 PolarHBondContact O-N 3.03Å; D128-A157 VanDerWaalsContact OD1-CA 3.3Å; D128-A157 WeakPolarHBondContact OD1-CA 3.41Å; D128-D158 PolarHBondContact OD1-N 2.97Å
129S79.6Confident82.3Confident35 Ų3551 Ų5125%0.24525%0.247CC..  trans-66.8119175.4-168.40000109.3H106 K126 P127 P131H106-S129 PolarHBondContact CE1-O 3.31Å; H106-S129 PolarHBondContact NE2-O 3.48Å; K126-S129 WeakPolarHBondContact O-CB 3.35Å; K126-S129 PolarHBondContact O-N 3.47Å; P127-S129 VanDerWaalsContact C-N 3.26Å; P127-S129 PolarHBondContact O-N 3.19Å; S129-P131 VanDerWaalsContact C-CD 3.43Å; S129-P131 WeakPolarHBondContact O-CD 3.42Å
130A79Confident82.7Confident41 Ų4149.9 Ų49.934%0.33924%0.241SC..  trans-125.965.1179.400000112D128 G132 G133 R134 T135D128-A130 PolarHBondContact O-N 3.03Å; A130-G132 PolarHBondContact O-N 3.49Å; A130-G133 WeakPolarHBondContact O-CA 3.29Å; A130-G133 PolarHBondContact O-N 2.75Å; A130-R134 VanDerWaalsContact CA-O 3.25Å; A130-R134 WeakPolarHBondContact CA-O 3.49Å; A130-R134 WeakPolarHBondContact CB-O 3.29Å; A130-T135 HydrophobicContact CB-CG2 3.87Å
131P69.3Low83.1Confident36 Ų3649.6 Ų49.623%0.23424%0.24CC..THydrogen-bonded Turntrans-69.4-32.8-175.827.6-31.4000112.4L75 L101 T103 S129 G133L75-P131 HydrophobicContact CD2-CB 3.76Å; L75-P131 HydrophobicContact CD2-CG 3.66Å; L101-P131 HydrophobicContact CB-CB 4.07Å; L101-P131 WeakPolarHBondContact CD1-O 3.3Å; L101-P131 WeakPolarHBondContact O-CG 3.2Å; T103-P131 HydrophobicContact CG2-CG 3.56Å; S129-P131 VanDerWaalsContact C-CD 3.43Å; S129-P131 WeakPolarHBondContact O-CD 3.42Å; P131-G133 VanDerWaalsContact C-N 3.29Å
132G70.2Confident83.4Confident35 Ų3550.3 Ų50.336%0.36125%0.249SC..THydrogen-bonded Turntrans-90.918.7165.600000113.5L101 A130 R134 Q164L101-G132 PolarHBondContact O-N 3.3Å; A130-G132 PolarHBondContact O-N 3.49Å; G132-R134 PolarHBondContact O-N 3.05Å; G132-Q164 PolarHBondContact O-NE2 3.26Å
133G79.5Confident83.6Confident17 Ų1742.4 Ų42.418%0.17523%0.225CC..SBendtrans612.5-178.400000117.3A130 P131 D163 Q164A130-G133 WeakPolarHBondContact O-CA 3.29Å; A130-G133 PolarHBondContact O-N 2.75Å; P131-G133 VanDerWaalsContact C-N 3.29Å; G133-D163 CarbonylContact O-C 3.59Å; G133-D163 VanDerWaalsContact O-CA 3.29Å; G133-D163 WeakPolarHBondContact O-CA 3.3Å; G133-Q164 VanDerWaalsContact CA-CG 3.41Å; G133-Q164 PolarHBondContact O-N 2.8Å
134R85.1Confident84Confident90 Ų9038.8 Ų38.834%0.3421%0.213SC..SBendtrans-99148.1154.7-74.9-179.7175.3161.310109.5H106 A130 G132 H138 E139 D163 D165H106-R134 PolarHBondContact NE2-O 3.26Å; A130-R134 VanDerWaalsContact CA-O 3.25Å; A130-R134 WeakPolarHBondContact CA-O 3.49Å; A130-R134 WeakPolarHBondContact CB-O 3.29Å; G132-R134 PolarHBondContact O-N 3.05Å; R134-H138 HydrophobicContact CB-CB 4.24Å; R134-H138 HydrophobicContact CG-CB 4.46Å; R134-E139 WeakPolarHBondContact CD-OE1 3.45Å; R134-D163 HydrophobicContact CG-CB 3.86Å; R134-D163 IonicContact NE-OD2 3.87Å; R134-D165 IonicContact NH2-OD2 2.67Å; R134-D165 PolarHBondContact NH2-OD2 2.91Å
135T89.6Confident84.7Confident5 Ų531.3 Ų31.33%0.03119%0.187CC..  trans-93.7164172.465.10000110.1H106 A130 L137 H138 E139H106-T135 WeakPolarHBondContact NE2-CA 3.43Å; A130-T135 HydrophobicContact CB-CG2 3.87Å; T135-L137 PolarHBondContact O-N 3.18Å; T135-L137 VanDerWaalsContact O-N 3.14Å; T135-L137 PolarHBondContact OG1-N 3Å; T135-H138 PolarHBondContact N-ND1 2.92Å; T135-H138 WeakPolarHBondContact O-CB 3.44Å; T135-H138 PolarHBondContact O-N 3.3Å; T135-H138 PolarHBondContact OG1-N 3.22Å; T135-H138 PolarHBondContact OG1-ND1 2.97Å; T135-E139 PolarHBondContact O-N 3.42Å
136A88Confident85.5Confident0 Ų031.3 Ų31.30%019%0.188CC..Hα-helixtrans-58.4-27.9173.300000112.6L105 H106 A109 E139 A140 L152L105-A136 HydrophobicContact CB-CB 4.3Å; L105-A136 HydrophobicContact CD2-CB 3.73Å; L105-A136 HydrophobicContact CG-CB 3.72Å; H106-A136 PolarHBondContact CD2-N 3Å; H106-A136 PolarHBondContact NE2-N 2.75Å; H106-A136 VanDerWaalsContact NE2-N 3.19Å; A109-A136 HydrophobicContact CB-CB 4.09Å; A109-A136 WeakPolarHBondContact CB-O 3.43Å; A136-E139 PolarHBondContact O-N 3.1Å; A136-A140 PolarHBondContact O-N 3.39Å; A136-L152 HydrophobicContact CB-CD1 4.08Å; A136-L152 HydrophobicContact CB-CD2 4.17Å; A136-L152 WeakPolarHBondContact O-CD1 3.41Å
137L92.8Very high86.1Confident1 Ų127.9 Ų27.91%0.00518%0.184CC..Hα-helixtrans-68.3-39.9176.1-171.594.2000111.4T135 E139 A140 C141 V149 L152 L153 A157 P169 L185T135-L137 PolarHBondContact O-N 3.18Å; T135-L137 VanDerWaalsContact O-N 3.14Å; T135-L137 PolarHBondContact OG1-N 3Å; L137-E139 PolarHBondContact O-N 2.95Å; L137-A140 PolarHBondContact O-N 3.12Å; L137-C141 WeakPolarHBondContact O-CB 3.26Å; L137-C141 PolarHBondContact O-N 2.91Å; L137-C141 PolarHBondContact O-SG 3.35Å; L137-V149 HydrophobicContact CD1-CG1 4.32Å; L137-L152 HydrophobicContact CB-CD1 4.24Å; L137-L152 HydrophobicContact CD1-CB 3.86Å; L137-L152 HydrophobicContact CD1-CD1 4.39Å; L137-L153 HydrophobicContact CD1-CD2 3.81Å; L137-L153 HydrophobicContact CD1-CG 3.89Å; L137-A157 HydrophobicContact CD1-CB 4.23Å; L137-P169 HydrophobicContact CD2-CB 3.64Å; L137-P169 HydrophobicContact CD2-CG 3.37Å; L137-P169 HydrophobicContact CG-CB 4.34Å; L137-P169 HydrophobicContact CG-CG 4.41Å; L137-L185 HydrophobicContact CD1-CD2 4.49Å; L137-L185 HydrophobicContact CD2-CD2 4.06Å
138H91.6Very high86.6Confident1 Ų126.8 Ų26.81%0.00518%0.177CC..Hα-helixtrans-59.3-45.8174.3-70.8102.3000111.4R134 T135 C141 A142 T161 K167 P169 L172R134-H138 HydrophobicContact CB-CB 4.24Å; R134-H138 HydrophobicContact CG-CB 4.46Å; T135-H138 PolarHBondContact N-ND1 2.92Å; T135-H138 WeakPolarHBondContact O-CB 3.44Å; T135-H138 PolarHBondContact O-N 3.3Å; T135-H138 PolarHBondContact OG1-N 3.22Å; T135-H138 PolarHBondContact OG1-ND1 2.97Å; H138-C141 PolarHBondContact O-N 3.39Å; H138-A142 WeakPolarHBondContact O-CB 3.38Å; H138-A142 PolarHBondContact O-N 2.95Å; H138-T161 PolarHBondContact CE1-O 3.48Å; H138-T161 PolarHBondContact NE2-O 3.36Å; H138-T161 VanDerWaalsContact NE2-O 3.07Å; H138-K167 PolarHBondContact NE2-O 3.35Å; H138-P169 WeakPolarHBondContact NE2-CD 3.41Å; H138-L172 HydrophobicContact CB-CD1 3.76Å; H138-L172 VanDerWaalsContact CD2-CD1 3.43Å; H138-L172 WeakPolarHBondContact CD2-CD1 3.49Å
139E89Confident87.1Confident24 Ų2423.3 Ų23.311%0.11216%0.158CC..Hα-helixtrans-63.3-44177.9-65.2-55.3142.800112.6H106 A109 R134 T135 A136 L137 C141 A142 A143H106-E139 HydrophobicContact CB-CG 4.38Å; A109-E139 HydrophobicContact CB-CB 4.39Å; R134-E139 WeakPolarHBondContact CD-OE1 3.45Å; T135-E139 PolarHBondContact O-N 3.42Å; A136-E139 PolarHBondContact O-N 3.1Å; L137-E139 PolarHBondContact O-N 2.95Å; E139-C141 VanDerWaalsContact C-N 3.29Å; E139-C141 PolarHBondContact O-N 2.86Å; E139-A142 PolarHBondContact O-N 3.34Å; E139-A143 WeakPolarHBondContact O-CB 3.39Å; E139-A143 PolarHBondContact O-N 2.96Å
140A91.3Very high87.8Confident0 Ų025.8 Ų25.80%017%0.165CC..Hα-helixtrans-61.8-37.8175.600000112.3A109 A136 L137 G144 H145 C148 V149 L152A109-A140 HydrophobicContact CB-CB 4.11Å; A136-A140 PolarHBondContact O-N 3.39Å; L137-A140 PolarHBondContact O-N 3.12Å; A140-G144 PolarHBondContact O-N 2.91Å; A140-G144 VanDerWaalsContact O-N 3.07Å; A140-H145 PolarHBondContact O-N 3.39Å; A140-C148 HydrophobicContact CB-CB 3.95Å; A140-V149 HydrophobicContact CB-CG2 3.74Å; A140-L152 HydrophobicContact CB-CD1 4.17Å
141C92.3Very high88.6Confident0 Ų024.9 Ų24.90%016%0.156CC..Hα-helixtrans-69.8-44177.3-680000111.9L137 H138 E139 A143 G144 C173 R174L137-C141 WeakPolarHBondContact O-CB 3.26Å; L137-C141 PolarHBondContact O-N 2.91Å; L137-C141 PolarHBondContact O-SG 3.35Å; H138-C141 PolarHBondContact O-N 3.39Å; E139-C141 VanDerWaalsContact C-N 3.29Å; E139-C141 PolarHBondContact O-N 2.86Å; C141-A143 VanDerWaalsContact C-N 3.27Å; C141-A143 PolarHBondContact O-N 3.05Å; C141-G144 PolarHBondContact O-N 3.26Å; C141-C173 WeakPolarHBondContact O-CA 3.25Å; C141-R174 PolarHBondContact O-N 3.05Å; C141-R174 VanDerWaalsContact O-N 3.17Å
142A90.2Very high89.7Confident42 Ų4223.2 Ų23.235%0.34715%0.145SC..Hα-helixtrans-61.7-35.3177.500000112.6H138 E139 L172H138-A142 WeakPolarHBondContact O-CB 3.38Å; H138-A142 PolarHBondContact O-N 2.95Å; E139-A142 PolarHBondContact O-N 3.34Å; A142-L172 WeakPolarHBondContact CA-O 3.21Å
143A87.3Confident90.8Very high27 Ų2721.9 Ų21.922%0.22313%0.13CC..Hα-helixtrans-84.3-15.4177.300000114.4S110 E139 C141 H145S110-A143 WeakPolarHBondContact O-CB 3.45Å; E139-A143 WeakPolarHBondContact O-CB 3.39Å; E139-A143 PolarHBondContact O-N 2.96Å; C141-A143 VanDerWaalsContact C-N 3.27Å; C141-A143 PolarHBondContact O-N 3.05Å; A143-H145 WeakPolarHBondContact CB-CD2 3.29Å
144G89.3Confident91.5Very high4 Ų425.5 Ų25.54%0.04115%0.148CC..THydrogen-bonded Turntrans81.118.6-179.100000114.7A140 C141 A146 R174 P176A140-G144 PolarHBondContact O-N 2.91Å; A140-G144 VanDerWaalsContact O-N 3.07Å; C141-G144 PolarHBondContact O-N 3.26Å; G144-A146 PolarHBondContact O-N 3.31Å; G144-R174 WeakPolarHBondContact CA-O 3.5Å; G144-R174 PolarHBondContact N-O 3.48Å; G144-P176 CarbonylContact C-O 3.47Å; G144-P176 WeakPolarHBondContact CA-O 3.36Å
145H92.3Very high91.7Very high62 Ų6223.4 Ų23.429%0.28715%0.15SC..  trans-84.980.2-175.3-65.1-43000112.7A109 S110 G112 A140 A143 A147 C148 V149A109-H145 PolarHBondContact O-CD2 3Å; S110-H145 PolarHBondContact O-CD2 3.02Å; S110-H145 PolarHBondContact O-NE2 2.94Å; G112-H145 WeakPolarHBondContact CA-CD2 3.25Å; G112-H145 PolarHBondContact N-CD2 3.33Å; G112-H145 PolarHBondContact N-NE2 3.2Å; A140-H145 PolarHBondContact O-N 3.39Å; A143-H145 WeakPolarHBondContact CB-CD2 3.29Å; H145-A147 VanDerWaalsContact C-N 3.27Å; H145-A147 PolarHBondContact O-N 3.34Å; H145-A147 VanDerWaalsContact O-N 3.16Å; H145-C148 HydrophobicContact CB-CB 4.03Å; H145-C148 WeakPolarHBondContact O-CB 3.11Å; H145-C148 PolarHBondContact O-N 3.02Å; H145-V149 PolarHBondContact O-N 3.3Å
146A93Very high91.7Very high10 Ų1025.6 Ų25.68%0.08317%0.173CC..Hα-helixtrans-53.4-38.4-176.500000114.2G144 C148 V149 H150 E180 C181 L184G144-A146 PolarHBondContact O-N 3.31Å; A146-C148 PolarHBondContact O-N 2.97Å; A146-V149 PolarHBondContact O-N 3.32Å; A146-H150 PolarHBondContact O-N 2.96Å; A146-E180 HydrophobicContact CB-CB 3.66Å; A146-C181 WeakPolarHBondContact CA-SG 3.49Å; A146-C181 PolarHBondContact N-SG 3.14Å; A146-C181 VanDerWaalsContact N-SG 3.4Å; A146-L184 HydrophobicContact CB-CD1 4.3Å; A146-L184 WeakPolarHBondContact O-CD1 3.36Å
147A93.5Very high91.9Very high59 Ų5925.9 Ų25.949%0.48818%0.176SC..Hα-helixtrans-65.8-36.5177.100000112.8T114 H145 V151T114-A147 HydrophobicContact CG2-CB 3.49Å; T114-A147 VanDerWaalsContact CG2-CB 3.49Å; H145-A147 VanDerWaalsContact C-N 3.27Å; H145-A147 PolarHBondContact O-N 3.34Å; H145-A147 VanDerWaalsContact O-N 3.16Å; A147-V151 WeakPolarHBondContact O-CG2 3.15Å; A147-V151 PolarHBondContact O-N 3.29Å
148C92.6Very high91.9Very high1 Ų129.2 Ų29.21%0.00719%0.194CC..Hα-helixtrans-68.8-42.5173.1-71.80000111.2G112 L117 A140 H145 A146 H150 V151 L152G112-C148 VanDerWaalsContact CA-SG 3.58Å; L117-C148 HydrophobicContact CD2-CB 4.46Å; A140-C148 HydrophobicContact CB-CB 3.95Å; H145-C148 HydrophobicContact CB-CB 4.03Å; H145-C148 WeakPolarHBondContact O-CB 3.11Å; H145-C148 PolarHBondContact O-N 3.02Å; A146-C148 PolarHBondContact O-N 2.97Å; C148-H150 VanDerWaalsContact C-N 3.33Å; C148-H150 PolarHBondContact O-N 3.46Å; C148-V151 PolarHBondContact O-N 2.88Å; C148-L152 WeakPolarHBondContact O-CG 3.27Å; C148-L152 PolarHBondContact O-N 3.43Å
149V94.3Very high91.9Very high0 Ų029.7 Ų29.70%020%0.197CC..Hα-helixtrans-56.4-48.1175174.50000110.5L137 A140 H145 A146 V151 L152 L153 C181 L184 L185L137-V149 HydrophobicContact CD1-CG1 4.32Å; A140-V149 HydrophobicContact CB-CG2 3.74Å; H145-V149 PolarHBondContact O-N 3.3Å; A146-V149 PolarHBondContact O-N 3.32Å; V149-V151 PolarHBondContact O-N 3.03Å; V149-L152 PolarHBondContact O-N 3.39Å; V149-L153 HydrophobicContact CG1-CD1 3.64Å; V149-L153 HydrophobicContact CG1-CG 4.26Å; V149-L153 WeakPolarHBondContact O-CB 3.29Å; V149-L153 VanDerWaalsContact O-CG 3.26Å; V149-L153 WeakPolarHBondContact O-CG 3.47Å; V149-L153 PolarHBondContact O-N 3.24Å; V149-C181 HydrophobicContact CG2-CB 4.48Å; V149-L184 HydrophobicContact CG1-CB 4.31Å; V149-L185 HydrophobicContact CG1-CD2 4.25Å; V149-L185 HydrophobicContact CG1-CG 4.29Å
150H94.9Very high92.1Very high86 Ų8630.1 Ų30.140%0.39820%0.2SC..Hα-helixtrans-57.7-47.6177.6-177.5-96.6000112.5A146 C148 L152 L153 V154 L184A146-H150 PolarHBondContact O-N 2.96Å; C148-H150 VanDerWaalsContact C-N 3.33Å; C148-H150 PolarHBondContact O-N 3.46Å; H150-L152 PolarHBondContact O-N 3.16Å; H150-L153 PolarHBondContact O-N 2.97Å; H150-V154 WeakPolarHBondContact O-CB 3.26Å; H150-V154 VanDerWaalsContact O-CG2 3.28Å; H150-V154 WeakPolarHBondContact O-CG2 3.45Å; H150-V154 PolarHBondContact O-N 3.04Å; H150-L184 HydrophobicContact CB-CD1 3.86Å
151V94.2Very high92Very high23 Ų2331.5 Ų31.514%0.13921%0.208CC..Hα-helixtrans-64.3-40.2-179.4173.30000111.7L117 Q118 L121 A147 C148 V149 A155L117-V151 HydrophobicContact CD2-CB 3.72Å; L117-V151 HydrophobicContact CD2-CG1 3.53Å; Q118-V151 HydrophobicContact CG-CG1 3.71Å; Q118-V151 HydrophobicContact CG-CG2 4.04Å; L121-V151 HydrophobicContact CD1-CG1 3.55Å; A147-V151 WeakPolarHBondContact O-CG2 3.15Å; A147-V151 PolarHBondContact O-N 3.29Å; C148-V151 PolarHBondContact O-N 2.88Å; V149-V151 PolarHBondContact O-N 3.03Å; V151-A155 WeakPolarHBondContact O-CB 3.19Å; V151-A155 PolarHBondContact O-N 3.05Å
152L93.1Very high91.9Very high0 Ų034.4 Ų34.40%023%0.227CC..Hα-helixtrans-65.8-44177.5-71.8170.5000112L105 A109 L117 L121 A136 L137 A140 C148 V149 H150 A155 G156 A157L105-L152 HydrophobicContact CD1-CD2 4.43Å; L105-L152 HydrophobicContact CD2-CD2 4.14Å; L105-L152 HydrophobicContact CG-CD2 4.36Å; A109-L152 HydrophobicContact CB-CD1 4.37Å; L117-L152 HydrophobicContact CD1-CD2 4.16Å; L117-L152 HydrophobicContact CD1-CG 4.42Å; L117-L152 HydrophobicContact CD2-CD2 3.99Å; L117-L152 HydrophobicContact CD2-CG 3.79Å; L117-L152 HydrophobicContact CG-CD2 4.35Å; L121-L152 HydrophobicContact CD1-CD2 4.36Å; A136-L152 HydrophobicContact CB-CD1 4.08Å; A136-L152 HydrophobicContact CB-CD2 4.17Å; A136-L152 WeakPolarHBondContact O-CD1 3.41Å; L137-L152 HydrophobicContact CB-CD1 4.24Å; L137-L152 HydrophobicContact CD1-CB 3.86Å; L137-L152 HydrophobicContact CD1-CD1 4.39Å; A140-L152 HydrophobicContact CB-CD1 4.17Å; C148-L152 WeakPolarHBondContact O-CG 3.27Å; C148-L152 PolarHBondContact O-N 3.43Å; V149-L152 PolarHBondContact O-N 3.39Å; H150-L152 PolarHBondContact O-N 3.16Å; L152-A155 PolarHBondContact O-N 2.9Å; L152-G156 PolarHBondContact O-N 2.95Å; L152-A157 HydrophobicContact CB-CB 4.18Å; L152-A157 WeakPolarHBondContact O-CB 3.42Å; L152-A157 PolarHBondContact O-N 3.47Å
153L94.1Very high91.8Very high8 Ų832.9 Ų32.94%0.04221%0.213CC..Hα-helixtrans-64.6-42.6177.9-68.6170.6000111.9L137 V149 H150 A155 G156 P159 L184 L185 F188L137-L153 HydrophobicContact CD1-CD2 3.81Å; L137-L153 HydrophobicContact CD1-CG 3.89Å; V149-L153 HydrophobicContact CG1-CD1 3.64Å; V149-L153 HydrophobicContact CG1-CG 4.26Å; V149-L153 WeakPolarHBondContact O-CB 3.29Å; V149-L153 VanDerWaalsContact O-CG 3.26Å; V149-L153 WeakPolarHBondContact O-CG 3.47Å; V149-L153 PolarHBondContact O-N 3.24Å; H150-L153 PolarHBondContact O-N 2.97Å; L153-A155 PolarHBondContact O-N 3.4Å; L153-G156 PolarHBondContact O-N 3.37Å; L153-P159 HydrophobicContact CD2-CB 3.95Å; L153-P159 HydrophobicContact CD2-CG 4.45Å; L153-L184 HydrophobicContact CD1-CB 4.2Å; L153-L185 HydrophobicContact CD1-CD2 4.23Å; L153-L185 HydrophobicContact CD2-CD2 4.24Å; L153-F188 HydrophobicContact CB-CB 4.43Å; L153-F188 HydrophobicContact CB-CD1 3.81Å; L153-F188 HydrophobicContact CB-CD2 4.01Å; L153-F188 HydrophobicContact CB-CE1 3.96Å; L153-F188 HydrophobicContact CB-CE2 4.16Å; L153-F188 HydrophobicContact CB-CG 3.83Å; L153-F188 HydrophobicContact CB-CZ 4.13Å; L153-F188 HydrophobicContact CD1-CB 4.05Å; L153-F188 HydrophobicContact CD1-CD2 3.71Å; L153-F188 HydrophobicContact CD1-CE2 4.32Å; L153-F188 HydrophobicContact CD1-CG 3.93Å; L153-F188 HydrophobicContact CD2-CB 4.12Å; L153-F188 HydrophobicContact CD2-CG 4.43Å; L153-F188 HydrophobicContact CG-CB 4.43Å; L153-F188 HydrophobicContact CG-CD2 4.42Å; L153-F188 HydrophobicContact CG-CG 4.28Å
154V93.6Very high91.7Very high92 Ų9238.3 Ų38.356%0.55823%0.234SC*.Hα-helixtrans-63.4-32174.7171.50000111.7H150 G156 F188H150-V154 WeakPolarHBondContact O-CB 3.26Å; H150-V154 VanDerWaalsContact O-CG2 3.28Å; H150-V154 WeakPolarHBondContact O-CG2 3.45Å; H150-V154 PolarHBondContact O-N 3.04Å; V154-G156 PolarHBondContact O-N 3.36Å; V154-F188 HydrophobicContact CG2-CE1 4.35Å; V154-F188 HydrophobicContact CG2-CZ 3.86Å
155A89.6Confident91.4Very high46 Ų4640.9 Ų40.938%0.3825%0.247SC..THydrogen-bonded Turntrans-76-0.3175.100000114L121 V151 L152 L153L121-A155 HydrophobicContact CD1-CB 3.8Å; L121-A155 HydrophobicContact CD2-CB 3.89Å; L121-A155 HydrophobicContact CG-CB 4.31Å; V151-A155 WeakPolarHBondContact O-CB 3.19Å; V151-A155 PolarHBondContact O-N 3.05Å; L152-A155 PolarHBondContact O-N 2.9Å; L153-A155 PolarHBondContact O-N 3.4Å
156G89Confident91.1Very high51 Ų5138 Ų3853%0.52623%0.234SC..THydrogen-bonded Turntrans92.520.1175.800000114.7L152 L153 V154L152-G156 PolarHBondContact O-N 2.95Å; L153-G156 PolarHBondContact O-N 3.37Å; V154-G156 PolarHBondContact O-N 3.36Å
157A92.1Very high91Very high6 Ų640.7 Ų40.75%0.0524%0.243CC..  trans-61.3134.3170.500000110.7P127 D128 L137 L152 P159P127-A157 HydrophobicContact CB-CB 3.96Å; D128-A157 VanDerWaalsContact OD1-CA 3.3Å; D128-A157 WeakPolarHBondContact OD1-CA 3.41Å; L137-A157 HydrophobicContact CD1-CB 4.23Å; L152-A157 HydrophobicContact CB-CB 4.18Å; L152-A157 WeakPolarHBondContact O-CB 3.42Å; L152-A157 PolarHBondContact O-N 3.47Å; A157-P159 WeakPolarHBondContact O-CD 3.35Å
158D92.4Very high90.9Very high71 Ų7140.2 Ų40.238%0.3823%0.229SC..  trans-79.7117.1177178.80.9000110.9D128 N160 T161D128-D158 PolarHBondContact OD1-N 2.97Å; D158-N160 PolarHBondContact O-N 3.46Å; D158-N160 PolarHBondContact OD1-N 3.39Å; D158-T161 HydrophobicContact CB-CG2 3.76Å; D158-T161 PolarHBondContact O-N 2.96Å; D158-T161 PolarHBondContact O-OG1 3.31Å
159P92.8Very high90.9Very high12 Ų1240.1 Ų40.18%0.07823%0.229CC..THydrogen-bonded Turntrans-71.3-5-178.331.3-37.2000114.4L153 A157 P169 L185 A190L153-P159 HydrophobicContact CD2-CB 3.95Å; L153-P159 HydrophobicContact CD2-CG 4.45Å; A157-P159 WeakPolarHBondContact O-CD 3.35Å; P159-P169 VanDerWaalsContact O-CD 3.29Å; P159-P169 WeakPolarHBondContact O-CD 3.36Å; P159-P169 WeakPolarHBondContact O-CG 3.41Å; P159-L185 HydrophobicContact CB-CD2 3.99Å; P159-A190 HydrophobicContact CB-CB 4.01Å; P159-A190 HydrophobicContact CG-CB 4.48Å
160N91.8Very high90.9Very high33 Ų3340.7 Ų40.718%0.17623%0.232CC..THydrogen-bonded Turntrans-109.23.3-178.2-65-65.8000114D158 P162 G189 Q191D158-N160 PolarHBondContact O-N 3.46Å; D158-N160 PolarHBondContact OD1-N 3.39Å; N160-P162 WeakPolarHBondContact O-CD 3.38Å; N160-G189 PolarHBondContact ND2-O 3.46Å; N160-Q191 WeakPolarHBondContact OD1-CB 3.49Å; N160-Q191 WeakPolarHBondContact OD1-CG 3.45Å; N160-Q191 PolarHBondContact OD1-N 3.11Å
161T90.1Very high90.7Very high28 Ų2836.9 Ų36.917%0.17221%0.214CC..  trans-60.8124.1178.143.60000110.6H138 D158 P169H138-T161 PolarHBondContact CE1-O 3.48Å; H138-T161 PolarHBondContact NE2-O 3.36Å; H138-T161 VanDerWaalsContact NE2-O 3.07Å; D158-T161 HydrophobicContact CB-CG2 3.76Å; D158-T161 PolarHBondContact O-N 2.96Å; D158-T161 PolarHBondContact O-OG1 3.31Å; T161-P169 WeakPolarHBondContact O-CD 3.32Å
162P90.1Very high90.5Very high62 Ų6236.6 Ų36.640%0.40321%0.212SC..  trans-76147.5173.230.2-32.5000110.8N160N160-P162 WeakPolarHBondContact O-CD 3.38Å
163D87.7Confident90.3Very high9 Ų936.8 Ų36.85%0.04821%0.213CC..  trans-82.7-174.3167.375-0.2000112.2G133 R134 D165 G166 K167G133-D163 CarbonylContact O-C 3.59Å; G133-D163 VanDerWaalsContact O-CA 3.29Å; G133-D163 WeakPolarHBondContact O-CA 3.3Å; R134-D163 HydrophobicContact CG-CB 3.86Å; R134-D163 IonicContact NE-OD2 3.87Å; D163-D165 PolarHBondContact O-N 3.32Å; D163-D165 WeakPolarHBondContact OD1-CA 3.45Å; D163-D165 WeakPolarHBondContact OD1-CB 3.42Å; D163-D165 PolarHBondContact OD1-N 3.02Å; D163-G166 PolarHBondContact O-N 3.11Å; D163-G166 PolarHBondContact OD1-N 3.3Å; D163-K167 PolarHBondContact N-O 3.35Å; D163-K167 WeakPolarHBondContact OD1-CA 3.44Å; D163-K167 WeakPolarHBondContact OD1-CB 3.41Å; D163-K167 PolarHBondContact OD1-N 2.9Å
164Q85Confident89.8Confident142 Ų14242.5 Ų42.566%0.66423%0.234SC*.THydrogen-bonded Turntrans-62.2-26.4177.9-60.2-171.1-18.800113.9G132 G133G132-Q164 PolarHBondContact O-NE2 3.26Å; G133-Q164 VanDerWaalsContact CA-CG 3.41Å; G133-Q164 PolarHBondContact O-N 2.8Å
165D82.6Confident89.3Confident57 Ų5740.2 Ų40.231%0.30523%0.229SC..THydrogen-bonded Turntrans-89.211.5176.6-54.7-35.4000110.8R134 D163 K167 D198R134-D165 IonicContact NH2-OD2 2.67Å; R134-D165 PolarHBondContact NH2-OD2 2.91Å; D163-D165 PolarHBondContact O-N 3.32Å; D163-D165 WeakPolarHBondContact OD1-CA 3.45Å; D163-D165 WeakPolarHBondContact OD1-CB 3.42Å; D163-D165 PolarHBondContact OD1-N 3.02Å; D165-K167 HydrophobicContact CB-CD 4.13Å; D165-K167 HydrophobicContact CB-CG 4.23Å; D165-K167 PolarHBondContact O-N 3.26Å; D165-K167 VanDerWaalsContact O-N 3.1Å; D165-K167 IonicContact OD2-NZ 3.18Å; D165-D198 VanDerWaalsContact O-OD2 3.07Å
166G86.8Confident88.7Confident1 Ų143.3 Ų43.31%0.0125%0.245CC..SBendtrans65.313.6-175.700000114.1D163 S196 E197D163-G166 PolarHBondContact O-N 3.11Å; D163-G166 PolarHBondContact OD1-N 3.3Å; G166-S196 CarbonylContact O-C 3.56Å; G166-S196 WeakPolarHBondContact O-CA 3.31Å; G166-E197 PolarHBondContact O-N 3.31Å
167K90.4Very high88.5Confident67 Ų6742.3 Ų42.329%0.29124%0.235SC..  trans-89.1136.6-179.1-67.4171.3-170.7153.50110H138 D163 D165 H171 L172H138-K167 PolarHBondContact NE2-O 3.35Å; D163-K167 PolarHBondContact N-O 3.35Å; D163-K167 WeakPolarHBondContact OD1-CA 3.44Å; D163-K167 WeakPolarHBondContact OD1-CB 3.41Å; D163-K167 PolarHBondContact OD1-N 2.9Å; D165-K167 HydrophobicContact CB-CD 4.13Å; D165-K167 HydrophobicContact CB-CG 4.23Å; D165-K167 PolarHBondContact O-N 3.26Å; D165-K167 VanDerWaalsContact O-N 3.1Å; D165-K167 IonicContact OD2-NZ 3.18Å; K167-H171 HydrophobicContact CB-CB 4.24Å; K167-L172 HydrophobicContact CB-CD2 4.02Å; K167-L172 HydrophobicContact CB-CG 4.44Å; K167-L172 HydrophobicContact CD-CD2 3.77Å
168R92.6Very high88.5Confident49 Ų4942.9 Ų42.919%0.18524%0.237CC..  trans-84.1161.1173.3-53.4175-177.4-135.31.2110.9L170 H171 R195R168-L170 PolarHBondContact O-N 3.31Å; R168-H171 WeakPolarHBondContact CB-ND1 3.44Å; R168-H171 PolarHBondContact N-ND1 3.25Å; R168-H171 VanDerWaalsContact N-ND1 3.15Å; R168-H171 WeakPolarHBondContact O-CB 3.41Å; R168-H171 PolarHBondContact O-N 2.89Å; R168-H171 PolarHBondContact O-ND1 3.39Å; R168-R195 PolarHBondContact NE-O 3.05Å
