A0A096LVM9_POEFO Loading...

Protrudin

AlphaFold DB , UniProt , Accession A0A096LVM9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 411 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
1M36Very low30.7Very low238 Ų238129.4 Ų129.4100%1.17282%0.815SS**  0111.90-67.1151.817400105.7
2A31.2Very low30.6Very low95 Ų95132 Ų13279%0.78581%0.81SS**  76.3126.955.800000111.1
3M30.5Very low30.4Very low160 Ų160139.2 Ų139.279%0.78881%0.813SS**  cis-170.5143.4-2.1-157.4165.4177.800111.6
4H33.2Very low30.3Very low165 Ų165134.3 Ų134.376%0.76481%0.807SS**  trans55.2166.6156.1-87.4-122.3000119.7
5S31.5Very low30.2Very low91 Ų91138.9 Ų138.964%0.63682%0.816SS**  cis-168.9164.4-32.453.10000107.6
6T32.4Very low30.1Very low130 Ų130140 Ų14080%0.79882%0.816SS**  cis-122.7-121.210.3-39.90000110.5
7G28.8Very low30.1Very low62 Ų62138.1 Ų138.164%0.63981%0.807SS**  cis89.11390.700000115.4
8E30.9Very low30.1Very low199 Ų199139.7 Ų139.793%0.9381%0.805SS**  cis-156.9170.6-6-70-16666.300108.4
9G27.3Very low29.9Very low66 Ų66137.6 Ų137.668%0.6880%0.799SS**  cis170.3179.7-0.800000112
10S28Very low30Very low140 Ų140138.6 Ų138.698%0.97980%0.801SS**  trans72.9138.8176.7-164.90000119.4
11G27.4Very low29.9Very low77 Ų77137.3 Ų137.379%0.79480%0.8SS**  trans144.6111.3169.900000114.7
12E30.5Very low29.6Very low161 Ų161134.9 Ų134.975%0.75278%0.782SS**  trans-104.8152.9-168.7-154.9-163.8105.700114.4
13R27.6Very low29.5Very low226 Ų226139.4 Ų139.485%0.85379%0.787SS**  trans84.4131.1141.8-154.3178.1-169.3130.2-6.9120.7
14G29.4Very low29.4Very low70 Ų70137.2 Ų137.272%0.72278%0.783SS**  trans166.458169.100000115.9
15E28.8Very low29.9Very low203 Ų203135.6 Ų135.695%0.94979%0.787SS**  trans-72.3158.7179.7-71.9179.8113.300114.4
16L28.3Very low29.6Very low157 Ų157134.7 Ų134.782%0.82279%0.793SS**  trans-149.1139.7-170.4-124.1170.6000112.3
17V29.5Very low29.4Very low108 Ų108133.2 Ų133.266%0.65579%0.788SS**  trans76.7153.1166.4-151.10000118.1
18H29.8Very low30Very low167 Ų167136.4 Ų136.477%0.77380%0.797SS**  trans83.1138.4163.8-70.2-62.1000118.8
19S26.2Very low29.9Very low99 Ų99134.1 Ų134.169%0.69279%0.791SS**  cis-156.1158.8-8.4-1370000115.6
20L31.9Very low30.5Very low158 Ų158135.7 Ų135.783%0.82780%0.798SS**  trans-21.7131.3155.2-178.782.5000117.7
21S28.1Very low30.8Very low112 Ų112134.7 Ų134.778%0.78379%0.791SS**  trans-169.3132.7137.6-96.90000117.7
22K29.4Very low31.2Very low186 Ų186140.8 Ų140.881%0.80980%0.798SS**  trans66.8108.4132.8-162.2174.1-173.9179.10120.8