169P92.1Very high88.5Confident0 Ų042 Ų420%023%0.232CC..Hα-helixtrans-52.3-38-179.6-26.534000113.3L137 H138 P159 T161 H171 L172 C173 L185L137-P169 HydrophobicContact CD2-CB 3.64Å; L137-P169 HydrophobicContact CD2-CG 3.37Å; L137-P169 HydrophobicContact CG-CB 4.34Å; L137-P169 HydrophobicContact CG-CG 4.41Å; H138-P169 WeakPolarHBondContact NE2-CD 3.41Å; P159-P169 VanDerWaalsContact O-CD 3.29Å; P159-P169 WeakPolarHBondContact O-CD 3.36Å; P159-P169 WeakPolarHBondContact O-CG 3.41Å; T161-P169 WeakPolarHBondContact O-CD 3.32Å; P169-H171 VanDerWaalsContact C-N 3.28Å; P169-H171 PolarHBondContact O-N 3.12Å; P169-L172 PolarHBondContact O-N 2.99Å; P169-C173 PolarHBondContact O-N 3.07Å; P169-C173 PolarHBondContact O-SG 3.4Å; P169-C173 VanDerWaalsContact O-SG 3.35Å; P169-L185 HydrophobicContact CB-CD1 4.28Å; P169-L185 HydrophobicContact CB-CD2 4.19Å
170L92.9Very high88.6Confident11 Ų1147.4 Ų47.46%0.05826%0.256CS..Hα-helixtrans-62.6-30.5178.9-138.8156.1000113.2R168 L172 V182 L185 L186 A190 P203 L219R168-L170 PolarHBondContact O-N 3.31Å; L170-L172 VanDerWaalsContact C-N 3.32Å; L170-V182 HydrophobicContact CD2-CG1 4.01Å; L170-V182 HydrophobicContact CD2-CG2 4.35Å; L170-V182 HydrophobicContact CG-CG1 4.49Å; L170-L185 HydrophobicContact CB-CD1 4.35Å; L170-L185 HydrophobicContact CD1-CB 4.47Å; L170-L185 HydrophobicContact CG-CD1 4.23Å; L170-L186 HydrophobicContact CD1-CD2 3.7Å; L170-L186 HydrophobicContact CD1-CG 4.2Å; L170-A190 HydrophobicContact CD1-CB 3.74Å; L170-P203 HydrophobicContact CB-CG 4.11Å; L170-P203 HydrophobicContact CD2-CB 3.36Å; L170-P203 HydrophobicContact CD2-CG 3.68Å; L170-P203 HydrophobicContact CG-CB 4.47Å; L170-P203 HydrophobicContact CG-CG 4.34Å; L170-L219 HydrophobicContact CD2-CD2 3.73Å
171H91.8Very high88.7Confident7 Ų745.8 Ų45.83%0.03225%0.248CC..Hα-helixtrans-74.7-23.4175.6-58.493.9000112.9K167 R168 P169 G194 E201 P203 V206K167-H171 HydrophobicContact CB-CB 4.24Å; R168-H171 WeakPolarHBondContact CB-ND1 3.44Å; R168-H171 PolarHBondContact N-ND1 3.25Å; R168-H171 VanDerWaalsContact N-ND1 3.15Å; R168-H171 WeakPolarHBondContact O-CB 3.41Å; R168-H171 PolarHBondContact O-N 2.89Å; R168-H171 PolarHBondContact O-ND1 3.39Å; P169-H171 VanDerWaalsContact C-N 3.28Å; P169-H171 PolarHBondContact O-N 3.12Å; H171-G194 PolarHBondContact CE1-O 3.21Å; H171-G194 PolarHBondContact NE2-O 2.9Å; H171-G194 VanDerWaalsContact NE2-O 3.09Å; H171-E201 PolarHBondContact NE2-O 2.99Å; H171-E201 VanDerWaalsContact NE2-O 3.1Å; H171-P203 WeakPolarHBondContact NE2-CD 3.32Å; H171-V206 HydrophobicContact CB-CG2 4.3Å
172L89.6Confident88.9Confident17 Ų1744.5 Ų44.59%0.08924%0.239CC..Hα-helixtrans-92.2-12-175.8-59.3-170.8000112.9H138 A142 K167 P169 L170 R174H138-L172 HydrophobicContact CB-CD1 3.76Å; H138-L172 VanDerWaalsContact CD2-CD1 3.43Å; H138-L172 WeakPolarHBondContact CD2-CD1 3.49Å; A142-L172 WeakPolarHBondContact CA-O 3.21Å; K167-L172 HydrophobicContact CB-CD2 4.02Å; K167-L172 HydrophobicContact CB-CG 4.44Å; K167-L172 HydrophobicContact CD-CD2 3.77Å; P169-L172 PolarHBondContact O-N 2.99Å; L170-L172 VanDerWaalsContact C-N 3.32Å; L172-R174 WeakPolarHBondContact O-CG 3.45Å; L172-R174 PolarHBondContact O-N 3.5Å
173C89.6Confident89.1Confident4 Ų445 Ų453%0.02724%0.237CC..  trans-52.9115.7-179.9-65.60000111.3C141 P169 I178 V182 L185C141-C173 WeakPolarHBondContact O-CA 3.25Å; P169-C173 PolarHBondContact O-N 3.07Å; P169-C173 PolarHBondContact O-SG 3.4Å; P169-C173 VanDerWaalsContact O-SG 3.35Å; C173-I178 HydrophobicContact CB-CD1 4.37Å; C173-I178 HydrophobicContact CB-CG1 3.8Å; C173-I178 WeakPolarHBondContact O-CD1 3.42Å; C173-V182 HydrophobicContact CB-CG2 3.72Å; C173-L185 VanDerWaalsContact SG-CD1 3.55Å
174R84Confident89.5Confident127 Ų12746 Ų4648%0.47924%0.242SC..  trans-146.2169.7-179.7-69.6-178.7-173.5-163.21.8110.3C141 G144 L172 L210C141-R174 PolarHBondContact O-N 3.05Å; C141-R174 VanDerWaalsContact O-N 3.17Å; G144-R174 WeakPolarHBondContact CA-O 3.5Å; G144-R174 PolarHBondContact N-O 3.48Å; L172-R174 WeakPolarHBondContact O-CG 3.45Å; L172-R174 PolarHBondContact O-N 3.5Å; R174-L210 HydrophobicContact CG-CD1 4.48Å
175G81.6Confident89.9Confident44 Ų4439.3 Ų39.345%0.45421%0.21SC..SBendtrans82-170.7172.800000114.8
176P77.4Confident90.5Very high111 Ų11137.1 Ų37.172%0.72120%0.199SC*.THydrogen-bonded Turntrans-66.7138.2175.529.8-33.4000109.8G144G144-P176 CarbonylContact C-O 3.47Å; G144-P176 WeakPolarHBondContact CA-O 3.36Å
177G85Confident90.9Very high30 Ų3042.9 Ų42.931%0.30922%0.223SC..THydrogen-bonded Turntrans86.76.7-179.400000115.4L179 E180 C181G177-L179 VanDerWaalsContact C-N 3.27Å; G177-L179 PolarHBondContact O-N 3.38Å; G177-E180 PolarHBondContact O-N 3.34Å; G177-E180 VanDerWaalsContact O-N 3.15Å; G177-C181 PolarHBondContact O-N 3.25Å; G177-C181 PolarHBondContact O-SG 2.84Å
178I91.4Very high91.1Very high19 Ų1943.8 Ų43.810%0.09723%0.227CC..Hα-helixtrans-50.6-42.4178.7-167.6176.7000113.7C173 C181 V182 L215C173-I178 HydrophobicContact CB-CD1 4.37Å; C173-I178 HydrophobicContact CB-CG1 3.8Å; C173-I178 WeakPolarHBondContact O-CD1 3.42Å; I178-C181 PolarHBondContact O-N 2.98Å; I178-V182 VanDerWaalsContact O-CG2 3.3Å; I178-V182 WeakPolarHBondContact O-CG2 3.16Å; I178-V182 PolarHBondContact O-N 2.92Å; I178-L215 HydrophobicContact CD1-CD2 3.7Å; I178-L215 HydrophobicContact CG1-CD2 4.39Å
179L93.3Very high91Very high52 Ų5243.7 Ų43.727%0.27224%0.242SC..Hα-helixtrans-64.4-45.6-178.7-62.5177.5000111.2G177 V182 E183 E214 L215 L218G177-L179 VanDerWaalsContact C-N 3.27Å; G177-L179 PolarHBondContact O-N 3.38Å; L179-V182 PolarHBondContact O-N 3.35Å; L179-E183 WeakPolarHBondContact O-CG 3.43Å; L179-E183 PolarHBondContact O-N 2.96Å; L179-E214 HydrophobicContact CD1-CB 4.2Å; L179-E214 HydrophobicContact CD2-CB 4.12Å; L179-L215 HydrophobicContact CD2-CB 4.19Å; L179-L218 HydrophobicContact CD2-CD1 4.39Å
180E94.4Very high91.1Very high125 Ų12544.1 Ų44.158%0.58425%0.245SC*.Hα-helixtrans-64.3-42.4177.7-65.2177.7-172.900111.3A146 G177 V182 E183 L184A146-E180 HydrophobicContact CB-CB 3.66Å; G177-E180 PolarHBondContact O-N 3.34Å; G177-E180 VanDerWaalsContact O-N 3.15Å; E180-V182 VanDerWaalsContact C-N 3.35Å; E180-V182 PolarHBondContact O-N 3.48Å; E180-E183 PolarHBondContact O-N 3.39Å; E180-L184 WeakPolarHBondContact O-CB 3.25Å; E180-L184 VanDerWaalsContact O-CG 3.25Å; E180-L184 WeakPolarHBondContact O-CG 3.35Å; E180-L184 PolarHBondContact O-N 3.46Å
181C93.8Very high91.1Very high0 Ų048.4 Ų48.40%027%0.265CS..Hα-helixtrans-57.1-48.1174.2-70.10000111.6A146 V149 G177 I178 L184 L185A146-C181 WeakPolarHBondContact CA-SG 3.49Å; A146-C181 PolarHBondContact N-SG 3.14Å; A146-C181 VanDerWaalsContact N-SG 3.4Å; V149-C181 HydrophobicContact CG2-CB 4.48Å; G177-C181 PolarHBondContact O-N 3.25Å; G177-C181 PolarHBondContact O-SG 2.84Å; I178-C181 PolarHBondContact O-N 2.98Å; C181-L184 PolarHBondContact O-N 3Å; C181-L185 WeakPolarHBondContact O-CG 3.39Å; C181-L185 PolarHBondContact O-N 3.01Å
182V94.9Very high91.1Very high0 Ų049.3 Ų49.30%027%0.271CS..Hα-helixtrans-68.3-41.6-178.1172.80000111.1L170 C173 I178 L179 E180 L184 L185 L186 L215 L218 L219L170-V182 HydrophobicContact CD2-CG1 4.01Å; L170-V182 HydrophobicContact CD2-CG2 4.35Å; L170-V182 HydrophobicContact CG-CG1 4.49Å; C173-V182 HydrophobicContact CB-CG2 3.72Å; I178-V182 VanDerWaalsContact O-CG2 3.3Å; I178-V182 WeakPolarHBondContact O-CG2 3.16Å; I178-V182 PolarHBondContact O-N 2.92Å; L179-V182 PolarHBondContact O-N 3.35Å; E180-V182 VanDerWaalsContact C-N 3.35Å; E180-V182 PolarHBondContact O-N 3.48Å; V182-L184 VanDerWaalsContact C-N 3.29Å; V182-L184 PolarHBondContact O-N 3.34Å; V182-L185 PolarHBondContact O-N 3.01Å; V182-L186 HydrophobicContact CG1-CD1 3.77Å; V182-L186 HydrophobicContact CG1-CG 4.23Å; V182-L186 WeakPolarHBondContact O-CB 3.43Å; V182-L186 WeakPolarHBondContact O-CG 3.37Å; V182-L186 PolarHBondContact O-N 3.39Å; V182-L215 HydrophobicContact CB-CD1 4.05Å; V182-L215 HydrophobicContact CG1-CD1 3.97Å; V182-L215 HydrophobicContact CG2-CD1 3.71Å; V182-L218 HydrophobicContact CB-CD2 4.48Å; V182-L218 HydrophobicContact CG1-CD2 3.67Å; V182-L219 HydrophobicContact CG1-CD2 4.08Å
183E95Very high91.1Very high74 Ų7451.1 Ų51.135%0.34628%0.281SS..Hα-helixtrans-57.3-43.2172.8-77.9-166.1-167.900112.6L179 E180 K187 L218L179-E183 WeakPolarHBondContact O-CG 3.43Å; L179-E183 PolarHBondContact O-N 2.96Å; E180-E183 PolarHBondContact O-N 3.39Å; E183-K187 WeakPolarHBondContact O-CB 3.32Å; E183-K187 WeakPolarHBondContact O-CD 3.47Å; E183-K187 WeakPolarHBondContact O-CG 3.31Å; E183-K187 PolarHBondContact O-N 3.02Å; E183-K187 IonicContact OE2-NZ 2.86Å; E183-K187 PolarHBondContact OE2-NZ 3.48Å; E183-L218 HydrophobicContact CG-CD1 3.61Å; E183-L218 HydrophobicContact CG-CD2 4.5Å
184L94.9Very high91.1Very high30 Ų3051 Ų5116%0.15728%0.28CS..Hα-helixtrans-64.1-49.7177.9-73.5172.6000110.8A146 V149 H150 L153 E180 C181 V182 L186 K187 F188A146-L184 HydrophobicContact CB-CD1 4.3Å; A146-L184 WeakPolarHBondContact O-CD1 3.36Å; V149-L184 HydrophobicContact CG1-CB 4.31Å; H150-L184 HydrophobicContact CB-CD1 3.86Å; L153-L184 HydrophobicContact CD1-CB 4.2Å; E180-L184 WeakPolarHBondContact O-CB 3.25Å; E180-L184 VanDerWaalsContact O-CG 3.25Å; E180-L184 WeakPolarHBondContact O-CG 3.35Å; E180-L184 PolarHBondContact O-N 3.46Å; C181-L184 PolarHBondContact O-N 3Å; V182-L184 VanDerWaalsContact C-N 3.29Å; V182-L184 PolarHBondContact O-N 3.34Å; L184-L186 VanDerWaalsContact C-N 3.28Å; L184-L186 PolarHBondContact O-N 2.79Å; L184-K187 PolarHBondContact O-N 3.31Å; L184-F188 VanDerWaalsContact O-CD2 3.29Å; L184-F188 WeakPolarHBondContact O-CD2 3.37Å; L184-F188 PolarHBondContact O-N 2.96Å
185L94.6Very high91.5Very high0 Ų050.2 Ų50.20%028%0.278CS..Hα-helixtrans-55.6-45.2177.5-71.6171000111.7L137 V149 L153 P159 P169 L170 C173 C181 V182 F188 G189 A190L137-L185 HydrophobicContact CD1-CD2 4.49Å; L137-L185 HydrophobicContact CD2-CD2 4.06Å; V149-L185 HydrophobicContact CG1-CD2 4.25Å; V149-L185 HydrophobicContact CG1-CG 4.29Å; L153-L185 HydrophobicContact CD1-CD2 4.23Å; L153-L185 HydrophobicContact CD2-CD2 4.24Å; P159-L185 HydrophobicContact CB-CD2 3.99Å; P169-L185 HydrophobicContact CB-CD1 4.28Å; P169-L185 HydrophobicContact CB-CD2 4.19Å; L170-L185 HydrophobicContact CB-CD1 4.35Å; L170-L185 HydrophobicContact CD1-CB 4.47Å; L170-L185 HydrophobicContact CG-CD1 4.23Å; C173-L185 VanDerWaalsContact SG-CD1 3.55Å; C181-L185 WeakPolarHBondContact O-CG 3.39Å; C181-L185 PolarHBondContact O-N 3.01Å; V182-L185 PolarHBondContact O-N 3.01Å; L185-F188 CarbonylContact O-C 3.55Å; L185-F188 PolarHBondContact O-N 3.08Å; L185-G189 PolarHBondContact O-N 2.96Å; L185-A190 HydrophobicContact CB-CB 3.9Å; L185-A190 WeakPolarHBondContact O-CB 3.19Å; L185-A190 PolarHBondContact O-N 3.28Å
186L94.7Very high91.9Very high11 Ų1148.5 Ų48.56%0.05826%0.258CS..Hα-helixtrans-65.4-42.1178.9-68.3175000112.5L170 V182 L184 F188 G189 V192 L218 L219 W222L170-L186 HydrophobicContact CD1-CD2 3.7Å; L170-L186 HydrophobicContact CD1-CG 4.2Å; V182-L186 HydrophobicContact CG1-CD1 3.77Å; V182-L186 HydrophobicContact CG1-CG 4.23Å; V182-L186 WeakPolarHBondContact O-CB 3.43Å; V182-L186 WeakPolarHBondContact O-CG 3.37Å; V182-L186 PolarHBondContact O-N 3.39Å; L184-L186 VanDerWaalsContact C-N 3.28Å; L184-L186 PolarHBondContact O-N 2.79Å; L186-F188 PolarHBondContact O-N 3.1Å; L186-G189 PolarHBondContact O-N 3.15Å; L186-G189 VanDerWaalsContact O-N 3.11Å; L186-V192 HydrophobicContact CD2-CB 4.36Å; L186-V192 HydrophobicContact CD2-CG2 3.47Å; L186-V192 VanDerWaalsContact CD2-CG2 3.47Å; L186-L218 HydrophobicContact CD1-CD2 3.69Å; L186-L219 HydrophobicContact CD1-CD2 4.44Å; L186-W222 HydrophobicContact CB-CD2 4.01Å; L186-W222 HydrophobicContact CB-CE3 4Å; L186-W222 HydrophobicContact CB-CH2 4.38Å; L186-W222 HydrophobicContact CB-CZ2 4.38Å; L186-W222 HydrophobicContact CB-CZ3 4.19Å; L186-W222 HydrophobicContact CD1-CB 3.91Å; L186-W222 HydrophobicContact CD1-CD2 3.89Å; L186-W222 HydrophobicContact CD1-CG 3.56Å
187K95Very high92.5Very high122 Ų12249.9 Ų49.953%0.5326%0.255SS..Hα-helixtrans-61.1-32.8174.9-74.8165.6-169.9159.50112.5E183 L184 G189 W222E183-K187 WeakPolarHBondContact O-CB 3.32Å; E183-K187 WeakPolarHBondContact O-CD 3.47Å; E183-K187 WeakPolarHBondContact O-CG 3.31Å; E183-K187 PolarHBondContact O-N 3.02Å; E183-K187 IonicContact OE2-NZ 2.86Å; E183-K187 PolarHBondContact OE2-NZ 3.48Å; L184-K187 PolarHBondContact O-N 3.31Å; K187-G189 VanDerWaalsContact C-N 3.32Å; K187-W222 HydrophobicContact CG-CH2 3.9Å; K187-W222 HydrophobicContact CG-CZ2 4.23Å
188F93.9Very high92.5Very high86 Ų8653.6 Ų53.638%0.37727%0.268SS..THydrogen-bonded Turntrans-89.411.2177.8-79.7-94.2000113.8L153 V154 L184 L185 L186L153-F188 HydrophobicContact CB-CB 4.43Å; L153-F188 HydrophobicContact CB-CD1 3.81Å; L153-F188 HydrophobicContact CB-CD2 4.01Å; L153-F188 HydrophobicContact CB-CE1 3.96Å; L153-F188 HydrophobicContact CB-CE2 4.16Å; L153-F188 HydrophobicContact CB-CG 3.83Å; L153-F188 HydrophobicContact CB-CZ 4.13Å; L153-F188 HydrophobicContact CD1-CB 4.05Å; L153-F188 HydrophobicContact CD1-CD2 3.71Å; L153-F188 HydrophobicContact CD1-CE2 4.32Å; L153-F188 HydrophobicContact CD1-CG 3.93Å; L153-F188 HydrophobicContact CD2-CB 4.12Å; L153-F188 HydrophobicContact CD2-CG 4.43Å; L153-F188 HydrophobicContact CG-CB 4.43Å; L153-F188 HydrophobicContact CG-CD2 4.42Å; L153-F188 HydrophobicContact CG-CG 4.28Å; V154-F188 HydrophobicContact CG2-CE1 4.35Å; V154-F188 HydrophobicContact CG2-CZ 3.86Å; L184-F188 VanDerWaalsContact O-CD2 3.29Å; L184-F188 WeakPolarHBondContact O-CD2 3.37Å; L184-F188 PolarHBondContact O-N 2.96Å; L185-F188 CarbonylContact O-C 3.55Å; L185-F188 PolarHBondContact O-N 3.08Å; L186-F188 PolarHBondContact O-N 3.1Å
189G91.3Very high92.2Very high47 Ų4756.9 Ų56.949%0.48528%0.283SS..THydrogen-bonded Turntrans89.124.8171.400000115.2N160 L185 L186 K187N160-G189 PolarHBondContact ND2-O 3.46Å; L185-G189 PolarHBondContact O-N 2.96Å; L186-G189 PolarHBondContact O-N 3.15Å; L186-G189 VanDerWaalsContact O-N 3.11Å; K187-G189 VanDerWaalsContact C-N 3.32Å
190A93.5Very high92Very high9 Ų958.2 Ų58.27%0.07429%0.288CS..  trans-62.1139.1168.100000111.2P159 L170 L185 V192P159-A190 HydrophobicContact CB-CB 4.01Å; P159-A190 HydrophobicContact CG-CB 4.48Å; L170-A190 HydrophobicContact CD1-CB 3.74Å; L185-A190 HydrophobicContact CB-CB 3.9Å; L185-A190 WeakPolarHBondContact O-CB 3.19Å; L185-A190 PolarHBondContact O-N 3.28Å; A190-V192 PolarHBondContact O-N 2.68Å
191Q92.5Very high91.9Very high101 Ų10152.8 Ų52.847%0.47226%0.262SS..  trans-73112.9177.2-68.8176.71200110.3N160 D193 G194N160-Q191 WeakPolarHBondContact OD1-CB 3.49Å; N160-Q191 WeakPolarHBondContact OD1-CG 3.45Å; N160-Q191 PolarHBondContact OD1-N 3.11Å; Q191-D193 VanDerWaalsContact C-N 3.34Å; Q191-D193 PolarHBondContact O-N 2.9Å; Q191-G194 PolarHBondContact O-N 3.18Å; Q191-G194 VanDerWaalsContact O-N 3.07Å
192V92Very high91.9Very high27 Ų2752.8 Ų52.816%0.16426%0.262CS..THydrogen-bonded Turntrans-57.8-45.2-179.7-1770000111.7L186 A190 P203 W222 A224L186-V192 HydrophobicContact CD2-CB 4.36Å; L186-V192 HydrophobicContact CD2-CG2 3.47Å; L186-V192 VanDerWaalsContact CD2-CG2 3.47Å; A190-V192 PolarHBondContact O-N 2.68Å; V192-P203 VanDerWaalsContact O-CD 3.25Å; V192-P203 WeakPolarHBondContact O-CD 3.45Å; V192-P203 WeakPolarHBondContact O-CG 3.01Å; V192-W222 HydrophobicContact CG2-CB 4.29Å; V192-A224 HydrophobicContact CG1-CB 3.53Å
193D90.8Very high91.8Very high54 Ų5452.9 Ų52.929%0.28926%0.263SS..THydrogen-bonded Turntrans-98.821.7177.4-67.4-35.5000112.2Q191 R195 A224 C225Q191-D193 VanDerWaalsContact C-N 3.34Å; Q191-D193 PolarHBondContact O-N 2.9Å; D193-R195 PolarHBondContact O-N 3.15Å; D193-A224 WeakPolarHBondContact OD1-CA 3.39Å; D193-C225 PolarHBondContact OD1-N 3.17Å; D193-C225 PolarHBondContact OD2-N 2.89Å; D193-C225 PolarHBondContact OD2-SG 3.37Å
194G89.1Confident91.8Very high2 Ų249.4 Ų49.42%0.02125%0.247CC..PPolyproline II helixtrans-59.7121.3177.500000109.8H171 Q191 P203H171-G194 PolarHBondContact CE1-O 3.21Å; H171-G194 PolarHBondContact NE2-O 2.9Å; H171-G194 VanDerWaalsContact NE2-O 3.09Å; Q191-G194 PolarHBondContact O-N 3.18Å; Q191-G194 VanDerWaalsContact O-N 3.07Å; G194-P203 WeakPolarHBondContact O-CD 3.41Å
195R91.8Very high91.8Very high111 Ų11148 Ų4842%0.41924%0.24SC..PPolyproline II helixtrans-82.7147.1-179-62.5-175.3-175.3-173.11.4111.3R168 D193 E200 E201 T202R168-R195 PolarHBondContact NE-O 3.05Å; D193-R195 PolarHBondContact O-N 3.15Å; R195-E200 IonicContact CZ-OE2 3.95Å; R195-E200 IonicContact NH1-OE2 2.83Å; R195-E200 PolarHBondContact NH1-OE2 3.37Å; R195-E201 CarbonylContact C-O 3.56Å; R195-E201 VanDerWaalsContact CA-O 3.3Å; R195-E201 WeakPolarHBondContact CA-O 3.33Å; R195-T202 HydrophobicContact CG-CG2 4.38Å
196S91.6Very high91.6Very high7 Ų748.5 Ų48.55%0.04924%0.242CC..PPolyproline II helixtrans-69.5150.9161.963.80000110.7G166 E200 E201G166-S196 CarbonylContact O-C 3.56Å; G166-S196 WeakPolarHBondContact O-CA 3.31Å; S196-E200 VanDerWaalsContact O-CA 3.26Å; S196-E200 WeakPolarHBondContact O-CA 3.1Å; S196-E200 PolarHBondContact O-N 2.95Å; S196-E200 PolarHBondContact OG-N 3.38Å; S196-E201 PolarHBondContact N-O 3.07Å; S196-E201 PolarHBondContact OG-N 2.95Å
197E88.7Confident91.4Very high140 Ų14048 Ų4865%0.65424%0.24SC*.THydrogen-bonded Turntrans-75.5-35.3-178.3-55.7-171159.600112.6G166G166-E197 PolarHBondContact O-N 3.31Å
198D84.8Confident91.3Very high109 Ų10942.1 Ų42.158%0.58321%0.214SC*.THydrogen-bonded Turntrans-77.7-52.9-175.2-70.5-17.8000113.3D165D165-D198 VanDerWaalsContact O-OD2 3.07Å
199E85.1Confident91.1Very high87 Ų8743.2 Ų43.241%0.40722%0.216SC..THydrogen-bonded Turntrans-107.2-1.6-171.6-65.9179-177.800112.9E201 R209 N230 S231E199-E201 HydrophobicContact CB-CG 3.73Å; E199-E201 PolarHBondContact O-N 3.31Å; E199-E201 VanDerWaalsContact O-N 3.15Å; E199-R209 IonicContact OE2-NH1 2.68Å; E199-N230 WeakPolarHBondContact O-CB 3.4Å; E199-S231 WeakPolarHBondContact O-CB 3.34Å; E199-S231 PolarHBondContact O-N 3.25Å; E199-S231 PolarHBondContact O-OG 3.17Å
200E90.8Very high90.8Very high81 Ų8144 Ų4438%0.37921%0.209SC..  trans5328-171.8-65.1-166.4-151.500114.1R195 S196R195-E200 IonicContact CZ-OE2 3.95Å; R195-E200 IonicContact NH1-OE2 2.83Å; R195-E200 PolarHBondContact NH1-OE2 3.37Å; S196-E200 VanDerWaalsContact O-CA 3.26Å; S196-E200 WeakPolarHBondContact O-CA 3.1Å; S196-E200 PolarHBondContact O-N 2.95Å; S196-E200 PolarHBondContact OG-N 3.38Å
201E91.7Very high90.5Very high10 Ų1044.1 Ų44.15%0.04721%0.211CC..  trans-75.9146-179.8-69-168.4141.200111.1H171 R195 S196 E199 H205 R209 N230H171-E201 PolarHBondContact NE2-O 2.99Å; H171-E201 VanDerWaalsContact NE2-O 3.1Å; R195-E201 CarbonylContact C-O 3.56Å; R195-E201 VanDerWaalsContact CA-O 3.3Å; R195-E201 WeakPolarHBondContact CA-O 3.33Å; S196-E201 PolarHBondContact N-O 3.07Å; S196-E201 PolarHBondContact OG-N 2.95Å; E199-E201 HydrophobicContact CB-CG 3.73Å; E199-E201 PolarHBondContact O-N 3.31Å; E199-E201 VanDerWaalsContact O-N 3.15Å; E201-H205 HydrophobicContact CB-CB 4.29Å; E201-R209 VanDerWaalsContact CD-NH1 3.3Å; E201-R209 IonicContact OE1-CZ 3.78Å; E201-R209 IonicContact OE1-NH1 3.79Å; E201-R209 PolarHBondContact OE1-NH1 3.33Å; E201-R209 IonicContact OE1-NH2 3.79Å; E201-R209 IonicContact OE2-CZ 3.84Å; E201-R209 IonicContact OE2-NH1 3.96Å; E201-R209 PolarHBondContact OE2-NH1 2.99Å; E201-R209 IonicContact OE2-NH2 3.91Å; E201-R209 PolarHBondContact OE2-NH2 3.2Å; E201-N230 HydrophobicContact CG-CB 4.11Å
202T93.8Very high90.4Very high0 Ų043 Ų430%021%0.205CC..  trans-97.2161.916969.10000110.6R195 L204 H205 V206 V228R195-T202 HydrophobicContact CG-CG2 4.38Å; T202-L204 PolarHBondContact O-N 2.68Å; T202-L204 VanDerWaalsContact O-N 3.11Å; T202-H205 PolarHBondContact N-ND1 3.47Å; T202-H205 VanDerWaalsContact O-CB 3.32Å; T202-H205 WeakPolarHBondContact O-CB 3.34Å; T202-H205 PolarHBondContact O-N 3.28Å; T202-H205 PolarHBondContact OG1-ND1 2.93Å; T202-V206 PolarHBondContact O-N 3.19Å; T202-V228 HydrophobicContact CG2-CB 3.95Å; T202-V228 HydrophobicContact CG2-CG1 3.53Å; T202-V228 HydrophobicContact CG2-CG2 4.27Å
203P93.1Very high90.4Very high3 Ų343 Ų432%0.01921%0.205CC..Hα-helixtrans-57.2-29.2175.2-25.635.2000113.5L170 H171 V192 G194 V206 A207 L219L170-P203 HydrophobicContact CB-CG 4.11Å; L170-P203 HydrophobicContact CD2-CB 3.36Å; L170-P203 HydrophobicContact CD2-CG 3.68Å; L170-P203 HydrophobicContact CG-CB 4.47Å; L170-P203 HydrophobicContact CG-CG 4.34Å; H171-P203 WeakPolarHBondContact NE2-CD 3.32Å; V192-P203 VanDerWaalsContact O-CD 3.25Å; V192-P203 WeakPolarHBondContact O-CD 3.45Å; V192-P203 WeakPolarHBondContact O-CG 3.01Å; G194-P203 WeakPolarHBondContact O-CD 3.41Å; P203-V206 PolarHBondContact O-N 3.48Å; P203-A207 PolarHBondContact O-N 2.66Å; P203-L219 HydrophobicContact CB-CD1 4.07Å; P203-L219 HydrophobicContact CB-CD2 4.35Å
204L94.7Very high90.5Very high1 Ų147 Ų471%0.00522%0.222CC..Hα-helixtrans-66.3-35.2174.6-170.564.3000112.3T202 V206 A207 A208 A216 L219 L220 A224 P236 L265T202-L204 PolarHBondContact O-N 2.68Å; T202-L204 VanDerWaalsContact O-N 3.11Å; L204-V206 VanDerWaalsContact C-N 3.34Å; L204-A207 PolarHBondContact O-N 3.39Å; L204-A208 VanDerWaalsContact O-CB 3.28Å; L204-A208 WeakPolarHBondContact O-CB 3.41Å; L204-A208 PolarHBondContact O-N 2.92Å; L204-A216 HydrophobicContact CD1-CB 3.95Å; L204-L219 HydrophobicContact CB-CD1 4.45Å; L204-L219 HydrophobicContact CD1-CB 4.27Å; L204-L219 HydrophobicContact CD1-CD1 4.37Å; L204-L220 HydrophobicContact CD1-CD1 4.29Å; L204-L220 HydrophobicContact CD1-CG 4.12Å; L204-L220 HydrophobicContact CD2-CD2 3.9Å; L204-L220 HydrophobicContact CD2-CG 4.39Å; L204-A224 HydrophobicContact CD2-CB 4.25Å; L204-P236 HydrophobicContact CB-CG 4.42Å; L204-P236 HydrophobicContact CD2-CB 3.98Å; L204-P236 HydrophobicContact CD2-CG 3.83Å; L204-P236 HydrophobicContact CG-CB 3.89Å; L204-P236 HydrophobicContact CG-CG 4.06Å; L204-L265 HydrophobicContact CD2-CD2 4.17Å
205H93.6Very high90.7Very high0 Ų047.4 Ų47.40%022%0.224CC..Hα-helixtrans-63.3-42.4172.2-69.187000111.2E201 T202 A208 R209 V228 W234 P236E201-H205 HydrophobicContact CB-CB 4.29Å; T202-H205 PolarHBondContact N-ND1 3.47Å; T202-H205 VanDerWaalsContact O-CB 3.32Å; T202-H205 WeakPolarHBondContact O-CB 3.34Å; T202-H205 PolarHBondContact O-N 3.28Å; T202-H205 PolarHBondContact OG1-ND1 2.93Å; H205-A208 PolarHBondContact O-N 3.49Å; H205-R209 WeakPolarHBondContact O-CB 3.49Å; H205-R209 PolarHBondContact O-N 3.15Å; H205-V228 PolarHBondContact CE1-O 3.04Å; H205-V228 VanDerWaalsContact CE1-O 3.32Å; H205-V228 PolarHBondContact NE2-O 3.37Å; H205-W234 PolarHBondContact NE2-O 3.14Å; H205-P236 WeakPolarHBondContact NE2-CD 3.33Å
206V90.9Very high90.8Very high10 Ų1042.1 Ų42.16%0.06120%0.204CC..Hα-helixtrans-64.6-47.2177.7-175.90000110.9H171 T202 P203 L204 A208 R209 L210H171-V206 HydrophobicContact CB-CG2 4.3Å; T202-V206 PolarHBondContact O-N 3.19Å; P203-V206 PolarHBondContact O-N 3.48Å; L204-V206 VanDerWaalsContact C-N 3.34Å; V206-A208 VanDerWaalsContact C-N 3.26Å; V206-A208 PolarHBondContact O-N 3.46Å; V206-R209 PolarHBondContact O-N 2.91Å; V206-L210 HydrophobicContact CG1-CD1 3.98Å; V206-L210 HydrophobicContact CG1-CG 4.44Å; V206-L210 WeakPolarHBondContact O-CG 3.11Å; V206-L210 PolarHBondContact O-N 3.41Å
207A91.7Very high91Very high0 Ų044 Ų440%021%0.214CC..Hα-helixtrans-57.8-41.4176.200000111.6P203 L204 L210 G211 H212 L215 A216 L219P203-A207 PolarHBondContact O-N 2.66Å; L204-A207 PolarHBondContact O-N 3.39Å; A207-L210 PolarHBondContact O-N 2.92Å; A207-G211 PolarHBondContact O-N 3.42Å; A207-G211 VanDerWaalsContact O-N 3.09Å; A207-H212 PolarHBondContact O-N 3.06Å; A207-L215 HydrophobicContact CB-CB 4.34Å; A207-L215 HydrophobicContact CB-CD2 3.68Å; A207-L215 HydrophobicContact CB-CG 3.82Å; A207-A216 HydrophobicContact CB-CB 4.37Å; A207-L219 HydrophobicContact CB-CD1 4.08Å