23E31.1Very low31.5Very low191 Ų191141.4 Ų141.489%0.89381%0.806SS**  trans-81.4151.9154.5-63.9-172.4151.900112.1
24T27.8Very low31.9Very low114 Ų114134 Ų13470%0.69980%0.8SS**  trans-161.1132157.7-61.60000107.7
25P43.2Very low31.9Very low130 Ų130136 Ų13684%0.84480%0.803SS**  trans-88.6144.2-173.133.7-35000113.9
26G26.1Very low32.4Very low73 Ų73131.6 Ų131.675%0.75379%0.792SS**  trans172.3137.7168.300000116.1
27S27Very low33.1Very low99 Ų99135.7 Ų135.769%0.69280%0.797SS**  trans65.7126.2172.2-151.80000119.1
28P41.7Very low33.5Very low129 Ų129135.4 Ų135.484%0.83880%0.798SS**  trans-99.9106.6164.334.8-24.9000111.2
29D28.6Very low34.4Very low150 Ų150132.2 Ų132.280%0.80279%0.792SS**  trans-95.8143.5175.4-94.1-66.4000113.2
30A40.3Very low35.9Very low99 Ų99133.5 Ų133.582%0.81880%0.798SS**  trans-84.2118.8-164.900000113.4
31S34.9Very low36.8Very low120 Ų120132.6 Ų132.684%0.83979%0.794SS**  trans-15431.6166.2-79.80000114.1L33S31-L33 VanDerWaalsContact C-N 3.34Å; S31-L33 PolarHBondContact O-N 3.07Å; S31-L33 VanDerWaalsContact O-N 3.07Å
32E34.8Very low38.2Very low204 Ų204134.5 Ų134.595%0.95379%0.789SS**  trans-79.179.3166.6-78.2-129.811700111.2
33L38.1Very low40Very low174 Ų174129.4 Ų129.491%0.91177%0.77SS**  trans-148.5108.3172.8-123.2153000112.7S31S31-L33 VanDerWaalsContact C-N 3.34Å; S31-L33 PolarHBondContact O-N 3.07Å; S31-L33 VanDerWaalsContact O-N 3.07Å
34G34.7Very low41.7Very low71 Ų71123.7 Ų123.773%0.73275%0.745SS**  trans95.622.5152.400000119.2
35S29.2Very low43.6Very low111 Ų111122.8 Ų122.878%0.77674%0.736SS**  trans-69.7127.1161.2-172.60000109.9R37S35-R37 PolarHBondContact O-N 3.41Å
36P40Very low44.8Very low111 Ų111120.6 Ų120.672%0.72172%0.717SS**  trans-63.4119.6173.6-16.930.1000108.9C38P36-C38 PolarHBondContact O-N 2.97Å
37R42.1Very low47Very low244 Ų244119.8 Ų119.892%0.92170%0.695SS**  trans-59.7104.2172.2-69.9-176.2177.71181.5108.5S35S35-R37 PolarHBondContact O-N 3.41Å
38C39.4Very low49.1Very low101 Ų101115.3 Ų115.368%0.68266%0.663SS**  trans-51.4138.8161.1-71.10000107.6P36P36-C38 PolarHBondContact O-N 2.97Å
39P47.8Very low50.5Low100 Ų100110.2 Ų110.265%0.64963%0.628SS**  trans-54.6141.3161.927.6-33.6000107.1N41P39-N41 PolarHBondContact O-N 3.23Å
40P57Low52.4Low127 Ų127106.2 Ų106.283%0.82561%0.612SS**  trans-56.9111.7174.524.2-32.5000107.1F42P40-F42 PolarHBondContact O-N 2.99Å
41N50.7Low53.9Low139 Ų139104.8 Ų104.874%0.74359%0.586SS**  trans-59.6115.6176.1-80.1-60.3000105.9P39 D43P39-N41 PolarHBondContact O-N 3.23Å; N41-D43 PolarHBondContact O-N 2.94Å
42F57.9Low55.7Low152 Ų152101.7 Ų101.767%0.66756%0.557SS**  trans-69.888.1-178.8-172-98.6000107.5P40 L44 M47P40-F42 PolarHBondContact O-N 2.99Å; F42-L44 VanDerWaalsContact C-N 3.26Å; F42-L44 HydrophobicContact CD1-CD1 3.95Å; F42-L44 HydrophobicContact CE1-CD1 3.9Å; F42-L44 PolarHBondContact O-N 3.21Å; F42-M47 HydrophobicContact CE1-CE 4.07Å; F42-M47 HydrophobicContact CE1-SD 3.96Å; F42-M47 HydrophobicContact CE2-SD 4.43Å; F42-M47 HydrophobicContact CZ-CE 4.16Å; F42-M47 HydrophobicContact CZ-SD 3.49Å; F42-M47 WeakPolarHBondContact CZ-SD 3.5Å
43D68.3Low57.5Low78 Ų7897.2 Ų97.242%0.41753%0.532SS..  trans-74.189.1-171.7-171.2-22000109.1N41 L45 N46 M47N41-D43 PolarHBondContact O-N 2.94Å; D43-L45 PolarHBondContact O-N 2.81Å; D43-L45 PolarHBondContact OD1-N 3.03Å; D43-N46 HydrophobicContact CB-CB 4Å; D43-N46 PolarHBondContact O-N 2.79Å; D43-N46 VanDerWaalsContact O-N 3.1Å; D43-N46 PolarHBondContact OD1-N 2.81Å; D43-N46 PolarHBondContact OD2-ND2 3.32Å; D43-M47 PolarHBondContact O-N 3.32Å
44L66.9Low59.2Low71 Ų7193.9 Ų93.937%0.37251%0.513SS..Hα-helixtrans-52.6-36.8-177.9-151.170.9000111.7F42 V48 I156F42-L44 VanDerWaalsContact C-N 3.26Å; F42-L44 HydrophobicContact CD1-CD1 3.95Å; F42-L44 HydrophobicContact CE1-CD1 3.9Å; F42-L44 PolarHBondContact O-N 3.21Å; L44-V48 WeakPolarHBondContact O-CG2 3.29Å; L44-V48 PolarHBondContact O-N 3.07Å; L44-V48 VanDerWaalsContact O-N 3.16Å; L44-I156 HydrophobicContact CD1-CD1 3.38Å; L44-I156 HydrophobicContact CD2-CD1 4.06Å; L44-I156 HydrophobicContact CG-CD1 3.34Å
45L66.6Low61Low95 Ų9592.5 Ų92.550%0.49749%0.494SS..Hα-helixtrans-74.4-44.7179-177.865.6000111D43 M47 V48 M49D43-L45 PolarHBondContact O-N 2.81Å; D43-L45 PolarHBondContact OD1-N 3.03Å; L45-M47 VanDerWaalsContact C-N 3.31Å; L45-M47 PolarHBondContact O-N 2.75Å; L45-V48 PolarHBondContact O-N 3.31Å; L45-M49 WeakPolarHBondContact O-CB 3.47Å; L45-M49 PolarHBondContact O-N 3.37Å
46N68.8Low63.1Low84 Ų8490 Ų9045%0.44947%0.472SS..Hα-helixtrans-64.6-33.8175.2-93-55.8000112.5D43 S50D43-N46 HydrophobicContact CB-CB 4Å; D43-N46 PolarHBondContact O-N 2.79Å; D43-N46 VanDerWaalsContact O-N 3.1Å; D43-N46 PolarHBondContact OD1-N 2.81Å; D43-N46 PolarHBondContact OD2-ND2 3.32Å; N46-S50 VanDerWaalsContact O-CB 3.25Å; N46-S50 WeakPolarHBondContact O-CB 3.14Å; N46-S50 PolarHBondContact O-N 2.77Å; N46-S50 PolarHBondContact O-OG 2.82Å