208A91.8Very high91.2Very high0 Ų038.3 Ų38.30%019%0.187CC..Hα-helixtrans-67.7-43.5178.300000113L204 H205 V206 L210 G211 P236 T239 A240 L261L204-A208 VanDerWaalsContact O-CB 3.28Å; L204-A208 WeakPolarHBondContact O-CB 3.41Å; L204-A208 PolarHBondContact O-N 2.92Å; H205-A208 PolarHBondContact O-N 3.49Å; V206-A208 VanDerWaalsContact C-N 3.26Å; V206-A208 PolarHBondContact O-N 3.46Å; A208-L210 VanDerWaalsContact C-N 3.3Å; A208-L210 PolarHBondContact O-N 3.25Å; A208-G211 PolarHBondContact O-N 3.44Å; A208-G211 VanDerWaalsContact O-N 3.09Å; A208-P236 WeakPolarHBondContact CB-O 3.3Å; A208-T239 WeakPolarHBondContact CB-OG1 3.38Å; A208-A240 HydrophobicContact CB-CB 4.2Å; A208-L261 HydrophobicContact CB-CD2 3.84Å
209R88.9Confident91.7Very high109 Ų10933.1 Ų33.141%0.41116%0.16SC..Hα-helixtrans-63.3-34.3176.6179.1167.956.3-150.3-8.7113E199 E201 H205 V206 G211E199-R209 IonicContact OE2-NH1 2.68Å; E201-R209 VanDerWaalsContact CD-NH1 3.3Å; E201-R209 IonicContact OE1-CZ 3.78Å; E201-R209 IonicContact OE1-NH1 3.79Å; E201-R209 PolarHBondContact OE1-NH1 3.33Å; E201-R209 IonicContact OE1-NH2 3.79Å; E201-R209 IonicContact OE2-CZ 3.84Å; E201-R209 IonicContact OE2-NH1 3.96Å; E201-R209 PolarHBondContact OE2-NH1 2.99Å; E201-R209 IonicContact OE2-NH2 3.91Å; E201-R209 PolarHBondContact OE2-NH2 3.2Å; H205-R209 WeakPolarHBondContact O-CB 3.49Å; H205-R209 PolarHBondContact O-N 3.15Å; V206-R209 PolarHBondContact O-N 2.91Å; R209-G211 VanDerWaalsContact C-N 3.34Å
210L86.4Confident92.2Very high64 Ų6429.9 Ų29.934%0.33515%0.145SC..Hα-helixtrans-82.3-11.6176-63.7175.4000113R174 V206 A207 A208 H212R174-L210 HydrophobicContact CG-CD1 4.48Å; V206-L210 HydrophobicContact CG1-CD1 3.98Å; V206-L210 HydrophobicContact CG1-CG 4.44Å; V206-L210 WeakPolarHBondContact O-CG 3.11Å; V206-L210 PolarHBondContact O-N 3.41Å; A207-L210 PolarHBondContact O-N 2.92Å; A208-L210 VanDerWaalsContact C-N 3.3Å; A208-L210 PolarHBondContact O-N 3.25Å; L210-H212 VanDerWaalsContact C-N 3.34Å; L210-H212 WeakPolarHBondContact CB-CD2 3.17Å
211G87.2Confident92.3Very high11 Ų1135.2 Ų35.211%0.11316%0.162CC..THydrogen-bonded Turntrans71.124.4-177.800000114.2A207 A208 R209 V213A207-G211 PolarHBondContact O-N 3.42Å; A207-G211 VanDerWaalsContact O-N 3.09Å; A208-G211 PolarHBondContact O-N 3.44Å; A208-G211 VanDerWaalsContact O-N 3.09Å; R209-G211 VanDerWaalsContact C-N 3.34Å; G211-V213 PolarHBondContact O-N 3.36Å
212H89.6Confident92.4Very high76 Ų7640.1 Ų40.135%0.35218%0.18SC..  trans-85.390.9179.6-69.4-58.4000111.3A207 L210 E214 L215 A216A207-H212 PolarHBondContact O-N 3.06Å; L210-H212 VanDerWaalsContact C-N 3.34Å; L210-H212 WeakPolarHBondContact CB-CD2 3.17Å; H212-E214 PolarHBondContact O-N 3.46Å; H212-L215 HydrophobicContact CB-CB 3.81Å; H212-L215 HydrophobicContact CB-CD2 4.39Å; H212-L215 PolarHBondContact O-N 3.16Å; H212-A216 PolarHBondContact O-N 2.95Å
213V92.1Very high92.2Very high28 Ų2842.5 Ų42.517%0.1720%0.204CC..Hα-helixtrans-60-46.4-177.6-175.90000112.3G211 L215 A216 D217 R257 Q260 L261 L264G211-V213 PolarHBondContact O-N 3.36Å; V213-L215 VanDerWaalsContact C-N 3.33Å; V213-L215 PolarHBondContact O-N 3.21Å; V213-A216 PolarHBondContact O-N 3.15Å; V213-D217 PolarHBondContact O-N 3.31Å; V213-R257 HydrophobicContact CG2-CB 4.46Å; V213-Q260 HydrophobicContact CG1-CB 4.15Å; V213-Q260 HydrophobicContact CG2-CB 3.96Å; V213-L261 HydrophobicContact CG2-CB 4.3Å; V213-L264 HydrophobicContact CG1-CD1 4.25Å
214E92.9Very high92.2Very high138 Ų13842.7 Ų42.765%0.64521%0.206SC*.Hα-helixtrans-65.1-37.2-178.5-63.5177.5172.700112.3L179 H212 D217 L218L179-E214 HydrophobicContact CD1-CB 4.2Å; L179-E214 HydrophobicContact CD2-CB 4.12Å; H212-E214 PolarHBondContact O-N 3.46Å; E214-D217 PolarHBondContact O-N 2.98Å; E214-L218 WeakPolarHBondContact O-CB 3.31Å; E214-L218 PolarHBondContact O-N 2.71Å
215L93.1Very high92.1Very high11 Ų1145.3 Ų45.36%0.05822%0.224CC..Hα-helixtrans-66.9-43175.3176.461.9000111.1I178 L179 V182 A207 H212 V213 L218 L219I178-L215 HydrophobicContact CD1-CD2 3.7Å; I178-L215 HydrophobicContact CG1-CD2 4.39Å; L179-L215 HydrophobicContact CD2-CB 4.19Å; V182-L215 HydrophobicContact CB-CD1 4.05Å; V182-L215 HydrophobicContact CG1-CD1 3.97Å; V182-L215 HydrophobicContact CG2-CD1 3.71Å; A207-L215 HydrophobicContact CB-CB 4.34Å; A207-L215 HydrophobicContact CB-CD2 3.68Å; A207-L215 HydrophobicContact CB-CG 3.82Å; H212-L215 HydrophobicContact CB-CB 3.81Å; H212-L215 HydrophobicContact CB-CD2 4.39Å; H212-L215 PolarHBondContact O-N 3.16Å; V213-L215 VanDerWaalsContact C-N 3.33Å; V213-L215 PolarHBondContact O-N 3.21Å; L215-L218 PolarHBondContact O-N 2.88Å; L215-L219 HydrophobicContact CD1-CD1 4.33Å; L215-L219 HydrophobicContact CD1-CG 4.31Å; L215-L219 HydrophobicContact CG-CD1 4.17Å; L215-L219 VanDerWaalsContact O-CG 3.32Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 2.7Å
216A94.4Very high92.1Very high0 Ų045.9 Ų45.90%023%0.228CC..Hα-helixtrans-62.6-43.6176.500000111.6L204 A207 H212 V213 L218 L219 L220 L261L204-A216 HydrophobicContact CD1-CB 3.95Å; A207-A216 HydrophobicContact CB-CB 4.37Å; H212-A216 PolarHBondContact O-N 2.95Å; V213-A216 PolarHBondContact O-N 3.15Å; A216-L218 VanDerWaalsContact C-N 3.33Å; A216-L218 PolarHBondContact O-N 3.41Å; A216-L219 PolarHBondContact O-N 3.3Å; A216-L220 WeakPolarHBondContact O-CB 3.45Å; A216-L220 WeakPolarHBondContact O-CD1 3.34Å; A216-L220 VanDerWaalsContact O-CG 3.26Å; A216-L220 WeakPolarHBondContact O-CG 3.43Å; A216-L220 PolarHBondContact O-N 3.24Å; A216-L261 HydrophobicContact CB-CD1 3.39Å
217D95Very high92.1Very high47 Ų4750.4 Ų50.425%0.25125%0.248SC..Hα-helixtrans-57.8-46.1174.4-174.542.2000111.5V213 E214 L220 R221 L264V213-D217 PolarHBondContact O-N 3.31Å; E214-D217 PolarHBondContact O-N 2.98Å; D217-L220 PolarHBondContact O-N 2.98Å; D217-R221 VanDerWaalsContact O-CG 3.29Å; D217-R221 WeakPolarHBondContact O-CG 3.36Å; D217-R221 PolarHBondContact O-N 3.12Å; D217-R221 IonicContact OD1-NE 3.34Å; D217-R221 PolarHBondContact OD1-NE 3.35Å; D217-R221 IonicContact OD1-NH2 3.52Å; D217-R221 IonicContact OD2-CZ 3.57Å; D217-R221 IonicContact OD2-NE 2.95Å; D217-R221 PolarHBondContact OD2-NE 2.96Å; D217-R221 IonicContact OD2-NH2 3.37Å; D217-R221 PolarHBondContact OD2-NH2 3.35Å; D217-L264 HydrophobicContact CB-CD1 3.68Å
218L94.7Very high92.2Very high19 Ų1951.3 Ų51.310%0.09925%0.254CS..Hα-helixtrans-60-50.7177.4-169.4146.8000111.3L179 V182 E183 L186 E214 L215 A216 L220 R221 W222L179-L218 HydrophobicContact CD2-CD1 4.39Å; V182-L218 HydrophobicContact CB-CD2 4.48Å; V182-L218 HydrophobicContact CG1-CD2 3.67Å; E183-L218 HydrophobicContact CG-CD1 3.61Å; E183-L218 HydrophobicContact CG-CD2 4.5Å; L186-L218 HydrophobicContact CD1-CD2 3.69Å; E214-L218 WeakPolarHBondContact O-CB 3.31Å; E214-L218 PolarHBondContact O-N 2.71Å; L215-L218 PolarHBondContact O-N 2.88Å; A216-L218 VanDerWaalsContact C-N 3.33Å; A216-L218 PolarHBondContact O-N 3.41Å; L218-L220 VanDerWaalsContact C-N 3.29Å; L218-L220 PolarHBondContact O-N 2.94Å; L218-R221 PolarHBondContact O-N 3.01Å; L218-W222 VanDerWaalsContact O-CD1 3.22Å; L218-W222 PolarHBondContact O-N 2.9Å; L218-W222 VanDerWaalsContact O-N 3.1Å
219L94.7Very high92.2Very high1 Ų157.3 Ų57.31%0.00528%0.276CS..Hα-helixtrans-58-41.6178.3-70.4171.4000112.1L170 V182 L186 P203 L204 A207 L215 A216 W222 G223 A224L170-L219 HydrophobicContact CD2-CD2 3.73Å; V182-L219 HydrophobicContact CG1-CD2 4.08Å; L186-L219 HydrophobicContact CD1-CD2 4.44Å; P203-L219 HydrophobicContact CB-CD1 4.07Å; P203-L219 HydrophobicContact CB-CD2 4.35Å; L204-L219 HydrophobicContact CB-CD1 4.45Å; L204-L219 HydrophobicContact CD1-CB 4.27Å; L204-L219 HydrophobicContact CD1-CD1 4.37Å; A207-L219 HydrophobicContact CB-CD1 4.08Å; L215-L219 HydrophobicContact CD1-CD1 4.33Å; L215-L219 HydrophobicContact CD1-CG 4.31Å; L215-L219 HydrophobicContact CG-CD1 4.17Å; L215-L219 VanDerWaalsContact O-CG 3.32Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 2.7Å; A216-L219 PolarHBondContact O-N 3.3Å; L219-W222 CarbonylContact O-C 3.54Å; L219-W222 PolarHBondContact O-N 3.49Å; L219-G223 PolarHBondContact O-N 3.28Å; L219-A224 HydrophobicContact CB-CB 4.05Å; L219-A224 WeakPolarHBondContact O-CB 3.33Å; L219-A224 PolarHBondContact O-N 3.07Å
220L94.6Very high92.4Very high19 Ų1952.8 Ų52.810%0.09926%0.26CS..Hα-helixtrans-67.9-37.8179.1-71160.5000112.2L204 A216 D217 L218 W222 G223 A224 P226 L264 L265 V268L204-L220 HydrophobicContact CD1-CD1 4.29Å; L204-L220 HydrophobicContact CD1-CG 4.12Å; L204-L220 HydrophobicContact CD2-CD2 3.9Å; L204-L220 HydrophobicContact CD2-CG 4.39Å; A216-L220 WeakPolarHBondContact O-CB 3.45Å; A216-L220 WeakPolarHBondContact O-CD1 3.34Å; A216-L220 VanDerWaalsContact O-CG 3.26Å; A216-L220 WeakPolarHBondContact O-CG 3.43Å; A216-L220 PolarHBondContact O-N 3.24Å; D217-L220 PolarHBondContact O-N 2.98Å; L218-L220 VanDerWaalsContact C-N 3.29Å; L218-L220 PolarHBondContact O-N 2.94Å; L220-W222 PolarHBondContact O-N 3.02Å; L220-G223 PolarHBondContact O-N 3.25Å; L220-A224 HydrophobicContact CD2-CB 4.44Å; L220-P226 HydrophobicContact CD2-CB 4.34Å; L220-L264 HydrophobicContact CD1-CD2 3.12Å; L220-L264 HydrophobicContact CG-CD2 4.47Å; L220-L265 HydrophobicContact CD1-CD2 3.98Å; L220-V268 HydrophobicContact CD1-CG2 4.29Å; L220-V268 HydrophobicContact CD2-CG1 4.02Å
221R94Very high92.6Very high193 Ų19352.1 Ų52.173%0.72826%0.261SS*.Hα-helixtrans-63.2-31.1172.8-71.2173.8-171.6-156.37.1112.9D217 L218 G223D217-R221 VanDerWaalsContact O-CG 3.29Å; D217-R221 WeakPolarHBondContact O-CG 3.36Å; D217-R221 PolarHBondContact O-N 3.12Å; D217-R221 IonicContact OD1-NE 3.34Å; D217-R221 PolarHBondContact OD1-NE 3.35Å; D217-R221 IonicContact OD1-NH2 3.52Å; D217-R221 IonicContact OD2-CZ 3.57Å; D217-R221 IonicContact OD2-NE 2.95Å; D217-R221 PolarHBondContact OD2-NE 2.96Å; D217-R221 IonicContact OD2-NH2 3.37Å; D217-R221 PolarHBondContact OD2-NH2 3.35Å; L218-R221 PolarHBondContact O-N 3.01Å; R221-G223 PolarHBondContact O-N 3.01Å
222W92.5Very high92.7Very high112 Ų11256.7 Ų56.742%0.42428%0.28SS..THydrogen-bonded Turntrans-83.95.7174.4-77.690.1000113.5L186 K187 V192 L218 L219 L220L186-W222 HydrophobicContact CB-CD2 4.01Å; L186-W222 HydrophobicContact CB-CE3 4Å; L186-W222 HydrophobicContact CB-CH2 4.38Å; L186-W222 HydrophobicContact CB-CZ2 4.38Å; L186-W222 HydrophobicContact CB-CZ3 4.19Å; L186-W222 HydrophobicContact CD1-CB 3.91Å; L186-W222 HydrophobicContact CD1-CD2 3.89Å; L186-W222 HydrophobicContact CD1-CG 3.56Å; K187-W222 HydrophobicContact CG-CH2 3.9Å; K187-W222 HydrophobicContact CG-CZ2 4.23Å; V192-W222 HydrophobicContact CG2-CB 4.29Å; L218-W222 VanDerWaalsContact O-CD1 3.22Å; L218-W222 PolarHBondContact O-N 2.9Å; L218-W222 VanDerWaalsContact O-N 3.1Å; L219-W222 CarbonylContact O-C 3.54Å; L219-W222 PolarHBondContact O-N 3.49Å; L220-W222 PolarHBondContact O-N 3.02Å
223G91.1Very high92.8Very high50 Ų5053.6 Ų53.652%0.51527%0.268SS..THydrogen-bonded Turntrans93.821171.900000115.3L219 L220 R221L219-G223 PolarHBondContact O-N 3.28Å; L220-G223 PolarHBondContact O-N 3.25Å; R221-G223 PolarHBondContact O-N 3.01Å
224A93.5Very high92.8Very high7 Ų753.7 Ų53.76%0.05827%0.265CS..  trans-59.3136.417400000111.6V192 D193 L204 L219 L220 P226V192-A224 HydrophobicContact CG1-CB 3.53Å; D193-A224 WeakPolarHBondContact OD1-CA 3.39Å; L204-A224 HydrophobicContact CD2-CB 4.25Å; L219-A224 HydrophobicContact CB-CB 4.05Å; L219-A224 WeakPolarHBondContact O-CB 3.33Å; L219-A224 PolarHBondContact O-N 3.07Å; L220-A224 HydrophobicContact CD2-CB 4.44Å; A224-P226 WeakPolarHBondContact O-CD 3.43Å
225C92.4Very high92.9Very high56 Ų5647.4 Ų47.438%0.37824%0.236SC..  trans-83.5119.3179.5-68.70000111.3D193 H227 V228D193-C225 PolarHBondContact OD1-N 3.17Å; D193-C225 PolarHBondContact OD2-N 2.89Å; D193-C225 PolarHBondContact OD2-SG 3.37Å; C225-H227 PolarHBondContact O-N 3.2Å; C225-V228 HydrophobicContact CB-CG2 3.65Å
226P92.8Very high92.9Very high13 Ų1346.9 Ų46.98%0.08423%0.234CC..THydrogen-bonded Turntrans-76.9-4.8-17932.3-36.9000114L220 A224 P236 L265 V268 A270L220-P226 HydrophobicContact CD2-CB 4.34Å; A224-P226 WeakPolarHBondContact O-CD 3.43Å; P226-P236 WeakPolarHBondContact O-CD 3.28Å; P226-L265 HydrophobicContact CB-CD2 4.35Å; P226-V268 HydrophobicContact CG-CG1 4.31Å; P226-A270 HydrophobicContact CB-CB 4.01Å
227H91.5Very high92.8Very high105 Ų10547 Ų4749%0.48623%0.234SC..THydrogen-bonded Turntrans-101.3-2.3-175.2-58.7-68.1000114.3C225 R229 G269C225-H227 PolarHBondContact O-N 3.2Å; H227-R229 PolarHBondContact O-N 3.38Å; H227-G269 PolarHBondContact CE1-O 3.24Å; H227-G269 PolarHBondContact NE2-O 3.09Å
228V92.3Very high92.7Very high19 Ų1944.7 Ų44.712%0.11522%0.222CC..  trans-62.6139.2-177.7-176.70000109.3T202 H205 C225 P236T202-V228 HydrophobicContact CG2-CB 3.95Å; T202-V228 HydrophobicContact CG2-CG1 3.53Å; T202-V228 HydrophobicContact CG2-CG2 4.27Å; H205-V228 PolarHBondContact CE1-O 3.04Å; H205-V228 VanDerWaalsContact CE1-O 3.32Å; H205-V228 PolarHBondContact NE2-O 3.37Å; C225-V228 HydrophobicContact CB-CG2 3.65Å; V228-P236 WeakPolarHBondContact O-CD 3.34Å
229R92.6Very high92.6Very high125 Ų12544.5 Ų44.547%0.47222%0.221SC..  trans-109.3134.6175.9-66.9-177.1-175.6-172.6-1109.7H227 W234 T235H227-R229 PolarHBondContact O-N 3.38Å; R229-W234 VanDerWaalsContact CA-O 3.25Å; R229-W234 WeakPolarHBondContact CA-O 3.41Å; R229-T235 HydrophobicContact CG-CG2 3.97Å
230N92.3Very high92.4Very high14 Ų1444.5 Ų44.58%0.07522%0.221CC..  trans-77.1-177.6171.581.3-10.3000111.2E199 E201 E232 G233 W234E199-N230 WeakPolarHBondContact O-CB 3.4Å; E201-N230 HydrophobicContact CG-CB 4.11Å; N230-E232 PolarHBondContact O-N 3.39Å; N230-E232 PolarHBondContact OD1-N 3.17Å; N230-E232 VanDerWaalsContact OD1-N 3.15Å; N230-G233 WeakPolarHBondContact O-CA 3.44Å; N230-G233 PolarHBondContact O-N 3.45Å; N230-G233 PolarHBondContact OD1-N 2.99Å; N230-G233 VanDerWaalsContact OD1-N 3.11Å; N230-W234 PolarHBondContact N-O 3.37Å; N230-W234 WeakPolarHBondContact OD1-CB 3.34Å; N230-W234 PolarHBondContact OD1-N 3.04Å
231S91.3Very high92.1Very high50 Ų5043.6 Ų43.635%0.3522%0.217SC..THydrogen-bonded Turntrans-60.4-27.6-17664.70000113.8E199 Q277E199-S231 WeakPolarHBondContact O-CB 3.34Å; E199-S231 PolarHBondContact O-N 3.25Å; E199-S231 PolarHBondContact O-OG 3.17Å; S231-Q277 PolarHBondContact O-NE2 3.49Å
232E88.9Confident91.8Very high108 Ų10836.3 Ų36.351%0.50519%0.192SC..THydrogen-bonded Turntrans-933.7176.3-65.4-177.6177.400112.9N230 W234 Q277N230-E232 PolarHBondContact O-N 3.39Å; N230-E232 PolarHBondContact OD1-N 3.17Å; N230-E232 VanDerWaalsContact OD1-N 3.15Å; E232-W234 PolarHBondContact OE2-NE1 3.46Å; E232-Q277 WeakPolarHBondContact O-CB 3.44Å; E232-Q277 WeakPolarHBondContact O-CG 3.4Å; E232-Q277 PolarHBondContact O-N 3.17Å; E232-Q277 VanDerWaalsContact O-N 3.14Å
233G91.7Very high91.1Very high10 Ų1031.7 Ų31.710%0.10318%0.178CC..  trans81.211.1179.100000115.2N230 N276N230-G233 WeakPolarHBondContact O-CA 3.44Å; N230-G233 PolarHBondContact O-N 3.45Å; N230-G233 PolarHBondContact OD1-N 2.99Å; N230-G233 VanDerWaalsContact OD1-N 3.11Å; G233-N276 WeakPolarHBondContact O-CA 3.34Å
234W93.2Very high90.1Very high31 Ų3137.8 Ų37.812%0.11719%0.185CC..  trans-72.7138.6177.2-65.169.2000110.9H205 R229 N230 E232 L238 T239 D242 N276 L285H205-W234 PolarHBondContact NE2-O 3.14Å; R229-W234 VanDerWaalsContact CA-O 3.25Å; R229-W234 WeakPolarHBondContact CA-O 3.41Å; N230-W234 PolarHBondContact N-O 3.37Å; N230-W234 WeakPolarHBondContact OD1-CB 3.34Å; N230-W234 PolarHBondContact OD1-N 3.04Å; E232-W234 PolarHBondContact OE2-NE1 3.46Å; W234-L238 HydrophobicContact CD2-CB 4.43Å; W234-L238 HydrophobicContact CE3-CB 3.58Å; W234-L238 HydrophobicContact CZ3-CB 4.14Å; W234-T239 HydrophobicContact CB-CG2 4.03Å; W234-T239 HydrophobicContact CE3-CG2 4.04Å; W234-D242 HydrophobicContact CH2-CB 4.13Å; W234-D242 HydrophobicContact CZ3-CB 3.76Å; W234-N276 HydrophobicContact CG-CB 4.49Å; W234-L285 HydrophobicContact CE3-CD1 4.43Å; W234-L285 HydrophobicContact CH2-CD1 3.95Å; W234-L285 HydrophobicContact CH2-CD2 4.21Å; W234-L285 HydrophobicContact CZ3-CD1 3.5Å; W234-L285 VanDerWaalsContact CZ3-CD1 3.5Å
235T93.9Very high88.7Confident6 Ų639.6 Ų39.64%0.03720%0.197CC..  trans-94.7161.7166.460.40000110.1R229 L237 L238 T239 A274R229-T235 HydrophobicContact CG-CG2 3.97Å; T235-L237 PolarHBondContact O-N 3.36Å; T235-L237 VanDerWaalsContact O-N 3.12Å; T235-L238 HydrophobicContact CG2-CD1 4.49Å; T235-L238 WeakPolarHBondContact O-CB 3.38Å; T235-L238 PolarHBondContact O-N 2.67Å; T235-L238 WeakPolarHBondContact OG1-CG 3.32Å; T235-L238 PolarHBondContact OG1-N 2.66Å; T235-T239 PolarHBondContact O-N 3.03Å; T235-A274 HydrophobicContact CG2-CB 3.77Å
236P93.1Very high87.3Confident0 Ų046.5 Ų46.50%022%0.223CC..Hα-helixtrans-56.8-29.4173.9-23.932.8000113.1L204 H205 A208 P226 V228 T239 A240 L265L204-P236 HydrophobicContact CB-CG 4.42Å; L204-P236 HydrophobicContact CD2-CB 3.98Å; L204-P236 HydrophobicContact CD2-CG 3.83Å; L204-P236 HydrophobicContact CG-CB 3.89Å; L204-P236 HydrophobicContact CG-CG 4.06Å; H205-P236 WeakPolarHBondContact NE2-CD 3.33Å; A208-P236 WeakPolarHBondContact CB-O 3.3Å; P226-P236 WeakPolarHBondContact O-CD 3.28Å; V228-P236 WeakPolarHBondContact O-CD 3.34Å; P236-T239 WeakPolarHBondContact CA-OG1 3Å; P236-T239 PolarHBondContact O-OG1 3.23Å; P236-A240 WeakPolarHBondContact O-CB 3.34Å; P236-A240 PolarHBondContact O-N 3Å; P236-L265 HydrophobicContact CB-CD1 4.48Å; P236-L265 HydrophobicContact CB-CD2 4.41Å
237L93.8Very high85.8Confident1 Ų147.8 Ų47.81%0.00523%0.233CC..Hα-helixtrans-73.1-37.3176.1-170.8148000111.9T235 C241 L265 L266 A270 P282T235-L237 PolarHBondContact O-N 3.36Å; T235-L237 VanDerWaalsContact O-N 3.12Å; L237-C241 PolarHBondContact O-N 3.18Å; L237-C241 VanDerWaalsContact O-N 3.14Å; L237-C241 PolarHBondContact O-SG 2.96Å; L237-L265 HydrophobicContact CB-CD1 4.17Å; L237-L265 HydrophobicContact CD1-CB 4.2Å; L237-L266 HydrophobicContact CD1-CD2 3.57Å; L237-L266 HydrophobicContact CD1-CG 3.8Å; L237-A270 HydrophobicContact CB-CB 4.47Å; L237-A270 HydrophobicContact CD1-CB 3.7Å; L237-P282 HydrophobicContact CD2-CB 3.33Å; L237-P282 HydrophobicContact CD2-CG 3.11Å
238L92.9Very high84.4Confident0 Ų047.8 Ų47.80%024%0.242CC..Hα-helixtrans-64.9-43.5172.3-77164000111.2W234 T235 A240 C241 D242 N276 P282 L285W234-L238 HydrophobicContact CD2-CB 4.43Å; W234-L238 HydrophobicContact CE3-CB 3.58Å; W234-L238 HydrophobicContact CZ3-CB 4.14Å; T235-L238 HydrophobicContact CG2-CD1 4.49Å; T235-L238 WeakPolarHBondContact O-CB 3.38Å; T235-L238 PolarHBondContact O-N 2.67Å; T235-L238 WeakPolarHBondContact OG1-CG 3.32Å; T235-L238 PolarHBondContact OG1-N 2.66Å; L238-A240 VanDerWaalsContact C-N 3.34Å; L238-A240 PolarHBondContact O-N 2.93Å; L238-C241 PolarHBondContact O-N 3.49Å; L238-C241 VanDerWaalsContact O-N 3.14Å; L238-D242 PolarHBondContact O-N 2.72Å; L238-D242 VanDerWaalsContact O-N 3.1Å; L238-N276 HydrophobicContact CD1-CB 4.02Å; L238-P282 HydrophobicContact CD2-CB 4.5Å; L238-P282 HydrophobicContact CD2-CG 3.87Å; L238-P282 HydrophobicContact CG-CG 4.2Å; L238-L285 HydrophobicContact CB-CD1 4.26Å; L238-L285 HydrophobicContact CD2-CD1 3.64Å; L238-L285 WeakPolarHBondContact O-CD1 3.43Å
239T91.3Very high83Confident14 Ų1452.8 Ų52.89%0.08627%0.272CS..Hα-helixtrans-66.2-36.2178.160.60000112.2A208 W234 T235 P236 C241 D242A208-T239 WeakPolarHBondContact CB-OG1 3.38Å; W234-T239 HydrophobicContact CB-CG2 4.03Å; W234-T239 HydrophobicContact CE3-CG2 4.04Å; T235-T239 PolarHBondContact O-N 3.03Å; P236-T239 WeakPolarHBondContact CA-OG1 3Å; P236-T239 PolarHBondContact O-OG1 3.23Å; T239-C241 VanDerWaalsContact C-N 3.29Å; T239-C241 PolarHBondContact O-N 3.27Å; T239-D242 PolarHBondContact O-N 2.86Å
240A90.5Very high82.1Confident1 Ų150.9 Ų50.91%0.00827%0.272CS..Hα-helixtrans-60.3-37.8171.600000112.5A208 P236 L238 L261 L265A208-A240 HydrophobicContact CB-CB 4.2Å; P236-A240 WeakPolarHBondContact O-CB 3.34Å; P236-A240 PolarHBondContact O-N 3Å; L238-A240 VanDerWaalsContact C-N 3.34Å; L238-A240 PolarHBondContact O-N 2.93Å; A240-L261 HydrophobicContact CB-CD2 3.43Å; A240-L261 VanDerWaalsContact CB-CD2 3.43Å; A240-L261 HydrophobicContact CB-CG 3.97Å; A240-L265 HydrophobicContact CB-CD1 4.2Å
241C88.1Confident81.3Confident1 Ų151 Ų511%0.00728%0.275CS..Hα-helixtrans-77.5-20.5179.4-66.50000113.6L237 L238 T239 C262 L285 H289L237-C241 PolarHBondContact O-N 3.18Å; L237-C241 VanDerWaalsContact O-N 3.14Å; L237-C241 PolarHBondContact O-SG 2.96Å; L238-C241 PolarHBondContact O-N 3.49Å; L238-C241 VanDerWaalsContact O-N 3.14Å; T239-C241 VanDerWaalsContact C-N 3.29Å; T239-C241 PolarHBondContact O-N 3.27Å; C241-C262 VanDerWaalsContact SG-SG 3.7Å; C241-L285 HydrophobicContact CB-CB 3.88Å; C241-L285 HydrophobicContact CB-CD1 4.33Å; C241-H289 PolarHBondContact O-CD2 3.41Å
242D87.3Confident80.7Confident40 Ų4055 Ų5521%0.21429%0.288CS..THydrogen-bonded Turntrans-88.6-0.4177.1-167.452.7000113.8W234 L238 T239 R244 L285 H289W234-D242 HydrophobicContact CH2-CB 4.13Å; W234-D242 HydrophobicContact CZ3-CB 3.76Å; L238-D242 PolarHBondContact O-N 2.72Å; L238-D242 VanDerWaalsContact O-N 3.1Å; T239-D242 PolarHBondContact O-N 2.86Å; D242-R244 VanDerWaalsContact O-CG 3.31Å; D242-R244 WeakPolarHBondContact O-CG 3.39Å; D242-R244 PolarHBondContact O-N 3.17Å; D242-L285 HydrophobicContact CB-CD1 4.31Å; D242-H289 IonicContact OD1-CD2 3.93Å; D242-H289 IonicContact OD1-CE1 3.55Å; D242-H289 IonicContact OD1-NE2 2.88Å; D242-H289 PolarHBondContact OD1-NE2 3.12Å
243A78.1Confident80.4Confident14 Ų1451.5 Ų51.512%0.11628%0.277CS..  trans-54.9108.5-178.600000111.4C258A243-C258 VanDerWaalsContact CB-SG 3.57Å
244R70.5Confident80Confident179 Ų17952 Ų5268%0.67528%0.279SS*.  trans-82.3127.2-174.9-62.3-168.5-71.8-115.24.6110.9D242 Q246D242-R244 VanDerWaalsContact O-CG 3.31Å; D242-R244 WeakPolarHBondContact O-CG 3.39Å; D242-R244 PolarHBondContact O-N 3.17Å; R244-Q246 PolarHBondContact O-N 2.96Å
245C64.7Low79.4Confident44 Ų4451.9 Ų51.930%0.29728%0.284SS..  trans-69.6110.7166.5-58.10000109.4S247 A251C245-S247 VanDerWaalsContact C-N 3.32Å; C245-A251 HydrophobicContact CB-CB 4.33Å
246Q62.2Low79.1Confident201 Ų20155.5 Ų55.594%0.93930%0.303SS*.SBendtrans-77.9-20.1176.2-63.8179.111.600112.4R244R244-Q246 PolarHBondContact O-N 2.96Å
247S61.4Low78.9Confident41 Ų4160.7 Ų60.729%0.28732%0.323SS..SBendtrans-137.6142.3-179.3171.60000110.8C245 V249 D250 A251C245-S247 VanDerWaalsContact C-N 3.32Å; S247-V249 VanDerWaalsContact C-N 3.26Å; S247-V249 PolarHBondContact O-N 3.25Å; S247-V249 PolarHBondContact OG-N 3.11Å; S247-D250 PolarHBondContact O-N 3.32Å; S247-A251 PolarHBondContact O-N 2.9Å
248P62.4Low78.7Confident104 Ų10460.8 Ų60.868%0.67532%0.324SS*.SBendtrans-67.7-24.8176.228-34.5000113D250 A251P248-D250 VanDerWaalsContact C-N 3.32Å; P248-A251 WeakPolarHBondContact O-CB 3.45Å; P248-A251 PolarHBondContact O-N 2.91Å
249V64.1Low78.6Confident124 Ų12464.2 Ų64.275%0.75234%0.339SS*.THydrogen-bonded Turntrans-70.1-32.4-179.2-173.50000111.3S247S247-V249 VanDerWaalsContact C-N 3.26Å; S247-V249 PolarHBondContact O-N 3.25Å; S247-V249 PolarHBondContact OG-N 3.11Å