47M72.6Confident64.6Low57 Ų5791.8 Ų91.828%0.28147%0.469SS..Hα-helixtrans-64.1-49.8172.5-172.8-179.572.400111.7F42 D43 L45 M49 S50 Y51 I156 L159F42-M47 HydrophobicContact CE1-CE 4.07Å; F42-M47 HydrophobicContact CE1-SD 3.96Å; F42-M47 HydrophobicContact CE2-SD 4.43Å; F42-M47 HydrophobicContact CZ-CE 4.16Å; F42-M47 HydrophobicContact CZ-SD 3.49Å; F42-M47 WeakPolarHBondContact CZ-SD 3.5Å; D43-M47 PolarHBondContact O-N 3.32Å; L45-M47 VanDerWaalsContact C-N 3.31Å; L45-M47 PolarHBondContact O-N 2.75Å; M47-M49 PolarHBondContact O-N 3.39Å; M47-S50 WeakPolarHBondContact O-CB 3.21Å; M47-S50 PolarHBondContact O-N 3.25Å; M47-Y51 PolarHBondContact O-N 3.46Å; M47-I156 HydrophobicContact CE-CB 4.43Å; M47-I156 HydrophobicContact CE-CD1 3.68Å; M47-I156 HydrophobicContact CE-CG1 3.71Å; M47-I156 HydrophobicContact CE-CG2 3.9Å; M47-L159 HydrophobicContact CE-CD2 4.32Å
48V71.3Confident66.2Low4 Ų484.3 Ų84.32%0.02445%0.447CS..Hα-helixtrans-62.7-42.7178.4168.50000111.7L44 L45 S50 Y51 K52 E155 I156L44-V48 WeakPolarHBondContact O-CG2 3.29Å; L44-V48 PolarHBondContact O-N 3.07Å; L44-V48 VanDerWaalsContact O-N 3.16Å; L45-V48 PolarHBondContact O-N 3.31Å; V48-S50 VanDerWaalsContact C-N 3.28Å; V48-S50 PolarHBondContact O-N 3.19Å; V48-Y51 PolarHBondContact O-N 3.18Å; V48-K52 HydrophobicContact CG1-CD 4.35Å; V48-K52 PolarHBondContact O-N 2.8Å; V48-E155 VanDerWaalsContact CG1-OE2 3.25Å; V48-E155 WeakPolarHBondContact CG1-OE2 3.33Å; V48-I156 HydrophobicContact CG2-CD1 3.66Å; V48-I156 HydrophobicContact CG2-CG1 3.53Å
49M69.7Low68Low23 Ų2384.1 Ų84.111%0.11344%0.436CS..Hα-helixtrans-64.1-34.2175.7-166.7-167.1-57.600112.1L45 M47 R53 L142 Q143L45-M49 WeakPolarHBondContact O-CB 3.47Å; L45-M49 PolarHBondContact O-N 3.37Å; M47-M49 PolarHBondContact O-N 3.39Å; M49-R53 WeakPolarHBondContact O-CB 3.28Å; M49-R53 PolarHBondContact O-N 2.85Å; M49-R53 VanDerWaalsContact O-N 3.08Å; M49-L142 HydrophobicContact CB-CD2 4.39Å; M49-L142 HydrophobicContact CG-CD2 3.95Å; M49-Q143 HydrophobicContact CE-CG 3.91Å; M49-Q143 HydrophobicContact SD-CG 4.04Å
50S69.3Low69.5Low66 Ų6683.1 Ų83.146%0.46243%0.429SS..Hα-helixtrans-70.8-42.3175-60.90000111.7N46 M47 V48 R53 M54N46-S50 VanDerWaalsContact O-CB 3.25Å; N46-S50 WeakPolarHBondContact O-CB 3.14Å; N46-S50 PolarHBondContact O-N 2.77Å; N46-S50 PolarHBondContact O-OG 2.82Å; M47-S50 WeakPolarHBondContact O-CB 3.21Å; M47-S50 PolarHBondContact O-N 3.25Å; V48-S50 VanDerWaalsContact C-N 3.28Å; V48-S50 PolarHBondContact O-N 3.19Å; S50-R53 PolarHBondContact O-N 3.17Å; S50-M54 WeakPolarHBondContact O-CB 3.29Å; S50-M54 PolarHBondContact O-N 3.23Å