250D73.6Confident78.7Confident86 Ų8668.3 Ų68.346%0.4636%0.357SS..THydrogen-bonded Turntrans-96.85.8179.6-59.5-51.5000112.8S247 P248 E252 A253 T254S247-D250 PolarHBondContact O-N 3.32Å; P248-D250 VanDerWaalsContact C-N 3.32Å; D250-E252 PolarHBondContact O-N 3.14Å; D250-A253 PolarHBondContact O-N 2.8Å; D250-T254 VanDerWaalsContact O-CB 3.29Å; D250-T254 WeakPolarHBondContact O-CB 3.27Å; D250-T254 PolarHBondContact O-N 3.09Å; D250-T254 PolarHBondContact O-OG1 3.25Å
251A74.4Confident78.8Confident17 Ų1768.3 Ų68.314%0.1436%0.357CS..Hα-helixtrans-64.3-41.9-173.600000112.3C245 S247 P248 T254 A255C245-A251 HydrophobicContact CB-CB 4.33Å; S247-A251 PolarHBondContact O-N 2.9Å; P248-A251 WeakPolarHBondContact O-CB 3.45Å; P248-A251 PolarHBondContact O-N 2.91Å; A251-T254 PolarHBondContact O-N 3.41Å; A251-A255 WeakPolarHBondContact O-CB 3.5Å; A251-A255 PolarHBondContact O-N 3.28Å
252E77.8Confident79Confident132 Ų13268.3 Ų68.362%0.61736%0.357SS*.Hα-helixtrans-68-45177.4-172.9179-179.600111.5D250 T254 A255 N256D250-E252 PolarHBondContact O-N 3.14Å; E252-T254 VanDerWaalsContact C-N 3.29Å; E252-T254 PolarHBondContact O-N 3.27Å; E252-A255 PolarHBondContact O-N 3.29Å; E252-N256 WeakPolarHBondContact O-CB 3.37Å; E252-N256 VanDerWaalsContact O-CG 3.27Å; E252-N256 PolarHBondContact O-N 3.02Å; E252-N256 PolarHBondContact O-ND2 3.34Å
253A83.1Confident79.3Confident35 Ų3568.6 Ų68.629%0.28936%0.362SS..Hα-helixtrans-61.3-39.817600000111.5D250 N256 R257D250-A253 PolarHBondContact O-N 2.8Å; A253-N256 PolarHBondContact O-N 3.38Å; A253-R257 VanDerWaalsContact O-CG 3.32Å; A253-R257 WeakPolarHBondContact O-CG 3.32Å; A253-R257 PolarHBondContact O-N 3.4Å
254T82.9Confident80.1Confident22 Ų2269.2 Ų69.214%0.13536%0.363CS..Hα-helixtrans-66.2-47.8176-55.40000110.7D250 A251 E252 N256 R257 C258D250-T254 VanDerWaalsContact O-CB 3.29Å; D250-T254 WeakPolarHBondContact O-CB 3.27Å; D250-T254 PolarHBondContact O-N 3.09Å; D250-T254 PolarHBondContact O-OG1 3.25Å; A251-T254 PolarHBondContact O-N 3.41Å; E252-T254 VanDerWaalsContact C-N 3.29Å; E252-T254 PolarHBondContact O-N 3.27Å; T254-N256 VanDerWaalsContact C-N 3.28Å; T254-N256 PolarHBondContact O-N 3.21Å; T254-R257 PolarHBondContact O-N 3.28Å; T254-R257 VanDerWaalsContact O-N 3.15Å; T254-C258 PolarHBondContact O-N 2.94Å; T254-C258 PolarHBondContact O-SG 2.97Å
255A82.3Confident81.2Confident28 Ų2860.8 Ų60.823%0.23133%0.331CS..Hα-helixtrans-58.4-39.8175.800000112.3A251 E252 C258 F259A251-A255 WeakPolarHBondContact O-CB 3.5Å; A251-A255 PolarHBondContact O-N 3.28Å; E252-A255 PolarHBondContact O-N 3.29Å; A255-C258 PolarHBondContact O-N 2.69Å; A255-F259 WeakPolarHBondContact O-CB 3.41Å; A255-F259 PolarHBondContact O-N 3.36Å
256N86.7Confident82.6Confident81 Ų8160.2 Ų60.243%0.43333%0.325SS..Hα-helixtrans-66-43175.9-73.9-24.7000112E252 A253 T254 F259 Q260E252-N256 WeakPolarHBondContact O-CB 3.37Å; E252-N256 VanDerWaalsContact O-CG 3.27Å; E252-N256 PolarHBondContact O-N 3.02Å; E252-N256 PolarHBondContact O-ND2 3.34Å; A253-N256 PolarHBondContact O-N 3.38Å; T254-N256 VanDerWaalsContact C-N 3.28Å; T254-N256 PolarHBondContact O-N 3.21Å; N256-F259 PolarHBondContact O-N 3.09Å; N256-Q260 WeakPolarHBondContact O-CB 3.19Å; N256-Q260 VanDerWaalsContact O-CG 3.31Å; N256-Q260 WeakPolarHBondContact O-CG 3.37Å; N256-Q260 PolarHBondContact O-N 3.46Å
257R88.9Confident84.1Confident109 Ų10955.2 Ų55.241%0.41131%0.313SS..Hα-helixtrans-63.2-43.9173.8-70.5179.2-153.1115.2-0.7111.5V213 A253 T254 F259 Q260 L261V213-R257 HydrophobicContact CG2-CB 4.46Å; A253-R257 VanDerWaalsContact O-CG 3.32Å; A253-R257 WeakPolarHBondContact O-CG 3.32Å; A253-R257 PolarHBondContact O-N 3.4Å; T254-R257 PolarHBondContact O-N 3.28Å; T254-R257 VanDerWaalsContact O-N 3.15Å; R257-F259 VanDerWaalsContact C-N 3.33Å; R257-F259 PolarHBondContact O-N 3.33Å; R257-Q260 PolarHBondContact O-N 3.47Å; R257-L261 VanDerWaalsContact O-CB 3.25Å; R257-L261 WeakPolarHBondContact O-CB 3.31Å; R257-L261 PolarHBondContact O-N 2.87Å
258C88.9Confident85.5Confident4 Ų456.8 Ų56.83%0.02732%0.32CS..Hα-helixtrans-59.5-44.9175.7-63.20000111.1A243 T254 A255 L261 C262 V294A243-C258 VanDerWaalsContact CB-SG 3.57Å; T254-C258 PolarHBondContact O-N 2.94Å; T254-C258 PolarHBondContact O-SG 2.97Å; A255-C258 PolarHBondContact O-N 2.69Å; C258-L261 PolarHBondContact O-N 3.48Å; C258-C262 VanDerWaalsContact O-CB 3.28Å; C258-C262 WeakPolarHBondContact O-CB 3.23Å; C258-C262 PolarHBondContact O-N 3.45Å; C258-C262 PolarHBondContact O-SG 2.86Å; C258-V294 HydrophobicContact CB-CG2 4.42Å
259F91.2Very high86.8Confident71 Ų7153.9 Ų53.931%0.31131%0.31SS..Hα-helixtrans-59.9-50.7175.8174.6-93.6000112A255 N256 R257 L261 C262 S263 A293 V294 L297A255-F259 WeakPolarHBondContact O-CB 3.41Å; A255-F259 PolarHBondContact O-N 3.36Å; N256-F259 PolarHBondContact O-N 3.09Å; R257-F259 VanDerWaalsContact C-N 3.33Å; R257-F259 PolarHBondContact O-N 3.33Å; F259-L261 PolarHBondContact O-N 3.22Å; F259-C262 PolarHBondContact O-N 2.85Å; F259-S263 VanDerWaalsContact O-CB 3.31Å; F259-S263 WeakPolarHBondContact O-CB 3.41Å; F259-S263 PolarHBondContact O-N 3.25Å; F259-S263 PolarHBondContact O-OG 3.09Å; F259-A293 HydrophobicContact CD2-CB 3.42Å; F259-A293 VanDerWaalsContact CD2-CB 3.42Å; F259-A293 HydrophobicContact CE2-CB 3.85Å; F259-A293 HydrophobicContact CG-CB 4.18Å; F259-V294 HydrophobicContact CB-CG2 4.24Å; F259-L297 HydrophobicContact CD2-CD1 3.39Å; F259-L297 HydrophobicContact CD2-CG 4.01Å; F259-L297 HydrophobicContact CE2-CD1 3.18Å; F259-L297 HydrophobicContact CE2-CD2 3.93Å; F259-L297 HydrophobicContact CE2-CG 3.46Å; F259-L297 VanDerWaalsContact CE2-CG 3.46Å; F259-L297 HydrophobicContact CG-CD1 4.28Å; F259-L297 HydrophobicContact CZ-CD1 3.87Å; F259-L297 HydrophobicContact CZ-CD2 4.28Å; F259-L297 HydrophobicContact CZ-CG 4.26Å
260Q92.7Very high88.2Confident100 Ų10048.4 Ų48.447%0.46728%0.277SS..Hα-helixtrans-59.4-47.3178.7-73.3173.2-1.300111.2V213 N256 R257 S263 L264V213-Q260 HydrophobicContact CG1-CB 4.15Å; V213-Q260 HydrophobicContact CG2-CB 3.96Å; N256-Q260 WeakPolarHBondContact O-CB 3.19Å; N256-Q260 VanDerWaalsContact O-CG 3.31Å; N256-Q260 WeakPolarHBondContact O-CG 3.37Å; N256-Q260 PolarHBondContact O-N 3.46Å; R257-Q260 PolarHBondContact O-N 3.47Å; Q260-S263 PolarHBondContact O-N 3.04Å; Q260-S263 PolarHBondContact O-OG 3.49Å; Q260-L264 WeakPolarHBondContact O-CB 3.32Å; Q260-L264 PolarHBondContact O-N 3.15Å
261L92.8Very high89Confident2 Ų247.9 Ų47.91%0.0127%0.274CS..Hα-helixtrans-63.4-45.4179.1-175.765.7000112.5A208 V213 A216 A240 R257 C258 F259 S263 L264 L265A208-L261 HydrophobicContact CB-CD2 3.84Å; V213-L261 HydrophobicContact CG2-CB 4.3Å; A216-L261 HydrophobicContact CB-CD1 3.39Å; A240-L261 HydrophobicContact CB-CD2 3.43Å; A240-L261 VanDerWaalsContact CB-CD2 3.43Å; A240-L261 HydrophobicContact CB-CG 3.97Å; R257-L261 VanDerWaalsContact O-CB 3.25Å; R257-L261 WeakPolarHBondContact O-CB 3.31Å; R257-L261 PolarHBondContact O-N 2.87Å; C258-L261 PolarHBondContact O-N 3.48Å; F259-L261 PolarHBondContact O-N 3.22Å; L261-S263 VanDerWaalsContact C-N 3.35Å; L261-L264 PolarHBondContact O-N 3.09Å; L261-L265 HydrophobicContact CD1-CD1 4.44Å; L261-L265 HydrophobicContact CG-CD1 4.15Å; L261-L265 WeakPolarHBondContact O-CG 3.36Å; L261-L265 PolarHBondContact O-N 3.19Å
262C93.4Very high89.8Confident1 Ų147.6 Ų47.61%0.00727%0.272CS..Hα-helixtrans-62.9-42.6176.2-68.70000111.2C241 C258 F259 L264 L265 L266 V294C241-C262 VanDerWaalsContact SG-SG 3.7Å; C258-C262 VanDerWaalsContact O-CB 3.28Å; C258-C262 WeakPolarHBondContact O-CB 3.23Å; C258-C262 PolarHBondContact O-N 3.45Å; C258-C262 PolarHBondContact O-SG 2.86Å; F259-C262 PolarHBondContact O-N 2.85Å; C262-L264 VanDerWaalsContact C-N 3.28Å; C262-L264 PolarHBondContact O-N 3.1Å; C262-L265 PolarHBondContact O-N 3.14Å; C262-L266 VanDerWaalsContact O-CB 3.31Å; C262-L266 WeakPolarHBondContact O-CB 3.25Å; C262-L266 WeakPolarHBondContact O-CG 3.3Å; C262-L266 PolarHBondContact O-N 3.43Å; C262-V294 HydrophobicContact CB-CG1 4.34Å
263S94.3Very high90.3Very high46 Ų4643.8 Ų43.832%0.32226%0.256SS..Hα-helixtrans-61.3-39.317775.50000111.7F259 Q260 L261 S267F259-S263 VanDerWaalsContact O-CB 3.31Å; F259-S263 WeakPolarHBondContact O-CB 3.41Å; F259-S263 PolarHBondContact O-N 3.25Å; F259-S263 PolarHBondContact O-OG 3.09Å; Q260-S263 PolarHBondContact O-N 3.04Å; Q260-S263 PolarHBondContact O-OG 3.49Å; L261-S263 VanDerWaalsContact C-N 3.35Å; S263-S267 WeakPolarHBondContact O-CB 3.43Å; S263-S267 PolarHBondContact O-N 3.47Å
264L94.7Very high90.7Very high27 Ų2742.2 Ų42.214%0.14124%0.243CC..Hα-helixtrans-68.3-49.5178.7-165153.3000110.7V213 D217 L220 Q260 L261 C262 L266 S267 V268V213-L264 HydrophobicContact CG1-CD1 4.25Å; D217-L264 HydrophobicContact CB-CD1 3.68Å; L220-L264 HydrophobicContact CD1-CD2 3.12Å; L220-L264 HydrophobicContact CG-CD2 4.47Å; Q260-L264 WeakPolarHBondContact O-CB 3.32Å; Q260-L264 PolarHBondContact O-N 3.15Å; L261-L264 PolarHBondContact O-N 3.09Å; C262-L264 VanDerWaalsContact C-N 3.28Å; C262-L264 PolarHBondContact O-N 3.1Å; L264-L266 VanDerWaalsContact C-N 3.35Å; L264-L266 PolarHBondContact O-N 3.14Å; L264-S267 PolarHBondContact O-N 3.29Å; L264-S267 VanDerWaalsContact O-N 3.14Å; L264-S267 PolarHBondContact O-OG 3.4Å; L264-V268 HydrophobicContact CD2-CG2 4.49Å; L264-V268 WeakPolarHBondContact O-CG2 3.43Å; L264-V268 PolarHBondContact O-N 3.12Å; L264-V268 VanDerWaalsContact O-N 3.15Å
265L93.6Very high91.1Very high1 Ų142.3 Ų42.31%0.00525%0.246CC..Hα-helixtrans-59.5-44.3177.2-71.3168.8000111.9L204 L220 P226 P236 L237 A240 L261 C262 S267 V268 G269 A270L204-L265 HydrophobicContact CD2-CD2 4.17Å; L220-L265 HydrophobicContact CD1-CD2 3.98Å; P226-L265 HydrophobicContact CB-CD2 4.35Å; P236-L265 HydrophobicContact CB-CD1 4.48Å; P236-L265 HydrophobicContact CB-CD2 4.41Å; L237-L265 HydrophobicContact CB-CD1 4.17Å; L237-L265 HydrophobicContact CD1-CB 4.2Å; A240-L265 HydrophobicContact CB-CD1 4.2Å; L261-L265 HydrophobicContact CD1-CD1 4.44Å; L261-L265 HydrophobicContact CG-CD1 4.15Å; L261-L265 WeakPolarHBondContact O-CG 3.36Å; L261-L265 PolarHBondContact O-N 3.19Å; C262-L265 PolarHBondContact O-N 3.14Å; L265-S267 VanDerWaalsContact C-N 3.33Å; L265-S267 PolarHBondContact O-N 3.1Å; L265-V268 PolarHBondContact O-N 2.88Å; L265-G269 PolarHBondContact O-N 2.87Å; L265-A270 HydrophobicContact CB-CB 3.95Å; L265-A270 WeakPolarHBondContact O-CB 3.28Å; L265-A270 PolarHBondContact O-N 3.07Å
266L93.4Very high91.5Very high33 Ų3341.4 Ų41.417%0.17324%0.237CC..Hα-helixtrans-64.5-36.2176.3-70.2170.8000112.2L237 C262 L264 V268 G269 A272 L298L237-L266 HydrophobicContact CD1-CD2 3.57Å; L237-L266 HydrophobicContact CD1-CG 3.8Å; C262-L266 VanDerWaalsContact O-CB 3.31Å; C262-L266 WeakPolarHBondContact O-CB 3.25Å; C262-L266 WeakPolarHBondContact O-CG 3.3Å; C262-L266 PolarHBondContact O-N 3.43Å; L264-L266 VanDerWaalsContact C-N 3.35Å; L264-L266 PolarHBondContact O-N 3.14Å; L266-V268 VanDerWaalsContact C-N 3.27Å; L266-V268 PolarHBondContact O-N 3.43Å; L266-G269 PolarHBondContact O-N 3.04Å; L266-A272 HydrophobicContact CD2-CB 3.64Å; L266-L298 HydrophobicContact CD1-CD2 4.26Å
267S93.1Very high91.7Very high96 Ų9643.8 Ų43.867%0.67125%0.246SC*.Hα-helixtrans-65.4-30.3176.977.10000113.2S263 L264 L265 G269S263-S267 WeakPolarHBondContact O-CB 3.43Å; S263-S267 PolarHBondContact O-N 3.47Å; L264-S267 PolarHBondContact O-N 3.29Å; L264-S267 VanDerWaalsContact O-N 3.14Å; L264-S267 PolarHBondContact O-OG 3.4Å; L265-S267 VanDerWaalsContact C-N 3.33Å; L265-S267 PolarHBondContact O-N 3.1Å; S267-G269 PolarHBondContact O-N 3.09Å
268V92.1Very high91.7Very high73 Ų7342.8 Ų42.844%0.44225%0.249SC..THydrogen-bonded Turntrans-81.9-4.3174.8-177.40000111.7L220 P226 L264 L265 L266L220-V268 HydrophobicContact CD1-CG2 4.29Å; L220-V268 HydrophobicContact CD2-CG1 4.02Å; P226-V268 HydrophobicContact CG-CG1 4.31Å; L264-V268 HydrophobicContact CD2-CG2 4.49Å; L264-V268 WeakPolarHBondContact O-CG2 3.43Å; L264-V268 PolarHBondContact O-N 3.12Å; L264-V268 VanDerWaalsContact O-N 3.15Å; L265-V268 PolarHBondContact O-N 2.88Å; L266-V268 VanDerWaalsContact C-N 3.27Å; L266-V268 PolarHBondContact O-N 3.43Å
269G89.6Confident91.7Very high44 Ų4448.3 Ų48.345%0.45427%0.272SS..THydrogen-bonded Turntrans95.919.5176.100000114.5H227 L265 L266 S267H227-G269 PolarHBondContact CE1-O 3.24Å; H227-G269 PolarHBondContact NE2-O 3.09Å; L265-G269 PolarHBondContact O-N 2.87Å; L266-G269 PolarHBondContact O-N 3.04Å; S267-G269 PolarHBondContact O-N 3.09Å
270A92.5Very high91.7Very high9 Ų946.3 Ų46.37%0.07426%0.264CS..  trans-54.2141.7172.700000111.5P226 L237 L265 A272P226-A270 HydrophobicContact CB-CB 4.01Å; L237-A270 HydrophobicContact CB-CB 4.47Å; L237-A270 HydrophobicContact CD1-CB 3.7Å; L265-A270 HydrophobicContact CB-CB 3.95Å; L265-A270 WeakPolarHBondContact O-CB 3.28Å; L265-A270 PolarHBondContact O-N 3.07Å; A270-A272 PolarHBondContact O-N 2.72Å; A270-A272 VanDerWaalsContact O-N 3.16Å
271D91.4Very high91.7Very high74 Ų7444.5 Ų44.540%0.39625%0.253SS..  trans-73.5109.2179.7178.410.9000110.4D273 A274D271-D273 PolarHBondContact O-N 3.4Å; D271-D273 PolarHBondContact OD1-N 2.85Å; D271-A274 HydrophobicContact CB-CB 4.07Å; D271-A274 WeakPolarHBondContact O-CB 3.35Å; D271-A274 PolarHBondContact O-N 3.15Å
272A90.4Very high91.7Very high12 Ų1244.4 Ų44.410%0.09925%0.252CS..THydrogen-bonded Turntrans-67.1-18.9179.700000113.4L266 A270 P282 L298 C301 V303L266-A272 HydrophobicContact CD2-CB 3.64Å; A270-A272 PolarHBondContact O-N 2.72Å; A270-A272 VanDerWaalsContact O-N 3.16Å; A272-P282 WeakPolarHBondContact O-CD 3.44Å; A272-P282 WeakPolarHBondContact O-CG 3.41Å; A272-L298 HydrophobicContact CB-CD2 4.13Å; A272-C301 HydrophobicContact CB-CB 4.16Å; A272-V303 HydrophobicContact CB-CG2 3.53Å
273D89.1Confident91.6Very high51 Ų5144.4 Ų44.427%0.27325%0.252SS..THydrogen-bonded Turntrans-107.46.1-176.5-155.733.3000112.4D271 A275 R281D271-D273 PolarHBondContact O-N 3.4Å; D271-D273 PolarHBondContact OD1-N 2.85Å; D273-A275 PolarHBondContact O-N 3.27Å; D273-R281 PolarHBondContact O-NH1 2.93Å; D273-R281 VanDerWaalsContact OD1-CD 3.31Å; D273-R281 WeakPolarHBondContact OD1-CD 3.42Å; D273-R281 IonicContact OD1-CZ 2.72Å; D273-R281 IonicContact OD1-NE 2.84Å; D273-R281 IonicContact OD1-NH1 3.65Å; D273-R281 PolarHBondContact OD1-NH1 3.39Å; D273-R281 IonicContact OD2-CZ 2.85Å; D273-R281 IonicContact OD2-NH1 3.19Å; D273-R281 PolarHBondContact OD2-NH1 3.37Å; D273-R281 IonicContact OD2-NH2 3.19Å
274A90.5Very high91.5Very high3 Ų342.4 Ų42.43%0.02524%0.238CC..  trans-59.4125.7-178.300000112.2T235 D271 P282T235-A274 HydrophobicContact CG2-CB 3.77Å; D271-A274 HydrophobicContact CB-CB 4.07Å; D271-A274 WeakPolarHBondContact O-CB 3.35Å; D271-A274 PolarHBondContact O-N 3.15Å; A274-P282 WeakPolarHBondContact O-CD 3.45Å
275A91.4Very high91.2Very high24 Ų2441.3 Ų41.320%0.19823%0.232CC..  trans-102.2139.9179.900000112D273 Q280 R281D273-A275 PolarHBondContact O-N 3.27Å; A275-Q280 WeakPolarHBondContact CA-O 3.44Å; A275-R281 HydrophobicContact CB-CG 3.99Å
276N91.6Very high91Very high8 Ų841.2 Ų41.24%0.04323%0.232CC..  trans-76.6-175.5168.8703.4000111.8G233 W234 L238 D278 K279 Q280G233-N276 WeakPolarHBondContact O-CA 3.34Å; W234-N276 HydrophobicContact CG-CB 4.49Å; L238-N276 HydrophobicContact CD1-CB 4.02Å; N276-D278 VanDerWaalsContact C-N 3.26Å; N276-D278 PolarHBondContact O-N 3.1Å; N276-D278 WeakPolarHBondContact OD1-CA 3.32Å; N276-D278 PolarHBondContact OD1-N 2.94Å; N276-D278 VanDerWaalsContact OD1-N 3.11Å; N276-K279 WeakPolarHBondContact O-CA 3.23Å; N276-K279 PolarHBondContact O-N 2.64Å; N276-K279 PolarHBondContact OD1-N 3.39Å; N276-Q280 PolarHBondContact N-O 3.07Å; N276-Q280 PolarHBondContact ND2-OE1 3.07Å; N276-Q280 WeakPolarHBondContact OD1-CA 3.29Å; N276-Q280 WeakPolarHBondContact OD1-CB 3.37Å; N276-Q280 PolarHBondContact OD1-N 2.97Å; N276-Q280 PolarHBondContact OD1-O 3.48Å
277Q89.8Confident90.8Very high131 Ų13139.7 Ų39.761%0.61222%0.223SC*.THydrogen-bonded Turntrans-58.3-35.8178-77.6175.76.700113.5S231 E232 K279S231-Q277 PolarHBondContact O-NE2 3.49Å; E232-Q277 WeakPolarHBondContact O-CB 3.44Å; E232-Q277 WeakPolarHBondContact O-CG 3.4Å; E232-Q277 PolarHBondContact O-N 3.17Å; E232-Q277 VanDerWaalsContact O-N 3.14Å; Q277-K279 PolarHBondContact O-N 3.48Å
278D88.8Confident90.4Very high88 Ų8840.8 Ų40.847%0.47121%0.213SC..THydrogen-bonded Turntrans-77.68.8175.3-68.6-32.9000113.5N276 Q280 Y310N276-D278 VanDerWaalsContact C-N 3.26Å; N276-D278 PolarHBondContact O-N 3.1Å; N276-D278 WeakPolarHBondContact OD1-CA 3.32Å; N276-D278 PolarHBondContact OD1-N 2.94Å; N276-D278 VanDerWaalsContact OD1-N 3.11Å; D278-Q280 HydrophobicContact CB-CG 3.96Å; D278-Q280 PolarHBondContact O-N 3.25Å; D278-Q280 VanDerWaalsContact O-N 3.07Å; D278-Y310 WeakPolarHBondContact O-CB 3.16Å; D278-Y310 PolarHBondContact O-N 3.3Å
279K90.5Very high89.9Confident121 Ų12138.4 Ų38.453%0.52620%0.197SC..  trans56.417.8-172.4-60.4-178.1177177.90113.8N276 Q277N276-K279 WeakPolarHBondContact O-CA 3.23Å; N276-K279 PolarHBondContact O-N 2.64Å; N276-K279 PolarHBondContact OD1-N 3.39Å; Q277-K279 PolarHBondContact O-N 3.48Å
280Q90.3Very high89.5Confident29 Ų2937 Ų3714%0.13618%0.182CC..  trans-71.9132.6171.5-60.7173.1-20.300108.3A275 N276 D278 D309A275-Q280 WeakPolarHBondContact CA-O 3.44Å; N276-Q280 PolarHBondContact N-O 3.07Å; N276-Q280 PolarHBondContact ND2-OE1 3.07Å; N276-Q280 WeakPolarHBondContact OD1-CA 3.29Å; N276-Q280 WeakPolarHBondContact OD1-CB 3.37Å; N276-Q280 PolarHBondContact OD1-N 2.97Å; N276-Q280 PolarHBondContact OD1-O 3.48Å; D278-Q280 HydrophobicContact CB-CG 3.96Å; D278-Q280 PolarHBondContact O-N 3.25Å; D278-Q280 VanDerWaalsContact O-N 3.07Å; Q280-D309 HydrophobicContact CG-CB 4.02Å
281R93.3Very high89.2Confident62 Ų6236.9 Ų36.923%0.23418%0.18CC..  trans-109.4163.1179.3-57.5175.8-177.8-107.323.7109.2D273 A275 L283 H284 L285D273-R281 PolarHBondContact O-NH1 2.93Å; D273-R281 VanDerWaalsContact OD1-CD 3.31Å; D273-R281 WeakPolarHBondContact OD1-CD 3.42Å; D273-R281 IonicContact OD1-CZ 2.72Å; D273-R281 IonicContact OD1-NE 2.84Å; D273-R281 IonicContact OD1-NH1 3.65Å; D273-R281 PolarHBondContact OD1-NH1 3.39Å; D273-R281 IonicContact OD2-CZ 2.85Å; D273-R281 IonicContact OD2-NH1 3.19Å; D273-R281 PolarHBondContact OD2-NH1 3.37Å; D273-R281 IonicContact OD2-NH2 3.19Å; A275-R281 HydrophobicContact CB-CG 3.99Å; R281-L283 PolarHBondContact O-N 2.91Å; R281-L283 VanDerWaalsContact O-N 3.09Å; R281-H284 WeakPolarHBondContact CB-ND1 3.5Å; R281-H284 PolarHBondContact N-ND1 2.87Å; R281-H284 VanDerWaalsContact N-ND1 3.12Å; R281-H284 WeakPolarHBondContact O-CB 3.46Å; R281-H284 PolarHBondContact O-N 3.44Å; R281-L285 PolarHBondContact O-N 3.33Å
282P92.2Very high88.9Confident0 Ų035.1 Ų35.10%017%0.173CC..Hα-helixtrans-53.5-38.1-178.4-29.438.6000112.9L237 L238 A272 A274 H284 L285 A286 L298L237-P282 HydrophobicContact CD2-CB 3.33Å; L237-P282 HydrophobicContact CD2-CG 3.11Å; L238-P282 HydrophobicContact CD2-CB 4.5Å; L238-P282 HydrophobicContact CD2-CG 3.87Å; L238-P282 HydrophobicContact CG-CG 4.2Å; A272-P282 WeakPolarHBondContact O-CD 3.44Å; A272-P282 WeakPolarHBondContact O-CG 3.41Å; A274-P282 WeakPolarHBondContact O-CD 3.45Å; P282-H284 VanDerWaalsContact C-N 3.32Å; P282-H284 PolarHBondContact O-N 2.94Å; P282-L285 PolarHBondContact O-N 3.37Å; P282-A286 WeakPolarHBondContact O-CB 3.4Å; P282-A286 PolarHBondContact O-N 2.96Å; P282-L298 HydrophobicContact CB-CD1 3.8Å; P282-L298 HydrophobicContact CB-CD2 4.1Å
283L92.2Very high88.8Confident1 Ų136.3 Ų36.31%0.00518%0.183CC..Hα-helixtrans-61.6-37.1177.6-169.764000112.6R281 C287 V295 L298 L299 V303 P315 L338R281-L283 PolarHBondContact O-N 2.91Å; R281-L283 VanDerWaalsContact O-N 3.09Å; L283-C287 VanDerWaalsContact O-CB 3.23Å; L283-C287 WeakPolarHBondContact O-CB 3.37Å; L283-C287 PolarHBondContact O-N 3.27Å; L283-C287 PolarHBondContact O-SG 2.99Å; L283-V295 HydrophobicContact CD1-CB 4.47Å; L283-V295 HydrophobicContact CD1-CG1 4Å; L283-V295 HydrophobicContact CD1-CG2 4.43Å; L283-L298 HydrophobicContact CB-CD1 4.4Å; L283-L298 HydrophobicContact CD1-CB 4.21Å; L283-L298 HydrophobicContact CD1-CD1 4.41Å; L283-L299 HydrophobicContact CD1-CD2 4.27Å; L283-L299 HydrophobicContact CD1-CG 4.2Å; L283-L299 HydrophobicContact CD2-CD2 3.97Å; L283-V303 HydrophobicContact CB-CG1 4.24Å; L283-V303 HydrophobicContact CD2-CG1 4.19Å; L283-P315 HydrophobicContact CB-CG 4.44Å; L283-P315 HydrophobicContact CD2-CB 4Å; L283-P315 HydrophobicContact CD2-CG 3.74Å; L283-P315 HydrophobicContact CG-CB 3.87Å; L283-P315 HydrophobicContact CG-CG 3.97Å; L283-L338 HydrophobicContact CD1-CD2 4.34Å; L283-L338 HydrophobicContact CD2-CD2 4.21Å; L283-L338 HydrophobicContact CG-CD2 4.44Å
284H91.4Very high88.9Confident4 Ų434 Ų342%0.01917%0.171CC..Hα-helixtrans-64.7-43.9177.3-62.492.2000111.5R281 P282 R288 A307 H313 P315R281-H284 WeakPolarHBondContact CB-ND1 3.5Å; R281-H284 PolarHBondContact N-ND1 2.87Å; R281-H284 VanDerWaalsContact N-ND1 3.12Å; R281-H284 WeakPolarHBondContact O-CB 3.46Å; R281-H284 PolarHBondContact O-N 3.44Å; P282-H284 VanDerWaalsContact C-N 3.32Å; P282-H284 PolarHBondContact O-N 2.94Å; H284-R288 WeakPolarHBondContact O-CB 3.31Å; H284-R288 PolarHBondContact O-N 3.45Å; H284-A307 PolarHBondContact NE2-O 3.35Å; H284-H313 PolarHBondContact NE2-O 3.46Å; H284-P315 WeakPolarHBondContact NE2-CD 3.34Å
285L88.9Confident88.9Confident3 Ų333.8 Ų33.82%0.01617%0.17CC..Hα-helixtrans-69.7-46.3-179.1-61.7173.9000111.4W234 L238 C241 D242 R281 P282 C287 R288 H289W234-L285 HydrophobicContact CE3-CD1 4.43Å; W234-L285 HydrophobicContact CH2-CD1 3.95Å; W234-L285 HydrophobicContact CH2-CD2 4.21Å; W234-L285 HydrophobicContact CZ3-CD1 3.5Å; W234-L285 VanDerWaalsContact CZ3-CD1 3.5Å; L238-L285 HydrophobicContact CB-CD1 4.26Å; L238-L285 HydrophobicContact CD2-CD1 3.64Å; L238-L285 WeakPolarHBondContact O-CD1 3.43Å; C241-L285 HydrophobicContact CB-CB 3.88Å; C241-L285 HydrophobicContact CB-CD1 4.33Å; D242-L285 HydrophobicContact CB-CD1 4.31Å; R281-L285 PolarHBondContact O-N 3.33Å; P282-L285 PolarHBondContact O-N 3.37Å; L285-C287 VanDerWaalsContact C-N 3.27Å; L285-C287 PolarHBondContact O-N 2.89Å; L285-R288 WeakPolarHBondContact O-CB 3.24Å; L285-R288 PolarHBondContact O-N 2.84Å; L285-R288 VanDerWaalsContact O-N 3.1Å; L285-H289 PolarHBondContact O-CD2 3.15Å; L285-H289 PolarHBondContact O-N 3.43Å
286A89.1Confident88.8Confident0 Ų036.9 Ų36.90%018%0.18CC..Hα-helixtrans-58.9-39.917600000111.9P282 G290 H291 V294 V295 L298P282-A286 WeakPolarHBondContact O-CB 3.4Å; P282-A286 PolarHBondContact O-N 2.96Å; A286-G290 PolarHBondContact O-N 3.02Å; A286-G290 VanDerWaalsContact O-N 3.07Å; A286-H291 PolarHBondContact O-N 3.25Å; A286-V294 HydrophobicContact CB-CB 4.26Å; A286-V294 HydrophobicContact CB-CG1 3.86Å; A286-V295 HydrophobicContact CB-CG2 3.86Å; A286-L298 HydrophobicContact CB-CD1 4.2Å
287C88.1Confident88.8Confident0 Ų038.5 Ų38.50%019%0.188CC..Hα-helixtrans-67.3-41.8174-73.80000112.6L283 L285 H289 G290 P315 C318 A319 I334L283-C287 VanDerWaalsContact O-CB 3.23Å; L283-C287 WeakPolarHBondContact O-CB 3.37Å; L283-C287 PolarHBondContact O-N 3.27Å; L283-C287 PolarHBondContact O-SG 2.99Å; L285-C287 VanDerWaalsContact C-N 3.27Å; L285-C287 PolarHBondContact O-N 2.89Å; C287-H289 VanDerWaalsContact C-N 3.32Å; C287-H289 PolarHBondContact O-N 2.77Å; C287-G290 PolarHBondContact O-N 2.92Å; C287-P315 WeakPolarHBondContact CB-O 3.28Å; C287-C318 HydrophobicContact CB-CB 4.42Å; C287-A319 HydrophobicContact CB-CB 4Å; C287-A319 WeakPolarHBondContact O-CA 3.13Å; C287-I334 HydrophobicContact CB-CG2 4.48Å
288R85.9Confident88.9Confident120 Ų12032.3 Ų32.345%0.45316%0.159SC..Hα-helixtrans-61.3-39.9179.6-170.6178.3-165.2169.13.8112.3H284 L285 C318 G322 P323H284-R288 WeakPolarHBondContact O-CB 3.31Å; H284-R288 PolarHBondContact O-N 3.45Å; L285-R288 WeakPolarHBondContact O-CB 3.24Å; L285-R288 PolarHBondContact O-N 2.84Å; L285-R288 VanDerWaalsContact O-N 3.1Å; R288-C318 HydrophobicContact CB-CB 4.46Å; R288-G322 WeakPolarHBondContact O-CA 3.32Å; R288-P323 WeakPolarHBondContact O-CD 3.19Å
289H80.8Confident89Confident23 Ų2328.2 Ų28.211%0.10614%0.137CC..Hα-helixtrans-93.5-4.7-177.7-64.1-55.5000114.3C241 D242 L285 C287 A326C241-H289 PolarHBondContact O-CD2 3.41Å; D242-H289 IonicContact OD1-CD2 3.93Å; D242-H289 IonicContact OD1-CE1 3.55Å; D242-H289 IonicContact OD1-NE2 2.88Å; D242-H289 PolarHBondContact OD1-NE2 3.12Å; L285-H289 PolarHBondContact O-CD2 3.15Å; L285-H289 PolarHBondContact O-N 3.43Å; C287-H289 VanDerWaalsContact C-N 3.32Å; C287-H289 PolarHBondContact O-N 2.77Å; H289-A326 WeakPolarHBondContact O-CB 3.46Å
290G82Confident88.9Confident13 Ų1326.2 Ų26.213%0.13414%0.139CC..THydrogen-bonded Turntrans81.823.5173.900000115.2A286 C287 S292 I334A286-G290 PolarHBondContact O-N 3.02Å; A286-G290 VanDerWaalsContact O-N 3.07Å; C287-G290 PolarHBondContact O-N 2.92Å; G290-S292 PolarHBondContact O-N 3.37Å; G290-I334 VanDerWaalsContact C-CD1 3.46Å; G290-I334 VanDerWaalsContact CA-CD1 3.42Å
291H84.9Confident88.8Confident7 Ų728.2 Ų28.23%0.03216%0.155CC..  trans-8179-179.7-60.9-43.3000112A286 A293 V294 V295A286-H291 PolarHBondContact O-N 3.25Å; H291-A293 PolarHBondContact O-N 2.9Å; H291-V294 HydrophobicContact CB-CB 3.91Å; H291-V294 HydrophobicContact CB-CG2 3.9Å; H291-V294 PolarHBondContact O-N 2.97Å; H291-V294 VanDerWaalsContact O-N 3.1Å; H291-V295 WeakPolarHBondContact O-CG2 3.41Å; H291-V295 PolarHBondContact O-N 3.18Å
292S86.3Confident88.3Confident37 Ų3728.4 Ų28.426%0.25918%0.176SC..Hα-helixtrans-53.7-45.2-175.460.40000114.1G290 V294 V295 Q296G290-S292 PolarHBondContact O-N 3.37Å; S292-V294 VanDerWaalsContact C-N 3.35Å; S292-V294 PolarHBondContact O-N 3.43Å; S292-V295 PolarHBondContact O-N 3.42Å; S292-Q296 PolarHBondContact O-N 2.94Å
293A88.6Confident88.1Confident37 Ų3729 Ų2931%0.30618%0.18SC..Hα-helixtrans-64-38.417900000112.4F259 H291 Q296 L297F259-A293 HydrophobicContact CD2-CB 3.42Å; F259-A293 VanDerWaalsContact CD2-CB 3.42Å; F259-A293 HydrophobicContact CE2-CB 3.85Å; F259-A293 HydrophobicContact CG-CB 4.18Å; H291-A293 PolarHBondContact O-N 2.9Å; A293-Q296 PolarHBondContact O-N 3.14Å; A293-L297 WeakPolarHBondContact O-CG 3.4Å; A293-L297 PolarHBondContact O-N 3.39Å; A293-L297 VanDerWaalsContact O-N 3.07Å
294V90.1Very high87.9Confident2 Ų231.3 Ų31.31%0.01220%0.196CC..Hα-helixtrans-68.2-40.8176.3179.50000110.6C258 F259 C262 A286 H291 S292 Q296 L297 L298C258-V294 HydrophobicContact CB-CG2 4.42Å; F259-V294 HydrophobicContact CB-CG2 4.24Å; C262-V294 HydrophobicContact CB-CG1 4.34Å; A286-V294 HydrophobicContact CB-CB 4.26Å; A286-V294 HydrophobicContact CB-CG1 3.86Å; H291-V294 HydrophobicContact CB-CB 3.91Å; H291-V294 HydrophobicContact CB-CG2 3.9Å; H291-V294 PolarHBondContact O-N 2.97Å; H291-V294 VanDerWaalsContact O-N 3.1Å; S292-V294 VanDerWaalsContact C-N 3.35Å; S292-V294 PolarHBondContact O-N 3.43Å; V294-Q296 VanDerWaalsContact C-N 3.34Å; V294-Q296 PolarHBondContact O-N 3.46Å; V294-L297 PolarHBondContact O-N 2.84Å; V294-L298 HydrophobicContact CG1-CD1 3.88Å; V294-L298 HydrophobicContact CG1-CG 4.23Å; V294-L298 WeakPolarHBondContact O-CG 3.21Å; V294-L298 PolarHBondContact O-N 3.34Å
295V90.8Very high87.7Confident0 Ų031.4 Ų31.40%020%0.198CC..Hα-helixtrans-58.5-46.4175.21710000110.7L283 A286 H291 S292 L297 L298 L299 I334 L338L283-V295 HydrophobicContact CD1-CB 4.47Å; L283-V295 HydrophobicContact CD1-CG1 4Å; L283-V295 HydrophobicContact CD1-CG2 4.43Å; A286-V295 HydrophobicContact CB-CG2 3.86Å; H291-V295 WeakPolarHBondContact O-CG2 3.41Å; H291-V295 PolarHBondContact O-N 3.18Å; S292-V295 PolarHBondContact O-N 3.42Å; V295-L297 PolarHBondContact O-N 2.89Å; V295-L298 PolarHBondContact O-N 3.45Å; V295-L299 HydrophobicContact CG1-CD1 3.72Å; V295-L299 HydrophobicContact CG1-CG 4.31Å; V295-L299 WeakPolarHBondContact O-CB 3.47Å; V295-L299 VanDerWaalsContact O-CG 3.24Å; V295-L299 WeakPolarHBondContact O-CG 3.37Å; V295-L299 PolarHBondContact O-N 2.8Å; V295-I334 HydrophobicContact CG1-CG2 4.36Å; V295-I334 HydrophobicContact CG2-CG1 4.43Å; V295-I334 HydrophobicContact CG2-CG2 4.24Å; V295-L338 HydrophobicContact CG1-CD2 4.47Å
296Q89.8Confident87.7Confident89 Ų8934.5 Ų34.542%0.41621%0.214SC..Hα-helixtrans-61.3-43.4176.8-72.5-177.4-6.300112.5S292 A293 V294 L299 S300 D337S292-Q296 PolarHBondContact O-N 2.94Å; A293-Q296 PolarHBondContact O-N 3.14Å; V294-Q296 VanDerWaalsContact C-N 3.34Å; V294-Q296 PolarHBondContact O-N 3.46Å; Q296-L299 PolarHBondContact O-N 3.04Å; Q296-S300 WeakPolarHBondContact O-CB 3.42Å; Q296-S300 PolarHBondContact O-N 3.5Å; Q296-D337 WeakPolarHBondContact CG-OD2 3.23Å; Q296-D337 PolarHBondContact NE2-OD2 3.1Å
297L91.5Very high87.7Confident42 Ų4235 Ų3522%0.2222%0.218CC..Hα-helixtrans-59.4-51.5175.3-73.5-178.5000111.5F259 A293 V294 V295 L299 S300 C301F259-L297 HydrophobicContact CD2-CD1 3.39Å; F259-L297 HydrophobicContact CD2-CG 4.01Å; F259-L297 HydrophobicContact CE2-CD1 3.18Å; F259-L297 HydrophobicContact CE2-CD2 3.93Å; F259-L297 HydrophobicContact CE2-CG 3.46Å; F259-L297 VanDerWaalsContact CE2-CG 3.46Å; F259-L297 HydrophobicContact CG-CD1 4.28Å; F259-L297 HydrophobicContact CZ-CD1 3.87Å; F259-L297 HydrophobicContact CZ-CD2 4.28Å; F259-L297 HydrophobicContact CZ-CG 4.26Å; A293-L297 WeakPolarHBondContact O-CG 3.4Å; A293-L297 PolarHBondContact O-N 3.39Å; A293-L297 VanDerWaalsContact O-N 3.07Å; V294-L297 PolarHBondContact O-N 2.84Å; V295-L297 PolarHBondContact O-N 2.89Å; L297-L299 VanDerWaalsContact C-N 3.33Å; L297-L299 PolarHBondContact O-N 3.33Å; L297-S300 WeakPolarHBondContact O-CB 3.38Å; L297-S300 PolarHBondContact O-N 3.07Å; L297-S300 VanDerWaalsContact O-N 3.1Å; L297-S300 PolarHBondContact O-OG 3.24Å; L297-C301 PolarHBondContact O-N 3.4Å; L297-C301 VanDerWaalsContact O-N 3.09Å; L297-C301 PolarHBondContact O-SG 3.06Å; L297-C301 VanDerWaalsContact O-SG 3.34Å
298L91.8Very high87.8Confident0 Ų040.5 Ų40.50%025%0.245CC..Hα-helixtrans-62.1-40.8-178.5-68.5172.2000112L266 A272 P282 L283 A286 V294 V295 S300 C301 V303L266-L298 HydrophobicContact CD1-CD2 4.26Å; A272-L298 HydrophobicContact CB-CD2 4.13Å; P282-L298 HydrophobicContact CB-CD1 3.8Å; P282-L298 HydrophobicContact CB-CD2 4.1Å; L283-L298 HydrophobicContact CB-CD1 4.4Å; L283-L298 HydrophobicContact CD1-CB 4.21Å; L283-L298 HydrophobicContact CD1-CD1 4.41Å; A286-L298 HydrophobicContact CB-CD1 4.2Å; V294-L298 HydrophobicContact CG1-CD1 3.88Å; V294-L298 HydrophobicContact CG1-CG 4.23Å; V294-L298 WeakPolarHBondContact O-CG 3.21Å; V294-L298 PolarHBondContact O-N 3.34Å; V295-L298 PolarHBondContact O-N 3.45Å; L298-S300 VanDerWaalsContact C-N 3.32Å; L298-S300 PolarHBondContact O-N 2.97Å; L298-C301 WeakPolarHBondContact O-CB 3.48Å; L298-C301 PolarHBondContact O-N 3.14Å; L298-V303 HydrophobicContact CB-CG2 4.47Å; L298-V303 WeakPolarHBondContact O-CB 3.31Å; L298-V303 VanDerWaalsContact O-CG2 3.23Å; L298-V303 WeakPolarHBondContact O-CG2 3.43Å; L298-V303 PolarHBondContact O-N 3.01Å
299L90.1Very high87.9Confident2 Ų235.7 Ų35.71%0.0123%0.229CC..Hα-helixtrans-65.5-36175.2-69.9173.2000112L283 V295 Q296 L297 C301 G302 A305 D337 L338 Y341L283-L299 HydrophobicContact CD1-CD2 4.27Å; L283-L299 HydrophobicContact CD1-CG 4.2Å; L283-L299 HydrophobicContact CD2-CD2 3.97Å; V295-L299 HydrophobicContact CG1-CD1 3.72Å; V295-L299 HydrophobicContact CG1-CG 4.31Å; V295-L299 WeakPolarHBondContact O-CB 3.47Å; V295-L299 VanDerWaalsContact O-CG 3.24Å; V295-L299 WeakPolarHBondContact O-CG 3.37Å; V295-L299 PolarHBondContact O-N 2.8Å; Q296-L299 PolarHBondContact O-N 3.04Å; L297-L299 VanDerWaalsContact C-N 3.33Å; L297-L299 PolarHBondContact O-N 3.33Å; L299-C301 PolarHBondContact O-N 3.04Å; L299-G302 PolarHBondContact O-N 3.38Å; L299-A305 HydrophobicContact CD2-CB 4.14Å; L299-D337 HydrophobicContact CD1-CB 4.12Å; L299-L338 HydrophobicContact CD1-CD2 4.3Å; L299-L338 HydrophobicContact CD2-CD2 4.4Å; L299-Y341 HydrophobicContact CB-CD1 3.94Å; L299-Y341 HydrophobicContact CB-CD2 3.95Å; L299-Y341 HydrophobicContact CB-CE1 3.9Å; L299-Y341 HydrophobicContact CB-CE2 3.9Å; L299-Y341 HydrophobicContact CB-CG 3.96Å; L299-Y341 HydrophobicContact CD1-CD2 3.67Å; L299-Y341 HydrophobicContact CD1-CE2 4.12Å; L299-Y341 HydrophobicContact CD1-CG 4.06Å; L299-Y341 HydrophobicContact CD2-CD1 4.47Å; L299-Y341 HydrophobicContact CD2-CG 4.1Å; L299-Y341 HydrophobicContact CG-CD2 4.27Å; L299-Y341 HydrophobicContact CG-CG 4.26Å; L299-Y341 WeakPolarHBondContact O-CE1 3.37Å
300S88.8Confident88.3Confident79 Ų7943.6 Ų43.655%0.55226%0.259SS*.Hα-helixtrans-65.9-27.2174.979.90000113Q296 L297 L298 G302Q296-S300 WeakPolarHBondContact O-CB 3.42Å; Q296-S300 PolarHBondContact O-N 3.5Å; L297-S300 WeakPolarHBondContact O-CB 3.38Å; L297-S300 PolarHBondContact O-N 3.07Å; L297-S300 VanDerWaalsContact O-N 3.1Å; L297-S300 PolarHBondContact O-OG 3.24Å; L298-S300 VanDerWaalsContact C-N 3.32Å; L298-S300 PolarHBondContact O-N 2.97Å; S300-G302 PolarHBondContact O-N 2.86Å
301C87.9Confident88.4Confident71 Ų7145.5 Ų45.548%0.4828%0.279SS..THydrogen-bonded Turntrans-73.8-2.5172-62.20000113.4A272 L297 L298 L299 V303A272-C301 HydrophobicContact CB-CB 4.16Å; L297-C301 PolarHBondContact O-N 3.4Å; L297-C301 VanDerWaalsContact O-N 3.09Å; L297-C301 PolarHBondContact O-SG 3.06Å; L297-C301 VanDerWaalsContact O-SG 3.34Å; L298-C301 WeakPolarHBondContact O-CB 3.48Å; L298-C301 PolarHBondContact O-N 3.14Å; L299-C301 PolarHBondContact O-N 3.04Å; C301-V303 HydrophobicContact CB-CG2 4.43Å
302G84.1Confident88.6Confident66 Ų6646.8 Ų46.868%0.6829%0.294SS*.THydrogen-bonded Turntrans81.319.6179.100000114.4L299 S300L299-G302 PolarHBondContact O-N 3.38Å; S300-G302 PolarHBondContact O-N 2.86Å
303V87.8Confident88.6Confident14 Ų1448.6 Ų48.69%0.08530%0.298CS..  trans-62.9141.7176.1177.80000110.5A272 L283 L298 C301 A305A272-V303 HydrophobicContact CB-CG2 3.53Å; L283-V303 HydrophobicContact CB-CG1 4.24Å; L283-V303 HydrophobicContact CD2-CG1 4.19Å; L298-V303 HydrophobicContact CB-CG2 4.47Å; L298-V303 WeakPolarHBondContact O-CB 3.31Å; L298-V303 VanDerWaalsContact O-CG2 3.23Å; L298-V303 WeakPolarHBondContact O-CG2 3.43Å; L298-V303 PolarHBondContact O-N 3.01Å; C301-V303 HydrophobicContact CB-CG2 4.43Å; V303-A305 PolarHBondContact O-N 3.48Å
304S87.3Confident88.7Confident49 Ų4947.3 Ų47.334%0.34329%0.287SS..  trans-68.2116.7-179.566.50000111.9N306 A307S304-N306 PolarHBondContact O-N 3.29Å; S304-N306 VanDerWaalsContact O-N 3.15Å; S304-A307 WeakPolarHBondContact OG-CB 3.33Å
305A86.7Confident88.7Confident6 Ų647.3 Ų47.35%0.0529%0.287CS..THydrogen-bonded Turntrans-68.9-8.8177.100000113.9L299 V303 P315 A343L299-A305 HydrophobicContact CD2-CB 4.14Å; V303-A305 PolarHBondContact O-N 3.48Å; A305-P315 WeakPolarHBondContact O-CD 3.28Å; A305-A343 HydrophobicContact CB-CB 4.32Å
306N88.8Confident88.6Confident67 Ų6747.3 Ų47.336%0.35829%0.287SS..THydrogen-bonded Turntrans-119.69-171.2-66-37.4000113.9S304 G342 A343 V344S304-N306 PolarHBondContact O-N 3.29Å; S304-N306 VanDerWaalsContact O-N 3.15Å; N306-G342 PolarHBondContact ND2-O 3Å; N306-A343 WeakPolarHBondContact OD1-CA 3.36Å; N306-V344 HydrophobicContact CB-CG2 4.4Å; N306-V344 WeakPolarHBondContact OD1-CG2 3.29Å; N306-V344 PolarHBondContact OD1-N 2.98Å
307A89.3Confident88.4Confident11 Ų1145.8 Ų45.89%0.09128%0.28CS..  trans-57.5147.5169.500000110H284 S304 P315H284-A307 PolarHBondContact NE2-O 3.35Å; S304-A307 WeakPolarHBondContact OG-CB 3.33Å; A307-P315 WeakPolarHBondContact O-CD 3.45Å
308M89.8Confident88.1Confident115 Ų11544.5 Ų44.557%0.56727%0.274SS*.  trans-113140.6173.8-66.1-177.4-66.400109.4H313 T314M308-H313 WeakPolarHBondContact CA-O 3.38Å; M308-T314 HydrophobicContact CG-CG2 4.01Å
309D89.8Confident87.8Confident20 Ų2044.6 Ų44.611%0.10728%0.275CS..  trans-73.5179.6165.271.25.1000111.3Q280 G311 G312 H313Q280-D309 HydrophobicContact CG-CB 4.02Å; D309-G311 PolarHBondContact O-N 3.33Å; D309-G311 WeakPolarHBondContact OD1-CA 3.09Å; D309-G311 PolarHBondContact OD1-N 3.03Å; D309-G312 PolarHBondContact O-N 3.08Å; D309-G312 PolarHBondContact OD1-N 3.45Å; D309-G312 VanDerWaalsContact OD1-N 3.07Å; D309-H313 PolarHBondContact N-O 2.75Å; D309-H313 VanDerWaalsContact N-O 3.09Å; D309-H313 WeakPolarHBondContact OD1-CB 3.4Å; D309-H313 IonicContact OD1-CD2 3.81Å; D309-H313 IonicContact OD1-CG 3.47Å; D309-H313 PolarHBondContact OD1-N 3.25Å; D309-H313 IonicContact OD2-CD2 2.71Å
310Y87.9Confident87.5Confident188 Ų18845 Ų4574%0.73728%0.277SS*.THydrogen-bonded Turntrans-59.7-28177.3-172-95.4000113.2D278 G312D278-Y310 WeakPolarHBondContact O-CB 3.16Å; D278-Y310 PolarHBondContact O-N 3.3Å; Y310-G312 VanDerWaalsContact C-N 3.25Å; Y310-G312 PolarHBondContact O-N 3.25Å
311G84.6Confident87Confident53 Ų5345.6 Ų45.655%0.54627%0.273SS..THydrogen-bonded Turntrans-77.9-3.6176.100000114.4D309 H313D309-G311 PolarHBondContact O-N 3.33Å; D309-G311 WeakPolarHBondContact OD1-CA 3.09Å; D309-G311 PolarHBondContact OD1-N 3.03Å; G311-H313 PolarHBondContact O-N 2.99Å
312G88Confident86.2Confident35 Ų3542.2 Ų42.236%0.36125%0.251SS..SBendtrans74.116.9-173.800000113.1D309 Y310D309-G312 PolarHBondContact O-N 3.08Å; D309-G312 PolarHBondContact OD1-N 3.45Å; D309-G312 VanDerWaalsContact OD1-N 3.07Å; Y310-G312 VanDerWaalsContact C-N 3.25Å; Y310-G312 PolarHBondContact O-N 3.25Å
313H87.7Confident85.4Confident74 Ų7441.8 Ų41.834%0.34324%0.235SC..  trans-85.5129.4175.2-58.3-59000109.9H284 M308 D309 G311 H317H284-H313 PolarHBondContact NE2-O 3.46Å; M308-H313 WeakPolarHBondContact CA-O 3.38Å; D309-H313 PolarHBondContact N-O 2.75Å; D309-H313 VanDerWaalsContact N-O 3.09Å; D309-H313 WeakPolarHBondContact OD1-CB 3.4Å; D309-H313 IonicContact OD1-CD2 3.81Å; D309-H313 IonicContact OD1-CG 3.47Å; D309-H313 PolarHBondContact OD1-N 3.25Å; D309-H313 IonicContact OD2-CD2 2.71Å; G311-H313 PolarHBondContact O-N 2.99Å; H313-H317 HydrophobicContact CB-CB 4.04Å
314T90.8Very high84Confident11 Ų1144.8 Ų44.87%0.06725%0.254CS..  trans-81.1163.9167.959.60000109.6M308 L316 H317 C318M308-T314 HydrophobicContact CG-CG2 4.01Å; T314-L316 PolarHBondContact O-N 2.91Å; T314-L316 VanDerWaalsContact O-N 3.14Å; T314-H317 PolarHBondContact N-ND1 3.43Å; T314-H317 WeakPolarHBondContact O-CA 3.35Å; T314-H317 WeakPolarHBondContact O-CB 3.49Å; T314-H317 PolarHBondContact O-N 3.05Å; T314-H317 PolarHBondContact OG1-N 3.3Å; T314-H317 PolarHBondContact OG1-ND1 3.28Å; T314-C318 PolarHBondContact O-N 3.02Å; T314-C318 PolarHBondContact O-SG 2.91Å
315P89.1Confident82.6Confident1 Ų147.7 Ų47.71%0.00627%0.27CS..Hα-helixtrans-53.9-35.1173.7-26.932.6000113.1L283 H284 C287 A305 A307 C318 A319 L338L283-P315 HydrophobicContact CB-CG 4.44Å; L283-P315 HydrophobicContact CD2-CB 4Å; L283-P315 HydrophobicContact CD2-CG 3.74Å; L283-P315 HydrophobicContact CG-CB 3.87Å; L283-P315 HydrophobicContact CG-CG 3.97Å; H284-P315 WeakPolarHBondContact NE2-CD 3.34Å; C287-P315 WeakPolarHBondContact CB-O 3.28Å; A305-P315 WeakPolarHBondContact O-CD 3.28Å; A307-P315 WeakPolarHBondContact O-CD 3.45Å; P315-C318 WeakPolarHBondContact O-CB 3.29Å; P315-C318 PolarHBondContact O-N 3.03Å; P315-A319 PolarHBondContact O-N 3.29Å; P315-L338 HydrophobicContact CB-CD2 4.11Å
316L88.6Confident81Confident1 Ų148.7 Ų48.71%0.00528%0.278CS..Hα-helixtrans-66-40.1174.8-169149.4000111.8T314 C318 A319 L320 L338 L339 A343 V346T314-L316 PolarHBondContact O-N 2.91Å; T314-L316 VanDerWaalsContact O-N 3.14Å; L316-C318 VanDerWaalsContact C-N 3.35Å; L316-A319 PolarHBondContact O-N 3.44Å; L316-L320 HydrophobicContact CD2-CD1 3.67Å; L316-L320 HydrophobicContact CD2-CG 4.37Å; L316-L320 WeakPolarHBondContact O-CG 3.35Å; L316-L320 PolarHBondContact O-N 3.1Å; L316-L320 VanDerWaalsContact O-N 3.15Å; L316-L338 HydrophobicContact CB-CD1 4.04Å; L316-L338 HydrophobicContact CD1-CB 4.49Å; L316-L338 HydrophobicContact CG-CD1 4.48Å; L316-L339 HydrophobicContact CD1-CD2 3.68Å; L316-L339 HydrophobicContact CD1-CG 3.96Å; L316-A343 HydrophobicContact CB-CB 4.41Å; L316-A343 HydrophobicContact CD1-CB 3.82Å; L316-V346 HydrophobicContact CD2-CG2 3.35Å
317H86.9Confident79.4Confident57 Ų5745.8 Ų45.826%0.26426%0.263SS..Hα-helixtrans-62.6-41.9171.8-64.3160.6000111.5H313 T314 A319 L320 L321H313-H317 HydrophobicContact CB-CB 4.04Å; T314-H317 PolarHBondContact N-ND1 3.43Å; T314-H317 WeakPolarHBondContact O-CA 3.35Å; T314-H317 WeakPolarHBondContact O-CB 3.49Å; T314-H317 PolarHBondContact O-N 3.05Å; T314-H317 PolarHBondContact OG1-N 3.3Å; T314-H317 PolarHBondContact OG1-ND1 3.28Å; H317-A319 PolarHBondContact O-N 2.87Å; H317-L320 PolarHBondContact O-N 3.1Å; H317-L321 VanDerWaalsContact O-CB 3.3Å; H317-L321 WeakPolarHBondContact O-CB 3.42Å; H317-L321 VanDerWaalsContact O-CG 3.28Å; H317-L321 WeakPolarHBondContact O-CG 3.45Å; H317-L321 PolarHBondContact O-N 3.01Å
318C85.5Confident77.5Confident15 Ų1548.6 Ų48.610%0.10129%0.286CS..Hα-helixtrans-62.7-40.4176.7-61.40000112.4C287 R288 T314 P315 L316 L320 L321 G322C287-C318 HydrophobicContact CB-CB 4.42Å; R288-C318 HydrophobicContact CB-CB 4.46Å; T314-C318 PolarHBondContact O-N 3.02Å; T314-C318 PolarHBondContact O-SG 2.91Å; P315-C318 WeakPolarHBondContact O-CB 3.29Å; P315-C318 PolarHBondContact O-N 3.03Å; L316-C318 VanDerWaalsContact C-N 3.35Å; C318-L320 VanDerWaalsContact C-N 3.32Å; C318-L320 PolarHBondContact O-N 3.31Å; C318-L321 PolarHBondContact O-N 3.45Å; C318-G322 PolarHBondContact O-N 2.87Å
319A84.9Confident75.8Confident2 Ų248.4 Ų48.42%0.01728%0.283CS..Hα-helixtrans-60.6-40.4174.400000112.2C287 P315 L316 H317 L327 I334 L338 W358C287-A319 HydrophobicContact CB-CB 4Å; C287-A319 WeakPolarHBondContact O-CA 3.13Å; P315-A319 PolarHBondContact O-N 3.29Å; L316-A319 PolarHBondContact O-N 3.44Å; H317-A319 PolarHBondContact O-N 2.87Å; A319-L327 WeakPolarHBondContact O-CD1 3.28Å; A319-I334 HydrophobicContact CB-CG2 3.96Å; A319-L338 HydrophobicContact CB-CD1 4.38Å; A319-W358 WeakPolarHBondContact O-CZ2 3.22Å
320L83.2Confident74.7Confident10 Ų1049 Ų495%0.05229%0.289CS..Hα-helixtrans-79.6-24.6-179.7-64176.7000113.7L316 H317 C318 V335 V346 V354 W358 T364 L368L316-L320 HydrophobicContact CD2-CD1 3.67Å; L316-L320 HydrophobicContact CD2-CG 4.37Å; L316-L320 WeakPolarHBondContact O-CG 3.35Å; L316-L320 PolarHBondContact O-N 3.1Å; L316-L320 VanDerWaalsContact O-N 3.15Å; H317-L320 PolarHBondContact O-N 3.1Å; C318-L320 VanDerWaalsContact C-N 3.32Å; C318-L320 PolarHBondContact O-N 3.31Å; L320-V335 HydrophobicContact CD2-CG2 4.17Å; L320-V346 HydrophobicContact CD1-CG2 3.63Å; L320-V354 HydrophobicContact CD1-CG1 4.44Å; L320-V354 HydrophobicContact CD1-CG2 4.09Å; L320-V354 HydrophobicContact CD2-CG1 4.27Å; L320-W358 PolarHBondContact O-NE1 3.39Å; L320-T364 HydrophobicContact CD2-CG2 4.4Å; L320-L368 HydrophobicContact CD1-CD1 4.33Å; L320-L368 HydrophobicContact CD2-CD1 4.08Å
321L79.4Confident74.2Confident92 Ų9240.5 Ų40.548%0.48226%0.257SS..Hα-helixtrans-93.9-9.3179-69.9172.8000113.9H317 C318 R357H317-L321 VanDerWaalsContact O-CB 3.3Å; H317-L321 WeakPolarHBondContact O-CB 3.42Å; H317-L321 VanDerWaalsContact O-CG 3.28Å; H317-L321 WeakPolarHBondContact O-CG 3.45Å; H317-L321 PolarHBondContact O-N 3.01Å; C318-L321 PolarHBondContact O-N 3.45Å; L321-R357 VanDerWaalsContact C-NH2 3.28Å; L321-R357 PolarHBondContact O-NH1 3.44Å; L321-R357 PolarHBondContact O-NH2 3.15Å
322G70.6Confident73.9Confident0 Ų039 Ų390%024%0.236CC..SBendtrans-63.7159.8-179.900000113.8R288 C318 T324 R357R288-G322 WeakPolarHBondContact O-CA 3.32Å; C318-G322 PolarHBondContact O-N 2.87Å; G322-T324 PolarHBondContact O-N 2.71Å; G322-R357 PolarHBondContact O-NH2 3.27Å
323P67.3Low73.7Confident56 Ų5640.1 Ų40.136%0.36423%0.232SC..  trans-60.1128.2178.123.3-31.2000110.9R288 T325 A326 L327R288-P323 WeakPolarHBondContact O-CD 3.19Å; P323-T325 PolarHBondContact O-N 2.84Å; P323-T325 VanDerWaalsContact O-N 3.11Å; P323-A326 HydrophobicContact CG-CB 3.89Å; P323-A326 PolarHBondContact O-N 3.4Å; P323-A326 VanDerWaalsContact O-N 3.13Å; P323-L327 PolarHBondContact O-N 3.46Å
324T58.5Low73.6Confident77 Ų7736.7 Ų36.747%0.47222%0.215SC..THydrogen-bonded Turntrans-60.7-22.4-178.950.50000112.7G322 L327 A328 R357G322-T324 PolarHBondContact O-N 2.71Å; T324-L327 CarbonylContact O-C 3.57Å; T324-A328 PolarHBondContact O-N 3.04Å; T324-R357 HydrophobicContact CG2-CG 4.47Å
325T56.7Low73.4Confident111 Ų11136.2 Ų36.268%0.68121%0.213SC*.THydrogen-bonded Turntrans-73.4-38.1176.652.10000113.5P323 A328P323-T325 PolarHBondContact O-N 2.84Å; P323-T325 VanDerWaalsContact O-N 3.11Å; T325-A328 WeakPolarHBondContact O-CB 3.39Å
326A53.7Low73.2Confident27 Ų2738.1 Ų38.122%0.22322%0.22CC..G310 helixtrans-75-33.3176.500000111.1H289 P323 A328H289-A326 WeakPolarHBondContact O-CB 3.46Å; P323-A326 HydrophobicContact CG-CB 3.89Å; P323-A326 PolarHBondContact O-N 3.4Å; P323-A326 VanDerWaalsContact O-N 3.13Å; A326-A328 PolarHBondContact O-N 3.38Å
327L54.5Low73.1Confident6 Ų638.7 Ų38.73%0.03122%0.223CC..G310 helixtrans-84.617.1176.2-69.7152.1000112.8A319 P323 T324 H329 P331 I334 W358A319-L327 WeakPolarHBondContact O-CD1 3.28Å; P323-L327 PolarHBondContact O-N 3.46Å; T324-L327 CarbonylContact O-C 3.57Å; L327-H329 PolarHBondContact O-N 2.9Å; L327-P331 HydrophobicContact CB-CB 4.17Å; L327-P331 HydrophobicContact CD2-CB 3.86Å; L327-P331 WeakPolarHBondContact O-CD 3.5Å; L327-I334 HydrophobicContact CD2-CD1 4.17Å; L327-W358 HydrophobicContact CB-CH2 3.68Å; L327-W358 HydrophobicContact CB-CZ3 4.22Å; L327-W358 HydrophobicContact CD1-CH2 3.55Å; L327-W358 HydrophobicContact CD1-CZ2 3.91Å; L327-W358 HydrophobicContact CD2-CH2 4.41Å; L327-W358 HydrophobicContact CG-CH2 4.05Å
328A49.1Very low73.1Confident70 Ų7036 Ų3658%0.57921%0.21SC*.G310 helixtrans-65.7-21.7177.500000112.6T324 T325 A326T324-A328 PolarHBondContact O-N 3.04Å; T325-A328 WeakPolarHBondContact O-CB 3.39Å; A326-A328 PolarHBondContact O-N 3.38Å
329H55.2Low73.1Confident110 Ų11035.7 Ų35.751%0.50921%0.208SC..SBendtrans-102.884.2-179.7-6382.1000110.3L327L327-H329 PolarHBondContact O-N 2.9Å
330S67.5Low73.1Confident34 Ų3436.3 Ų36.324%0.23821%0.211CC..  trans59.360.5166.262.80000117.6E332 H333S330-E332 VanDerWaalsContact C-OE2 3.26Å; S330-E332 VanDerWaalsContact CA-CD 3.47Å; S330-E332 VanDerWaalsContact CA-OE2 3.26Å; S330-E332 WeakPolarHBondContact CA-OE2 3.45Å; S330-E332 WeakPolarHBondContact CB-OE1 3.37Å; S330-E332 PolarHBondContact O-N 2.99Å; S330-E332 VanDerWaalsContact O-N 3.13Å; S330-H333 VanDerWaalsContact CB-CD2 3.47Å; S330-H333 WeakPolarHBondContact CB-CD2 3.49Å; S330-H333 PolarHBondContact O-N 3.07Å; S330-H333 VanDerWaalsContact O-N 3.15Å; S330-H333 PolarHBondContact OG-CD2 3.33Å; S330-H333 VanDerWaalsContact OG-CD2 3.3Å
331P75.8Confident73Confident8 Ų839.8 Ų39.85%0.05222%0.224CC..Hα-helixtrans-59.6-24.1176.227.2-34.8000112.7L327 H333 I334 V335 W358L327-P331 HydrophobicContact CB-CB 4.17Å; L327-P331 HydrophobicContact CD2-CB 3.86Å; L327-P331 WeakPolarHBondContact O-CD 3.5Å; P331-H333 PolarHBondContact O-N 3.4Å; P331-I334 PolarHBondContact O-N 3.28Å; P331-V335 PolarHBondContact O-N 3.15Å; P331-W358 HydrophobicContact CB-CH2 3.81Å; P331-W358 HydrophobicContact CB-CZ3 3.79Å; P331-W358 HydrophobicContact CG-CE3 4.26Å; P331-W358 HydrophobicContact CG-CH2 4.11Å; P331-W358 HydrophobicContact CG-CZ3 3.55Å
332E78.8Confident73.2Confident23 Ų2336 Ų3611%0.10721%0.207CC..Hα-helixtrans-58.3-32176.862.6-89-162.600113.1S330 R336 R363 F447S330-E332 VanDerWaalsContact C-OE2 3.26Å; S330-E332 VanDerWaalsContact CA-CD 3.47Å; S330-E332 VanDerWaalsContact CA-OE2 3.26Å; S330-E332 WeakPolarHBondContact CA-OE2 3.45Å; S330-E332 WeakPolarHBondContact CB-OE1 3.37Å; S330-E332 PolarHBondContact O-N 2.99Å; S330-E332 VanDerWaalsContact O-N 3.13Å; E332-R336 WeakPolarHBondContact O-CB 3.46Å; E332-R336 PolarHBondContact O-N 3.39Å; E332-R363 HydrophobicContact CB-CB 4.08Å; E332-R363 HydrophobicContact CG-CB 4.15Å; E332-F447 HydrophobicContact CB-CE1 3.68Å; E332-F447 HydrophobicContact CB-CZ 3.5Å; E332-F447 VanDerWaalsContact CB-CZ 3.5Å; E332-F447 HydrophobicContact CG-CE1 3.82Å; E332-F447 HydrophobicContact CG-CE2 3.99Å; E332-F447 HydrophobicContact CG-CZ 3.27Å
333H83.1Confident73.9Confident58 Ų5836.3 Ų36.327%0.26921%0.21SC..Hα-helixtrans-67.4-42.8177.8-69.8-38.4000111.4S330 P331 R336 D337S330-H333 VanDerWaalsContact CB-CD2 3.47Å; S330-H333 WeakPolarHBondContact CB-CD2 3.49Å; S330-H333 PolarHBondContact O-N 3.07Å; S330-H333 VanDerWaalsContact O-N 3.15Å; S330-H333 PolarHBondContact OG-CD2 3.33Å; S330-H333 VanDerWaalsContact OG-CD2 3.3Å; P331-H333 PolarHBondContact O-N 3.4Å; H333-R336 PolarHBondContact ND1-NH2 3.45Å; H333-R336 PolarHBondContact O-N 3.4Å; H333-D337 WeakPolarHBondContact O-CB 3.28Å; H333-D337 PolarHBondContact O-N 3.37Å
334I85.8Confident74.7Confident1 Ų137.8 Ų37.81%0.00522%0.217CC..Hα-helixtrans-63.7-47.8178.5-64169.7000110.5C287 G290 V295 A319 L327 P331 R336 D337 L338C287-I334 HydrophobicContact CB-CG2 4.48Å; G290-I334 VanDerWaalsContact C-CD1 3.46Å; G290-I334 VanDerWaalsContact CA-CD1 3.42Å; V295-I334 HydrophobicContact CG1-CG2 4.36Å; V295-I334 HydrophobicContact CG2-CG1 4.43Å; V295-I334 HydrophobicContact CG2-CG2 4.24Å; A319-I334 HydrophobicContact CB-CG2 3.96Å; L327-I334 HydrophobicContact CD2-CD1 4.17Å; P331-I334 PolarHBondContact O-N 3.28Å; I334-R336 VanDerWaalsContact C-N 3.34Å; I334-R336 PolarHBondContact O-N 2.91Å; I334-D337 PolarHBondContact O-N 2.94Å; I334-L338 HydrophobicContact CG2-CD1 3.94Å; I334-L338 HydrophobicContact CG2-CG 4.39Å; I334-L338 WeakPolarHBondContact O-CB 3.3Å; I334-L338 VanDerWaalsContact O-CG 3.28Å; I334-L338 WeakPolarHBondContact O-CG 3.21Å; I334-L338 PolarHBondContact O-N 3.43Å
335V86.8Confident75.8Confident2 Ų239 Ų391%0.01221%0.213CC..Hα-helixtrans-63-43.4179.9176.50000110.7L320 P331 L339 T364 V367 L368L320-V335 HydrophobicContact CD2-CG2 4.17Å; P331-V335 PolarHBondContact O-N 3.15Å; V335-L339 HydrophobicContact CG1-CD1 3.81Å; V335-L339 HydrophobicContact CG1-CG 4.48Å; V335-L339 WeakPolarHBondContact O-CB 3.01Å; V335-L339 WeakPolarHBondContact O-CD1 3.17Å; V335-L339 WeakPolarHBondContact O-CG 3.4Å; V335-L339 PolarHBondContact O-N 3.21Å; V335-T364 HydrophobicContact CB-CG2 4.46Å; V335-T364 HydrophobicContact CG2-CG2 3.91Å; V335-V367 HydrophobicContact CG1-CG1 4.02Å; V335-L368 HydrophobicContact CG1-CD2 3.63Å; V335-L368 HydrophobicContact CG1-CG 3.92Å
336R86.1Confident77Confident40 Ų4034.1 Ų34.115%0.15118%0.183CC..Hα-helixtrans-60-47.5175.7-179-179.166.6175.6-4.2111.4E332 H333 I334 L339 N340 V367 Q444 L445 D446E332-R336 WeakPolarHBondContact O-CB 3.46Å; E332-R336 PolarHBondContact O-N 3.39Å; H333-R336 PolarHBondContact ND1-NH2 3.45Å; H333-R336 PolarHBondContact O-N 3.4Å; I334-R336 VanDerWaalsContact C-N 3.34Å; I334-R336 PolarHBondContact O-N 2.91Å; R336-L339 PolarHBondContact O-N 3.48Å; R336-N340 WeakPolarHBondContact O-CB 3.39Å; R336-N340 PolarHBondContact O-N 3.06Å; R336-N340 PolarHBondContact O-ND2 2.69Å; R336-V367 HydrophobicContact CB-CG1 4.07Å; R336-V367 HydrophobicContact CB-CG2 4.5Å; R336-Q444 WeakPolarHBondContact CD-O 3.27Å; R336-Q444 VanDerWaalsContact CG-O 3.29Å; R336-Q444 WeakPolarHBondContact CG-O 3.08Å; R336-L445 HydrophobicContact CG-CB 4.28Å; R336-D446 IonicContact CZ-OD1 3.9Å; R336-D446 IonicContact NH1-OD1 3.43Å; R336-D446 PolarHBondContact NH1-OD1 3.21Å
337D85.2Confident78.2Confident14 Ų1441.7 Ų41.78%0.07521%0.206CC..Hα-helixtrans-64.6-49.8-177.9-65.5-19.5000110.3Q296 L299 H333 I334 L339 N340 Y341Q296-D337 WeakPolarHBondContact CG-OD2 3.23Å; Q296-D337 PolarHBondContact NE2-OD2 3.1Å; L299-D337 HydrophobicContact CD1-CB 4.12Å; H333-D337 WeakPolarHBondContact O-CB 3.28Å; H333-D337 PolarHBondContact O-N 3.37Å; I334-D337 PolarHBondContact O-N 2.94Å; D337-L339 VanDerWaalsContact C-N 3.32Å; D337-L339 PolarHBondContact O-N 3.27Å; D337-N340 WeakPolarHBondContact O-CB 3.34Å; D337-N340 PolarHBondContact O-N 2.84Å; D337-Y341 VanDerWaalsContact O-CD2 3.28Å; D337-Y341 WeakPolarHBondContact O-CD2 3.46Å; D337-Y341 PolarHBondContact O-N 3.33Å
338L86.9Confident79.1Confident0 Ų044.2 Ų44.20%022%0.223CC..Hα-helixtrans-53.9-47.1175.5-72.2173.4000112.3L283 V295 L299 P315 L316 A319 I334 N340 Y341 G342 A343L283-L338 HydrophobicContact CD1-CD2 4.34Å; L283-L338 HydrophobicContact CD2-CD2 4.21Å; L283-L338 HydrophobicContact CG-CD2 4.44Å; V295-L338 HydrophobicContact CG1-CD2 4.47Å; L299-L338 HydrophobicContact CD1-CD2 4.3Å; L299-L338 HydrophobicContact CD2-CD2 4.4Å; P315-L338 HydrophobicContact CB-CD2 4.11Å; L316-L338 HydrophobicContact CB-CD1 4.04Å; L316-L338 HydrophobicContact CD1-CB 4.49Å; L316-L338 HydrophobicContact CG-CD1 4.48Å; A319-L338 HydrophobicContact CB-CD1 4.38Å; I334-L338 HydrophobicContact CG2-CD1 3.94Å; I334-L338 HydrophobicContact CG2-CG 4.39Å; I334-L338 WeakPolarHBondContact O-CB 3.3Å; I334-L338 VanDerWaalsContact O-CG 3.28Å; I334-L338 WeakPolarHBondContact O-CG 3.21Å; I334-L338 PolarHBondContact O-N 3.43Å; L338-N340 VanDerWaalsContact C-N 3.32Å; L338-N340 PolarHBondContact O-N 3.35Å; L338-Y341 CarbonylContact O-C 3.57Å; L338-Y341 PolarHBondContact O-N 2.97Å; L338-G342 PolarHBondContact O-N 3.47Å; L338-A343 VanDerWaalsContact C-CB 3.46Å; L338-A343 HydrophobicContact CB-CB 3.86Å; L338-A343 WeakPolarHBondContact O-CB 3.29Å; L338-A343 PolarHBondContact O-N 2.83Å
339L85.9Confident80.4Confident9 Ų942.8 Ų42.85%0.04722%0.215CC..Hα-helixtrans-67.2-31.7178.9-70.6169.2000113L316 V335 R336 D337 Y341 G342 V367 L368 T371 R419 L445L316-L339 HydrophobicContact CD1-CD2 3.68Å; L316-L339 HydrophobicContact CD1-CG 3.96Å; V335-L339 HydrophobicContact CG1-CD1 3.81Å; V335-L339 HydrophobicContact CG1-CG 4.48Å; V335-L339 WeakPolarHBondContact O-CB 3.01Å; V335-L339 WeakPolarHBondContact O-CD1 3.17Å; V335-L339 WeakPolarHBondContact O-CG 3.4Å; V335-L339 PolarHBondContact O-N 3.21Å; R336-L339 PolarHBondContact O-N 3.48Å; D337-L339 VanDerWaalsContact C-N 3.32Å; D337-L339 PolarHBondContact O-N 3.27Å; L339-Y341 VanDerWaalsContact C-N 3.35Å; L339-G342 PolarHBondContact O-N 3.26Å; L339-V367 HydrophobicContact CD1-CG1 3.7Å; L339-L368 HydrophobicContact CD1-CD2 4.37Å; L339-T371 HydrophobicContact CD1-CG2 3.66Å; L339-T371 HydrophobicContact CD2-CG2 4.04Å; L339-T371 HydrophobicContact CG-CG2 4.3Å; L339-R419 PolarHBondContact O-NH2 2.91Å; L339-L445 HydrophobicContact CB-CD1 4.14Å; L339-L445 HydrophobicContact CD1-CD1 4.27Å
340N84.3Confident81.5Confident15 Ų1539 Ų398%0.0820%0.203CC..Hα-helixtrans-70.1-32.7175-75.7-23000112.4R336 D337 L338 G342 R419 L426 Q444R336-N340 WeakPolarHBondContact O-CB 3.39Å; R336-N340 PolarHBondContact O-N 3.06Å; R336-N340 PolarHBondContact O-ND2 2.69Å; D337-N340 WeakPolarHBondContact O-CB 3.34Å; D337-N340 PolarHBondContact O-N 2.84Å; L338-N340 VanDerWaalsContact C-N 3.32Å; L338-N340 PolarHBondContact O-N 3.35Å; N340-G342 PolarHBondContact O-N 3Å; N340-R419 PolarHBondContact OD1-NH1 3.01Å; N340-R419 PolarHBondContact OD1-NH2 3.3Å; N340-L426 HydrophobicContact CB-CD2 3.98Å; N340-Q444 PolarHBondContact ND2-O 3.21Å; N340-Q444 PolarHBondContact OD1-O 3.35Å
341Y82.6Confident82.1Confident83 Ų8337.4 Ų37.433%0.32519%0.192SC..THydrogen-bonded Turntrans-85.18.2173.2-76.3-96.9000113.5L299 D337 L338 L339 P427L299-Y341 HydrophobicContact CB-CD1 3.94Å; L299-Y341 HydrophobicContact CB-CD2 3.95Å; L299-Y341 HydrophobicContact CB-CE1 3.9Å; L299-Y341 HydrophobicContact CB-CE2 3.9Å; L299-Y341 HydrophobicContact CB-CG 3.96Å; L299-Y341 HydrophobicContact CD1-CD2 3.67Å; L299-Y341 HydrophobicContact CD1-CE2 4.12Å; L299-Y341 HydrophobicContact CD1-CG 4.06Å; L299-Y341 HydrophobicContact CD2-CD1 4.47Å; L299-Y341 HydrophobicContact CD2-CG 4.1Å; L299-Y341 HydrophobicContact CG-CD2 4.27Å; L299-Y341 HydrophobicContact CG-CG 4.26Å; L299-Y341 WeakPolarHBondContact O-CE1 3.37Å; D337-Y341 VanDerWaalsContact O-CD2 3.28Å; D337-Y341 WeakPolarHBondContact O-CD2 3.46Å; D337-Y341 PolarHBondContact O-N 3.33Å; L338-Y341 CarbonylContact O-C 3.57Å; L338-Y341 PolarHBondContact O-N 2.97Å; L339-Y341 VanDerWaalsContact C-N 3.35Å; Y341-P427 HydrophobicContact CD1-CG 3.83Å; Y341-P427 HydrophobicContact CD2-CG 4.29Å; Y341-P427 HydrophobicContact CE1-CB 4.18Å; Y341-P427 HydrophobicContact CE1-CG 3.83Å; Y341-P427 HydrophobicContact CE2-CG 4.32Å; Y341-P427 HydrophobicContact CG-CG 4.08Å
342G82.1Confident82.3Confident13 Ų1338 Ų3813%0.13420%0.196CC..THydrogen-bonded Turntrans89.129.4172.200000114.9N306 L338 L339 N340N306-G342 PolarHBondContact ND2-O 3Å; L338-G342 PolarHBondContact O-N 3.47Å; L339-G342 PolarHBondContact O-N 3.26Å; N340-G342 PolarHBondContact O-N 3Å
343A85.8Confident82.3Confident6 Ų644.9 Ų44.95%0.0523%0.225CC..PPolyproline II helixtrans-59.2139.6172.800000112.2A305 N306 L316 L338 R345A305-A343 HydrophobicContact CB-CB 4.32Å; N306-A343 WeakPolarHBondContact OD1-CA 3.36Å; L316-A343 HydrophobicContact CB-CB 4.41Å; L316-A343 HydrophobicContact CD1-CB 3.82Å; L338-A343 VanDerWaalsContact C-CB 3.46Å; L338-A343 HydrophobicContact CB-CB 3.86Å; L338-A343 WeakPolarHBondContact O-CB 3.29Å; L338-A343 PolarHBondContact O-N 2.83Å; A343-R345 PolarHBondContact O-N 3.41Å
344V83.4Confident82.2Confident86 Ų8642.9 Ų42.952%0.52122%0.217SC..PPolyproline II helixtrans-61.5130.8175.5176.70000109.3N306N306-V344 HydrophobicContact CB-CG2 4.4Å; N306-V344 WeakPolarHBondContact OD1-CG2 3.29Å; N306-V344 PolarHBondContact OD1-N 2.98Å
345R82.4Confident81.9Confident104 Ų10443 Ų4339%0.39222%0.217SC..PPolyproline II helixtrans-60.5148177.6-66174.8-76.5-93.8-3.1110.8A343 Y372A343-R345 PolarHBondContact O-N 3.41Å; R345-Y372 HydrophobicContact CB-CE1 4.41Å
346V82.3Confident81.6Confident8 Ų847.1 Ų47.15%0.04824%0.239CC..PPolyproline II helixtrans-61.1145.7174.2-1750000109.7L316 L320 A350 L351 V354 L368 Y372L316-V346 HydrophobicContact CD2-CG2 3.35Å; L320-V346 HydrophobicContact CD1-CG2 3.63Å; V346-A350 HydrophobicContact CG1-CB 3.94Å; V346-L351 HydrophobicContact CB-CD2 4.44Å; V346-V354 HydrophobicContact CG1-CG2 4.45Å; V346-L368 HydrophobicContact CG2-CD2 4.13Å; V346-Y372 VanDerWaalsContact C-OH 3.26Å; V346-Y372 WeakPolarHBondContact CA-OH 3.43Å; V346-Y372 WeakPolarHBondContact CB-OH 3.42Å; V346-Y372 PolarHBondContact N-OH 3.35Å; V346-Y372 PolarHBondContact O-OH 3.27Å
347W78.2Confident81.2Confident185 Ų18549.9 Ų49.970%0.70125%0.25SC*.PPolyproline II helixtrans-65.1132.7174.4-177.474.4000110.7G349 A350W347-G349 VanDerWaalsContact C-N 3.31Å; W347-G349 VanDerWaalsContact CE3-N 3.29Å; W347-G349 PolarHBondContact O-N 3.48Å; W347-G349 VanDerWaalsContact O-N 3.16Å; W347-A350 HydrophobicContact CE3-CB 4.25Å; W347-A350 VanDerWaalsContact CE3-N 3.28Å; W347-A350 WeakPolarHBondContact O-CB 3.49Å; W347-A350 PolarHBondContact O-N 2.84Å
348P74.2Confident80.7Confident60 Ų6049.9 Ų49.939%0.3925%0.249SC..G310 helixtrans-54.5-37.5-172.5-30.336000115.5A350 L351 Y372P348-A350 PolarHBondContact O-N 2.95Å; P348-L351 HydrophobicContact CB-CD1 4.41Å; P348-L351 WeakPolarHBondContact O-CB 3.47Å; P348-L351 WeakPolarHBondContact O-CD1 3.31Å; P348-L351 VanDerWaalsContact O-CG 3.23Å; P348-L351 WeakPolarHBondContact O-CG 3.36Å; P348-L351 PolarHBondContact O-N 3.4Å; P348-L351 VanDerWaalsContact O-N 3.16Å; P348-Y372 HydrophobicContact CG-CE1 4.29Å
349G75.5Confident80Confident39 Ų3950.5 Ų50.540%0.40225%0.253SS..G310 helixtrans-78.6-3.117800000114.6W347 P352W347-G349 VanDerWaalsContact C-N 3.31Å; W347-G349 VanDerWaalsContact CE3-N 3.29Å; W347-G349 PolarHBondContact O-N 3.48Å; W347-G349 VanDerWaalsContact O-N 3.16Å; G349-P352 WeakPolarHBondContact O-CD 3.4Å
350A79.7Confident79.3Confident31 Ų3156.5 Ų56.526%0.25628%0.282SS..G310 helixtrans-89.8-12.1167.400000112.2V346 W347 P348 P352 K353 V354V346-A350 HydrophobicContact CG1-CB 3.94Å; W347-A350 HydrophobicContact CE3-CB 4.25Å; W347-A350 VanDerWaalsContact CE3-N 3.28Å; W347-A350 WeakPolarHBondContact O-CB 3.49Å; W347-A350 PolarHBondContact O-N 2.84Å; P348-A350 PolarHBondContact O-N 2.95Å; A350-P352 VanDerWaalsContact C-CD 3.43Å; A350-P352 VanDerWaalsContact C-N 3.35Å; A350-K353 PolarHBondContact O-N 2.89Å; A350-K353 VanDerWaalsContact O-N 3.14Å; A350-V354 PolarHBondContact O-N 2.77Å
351L79.2Confident79Confident1 Ų156.7 Ų56.71%0.00529%0.285CS..Hα-helixtrans-55.7-39177-64.4173.7000113.7V346 P348 K353 V354 L355 M369 Y372 L377V346-L351 HydrophobicContact CB-CD2 4.44Å; P348-L351 HydrophobicContact CB-CD1 4.41Å; P348-L351 WeakPolarHBondContact O-CB 3.47Å; P348-L351 WeakPolarHBondContact O-CD1 3.31Å; P348-L351 VanDerWaalsContact O-CG 3.23Å; P348-L351 WeakPolarHBondContact O-CG 3.36Å; P348-L351 PolarHBondContact O-N 3.4Å; P348-L351 VanDerWaalsContact O-N 3.16Å; L351-K353 VanDerWaalsContact C-N 3.32Å; L351-K353 PolarHBondContact O-N 3.34Å; L351-V354 PolarHBondContact O-N 3.31Å; L351-V354 VanDerWaalsContact O-N 3.17Å; L351-L355 WeakPolarHBondContact O-CG 3.4Å; L351-L355 PolarHBondContact O-N 3.27Å; L351-M369 HydrophobicContact CB-CE 4.33Å; L351-M369 HydrophobicContact CD1-CE 4.3Å; L351-M369 HydrophobicContact CD2-CE 3.9Å; L351-M369 HydrophobicContact CG-CE 4.41Å; L351-Y372 HydrophobicContact CD1-CE2 4.33Å; L351-Y372 HydrophobicContact CD2-CE2 4.01Å; L351-L377 HydrophobicContact CB-CD2 4.06Å
352P79.3Confident78.8Confident21 Ų2153.4 Ų53.414%0.13627%0.274CS..Hα-helixtrans-60.3-39.2176.4-24.835.8000113.2G349 A350 V354 L355 D356 P378 L384G349-P352 WeakPolarHBondContact O-CD 3.4Å; A350-P352 VanDerWaalsContact C-CD 3.43Å; A350-P352 VanDerWaalsContact C-N 3.35Å; P352-V354 VanDerWaalsContact C-N 3.32Å; P352-V354 PolarHBondContact O-N 2.86Å; P352-L355 PolarHBondContact O-N 3.47Å; P352-D356 PolarHBondContact O-N 3.38Å; P352-P378 HydrophobicContact CB-CG 4.39Å; P352-P378 HydrophobicContact CG-CG 3.66Å; P352-L384 HydrophobicContact CB-CD1 3.94Å
353K80.3Confident78.6Confident167 Ų16757.8 Ų57.873%0.72629%0.286SS*.Hα-helixtrans-67.5-35.3176.9-64.4-176.4177.6-178.10112A350 L351 R357A350-K353 PolarHBondContact O-N 2.89Å; A350-K353 VanDerWaalsContact O-N 3.14Å; L351-K353 VanDerWaalsContact C-N 3.32Å; L351-K353 PolarHBondContact O-N 3.34Å; K353-R357 WeakPolarHBondContact O-CB 3.15Å; K353-R357 PolarHBondContact O-N 3.19Å
354V80.4Confident78.4Confident15 Ų1557.5 Ų57.59%0.09128%0.284CS..Hα-helixtrans-68.4-41.4175178.30000110.3L320 V346 A350 L351 P352 R357 W358 L368L320-V354 HydrophobicContact CD1-CG1 4.44Å; L320-V354 HydrophobicContact CD1-CG2 4.09Å; L320-V354 HydrophobicContact CD2-CG1 4.27Å; V346-V354 HydrophobicContact CG1-CG2 4.45Å; A350-V354 PolarHBondContact O-N 2.77Å; L351-V354 PolarHBondContact O-N 3.31Å; L351-V354 VanDerWaalsContact O-N 3.17Å; P352-V354 VanDerWaalsContact C-N 3.32Å; P352-V354 PolarHBondContact O-N 2.86Å; V354-R357 PolarHBondContact O-N 3.38Å; V354-W358 VanDerWaalsContact O-CB 3.29Å; V354-W358 WeakPolarHBondContact O-CB 3.44Å; V354-W358 PolarHBondContact O-N 2.94Å; V354-L368 HydrophobicContact CG1-CD1 3.67Å
355L78.7Confident78.3Confident3 Ų353.5 Ų53.52%0.01626%0.259CS..Hα-helixtrans-62.2-44.5176.6-73.4175.1000112.6L351 P352 C359 I365 M369 L377 A381 L400L351-L355 WeakPolarHBondContact O-CG 3.4Å; L351-L355 PolarHBondContact O-N 3.27Å; P352-L355 PolarHBondContact O-N 3.47Å; L355-C359 WeakPolarHBondContact O-CA 3.4Å; L355-C359 WeakPolarHBondContact O-CB 3.35Å; L355-C359 PolarHBondContact O-N 3.13Å; L355-I365 HydrophobicContact CD2-CB 4.44Å; L355-I365 HydrophobicContact CD2-CD1 3.76Å; L355-I365 HydrophobicContact CD2-CG1 4.05Å; L355-I365 HydrophobicContact CD2-CG2 3.51Å; L355-M369 HydrophobicContact CD2-CE 4.21Å; L355-M369 HydrophobicContact CG-CE 4.48Å; L355-L377 HydrophobicContact CD1-CD1 3.95Å; L355-L377 HydrophobicContact CD1-CD2 3.48Å; L355-L377 VanDerWaalsContact CD1-CD2 3.48Å; L355-L377 HydrophobicContact CD1-CG 4.34Å; L355-A381 HydrophobicContact CD1-CB 4.36Å; L355-L400 HydrophobicContact CD2-CD1 4.46Å
356D80Confident78.3Confident90 Ų9048.6 Ų48.648%0.48124%0.241SC..Hα-helixtrans-58.6-48.6177.1-176.946.9000111.1P352 C359 L384P352-D356 PolarHBondContact O-N 3.38Å; D356-C359 PolarHBondContact O-SG 3.36Å; D356-L384 HydrophobicContact CB-CB 4.37Å
357R78.1Confident78.3Confident97 Ų9748.2 Ų48.237%0.36624%0.239SC..Hα-helixtrans-74-36.5-177-171.8170.8-177.2156.2-0.8114.4L321 G322 T324 K353 V354L321-R357 VanDerWaalsContact C-NH2 3.28Å; L321-R357 PolarHBondContact O-NH1 3.44Å; L321-R357 PolarHBondContact O-NH2 3.15Å; G322-R357 PolarHBondContact O-NH2 3.27Å; T324-R357 HydrophobicContact CG2-CG 4.47Å; K353-R357 WeakPolarHBondContact O-CB 3.15Å; K353-R357 PolarHBondContact O-N 3.19Å; V354-R357 PolarHBondContact O-N 3.38Å
358W74.9Confident78.5Confident14 Ų1439.5 Ų39.55%0.05321%0.206CC..THydrogen-bonded Turntrans-106.219.1-173.5-65.797.5000113.4A319 L320 L327 P331 V354 M360 S361 I365A319-W358 WeakPolarHBondContact O-CZ2 3.22Å; L320-W358 PolarHBondContact O-NE1 3.39Å; L327-W358 HydrophobicContact CB-CH2 3.68Å; L327-W358 HydrophobicContact CB-CZ3 4.22Å; L327-W358 HydrophobicContact CD1-CH2 3.55Å; L327-W358 HydrophobicContact CD1-CZ2 3.91Å; L327-W358 HydrophobicContact CD2-CH2 4.41Å; L327-W358 HydrophobicContact CG-CH2 4.05Å; P331-W358 HydrophobicContact CB-CH2 3.81Å; P331-W358 HydrophobicContact CB-CZ3 3.79Å; P331-W358 HydrophobicContact CG-CE3 4.26Å; P331-W358 HydrophobicContact CG-CH2 4.11Å; P331-W358 HydrophobicContact CG-CZ3 3.55Å; V354-W358 VanDerWaalsContact O-CB 3.29Å; V354-W358 WeakPolarHBondContact O-CB 3.44Å; V354-W358 PolarHBondContact O-N 2.94Å; W358-M360 PolarHBondContact O-N 2.69Å; W358-M360 VanDerWaalsContact O-N 3.11Å; W358-S361 VanDerWaalsContact CE3-OG 3.27Å; W358-S361 CarbonylContact O-C 3.55Å; W358-S361 PolarHBondContact O-N 3.17Å; W358-S361 PolarHBondContact O-OG 3.38Å; W358-I365 HydrophobicContact CB-CG1 4.41Å; W358-I365 WeakPolarHBondContact O-CD1 3.45Å
359C73.4Confident78.8Confident13 Ų1336.8 Ų36.89%0.08819%0.188CC..THydrogen-bonded Turntrans-54.9-30.7178.256.70000113L355 D356 S361 V385 I389 Y397L355-C359 WeakPolarHBondContact O-CA 3.4Å; L355-C359 WeakPolarHBondContact O-CB 3.35Å; L355-C359 PolarHBondContact O-N 3.13Å; D356-C359 PolarHBondContact O-SG 3.36Å; C359-S361 VanDerWaalsContact C-N 3.29Å; C359-S361 PolarHBondContact O-N 3.31Å; C359-V385 HydrophobicContact CB-CG1 4.31Å; C359-I389 HydrophobicContact CB-CD1 3.83Å; C359-I389 VanDerWaalsContact O-CG2 3.26Å; C359-I389 WeakPolarHBondContact O-CG2 3.42Å; C359-I389 WeakPolarHBondContact SG-CD1 3.43Å; C359-Y397 WeakPolarHBondContact CA-OH 3.38Å; C359-Y397 PolarHBondContact O-OH 3.42Å
360M71.4Confident79.1Confident135 Ų13535.2 Ų35.267%0.66517%0.17SC*.THydrogen-bonded Turntrans-72.9-15.3177.2-64.1-59.7-6200114.3W358 I389W358-M360 PolarHBondContact O-N 2.69Å; W358-M360 VanDerWaalsContact O-N 3.11Å; M360-I389 HydrophobicContact CG-CD1 4.16Å; M360-I389 HydrophobicContact SD-CD1 3.23Å; M360-I389 WeakPolarHBondContact SD-CD1 3.44Å; M360-I389 HydrophobicContact SD-CG1 3.74Å
361S76.8Confident79.1Confident19 Ų1934.2 Ų34.213%0.13316%0.161CC..  trans-123.382.7-178.464.80000111W358 C359 R363 T364W358-S361 VanDerWaalsContact CE3-OG 3.27Å; W358-S361 CarbonylContact O-C 3.55Å; W358-S361 PolarHBondContact O-N 3.17Å; W358-S361 PolarHBondContact O-OG 3.38Å; C359-S361 VanDerWaalsContact C-N 3.29Å; C359-S361 PolarHBondContact O-N 3.31Å; S361-R363 PolarHBondContact O-N 3.47Å; S361-T364 PolarHBondContact O-N 3.21Å; S361-T364 PolarHBondContact OG-OG1 3.23Å
362P77.8Confident79.1Confident14 Ų1435.1 Ų35.19%0.09117%0.165CC..Hα-helixtrans-60.9-30.5-178.224.3-34000112.5T364 I365 E366 F396P362-T364 PolarHBondContact O-N 2.54Å; P362-I365 WeakPolarHBondContact O-CB 3.49Å; P362-I365 PolarHBondContact O-N 3.48Å; P362-E366 PolarHBondContact O-N 3.11Å; P362-F396 HydrophobicContact CB-CD1 3.66Å; P362-F396 HydrophobicContact CB-CE1 3.81Å; P362-F396 HydrophobicContact CB-CG 4.04Å; P362-F396 HydrophobicContact CB-CZ 4.32Å; P362-F396 VanDerWaalsContact O-CZ 3.25Å; P362-F396 WeakPolarHBondContact O-CZ 3.34Å
363R79.5Confident79Confident106 Ų10641.4 Ų41.440%0.419%0.186SC..Hα-helixtrans-61.9-41.9178.3-72.8-175.5177.1174.4-0.6113.8E332 S361 I365 E366 V367 F447 D449E332-R363 HydrophobicContact CB-CB 4.08Å; E332-R363 HydrophobicContact CG-CB 4.15Å; S361-R363 PolarHBondContact O-N 3.47Å; R363-I365 VanDerWaalsContact C-N 3.31Å; R363-I365 PolarHBondContact O-N 3.41Å; R363-E366 WeakPolarHBondContact O-CB 3.34Å; R363-E366 PolarHBondContact O-N 3.25Å; R363-V367 WeakPolarHBondContact O-CG2 3.33Å; R363-V367 PolarHBondContact O-N 3.05Å; R363-V367 VanDerWaalsContact O-N 3.07Å; R363-F447 HydrophobicContact CB-CD1 3.63Å; R363-F447 HydrophobicContact CB-CE1 3.58Å; R363-F447 HydrophobicContact CB-CG 4.49Å; R363-F447 HydrophobicContact CB-CZ 4.43Å; R363-F447 HydrophobicContact CG-CD1 3.74Å; R363-F447 HydrophobicContact CG-CE1 4.17Å; R363-F447 HydrophobicContact CG-CG 4.2Å; R363-D449 IonicContact NE-OD1 3.76Å; R363-D449 PolarHBondContact NE-OD1 3.32Å; R363-D449 IonicContact NH2-OD2 2.71Å
364T81.8Confident78.8Confident0 Ų038.1 Ų38.10%018%0.179CC..Hα-helixtrans-63.1-41.4175.6-48.30000110.9L320 V335 S361 P362 L368L320-T364 HydrophobicContact CD2-CG2 4.4Å; V335-T364 HydrophobicContact CB-CG2 4.46Å; V335-T364 HydrophobicContact CG2-CG2 3.91Å; S361-T364 PolarHBondContact O-N 3.21Å; S361-T364 PolarHBondContact OG-OG1 3.23Å; P362-T364 PolarHBondContact O-N 2.54Å; T364-L368 WeakPolarHBondContact O-CG 3.41Å; T364-L368 PolarHBondContact O-N 2.71Å
365I80.9Confident78.4Confident1 Ų137.8 Ų37.81%0.00518%0.177CC..Hα-helixtrans-65.3-43.2176.1-60.6166.4000109.8L355 W358 P362 R363 V367 L368 M369 F396 Y397 L400L355-I365 HydrophobicContact CD2-CB 4.44Å; L355-I365 HydrophobicContact CD2-CD1 3.76Å; L355-I365 HydrophobicContact CD2-CG1 4.05Å; L355-I365 HydrophobicContact CD2-CG2 3.51Å; W358-I365 HydrophobicContact CB-CG1 4.41Å; W358-I365 WeakPolarHBondContact O-CD1 3.45Å; P362-I365 WeakPolarHBondContact O-CB 3.49Å; P362-I365 PolarHBondContact O-N 3.48Å; R363-I365 VanDerWaalsContact C-N 3.31Å; R363-I365 PolarHBondContact O-N 3.41Å; I365-V367 PolarHBondContact O-N 2.72Å; I365-L368 PolarHBondContact O-N 3.33Å; I365-M369 HydrophobicContact CG2-CE 4.09Å; I365-M369 HydrophobicContact CG2-CG 3.85Å; I365-M369 WeakPolarHBondContact O-CB 3.08Å; I365-M369 WeakPolarHBondContact O-CG 3.39Å; I365-M369 PolarHBondContact O-N 2.91Å; I365-F396 HydrophobicContact CB-CE1 4.23Å; I365-F396 HydrophobicContact CB-CZ 4Å; I365-F396 HydrophobicContact CG2-CE1 4.12Å; I365-F396 HydrophobicContact CG2-CZ 3.89Å; I365-Y397 HydrophobicContact CD1-CE1 4.39Å; I365-L400 HydrophobicContact CG2-CD1 3.6Å
366E81.8Confident77.9Confident1 Ų144.9 Ų44.91%0.00521%0.21CC..Hα-helixtrans-55-51.4178.1-167.1-171.5154.500111.4P362 R363 L368 M369 N370 F396 E448 D449 L451P362-E366 PolarHBondContact O-N 3.11Å; R363-E366 WeakPolarHBondContact O-CB 3.34Å; R363-E366 PolarHBondContact O-N 3.25Å; E366-L368 VanDerWaalsContact C-N 3.34Å; E366-L368 PolarHBondContact O-N 3.41Å; E366-M369 PolarHBondContact O-N 3.13Å; E366-N370 VanDerWaalsContact O-CB 3.25Å; E366-N370 WeakPolarHBondContact O-CB 3.5Å; E366-N370 VanDerWaalsContact O-CG 3.23Å; E366-N370 PolarHBondContact O-N 3.09Å; E366-N370 PolarHBondContact O-ND2 3.02Å; E366-F396 HydrophobicContact CB-CE2 3.69Å; E366-F396 HydrophobicContact CB-CZ 4.17Å; E366-F396 HydrophobicContact CG-CE2 4.02Å; E366-E448 PolarHBondContact OE1-N 2.89Å; E366-D449 PolarHBondContact OE2-N 3.16Å; E366-L451 HydrophobicContact CB-CD2 4.36Å; E366-L451 HydrophobicContact CG-CD2 3.56Å; E366-L451 HydrophobicContact CG-CG 4.03Å
367V81.9Confident77.5Confident1 Ų141.2 Ų41.21%0.00619%0.191CC..Hα-helixtrans-59.8-44.6-179.7171.40000111.2V335 R336 L339 R363 I365 N370 L445 F447V335-V367 HydrophobicContact CG1-CG1 4.02Å; R336-V367 HydrophobicContact CB-CG1 4.07Å; R336-V367 HydrophobicContact CB-CG2 4.5Å; L339-V367 HydrophobicContact CD1-CG1 3.7Å; R363-V367 WeakPolarHBondContact O-CG2 3.33Å; R363-V367 PolarHBondContact O-N 3.05Å; R363-V367 VanDerWaalsContact O-N 3.07Å; I365-V367 PolarHBondContact O-N 2.72Å; V367-N370 PolarHBondContact O-N 3.4Å; V367-L445 HydrophobicContact CG1-CB 4.41Å; V367-L445 HydrophobicContact CG1-CD1 4.12Å; V367-F447 HydrophobicContact CG2-CD1 4.09Å; V367-F447 HydrophobicContact CG2-CE1 3.37Å; V367-F447 HydrophobicContact CG2-CZ 4.05Å
368L82.9Confident77.2Confident2 Ų239.4 Ų39.41%0.0119%0.191CC..Hα-helixtrans-63.8-51.2177.1-71.5171.6000111.4L320 V335 L339 V346 V354 T364 I365 E366 N370 T371 Y372L320-L368 HydrophobicContact CD1-CD1 4.33Å; L320-L368 HydrophobicContact CD2-CD1 4.08Å; V335-L368 HydrophobicContact CG1-CD2 3.63Å; V335-L368 HydrophobicContact CG1-CG 3.92Å; L339-L368 HydrophobicContact CD1-CD2 4.37Å; V346-L368 HydrophobicContact CG2-CD2 4.13Å; V354-L368 HydrophobicContact CG1-CD1 3.67Å; T364-L368 WeakPolarHBondContact O-CG 3.41Å; T364-L368 PolarHBondContact O-N 2.71Å; I365-L368 PolarHBondContact O-N 3.33Å; E366-L368 VanDerWaalsContact C-N 3.34Å; E366-L368 PolarHBondContact O-N 3.41Å; L368-N370 PolarHBondContact O-N 2.92Å; L368-T371 PolarHBondContact O-N 2.97Å; L368-T371 PolarHBondContact O-OG1 3.38Å; L368-Y372 WeakPolarHBondContact O-CD2 3.11Å; L368-Y372 VanDerWaalsContact O-CE2 3.28Å; L368-Y372 WeakPolarHBondContact O-CE2 3.48Å
369M81.4Confident76.8Confident3 Ų344.2 Ų44.22%0.01521%0.214CC..Hα-helixtrans-62.3-30.2-178.6-66.5-58.3154.100111.6L351 L355 I365 E366 T371 Y372 V375 L400 R408 L451L351-M369 HydrophobicContact CB-CE 4.33Å; L351-M369 HydrophobicContact CD1-CE 4.3Å; L351-M369 HydrophobicContact CD2-CE 3.9Å; L351-M369 HydrophobicContact CG-CE 4.41Å; L355-M369 HydrophobicContact CD2-CE 4.21Å; L355-M369 HydrophobicContact CG-CE 4.48Å; I365-M369 HydrophobicContact CG2-CE 4.09Å; I365-M369 HydrophobicContact CG2-CG 3.85Å; I365-M369 WeakPolarHBondContact O-CB 3.08Å; I365-M369 WeakPolarHBondContact O-CG 3.39Å; I365-M369 PolarHBondContact O-N 2.91Å; E366-M369 PolarHBondContact O-N 3.13Å; M369-T371 PolarHBondContact O-N 3.2Å; M369-Y372 PolarHBondContact O-N 3.46Å; M369-V375 HydrophobicContact SD-CG1 3.78Å; M369-V375 HydrophobicContact SD-CG2 4.05Å; M369-L400 HydrophobicContact CG-CD1 4.07Å; M369-R408 PolarHBondContact O-NH2 3.13Å; M369-L451 HydrophobicContact CB-CD1 4.17Å; M369-L451 HydrophobicContact CB-CD2 4.24Å
370N81.2Confident76.4Confident5 Ų551.3 Ų51.33%0.02725%0.247CC..THydrogen-bonded Turntrans-69-8.7177.3-82.1-26000114.2E366 V367 L368 H412 L445 L451E366-N370 VanDerWaalsContact O-CB 3.25Å; E366-N370 WeakPolarHBondContact O-CB 3.5Å; E366-N370 VanDerWaalsContact O-CG 3.23Å; E366-N370 PolarHBondContact O-N 3.09Å; E366-N370 PolarHBondContact O-ND2 3.02Å; V367-N370 PolarHBondContact O-N 3.4Å; L368-N370 PolarHBondContact O-N 2.92Å; N370-H412 PolarHBondContact O-CE1 3.37Å; N370-H412 VanDerWaalsContact O-CE1 3.28Å; N370-L445 HydrophobicContact CB-CD2 3.87Å; N370-L451 VanDerWaalsContact OD1-CD2 3.23Å; N370-L451 WeakPolarHBondContact OD1-CD2 3.4Å
371T78.6Confident76.1Confident11 Ų1145 Ų457%0.06722%0.215CC..THydrogen-bonded Turntrans-91.4-11.2175.568.20000114.4L339 L368 M369 W416 L445L339-T371 HydrophobicContact CD1-CG2 3.66Å; L339-T371 HydrophobicContact CD2-CG2 4.04Å; L339-T371 HydrophobicContact CG-CG2 4.3Å; L368-T371 PolarHBondContact O-N 2.97Å; L368-T371 PolarHBondContact O-OG1 3.38Å; M369-T371 PolarHBondContact O-N 3.2Å; T371-W416 PolarHBondContact O-NE1 3.49Å; T371-L445 HydrophobicContact CG2-CD1 4.11Å
372Y79.3Confident75.6Confident19 Ų1948.1 Ų48.18%0.07523%0.227CC..  trans-100.6131.7-177.2-62.9-88.6000111.7R345 V346 P348 L351 L368 M369 H412R345-Y372 HydrophobicContact CB-CE1 4.41Å; V346-Y372 VanDerWaalsContact C-OH 3.26Å; V346-Y372 WeakPolarHBondContact CA-OH 3.43Å; V346-Y372 WeakPolarHBondContact CB-OH 3.42Å; V346-Y372 PolarHBondContact N-OH 3.35Å; V346-Y372 PolarHBondContact O-OH 3.27Å; P348-Y372 HydrophobicContact CG-CE1 4.29Å; L351-Y372 HydrophobicContact CD1-CE2 4.33Å; L351-Y372 HydrophobicContact CD2-CE2 4.01Å; L368-Y372 WeakPolarHBondContact O-CD2 3.11Å; L368-Y372 VanDerWaalsContact O-CE2 3.28Å; L368-Y372 WeakPolarHBondContact O-CE2 3.48Å; M369-Y372 PolarHBondContact O-N 3.46Å; Y372-H412 PolarHBondContact O-NE2 2.94Å
373R77.9Confident75.1Confident154 Ų15450.9 Ų50.958%0.58126%0.258SS*.SBendtrans-65.9-38.9171.3-178.2-179.2170.3-176.8-2112.3L413 W416R373-L413 HydrophobicContact CG-CD2 4.15Å; R373-W416 HydrophobicContact CB-CD2 4.14Å; R373-W416 HydrophobicContact CB-CG 4.47Å; R373-W416 HydrophobicContact CB-CZ2 4.19Å
374V75.5Confident74.8Confident97 Ų9748.7 Ų48.759%0.58825%0.253SS*.SBendtrans-133126.6178.8-176.80000107.6Q376V374-Q376 HydrophobicContact CG1-CG 4.2Å
375V72.3Confident74.4Confident9 Ų949 Ų496%0.05526%0.255CS..  trans-101.7111.2177176.10000107.9M369 L377M369-V375 HydrophobicContact SD-CG1 3.78Å; M369-V375 HydrophobicContact SD-CG2 4.05Å; V375-L377 HydrophobicContact CG1-CD1 3.85Å; V375-L377 HydrophobicContact CG1-CG 3.76Å
376Q68.8Low74.3Confident151 Ų15151.4 Ų51.471%0.70627%0.271SS*.  trans-104104.5172.3-67.3-176.3-7.800108V374V374-Q376 HydrophobicContact CG1-CG 4.2Å
377L71.3Confident73.8Confident13 Ų1355.8 Ų55.87%0.06830%0.3CS..  trans-107.1133.9172.9-70.3167.9000108.7L351 L355 V375 A381 L400 V404L351-L377 HydrophobicContact CB-CD2 4.06Å; L355-L377 HydrophobicContact CD1-CD1 3.95Å; L355-L377 HydrophobicContact CD1-CD2 3.48Å; L355-L377 VanDerWaalsContact CD1-CD2 3.48Å; L355-L377 HydrophobicContact CD1-CG 4.34Å; V375-L377 HydrophobicContact CG1-CD1 3.85Å; V375-L377 HydrophobicContact CG1-CG 3.76Å; L377-A381 HydrophobicContact CB-CB 4.32Å; L377-L400 HydrophobicContact CD1-CD2 3.5Å; L377-L400 VanDerWaalsContact CD1-CD2 3.5Å; L377-L400 HydrophobicContact CD1-CG 4.29Å; L377-V404 HydrophobicContact CB-CG2 4.11Å
378P71.5Confident73.6Confident59 Ų5962.4 Ų62.438%0.38333%0.331SS..  trans-62.1148.6173.326-31.4000110P352 E380 A381P352-P378 HydrophobicContact CB-CG 4.39Å; P352-P378 HydrophobicContact CG-CG 3.66Å; P378-E380 PolarHBondContact O-N 2.82Å; P378-E380 VanDerWaalsContact O-N 3.13Å; P378-A381 HydrophobicContact CG-CB 4.41Å; P378-A381 WeakPolarHBondContact O-CB 3.49Å; P378-A381 PolarHBondContact O-N 3.4Å
379E66.2Low73.2Confident115 Ų11562.9 Ų62.954%0.53733%0.333SS..G310 helixtrans-59.4-26.2179.5-72.8-68.7163.600112.5A381 K382E379-A381 PolarHBondContact O-N 3.12Å; E379-K382 PolarHBondContact O-N 3.36Å; E379-K382 IonicContact OE2-NZ 3.84Å; E379-K382 PolarHBondContact OE2-NZ 2.71Å
380E65.4Low72.9Confident163 Ų16365.2 Ų65.276%0.76235%0.345SS*.G310 helixtrans-61-21.9172.8-63.4174.1-173.100113.2P378 K382 G383P378-E380 PolarHBondContact O-N 2.82Å; P378-E380 VanDerWaalsContact O-N 3.13Å; E380-K382 PolarHBondContact O-N 3.02Å; E380-K382 VanDerWaalsContact O-N 3.17Å; E380-G383 PolarHBondContact O-N 2.93Å
381A66.3Low72.6Confident1 Ų172.5 Ų72.51%0.00838%0.379CS..G310 helixtrans-64.7-20.4-179.400000113.7L355 L377 P378 E379 G383 L384L355-A381 HydrophobicContact CD1-CB 4.36Å; L377-A381 HydrophobicContact CB-CB 4.32Å; P378-A381 HydrophobicContact CG-CB 4.41Å; P378-A381 WeakPolarHBondContact O-CB 3.49Å; P378-A381 PolarHBondContact O-N 3.4Å; E379-A381 PolarHBondContact O-N 3.12Å; A381-G383 VanDerWaalsContact C-N 3.3Å; A381-L384 HydrophobicContact CB-CD1 4.49Å; A381-L384 PolarHBondContact O-N 3.38Å
382K65.4Low72.6Confident86 Ų8679.3 Ų79.337%0.37441%0.408SS..G310 helixtrans-69-29.3173.4-69.5173.7-177.2151.50112.7E379 E380 F401E379-K382 PolarHBondContact O-N 3.36Å; E379-K382 IonicContact OE2-NZ 3.84Å; E379-K382 PolarHBondContact OE2-NZ 2.71Å; E380-K382 PolarHBondContact O-N 3.02Å; E380-K382 VanDerWaalsContact O-N 3.17Å; K382-F401 HydrophobicContact CB-CE1 4.47Å; K382-F401 HydrophobicContact CB-CZ 4.33Å; K382-F401 HydrophobicContact CG-CD1 3.82Å; K382-F401 HydrophobicContact CG-CD2 4.28Å; K382-F401 HydrophobicContact CG-CE1 3.67Å; K382-F401 HydrophobicContact CG-CE2 4.14Å; K382-F401 HydrophobicContact CG-CG 4.14Å; K382-F401 HydrophobicContact CG-CZ 3.85Å
383G66.6Low72.5Confident72 Ų7282.1 Ų82.174%0.74242%0.422SS*.THydrogen-bonded Turntrans-81.4-14.8177.900000113.8E380 A381E380-G383 PolarHBondContact O-N 2.93Å; A381-G383 VanDerWaalsContact C-N 3.3Å
384L73.5Confident72.3Confident59 Ų5978.8 Ų78.831%0.30942%0.421SS..SBendtrans-78.4-19.5-179.6-63.1176.5000113.1P352 D356 A381 P386P352-L384 HydrophobicContact CB-CD1 3.94Å; D356-L384 HydrophobicContact CB-CB 4.37Å; A381-L384 HydrophobicContact CB-CD1 4.49Å; A381-L384 PolarHBondContact O-N 3.38Å; L384-P386 WeakPolarHBondContact O-CD 3.43Å
385V74.1Confident72.3Confident6 Ų675.8 Ų75.84%0.03641%0.409CS..SBendtrans-96.3120.3-179.5-172.40000109.5C359 I389 L390 Y397C359-V385 HydrophobicContact CB-CG1 4.31Å; V385-I389 HydrophobicContact CG1-CB 4.14Å; V385-I389 HydrophobicContact CG1-CG2 4.14Å; V385-L390 HydrophobicContact CB-CD1 4.46Å; V385-L390 HydrophobicContact CB-CD2 4.07Å; V385-L390 HydrophobicContact CB-CG 4.12Å; V385-L390 HydrophobicContact CG1-CD2 3.79Å; V385-L390 HydrophobicContact CG1-CG 3.77Å; V385-Y397 HydrophobicContact CG1-CE1 4.18Å; V385-Y397 HydrophobicContact CG1-CE2 4.35Å; V385-Y397 HydrophobicContact CG2-CD1 4.36Å; V385-Y397 HydrophobicContact CG2-CE1 3.98Å
386P77.4Confident72.7Confident53 Ų5375.8 Ų75.834%0.34441%0.409SS..  trans-52.5140.1175.2-26.530.1000112.6L384 E388 I389 L390L384-P386 WeakPolarHBondContact O-CD 3.43Å; P386-E388 PolarHBondContact O-N 3.49Å; P386-E388 VanDerWaalsContact O-N 3.15Å; P386-I389 HydrophobicContact CB-CD1 4.13Å; P386-I389 HydrophobicContact CB-CG1 4.23Å; P386-I389 HydrophobicContact CG-CD1 3.82Å; P386-I389 HydrophobicContact CG-CG1 4.46Å; P386-I389 PolarHBondContact O-N 2.9Å; P386-L390 PolarHBondContact O-N 2.98Å
387P72.4Confident73.1Confident93 Ų9368.8 Ų68.860%0.60438%0.376SS*.Hα-helixtrans-61.4-28.2-177.324.5-33.8000113I389 L390 Q391P387-I389 VanDerWaalsContact C-N 3.35Å; P387-I389 PolarHBondContact O-N 3.23Å; P387-L390 PolarHBondContact O-N 3.41Å; P387-Q391 WeakPolarHBondContact O-CG 3.47Å; P387-Q391 PolarHBondContact O-N 3.3Å; P387-Q391 VanDerWaalsContact O-N 3.08Å
388E76.8Confident73.4Confident140 Ų14071.6 Ų71.665%0.65440%0.397SS*.Hα-helixtrans-64.2-37.3176.1-61178.9-172.200112.8P386 K392P386-E388 PolarHBondContact O-N 3.49Å; P386-E388 VanDerWaalsContact O-N 3.15Å; E388-K392 WeakPolarHBondContact O-CG 3.25Å; E388-K392 PolarHBondContact O-N 3.27Å
389I75.3Confident73.7Confident12 Ų1269.9 Ų69.96%0.06239%0.386CS..Hα-helixtrans-76.7-38.7179.3-59.2175.5000110C359 M360 V385 P386 P387 Q391 K392 H393 Y397C359-I389 HydrophobicContact CB-CD1 3.83Å; C359-I389 VanDerWaalsContact O-CG2 3.26Å; C359-I389 WeakPolarHBondContact O-CG2 3.42Å; C359-I389 WeakPolarHBondContact SG-CD1 3.43Å; M360-I389 HydrophobicContact CG-CD1 4.16Å; M360-I389 HydrophobicContact SD-CD1 3.23Å; M360-I389 WeakPolarHBondContact SD-CD1 3.44Å; M360-I389 HydrophobicContact SD-CG1 3.74Å; V385-I389 HydrophobicContact CG1-CB 4.14Å; V385-I389 HydrophobicContact CG1-CG2 4.14Å; P386-I389 HydrophobicContact CB-CD1 4.13Å; P386-I389 HydrophobicContact CB-CG1 4.23Å; P386-I389 HydrophobicContact CG-CD1 3.82Å; P386-I389 HydrophobicContact CG-CG1 4.46Å; P386-I389 PolarHBondContact O-N 2.9Å; P387-I389 VanDerWaalsContact C-N 3.35Å; P387-I389 PolarHBondContact O-N 3.23Å; I389-Q391 PolarHBondContact O-N 3.32Å; I389-K392 PolarHBondContact O-N 3.19Å; I389-H393 PolarHBondContact O-N 3.02Å; I389-Y397 HydrophobicContact CG2-CE2 3.78Å
390L75.8Confident74.3Confident52 Ų5264.5 Ų64.527%0.27236%0.361SS..Hα-helixtrans-59.4-36.2174-70.8174.1000111.8V385 P386 P387 C394 Y397 F401V385-L390 HydrophobicContact CB-CD1 4.46Å; V385-L390 HydrophobicContact CB-CD2 4.07Å; V385-L390 HydrophobicContact CB-CG 4.12Å; V385-L390 HydrophobicContact CG1-CD2 3.79Å; V385-L390 HydrophobicContact CG1-CG 3.77Å; P386-L390 PolarHBondContact O-N 2.98Å; P387-L390 PolarHBondContact O-N 3.41Å; L390-C394 WeakPolarHBondContact O-CA 3.28Å; L390-C394 VanDerWaalsContact O-CB 3.27Å; L390-C394 WeakPolarHBondContact O-CB 3.26Å; L390-C394 PolarHBondContact O-N 3.28Å; L390-C394 VanDerWaalsContact O-N 3.1Å; L390-Y397 HydrophobicContact CD2-CD1 4.3Å; L390-Y397 HydrophobicContact CD2-CD2 4.12Å; L390-Y397 HydrophobicContact CD2-CG 3.76Å; L390-F401 HydrophobicContact CD2-CE2 4.13Å
391Q74.8Confident75Confident158 Ų15858.5 Ų58.574%0.73833%0.332SS*.Hα-helixtrans-70.6-41.6174.4-73.6178.7500112.3P387 I389P387-Q391 WeakPolarHBondContact O-CG 3.47Å; P387-Q391 PolarHBondContact O-N 3.3Å; P387-Q391 VanDerWaalsContact O-N 3.08Å; I389-Q391 PolarHBondContact O-N 3.32Å
392K78.1Confident75.5Confident153 Ų15360.3 Ų60.367%0.66535%0.348SS*.Hα-helixtrans-66.6-38.4179.1-74.1176.3-179.7175.70113.3E388 I389E388-K392 WeakPolarHBondContact O-CG 3.25Å; E388-K392 PolarHBondContact O-N 3.27Å; I389-K392 PolarHBondContact O-N 3.19Å
393H76.1Confident76Confident79 Ų7957 Ų5737%0.36633%0.334SS..THydrogen-bonded Turntrans-122.245.4-176.6-63.6-69.8000112.2I389 G395 F396 Y397I389-H393 PolarHBondContact O-N 3.02Å; H393-G395 VanDerWaalsContact C-N 3.33Å; H393-G395 PolarHBondContact O-N 3.18Å; H393-F396 PolarHBondContact O-N 2.85Å; H393-Y397 HydrophobicContact CB-CD2 3.92Å; H393-Y397 HydrophobicContact CB-CE2 3.99Å; H393-Y397 WeakPolarHBondContact O-CD2 3.22Å; H393-Y397 PolarHBondContact O-N 3.19Å
394C74.8Confident76.2Confident83 Ų8356.1 Ų56.156%0.56131%0.314SS*.Hα-helixtrans-58.9-39.6-173.1630000113.5L390 S398L390-C394 WeakPolarHBondContact O-CA 3.28Å; L390-C394 VanDerWaalsContact O-CB 3.27Å; L390-C394 WeakPolarHBondContact O-CB 3.26Å; L390-C394 PolarHBondContact O-N 3.28Å; L390-C394 VanDerWaalsContact O-N 3.1Å; C394-S398 WeakPolarHBondContact O-CB 3.29Å; C394-S398 PolarHBondContact O-N 3.07Å; C394-S398 PolarHBondContact O-OG 3.21Å
395G74.9Confident76.1Confident34 Ų3460.9 Ų60.935%0.35133%0.332SS..Hα-helixtrans-63.1-4417900000113.1H393 S398 S399H393-G395 VanDerWaalsContact C-N 3.33Å; H393-G395 PolarHBondContact O-N 3.18Å; G395-S398 PolarHBondContact O-OG 3.24Å; G395-S399 VanDerWaalsContact O-CB 3.32Å; G395-S399 WeakPolarHBondContact O-CB 3.48Å; G395-S399 PolarHBondContact O-N 3.44Å
396F80.8Confident76.1Confident10 Ų1066.8 Ų66.84%0.04436%0.36CS..Hα-helixtrans-67-51.8-179.7175.1-98.6000112P362 I365 E366 H393 S398 S399 L400 L451P362-F396 HydrophobicContact CB-CD1 3.66Å; P362-F396 HydrophobicContact CB-CE1 3.81Å; P362-F396 HydrophobicContact CB-CG 4.04Å; P362-F396 HydrophobicContact CB-CZ 4.32Å; P362-F396 VanDerWaalsContact O-CZ 3.25Å; P362-F396 WeakPolarHBondContact O-CZ 3.34Å; I365-F396 HydrophobicContact CB-CE1 4.23Å; I365-F396 HydrophobicContact CB-CZ 4Å; I365-F396 HydrophobicContact CG2-CE1 4.12Å; I365-F396 HydrophobicContact CG2-CZ 3.89Å; E366-F396 HydrophobicContact CB-CE2 3.69Å; E366-F396 HydrophobicContact CB-CZ 4.17Å; E366-F396 HydrophobicContact CG-CE2 4.02Å; H393-F396 PolarHBondContact O-N 2.85Å; F396-S398 PolarHBondContact O-N 3.42Å; F396-S399 WeakPolarHBondContact O-CB 3.23Å; F396-S399 PolarHBondContact O-N 3.27Å; F396-L400 HydrophobicContact CE1-CD1 3.99Å; F396-L400 HydrophobicContact CZ-CD1 4.02Å; F396-L400 WeakPolarHBondContact O-CB 3.39Å; F396-L400 PolarHBondContact O-N 2.84Å; F396-L451 HydrophobicContact CD2-CD1 4.2Å; F396-L451 HydrophobicContact CD2-CG 4.32Å; F396-L451 HydrophobicContact CE2-CD1 3.39Å; F396-L451 HydrophobicContact CE2-CG 3.71Å; F396-L451 HydrophobicContact CZ-CD1 3.66Å; F396-L451 HydrophobicContact CZ-CG 4.45Å
397Y78.5Confident75.9Confident3 Ų370 Ų701%0.01238%0.381CS..Hα-helixtrans-70.4-34-176.2-76-72.5000112.7C359 I365 V385 I389 L390 H393 L400 F401C359-Y397 WeakPolarHBondContact CA-OH 3.38Å; C359-Y397 PolarHBondContact O-OH 3.42Å; I365-Y397 HydrophobicContact CD1-CE1 4.39Å; V385-Y397 HydrophobicContact CG1-CE1 4.18Å; V385-Y397 HydrophobicContact CG1-CE2 4.35Å; V385-Y397 HydrophobicContact CG2-CD1 4.36Å; V385-Y397 HydrophobicContact CG2-CE1 3.98Å; I389-Y397 HydrophobicContact CG2-CE2 3.78Å; L390-Y397 HydrophobicContact CD2-CD1 4.3Å; L390-Y397 HydrophobicContact CD2-CD2 4.12Å; L390-Y397 HydrophobicContact CD2-CG 3.76Å; H393-Y397 HydrophobicContact CB-CD2 3.92Å; H393-Y397 HydrophobicContact CB-CE2 3.99Å; H393-Y397 WeakPolarHBondContact O-CD2 3.22Å; H393-Y397 PolarHBondContact O-N 3.19Å; Y397-L400 PolarHBondContact O-N 3.32Å; Y397-F401 WeakPolarHBondContact O-CD2 3.39Å; Y397-F401 WeakPolarHBondContact O-CG 3.2Å; Y397-F401 PolarHBondContact O-N 3.16Å
398S76.3Confident76.3Confident73 Ų7366.7 Ų66.751%0.5136%0.356SS..Hα-helixtrans-63.8-42.9173.558.40000111.9C394 G395 F396 F401 A402C394-S398 WeakPolarHBondContact O-CB 3.29Å; C394-S398 PolarHBondContact O-N 3.07Å; C394-S398 PolarHBondContact O-OG 3.21Å; G395-S398 PolarHBondContact O-OG 3.24Å; F396-S398 PolarHBondContact O-N 3.42Å; S398-F401 PolarHBondContact O-N 3.43Å; S398-A402 WeakPolarHBondContact O-CB 3.46Å; S398-A402 PolarHBondContact O-N 2.88Å
399S78.5Confident76.6Confident23 Ų2361.4 Ų61.416%0.16134%0.335CS..Hα-helixtrans-61-46.9171.9160.40000111.6G395 F396 F401 A402 L403 L451G395-S399 VanDerWaalsContact O-CB 3.32Å; G395-S399 WeakPolarHBondContact O-CB 3.48Å; G395-S399 PolarHBondContact O-N 3.44Å; F396-S399 WeakPolarHBondContact O-CB 3.23Å; F396-S399 PolarHBondContact O-N 3.27Å; S399-F401 PolarHBondContact O-N 3.25Å; S399-A402 WeakPolarHBondContact O-CB 3.21Å; S399-A402 PolarHBondContact O-N 3.33Å; S399-A402 VanDerWaalsContact O-N 3.13Å; S399-L403 WeakPolarHBondContact O-CG 3.44Å; S399-L403 PolarHBondContact O-N 3.49Å; S399-L451 PolarHBondContact OG-N 3.05Å; S399-L451 PolarHBondContact OG-O 3.15Å
400L79.5Confident77Confident2 Ų267.3 Ų67.31%0.0137%0.365CS..Hα-helixtrans-58.6-42.6178-176.5142.3000113L355 I365 M369 L377 F396 Y397 L451L355-L400 HydrophobicContact CD2-CD1 4.46Å; I365-L400 HydrophobicContact CG2-CD1 3.6Å; M369-L400 HydrophobicContact CG-CD1 4.07Å; L377-L400 HydrophobicContact CD1-CD2 3.5Å; L377-L400 VanDerWaalsContact CD1-CD2 3.5Å; L377-L400 HydrophobicContact CD1-CG 4.29Å; F396-L400 HydrophobicContact CE1-CD1 3.99Å; F396-L400 HydrophobicContact CZ-CD1 4.02Å; F396-L400 WeakPolarHBondContact O-CB 3.39Å; F396-L400 PolarHBondContact O-N 2.84Å; Y397-L400 PolarHBondContact O-N 3.32Å; L400-L451 HydrophobicContact CB-CD1 4.11Å; L400-L451 HydrophobicContact CD1-CD1 3.91Å; L400-L451 HydrophobicContact CG-CD1 4.35Å
401F78.3Confident77.3Confident36 Ų3670.5 Ų70.516%0.15838%0.379CS..Hα-helixtrans-75.9-27.4176.7-63.4-50.4000113.2K382 L390 Y397 S398 S399 L403 V404K382-F401 HydrophobicContact CB-CE1 4.47Å; K382-F401 HydrophobicContact CB-CZ 4.33Å; K382-F401 HydrophobicContact CG-CD1 3.82Å; K382-F401 HydrophobicContact CG-CD2 4.28Å; K382-F401 HydrophobicContact CG-CE1 3.67Å; K382-F401 HydrophobicContact CG-CE2 4.14Å; K382-F401 HydrophobicContact CG-CG 4.14Å; K382-F401 HydrophobicContact CG-CZ 3.85Å; L390-F401 HydrophobicContact CD2-CE2 4.13Å; Y397-F401 WeakPolarHBondContact O-CD2 3.39Å; Y397-F401 WeakPolarHBondContact O-CG 3.2Å; Y397-F401 PolarHBondContact O-N 3.16Å; S398-F401 PolarHBondContact O-N 3.43Å; S399-F401 PolarHBondContact O-N 3.25Å; F401-L403 VanDerWaalsContact C-N 3.31Å; F401-V404 PolarHBondContact O-N 3.21Å
402A78.4Confident77.7Confident40 Ų4063 Ų6333%0.33134%0.344SS..Hα-helixtrans-66.8-34.1173.800000112S398 S399 V404 K405 Q406S398-A402 WeakPolarHBondContact O-CB 3.46Å; S398-A402 PolarHBondContact O-N 2.88Å; S399-A402 WeakPolarHBondContact O-CB 3.21Å; S399-A402 PolarHBondContact O-N 3.33Å; S399-A402 VanDerWaalsContact O-N 3.13Å; A402-V404 PolarHBondContact O-N 2.89Å; A402-K405 PolarHBondContact O-N 3.17Å; A402-Q406 PolarHBondContact O-N 3.38Å
403L74.2Confident77.9Confident16 Ų1659 Ų598%0.08433%0.329CS..THydrogen-bonded Turntrans-63.6-18.3177.6-73170.1000114.9S399 F401 R408 L451S399-L403 WeakPolarHBondContact O-CG 3.44Å; S399-L403 PolarHBondContact O-N 3.49Å; F401-L403 VanDerWaalsContact C-N 3.31Å; L403-R408 VanDerWaalsContact CD1-NH1 3.33Å; L403-R408 HydrophobicContact CD2-CG 4.14Å; L403-L451 HydrophobicContact CD1-CB 3.64Å; L403-L451 HydrophobicContact CD1-CD1 4.47Å; L403-L451 WeakPolarHBondContact CD1-O 3.44Å
404V71Confident78.3Confident54 Ų5458.2 Ų58.233%0.32733%0.332SS..THydrogen-bonded Turntrans-68.8-29.5171.2-178.60000110.7L377 F401 A402L377-V404 HydrophobicContact CB-CG2 4.11Å; F401-V404 PolarHBondContact O-N 3.21Å; A402-V404 PolarHBondContact O-N 2.89Å
405K71.8Confident78.8Confident159 Ų15954.5 Ų54.569%0.69131%0.307SS*.THydrogen-bonded Turntrans-104.6-22.3-174.2-61.2-175.4179.1-174.40113.6A402A402-K405 PolarHBondContact O-N 3.17Å
406Q73.6Confident79.1Confident130 Ų13056.2 Ų56.261%0.60730%0.302SS*.SBendtrans-119.3146.8-174.6-66.7-173.8-12.600112.2A402A402-Q406 PolarHBondContact O-N 3.38Å
407P73.8Confident79.3Confident121 Ų12157.4 Ų57.479%0.78631%0.314SS*.PPolyproline II helixtrans-67.3143.6173.829.4-34.2000111.1
408R80.1Confident79.5Confident22 Ų2261 Ų618%0.08333%0.333CS..PPolyproline II helixtrans-59.2151.5175.3-74.3-84-174.3167.79.7112M369 L403 H412 L413M369-R408 PolarHBondContact O-NH2 3.13Å; L403-R408 VanDerWaalsContact CD1-NH1 3.33Å; L403-R408 HydrophobicContact CD2-CG 4.14Å; R408-H412 HydrophobicContact CB-CB 4.49Å; R408-L413 HydrophobicContact CB-CD2 4.47Å
409S84.4Confident79.8Confident30 Ų3058.9 Ų58.921%0.2131%0.314CS..PPolyproline II helixtrans-56.4149.3173.163.30000113.3Q411 H412 L413 Y452S409-Q411 VanDerWaalsContact C-N 3.26Å; S409-Q411 PolarHBondContact O-N 3.22Å; S409-H412 WeakPolarHBondContact O-CB 3.4Å; S409-H412 PolarHBondContact O-N 3.39Å; S409-H412 VanDerWaalsContact O-N 3.11Å; S409-H412 WeakPolarHBondContact OG-CB 3.19Å; S409-H412 PolarHBondContact OG-N 3.36Å; S409-L413 PolarHBondContact O-N 3.48Å; S409-L413 VanDerWaalsContact O-N 3.11Å; S409-Y452 PolarHBondContact OG-O 3.14Å
410L82.7Confident80Confident135 Ų13559.9 Ų59.971%0.70732%0.319SS*.Hα-helixtrans-59.4-37.2177.7-176.3126.7000112H412 L413 C414L410-H412 VanDerWaalsContact C-N 3.3Å; L410-H412 PolarHBondContact O-N 2.95Å; L410-L413 PolarHBondContact O-N 3.27Å; L410-C414 PolarHBondContact O-N 2.91Å; L410-C414 PolarHBondContact O-SG 3.43Å
411Q82.9Confident80.1Confident119 Ų11967.4 Ų67.456%0.55635%0.354SS*.Hα-helixtrans-58.4-42.9175.7-66.1179.5-600111.9S409 C414 R415S409-Q411 VanDerWaalsContact C-N 3.26Å; S409-Q411 PolarHBondContact O-N 3.22Å; Q411-C414 PolarHBondContact O-N 3.24Å; Q411-R415 PolarHBondContact O-N 3.32Å
412H82.9Confident80.1Confident2 Ų267.6 Ų67.61%0.00936%0.356CS..Hα-helixtrans-65.7-43.5176.9177.688.8000111.7N370 Y372 R408 S409 L410 C414 R415 W416 Y442N370-H412 PolarHBondContact O-CE1 3.37Å; N370-H412 VanDerWaalsContact O-CE1 3.28Å; Y372-H412 PolarHBondContact O-NE2 2.94Å; R408-H412 HydrophobicContact CB-CB 4.49Å; S409-H412 WeakPolarHBondContact O-CB 3.4Å; S409-H412 PolarHBondContact O-N 3.39Å; S409-H412 VanDerWaalsContact O-N 3.11Å; S409-H412 WeakPolarHBondContact OG-CB 3.19Å; S409-H412 PolarHBondContact OG-N 3.36Å; L410-H412 VanDerWaalsContact C-N 3.3Å; L410-H412 PolarHBondContact O-N 2.95Å; H412-C414 VanDerWaalsContact C-N 3.3Å; H412-C414 PolarHBondContact O-N 3.11Å; H412-R415 WeakPolarHBondContact O-CB 3.27Å; H412-R415 PolarHBondContact O-N 3.26Å; H412-W416 PolarHBondContact O-N 2.82Å; H412-Y442 PolarHBondContact N-OH 3.11Å
413L82.9Confident79.9Confident68 Ų6870.9 Ų70.936%0.35637%0.365SS..Hα-helixtrans-61.4-39176-65.6175.9000112R373 R408 S409 L410 W416 A417R373-L413 HydrophobicContact CG-CD2 4.15Å; R408-L413 HydrophobicContact CB-CD2 4.47Å; S409-L413 PolarHBondContact O-N 3.48Å; S409-L413 VanDerWaalsContact O-N 3.11Å; L410-L413 PolarHBondContact O-N 3.27Å; L413-W416 PolarHBondContact O-N 3.31Å; L413-A417 WeakPolarHBondContact O-CB 3.42Å; L413-A417 PolarHBondContact O-N 3.31Å
414C83.1Confident79.6Confident63 Ų6372.7 Ų72.743%0.42639%0.387SS..Hα-helixtrans-63.6-45.3173.8-69.30000112.1L410 Q411 H412 W416 A417 L418L410-C414 PolarHBondContact O-N 2.91Å; L410-C414 PolarHBondContact O-SG 3.43Å; Q411-C414 PolarHBondContact O-N 3.24Å; H412-C414 VanDerWaalsContact C-N 3.3Å; H412-C414 PolarHBondContact O-N 3.11Å; C414-W416 VanDerWaalsContact C-N 3.33Å; C414-W416 PolarHBondContact O-N 3.34Å; C414-A417 PolarHBondContact O-N 2.99Å; C414-L418 WeakPolarHBondContact O-CB 3.23Å; C414-L418 WeakPolarHBondContact O-CG 3.39Å; C414-L418 PolarHBondContact O-N 3.28Å
415R85.3Confident79.7Confident5 Ų579.1 Ų79.12%0.01941%0.405CS..Hα-helixtrans-56.9-48.5173.3171.2-159.4-77150.7-20.5110.8Q411 H412 A417 L418 R419 Y442 L443 E448Q411-R415 PolarHBondContact O-N 3.32Å; H412-R415 WeakPolarHBondContact O-CB 3.27Å; H412-R415 PolarHBondContact O-N 3.26Å; R415-A417 PolarHBondContact O-N 3.27Å; R415-L418 PolarHBondContact O-N 3.23Å; R415-R419 HydrophobicContact CG-CG 4.36Å; R415-R419 WeakPolarHBondContact O-CB 3.25Å; R415-R419 VanDerWaalsContact O-CG 3.31Å; R415-R419 WeakPolarHBondContact O-CG 3.46Å; R415-R419 PolarHBondContact O-N 3.42Å; R415-Y442 HydrophobicContact CB-CD1 4.13Å; R415-Y442 HydrophobicContact CB-CE1 3.61Å; R415-Y442 HydrophobicContact CG-CD1 4.4Å; R415-Y442 HydrophobicContact CG-CE1 4.21Å; R415-Y442 VanDerWaalsContact NE-CE1 3.25Å; R415-Y442 PolarHBondContact NE-O 2.9Å; R415-Y442 PolarHBondContact NH1-OH 3.02Å; R415-Y442 PolarHBondContact NH2-O 2.96Å; R415-L443 HydrophobicContact CB-CD2 4.32Å; R415-L443 HydrophobicContact CG-CD2 4.17Å; R415-E448 IonicContact NH2-OE2 3.84Å
416W82.9Confident79.9Confident69 Ų6971.9 Ų71.926%0.26137%0.374SS..Hα-helixtrans-60.6-45.7-179.3-17788.2000111.9T371 R373 H412 L413 C414 R419 T420T371-W416 PolarHBondContact O-NE1 3.49Å; R373-W416 HydrophobicContact CB-CD2 4.14Å; R373-W416 HydrophobicContact CB-CG 4.47Å; R373-W416 HydrophobicContact CB-CZ2 4.19Å; H412-W416 PolarHBondContact O-N 2.82Å; L413-W416 PolarHBondContact O-N 3.31Å; C414-W416 VanDerWaalsContact C-N 3.33Å; C414-W416 PolarHBondContact O-N 3.34Å; W416-R419 PolarHBondContact O-N 3.11Å; W416-T420 HydrophobicContact CD2-CG2 4.1Å; W416-T420 HydrophobicContact CE3-CG2 4.4Å; W416-T420 HydrophobicContact CH2-CG2 4.08Å; W416-T420 HydrophobicContact CZ2-CG2 3.77Å; W416-T420 HydrophobicContact CZ3-CG2 4.39Å; W416-T420 WeakPolarHBondContact O-CG2 3.31Å; W416-T420 PolarHBondContact O-N 3.28Å; W416-T420 PolarHBondContact O-OG1 3.06Å
417A83.3Confident79.7Confident35 Ų3567.6 Ų67.629%0.28936%0.357SS..Hα-helixtrans-61.6-46176.500000111.9L413 C414 R415 R419 T420 H421L413-A417 WeakPolarHBondContact O-CB 3.42Å; L413-A417 PolarHBondContact O-N 3.31Å; C414-A417 PolarHBondContact O-N 2.99Å; R415-A417 PolarHBondContact O-N 3.27Å; A417-R419 PolarHBondContact O-N 3.47Å; A417-T420 WeakPolarHBondContact CA-OG1 3.44Å; A417-T420 PolarHBondContact O-N 3.22Å; A417-T420 PolarHBondContact O-OG1 3.21Å; A417-H421 PolarHBondContact O-CD2 3.43Å; A417-H421 PolarHBondContact O-N 3.22Å
418L83.1Confident79.6Confident78 Ų7868.4 Ų68.441%0.40835%0.35SS..Hα-helixtrans-64.5-41.4178.1-71.9172000112.3C414 R415 H421 L422 L443C414-L418 WeakPolarHBondContact O-CB 3.23Å; C414-L418 WeakPolarHBondContact O-CG 3.39Å; C414-L418 PolarHBondContact O-N 3.28Å; R415-L418 PolarHBondContact O-N 3.23Å; L418-H421 PolarHBondContact O-N 2.92Å; L418-L422 WeakPolarHBondContact O-CB 3.18Å; L418-L422 VanDerWaalsContact O-CG 3.29Å; L418-L422 WeakPolarHBondContact O-CG 3.36Å; L418-L422 PolarHBondContact O-N 3.38Å; L418-L443 HydrophobicContact CB-CD2 4.06Å; L418-L443 HydrophobicContact CD1-CD2 4.03Å
419R83.9Confident79.3Confident30 Ų3068.4 Ų68.411%0.11336%0.356CS..Hα-helixtrans-66.5-38.9178-73.8-176.964.289.91.3112.6L339 N340 R415 W416 A417 L422 E423 L426 L443L339-R419 PolarHBondContact O-NH2 2.91Å; N340-R419 PolarHBondContact OD1-NH1 3.01Å; N340-R419 PolarHBondContact OD1-NH2 3.3Å; R415-R419 HydrophobicContact CG-CG 4.36Å; R415-R419 WeakPolarHBondContact O-CB 3.25Å; R415-R419 VanDerWaalsContact O-CG 3.31Å; R415-R419 WeakPolarHBondContact O-CG 3.46Å; R415-R419 PolarHBondContact O-N 3.42Å; W416-R419 PolarHBondContact O-N 3.11Å; A417-R419 PolarHBondContact O-N 3.47Å; R419-L422 CarbonylContact O-C 3.51Å; R419-L422 PolarHBondContact O-N 3Å; R419-E423 PolarHBondContact O-N 3.43Å; R419-E423 VanDerWaalsContact O-N 3.08Å; R419-L426 HydrophobicContact CB-CD1 4.4Å; R419-L426 HydrophobicContact CG-CD1 3.87Å; R419-L443 PolarHBondContact NH1-O 3.1Å
420T82.4Confident79Confident43 Ų4367.2 Ų67.226%0.26435%0.347SS..Hα-helixtrans-66.7-37.4175.1450000111.7W416 A417 L422W416-T420 HydrophobicContact CD2-CG2 4.1Å; W416-T420 HydrophobicContact CE3-CG2 4.4Å; W416-T420 HydrophobicContact CH2-CG2 4.08Å; W416-T420 HydrophobicContact CZ2-CG2 3.77Å; W416-T420 HydrophobicContact CZ3-CG2 4.39Å; W416-T420 WeakPolarHBondContact O-CG2 3.31Å; W416-T420 PolarHBondContact O-N 3.28Å; W416-T420 PolarHBondContact O-OG1 3.06Å; A417-T420 WeakPolarHBondContact CA-OG1 3.44Å; A417-T420 PolarHBondContact O-N 3.22Å; A417-T420 PolarHBondContact O-OG1 3.21Å; T420-L422 VanDerWaalsContact C-N 3.32Å; T420-L422 PolarHBondContact O-N 2.77Å
421H82Confident78.7Confident160 Ų16065.7 Ų65.774%0.74135%0.345SS*.Hα-helixtrans-68.1-29.2172.9-75.3-58.2000114A417 L418A417-H421 PolarHBondContact O-CD2 3.43Å; A417-H421 PolarHBondContact O-N 3.22Å; L418-H421 PolarHBondContact O-N 2.92Å
422L78.3Confident78.6Confident41 Ų4170.4 Ų70.422%0.21536%0.358CS..THydrogen-bonded Turntrans-10112.9-177.3-64173.1000113.5L418 R419 T420 G424 R425 L426 A429 L433L418-L422 WeakPolarHBondContact O-CB 3.18Å; L418-L422 VanDerWaalsContact O-CG 3.29Å; L418-L422 WeakPolarHBondContact O-CG 3.36Å; L418-L422 PolarHBondContact O-N 3.38Å; R419-L422 CarbonylContact O-C 3.51Å; R419-L422 PolarHBondContact O-N 3Å; T420-L422 VanDerWaalsContact C-N 3.32Å; T420-L422 PolarHBondContact O-N 2.77Å; L422-G424 PolarHBondContact O-N 3.38Å; L422-R425 CarbonylContact O-C 3.56Å; L422-R425 PolarHBondContact O-N 3.19Å; L422-L426 HydrophobicContact CB-CB 4.5Å; L422-L426 PolarHBondContact O-N 3.13Å; L422-A429 HydrophobicContact CD2-CB 4.08Å; L422-L433 HydrophobicContact CD1-CD1 4.17Å
423E73.6Confident78.6Confident109 Ų10973.3 Ų73.351%0.50937%0.373SS..THydrogen-bonded Turntrans-55.4130.1-176.7-167.7163.8-158.700111.2R419 R425R419-E423 PolarHBondContact O-N 3.43Å; R419-E423 VanDerWaalsContact O-N 3.08Å; E423-R425 PolarHBondContact O-N 3.07Å
424G67.1Low78.6Confident53 Ų5376.3 Ų76.355%0.54640%0.396SS..THydrogen-bonded Turntrans75.3-11.3-175.500000116.2L422L422-G424 PolarHBondContact O-N 3.38Å
425R73.2Confident78.7Confident190 Ų19076 Ų7672%0.71739%0.39SS*.THydrogen-bonded Turntrans-117.1-2.6178-62.2-176.8-174.2177.62.3113.8L422 E423 H428 A429L422-R425 CarbonylContact O-C 3.56Å; L422-R425 PolarHBondContact O-N 3.19Å; E423-R425 PolarHBondContact O-N 3.07Å; R425-H428 PolarHBondContact O-N 3.36Å; R425-H428 VanDerWaalsContact O-N 3.07Å; R425-A429 VanDerWaalsContact O-CB 3.28Å; R425-A429 WeakPolarHBondContact O-CB 3.4Å; R425-A429 PolarHBondContact O-N 2.97Å
426L76.4Confident78.8Confident7 Ų779.2 Ų79.24%0.03741%0.412CS..Hα-helixtrans-52.7-46.9-173.9-173.2143.9000113.7N340 R419 L422 H428 A429 L430N340-L426 HydrophobicContact CB-CD2 3.98Å; R419-L426 HydrophobicContact CB-CD1 4.4Å; R419-L426 HydrophobicContact CG-CD1 3.87Å; L422-L426 HydrophobicContact CB-CB 4.5Å; L422-L426 PolarHBondContact O-N 3.13Å; L426-H428 VanDerWaalsContact C-N 3.28Å; L426-H428 PolarHBondContact O-N 3.49Å; L426-A429 PolarHBondContact O-N 2.88Å; L426-L430 HydrophobicContact CD2-CD1 3.4Å; L426-L430 HydrophobicContact CD2-CG 4.22Å; L426-L430 HydrophobicContact CG-CD1 3.81Å; L426-L430 HydrophobicContact CG-CG 4.09Å; L426-L430 WeakPolarHBondContact O-CB 3.5Å; L426-L430 WeakPolarHBondContact O-CG 3.38Å; L426-L430 PolarHBondContact O-N 3.35Å
427P69.3Low78.7Confident39 Ų3980.2 Ų80.225%0.25343%0.427SS..Hα-helixtrans-61.8-34.2178.6-21.532.8000113.6Y341 P431Y341-P427 HydrophobicContact CD1-CG 3.83Å; Y341-P427 HydrophobicContact CD2-CG 4.29Å; Y341-P427 HydrophobicContact CE1-CB 4.18Å; Y341-P427 HydrophobicContact CE1-CG 3.83Å; Y341-P427 HydrophobicContact CE2-CG 4.32Å; Y341-P427 HydrophobicContact CG-CG 4.08Å; P427-P431 WeakPolarHBondContact O-CD 3.47Å
428H71.9Confident78.7Confident138 Ų13888.7 Ų88.764%0.63945%0.452SS*.Hα-helixtrans-87.1-28.3-177.1-62.887.6000113R425 L426R425-H428 PolarHBondContact O-N 3.36Å; R425-H428 VanDerWaalsContact O-N 3.07Å; L426-H428 VanDerWaalsContact C-N 3.28Å; L426-H428 PolarHBondContact O-N 3.49Å
429A74.5Confident78.5Confident23 Ų2389.7 Ų89.719%0.1946%0.455CS..Hα-helixtrans-87.4-35.9-175.900000112.9L422 R425 L426 R432 L433L422-A429 HydrophobicContact CD2-CB 4.08Å; R425-A429 VanDerWaalsContact O-CB 3.28Å; R425-A429 WeakPolarHBondContact O-CB 3.4Å; R425-A429 PolarHBondContact O-N 2.97Å; L426-A429 PolarHBondContact O-N 2.88Å; A429-R432 PolarHBondContact O-N 3.34Å; A429-L433 PolarHBondContact O-N 2.74Å
430L77.2Confident78.4Confident4 Ų489.9 Ų89.92%0.02146%0.458CS..G310 helixtrans-53.2-48-178.8-78.1173.2000115L426 R432 L433 L440 L443 Q444L426-L430 HydrophobicContact CD2-CD1 3.4Å; L426-L430 HydrophobicContact CD2-CG 4.22Å; L426-L430 HydrophobicContact CG-CD1 3.81Å; L426-L430 HydrophobicContact CG-CG 4.09Å; L426-L430 WeakPolarHBondContact O-CB 3.5Å; L426-L430 WeakPolarHBondContact O-CG 3.38Å; L426-L430 PolarHBondContact O-N 3.35Å; L430-R432 PolarHBondContact O-N 3.5Å; L430-R432 VanDerWaalsContact O-N 3.14Å; L430-L433 HydrophobicContact CD2-CD1 4.34Å; L430-L433 PolarHBondContact O-N 3.39Å; L430-L440 HydrophobicContact CD2-CD2 4.07Å; L430-L440 WeakPolarHBondContact O-CD2 3.39Å; L430-L443 HydrophobicContact CD2-CB 3.92Å; L430-L443 HydrophobicContact CD2-CD1 3.97Å; L430-Q444 HydrophobicContact CD1-CG 3.4Å; L430-Q444 VanDerWaalsContact CD1-CG 3.4Å
431P76.7Confident78.3Confident103 Ų10394.9 Ų94.967%0.66947%0.472SS*.G310 helixtrans-67.9-12.4-18025.2-33.4000113.7P427P427-P431 WeakPolarHBondContact O-CD 3.47Å
432R81.4Confident78.3Confident219 Ų21988.6 Ų88.683%0.82644%0.442SS*.G310 helixtrans-96.4-8.8179.8-62.2-177.5175.2174.50.1113.3A429 L430A429-R432 PolarHBondContact O-N 3.34Å; L430-R432 PolarHBondContact O-N 3.5Å; L430-R432 VanDerWaalsContact O-N 3.14Å
433L82.1Confident78.3Confident62 Ų6287.1 Ų87.133%0.32543%0.434SS..SBendtrans-81131.8179.6-71.3170000110.3L422 A429 L430 L435 L440L422-L433 HydrophobicContact CD1-CD1 4.17Å; A429-L433 PolarHBondContact O-N 2.74Å; L430-L433 HydrophobicContact CD2-CD1 4.34Å; L430-L433 PolarHBondContact O-N 3.39Å; L433-L435 HydrophobicContact CB-CD1 4.17Å; L433-L435 HydrophobicContact CB-CG 4.21Å; L433-L435 HydrophobicContact CD1-CD1 4.24Å; L433-L435 PolarHBondContact O-N 3.17Å; L433-L440 HydrophobicContact CB-CD2 4.31Å
434P83.3Confident78.7Confident131 Ų13185.5 Ų85.585%0.85143%0.427SS*.  trans-78.658.8177.634.4-36.4000110.9
435L84.4Confident79.2Confident57 Ų5783 Ų8330%0.29840%0.401SS..  trans-111.6149.9-179.3-68.3175000111.2L433 M439 L440 L443L433-L435 HydrophobicContact CB-CD1 4.17Å; L433-L435 HydrophobicContact CB-CG 4.21Å; L433-L435 HydrophobicContact CD1-CD1 4.24Å; L433-L435 PolarHBondContact O-N 3.17Å; L435-M439 HydrophobicContact CB-CB 4.38Å; L435-M439 HydrophobicContact CD2-CE 4.42Å; L435-M439 HydrophobicContact CD2-SD 4.41Å; L435-L440 HydrophobicContact CB-CD2 3.99Å; L435-L440 HydrophobicContact CB-CG 4.11Å; L435-L440 HydrophobicContact CD1-CD2 4.33Å; L435-L443 HydrophobicContact CD1-CD1 3.85Å
436P86.9Confident79.2Confident73 Ų7375.8 Ų75.847%0.47438%0.377SS..  trans-56.6147.6171.7-22.932.5000111.7R438 M439 L440P436-R438 PolarHBondContact O-N 3.23Å; P436-R438 VanDerWaalsContact O-N 3.09Å; P436-M439 HydrophobicContact CG-SD 4.26Å; P436-M439 PolarHBondContact O-N 2.9Å; P436-L440 PolarHBondContact O-N 3.13Å; P436-L440 VanDerWaalsContact O-N 3.13Å
437P82.1Confident78.8Confident89 Ų8977.8 Ų77.858%0.57839%0.385SS*.Hα-helixtrans-58.5-31.2-17721.9-33.1000112.9L440 R441P437-L440 PolarHBondContact O-N 3.01Å; P437-R441 WeakPolarHBondContact O-CB 3.26Å; P437-R441 WeakPolarHBondContact O-CG 3.15Å; P437-R441 PolarHBondContact O-N 2.96Å
438R82.3Confident78.5Confident214 Ų21479.3 Ų79.381%0.80839%0.389SS*.Hα-helixtrans-63.5-39.9174.4-69.2-173.9174.9177.6-1.9112.8P436 Y442P436-R438 PolarHBondContact O-N 3.23Å; P436-R438 VanDerWaalsContact O-N 3.09Å; R438-Y442 WeakPolarHBondContact O-CB 3.44Å; R438-Y442 PolarHBondContact O-N 3.42Å
439M80.6Confident78.1Confident98 Ų9876.6 Ų76.648%0.48338%0.379SS..Hα-helixtrans-73.9-33.6178-67.7-174.172.300111.8L435 P436 Y442 L443L435-M439 HydrophobicContact CB-CB 4.38Å; L435-M439 HydrophobicContact CD2-CE 4.42Å; L435-M439 HydrophobicContact CD2-SD 4.41Å; P436-M439 HydrophobicContact CG-SD 4.26Å; P436-M439 PolarHBondContact O-N 2.9Å; M439-Y442 WeakPolarHBondContact O-CB 3.35Å; M439-Y442 PolarHBondContact O-N 3.03Å; M439-L443 WeakPolarHBondContact O-CG 3.47Å; M439-L443 PolarHBondContact O-N 3.19Å
440L81.6Confident77.4Confident35 Ų3579.2 Ų79.218%0.18339%0.39CS..Hα-helixtrans-62.9-45.4173.1-67.1174.9000111.2L430 L433 L435 P436 P437 L443 Q444L430-L440 HydrophobicContact CD2-CD2 4.07Å; L430-L440 WeakPolarHBondContact O-CD2 3.39Å; L433-L440 HydrophobicContact CB-CD2 4.31Å; L435-L440 HydrophobicContact CB-CD2 3.99Å; L435-L440 HydrophobicContact CB-CG 4.11Å; L435-L440 HydrophobicContact CD1-CD2 4.33Å; P436-L440 PolarHBondContact O-N 3.13Å; P436-L440 VanDerWaalsContact O-N 3.13Å; P437-L440 PolarHBondContact O-N 3.01Å; L440-L443 WeakPolarHBondContact O-CB 3.44Å; L440-L443 PolarHBondContact O-N 3.27Å; L440-Q444 WeakPolarHBondContact O-CG 3.44Å; L440-Q444 PolarHBondContact O-N 3.3Å
441R80Confident76.5Confident148 Ų14879.1 Ų79.156%0.55839%0.389SS*.Hα-helixtrans-59.5-44.9172.4-76.1-174.8-166.5178.71.4112.6P437 L443 Q444 L445 D446P437-R441 WeakPolarHBondContact O-CB 3.26Å; P437-R441 WeakPolarHBondContact O-CG 3.15Å; P437-R441 PolarHBondContact O-N 2.96Å; R441-L443 VanDerWaalsContact C-N 3.29Å; R441-L443 PolarHBondContact O-N 3.21Å; R441-Q444 CarbonylContact O-C 3.56Å; R441-Q444 WeakPolarHBondContact O-CA 3Å; R441-Q444 WeakPolarHBondContact O-CB 3.42Å; R441-Q444 PolarHBondContact O-N 3.17Å; R441-L445 PolarHBondContact O-N 3.08Å; R441-D446 HydrophobicContact CB-CB 4.15Å; R441-D446 WeakPolarHBondContact CB-OD2 3.23Å; R441-D446 WeakPolarHBondContact CD-OD2 3.5Å; R441-D446 WeakPolarHBondContact CG-OD2 3.32Å; R441-D446 WeakPolarHBondContact O-CB 3.46Å; R441-D446 PolarHBondContact O-N 3.43Å; R441-D446 VanDerWaalsContact O-N 3.12Å
442Y81.1Confident75.5Confident28 Ų2880.7 Ų80.711%0.1138%0.383CS..Hα-helixtrans-58-40.8174.2-174.2-99.5000112.2H412 R415 R438 M439 Q444 L445 E448H412-Y442 PolarHBondContact N-OH 3.11Å; R415-Y442 HydrophobicContact CB-CD1 4.13Å; R415-Y442 HydrophobicContact CB-CE1 3.61Å; R415-Y442 HydrophobicContact CG-CD1 4.4Å; R415-Y442 HydrophobicContact CG-CE1 4.21Å; R415-Y442 VanDerWaalsContact NE-CE1 3.25Å; R415-Y442 PolarHBondContact NE-O 2.9Å; R415-Y442 PolarHBondContact NH1-OH 3.02Å; R415-Y442 PolarHBondContact NH2-O 2.96Å; R438-Y442 WeakPolarHBondContact O-CB 3.44Å; R438-Y442 PolarHBondContact O-N 3.42Å; M439-Y442 WeakPolarHBondContact O-CB 3.35Å; M439-Y442 PolarHBondContact O-N 3.03Å; Y442-Q444 VanDerWaalsContact C-N 3.34Å; Y442-L445 PolarHBondContact O-N 2.69Å; Y442-E448 VanDerWaalsContact CD2-OE1 3.27Å; Y442-E448 WeakPolarHBondContact CD2-OE1 3.33Å; Y442-E448 WeakPolarHBondContact CE2-OE2 3.19Å
443L79.8Confident75.2Confident9 Ų973.8 Ų73.85%0.04736%0.36CS..Hα-helixtrans-69.9-29.3175.1-72173.4000112.5R415 L418 R419 L430 L435 M439 L440 R441 L445R415-L443 HydrophobicContact CB-CD2 4.32Å; R415-L443 HydrophobicContact CG-CD2 4.17Å; L418-L443 HydrophobicContact CB-CD2 4.06Å; L418-L443 HydrophobicContact CD1-CD2 4.03Å; R419-L443 PolarHBondContact NH1-O 3.1Å; L430-L443 HydrophobicContact CD2-CB 3.92Å; L430-L443 HydrophobicContact CD2-CD1 3.97Å; L435-L443 HydrophobicContact CD1-CD1 3.85Å; M439-L443 WeakPolarHBondContact O-CG 3.47Å; M439-L443 PolarHBondContact O-N 3.19Å; L440-L443 WeakPolarHBondContact O-CB 3.44Å; L440-L443 PolarHBondContact O-N 3.27Å; R441-L443 VanDerWaalsContact C-N 3.29Å; R441-L443 PolarHBondContact O-N 3.21Å; L443-L445 PolarHBondContact O-N 2.92Å
444Q80.5Confident74.8Confident75 Ų7574.4 Ų74.435%0.3536%0.362SS..THydrogen-bonded Turntrans-785.7175.7-73.4176.9-26.300114.3R336 N340 L430 L440 R441 Y442R336-Q444 WeakPolarHBondContact CD-O 3.27Å; R336-Q444 VanDerWaalsContact CG-O 3.29Å; R336-Q444 WeakPolarHBondContact CG-O 3.08Å; N340-Q444 PolarHBondContact ND2-O 3.21Å; N340-Q444 PolarHBondContact OD1-O 3.35Å; L430-Q444 HydrophobicContact CD1-CG 3.4Å; L430-Q444 VanDerWaalsContact CD1-CG 3.4Å; L440-Q444 WeakPolarHBondContact O-CG 3.44Å; L440-Q444 PolarHBondContact O-N 3.3Å; R441-Q444 CarbonylContact O-C 3.56Å; R441-Q444 WeakPolarHBondContact O-CA 3Å; R441-Q444 WeakPolarHBondContact O-CB 3.42Å; R441-Q444 PolarHBondContact O-N 3.17Å; Y442-Q444 VanDerWaalsContact C-N 3.34Å
445L77.4Confident74.4Confident1 Ų171.3 Ų71.31%0.00534%0.335CS..THydrogen-bonded Turntrans62.639.7-176.7-51.5169.8000112.6R336 L339 V367 N370 T371 R441 Y442 L443R336-L445 HydrophobicContact CG-CB 4.28Å; L339-L445 HydrophobicContact CB-CD1 4.14Å; L339-L445 HydrophobicContact CD1-CD1 4.27Å; V367-L445 HydrophobicContact CG1-CB 4.41Å; V367-L445 HydrophobicContact CG1-CD1 4.12Å; N370-L445 HydrophobicContact CB-CD2 3.87Å; T371-L445 HydrophobicContact CG2-CD1 4.11Å; R441-L445 PolarHBondContact O-N 3.08Å; Y442-L445 PolarHBondContact O-N 2.69Å; L443-L445 PolarHBondContact O-N 2.92Å
446D74Confident73.8Confident39 Ų3972.1 Ų72.121%0.20934%0.337CS..  trans-66149.1168.1-80.9-7.6000111.8R336 R441R336-D446 IonicContact CZ-OD1 3.9Å; R336-D446 IonicContact NH1-OD1 3.43Å; R336-D446 PolarHBondContact NH1-OD1 3.21Å; R441-D446 HydrophobicContact CB-CB 4.15Å; R441-D446 WeakPolarHBondContact CB-OD2 3.23Å; R441-D446 WeakPolarHBondContact CD-OD2 3.5Å; R441-D446 WeakPolarHBondContact CG-OD2 3.32Å; R441-D446 WeakPolarHBondContact O-CB 3.46Å; R441-D446 PolarHBondContact O-N 3.43Å; R441-D446 VanDerWaalsContact O-N 3.12Å
447F67.3Low73Confident48 Ų4872.1 Ų72.121%0.21133%0.329CS..  trans-72.4132.1-173.4-48.3-76.1000111.9E332 R363 V367E332-F447 HydrophobicContact CB-CE1 3.68Å; E332-F447 HydrophobicContact CB-CZ 3.5Å; E332-F447 VanDerWaalsContact CB-CZ 3.5Å; E332-F447 HydrophobicContact CG-CE1 3.82Å; E332-F447 HydrophobicContact CG-CE2 3.99Å; E332-F447 HydrophobicContact CG-CZ 3.27Å; R363-F447 HydrophobicContact CB-CD1 3.63Å; R363-F447 HydrophobicContact CB-CE1 3.58Å; R363-F447 HydrophobicContact CB-CG 4.49Å; R363-F447 HydrophobicContact CB-CZ 4.43Å; R363-F447 HydrophobicContact CG-CD1 3.74Å; R363-F447 HydrophobicContact CG-CE1 4.17Å; R363-F447 HydrophobicContact CG-CG 4.2Å; V367-F447 HydrophobicContact CG2-CD1 4.09Å; V367-F447 HydrophobicContact CG2-CE1 3.37Å; V367-F447 HydrophobicContact CG2-CZ 4.05Å
448E64.4Low72.3Confident72 Ų7270.9 Ų70.934%0.33631%0.312SS..  trans-116.7-0.9171-65.2-179.8142.700111.6E366 R415 Y442 L450 Y452E366-E448 PolarHBondContact OE1-N 2.89Å; R415-E448 IonicContact NH2-OE2 3.84Å; Y442-E448 VanDerWaalsContact CD2-OE1 3.27Å; Y442-E448 WeakPolarHBondContact CD2-OE1 3.33Å; Y442-E448 WeakPolarHBondContact CE2-OE2 3.19Å; E448-L450 PolarHBondContact O-N 3.49Å; E448-Y452 HydrophobicContact CB-CE2 4.27Å; E448-Y452 VanDerWaalsContact OE2-CE2 3.31Å; E448-Y452 WeakPolarHBondContact OE2-CE2 3.42Å
449D61.7Low71.6Confident81 Ų8160.7 Ų60.743%0.43328%0.277SS..SBendtrans56.312.9-177.9-64-44.4000113.3R363 E366R363-D449 IonicContact NE-OD1 3.76Å; R363-D449 PolarHBondContact NE-OD1 3.32Å; R363-D449 IonicContact NH2-OD2 2.71Å; E366-D449 PolarHBondContact OE2-N 3.16Å
450L60.4Low70.9Confident78 Ų7857.8 Ų57.841%0.40826%0.261SS..  trans-143.6128.1178.7-69.3174.1000110.8E448 Y452E448-L450 PolarHBondContact O-N 3.49Å; L450-Y452 HydrophobicContact CB-CE2 4.49Å; L450-Y452 PolarHBondContact O-N 2.71Å
451L57.8Low70Confident1 Ų159.8 Ų59.81%0.00527%0.268CS..  trans-96.175.2176.9-69.9168.2000109.4E366 M369 N370 F396 S399 L400 L403E366-L451 HydrophobicContact CB-CD2 4.36Å; E366-L451 HydrophobicContact CG-CD2 3.56Å; E366-L451 HydrophobicContact CG-CG 4.03Å; M369-L451 HydrophobicContact CB-CD1 4.17Å; M369-L451 HydrophobicContact CB-CD2 4.24Å; N370-L451 VanDerWaalsContact OD1-CD2 3.23Å; N370-L451 WeakPolarHBondContact OD1-CD2 3.4Å; F396-L451 HydrophobicContact CD2-CD1 4.2Å; F396-L451 HydrophobicContact CD2-CG 4.32Å; F396-L451 HydrophobicContact CE2-CD1 3.39Å; F396-L451 HydrophobicContact CE2-CG 3.71Å; F396-L451 HydrophobicContact CZ-CD1 3.66Å; F396-L451 HydrophobicContact CZ-CG 4.45Å; S399-L451 PolarHBondContact OG-N 3.05Å; S399-L451 PolarHBondContact OG-O 3.15Å; L400-L451 HydrophobicContact CB-CD1 4.11Å; L400-L451 HydrophobicContact CD1-CD1 3.91Å; L400-L451 HydrophobicContact CG-CD1 4.35Å; L403-L451 HydrophobicContact CD1-CB 3.64Å; L403-L451 HydrophobicContact CD1-CD1 4.47Å; L403-L451 WeakPolarHBondContact CD1-O 3.44Å
452Y56.3Low69.1Low137 Ų13751.7 Ų51.754%0.53724%0.241SC..  trans-43.80-176.7-58.2-87.5000116.6S409 E448 L450S409-Y452 PolarHBondContact OG-O 3.14Å; E448-Y452 HydrophobicContact CB-CE2 4.27Å; E448-Y452 VanDerWaalsContact OE2-CE2 3.31Å; E448-Y452 WeakPolarHBondContact OE2-CE2 3.42Å; L450-Y452 HydrophobicContact CB-CE2 4.49Å; L450-Y452 PolarHBondContact O-N 2.71Å

Retrieved 452 of 452 residues in 189 ms (Link to these results)