51Y72.5Confident70.6Confident68 Ų6881.1 Ų81.127%0.26741%0.414SS..Hα-helixtrans-62.5-51.7175.3169.1-118.8000112M47 V48 R53 M54 A55 L159M47-Y51 PolarHBondContact O-N 3.46Å; V48-Y51 PolarHBondContact O-N 3.18Å; Y51-R53 VanDerWaalsContact C-N 3.27Å; Y51-R53 PolarHBondContact O-N 3.05Å; Y51-M54 HydrophobicContact CD2-CE 4.21Å; Y51-M54 CarbonylContact O-C 3.3Å; Y51-M54 WeakPolarHBondContact O-CA 3.36Å; Y51-M54 WeakPolarHBondContact O-CB 3.34Å; Y51-M54 PolarHBondContact O-N 3.1Å; Y51-A55 PolarHBondContact O-N 3Å; Y51-L159 HydrophobicContact CD1-CD1 4.17Å; Y51-L159 HydrophobicContact CD1-CD2 4.23Å; Y51-L159 HydrophobicContact CD2-CD1 3.48Å; Y51-L159 VanDerWaalsContact CD2-CD1 3.48Å; Y51-L159 HydrophobicContact CD2-CD2 4.48Å; Y51-L159 HydrophobicContact CE1-CD1 4.27Å; Y51-L159 HydrophobicContact CE2-CD1 3.61Å; Y51-L159 HydrophobicContact CG-CD1 3.78Å; Y51-L159 HydrophobicContact CG-CD2 3.97Å; Y51-L159 HydrophobicContact CG-CG 4.41Å
52K72.4Confident72Confident55 Ų5578.2 Ų78.224%0.23940%0.402CS..Hα-helixtrans-61.5-35177.6-77.6-179.4167.4168.10112.5V48 A55 L56 L142 E155V48-K52 HydrophobicContact CG1-CD 4.35Å; V48-K52 PolarHBondContact O-N 2.8Å; K52-A55 PolarHBondContact O-N 3.13Å; K52-L56 WeakPolarHBondContact O-CG 3.37Å; K52-L56 PolarHBondContact O-N 3.36Å; K52-L142 HydrophobicContact CB-CD1 3.97Å; K52-L142 HydrophobicContact CB-CD2 3.81Å; K52-L142 HydrophobicContact CB-CG 4.46Å; K52-L142 HydrophobicContact CD-CD1 4.18Å; K52-L142 HydrophobicContact CD-CD2 3.86Å; K52-L142 HydrophobicContact CD-CG 4.17Å; K52-L142 HydrophobicContact CG-CD2 4.45Å; K52-E155 WeakPolarHBondContact CE-OE1 3.36Å; K52-E155 WeakPolarHBondContact CE-OE2 3.06Å; K52-E155 IonicContact NZ-OE1 3.63Å; K52-E155 PolarHBondContact NZ-OE1 2.92Å; K52-E155 IonicContact NZ-OE2 3.44Å; K52-E155 PolarHBondContact NZ-OE2 2.83Å
53R72.7Confident73.2Confident110 Ų11076 Ų7642%0.41540%0.397SS..Hα-helixtrans-63.5-40.7170.5-174.5-174-56.7179.26.8112.1M49 S50 Y51 F57M49-R53 WeakPolarHBondContact O-CB 3.28Å; M49-R53 PolarHBondContact O-N 2.85Å; M49-R53 VanDerWaalsContact O-N 3.08Å; S50-R53 PolarHBondContact O-N 3.17Å; Y51-R53 VanDerWaalsContact C-N 3.27Å; Y51-R53 PolarHBondContact O-N 3.05Å; R53-F57 HydrophobicContact CG-CD2 4.03Å; R53-F57 HydrophobicContact CG-CE2 3.63Å; R53-F57 WeakPolarHBondContact O-CD2 3.35Å; R53-F57 PolarHBondContact O-N 3.18Å
54M73Confident73.9Confident104 Ų10474.4 Ų74.451%0.51239%0.394SS..Hα-helixtrans-66.4-41.7176.1-171176.170.100111.5S50 Y51 L56 F57 L58S50-M54 WeakPolarHBondContact O-CB 3.29Å; S50-M54 PolarHBondContact O-N 3.23Å; Y51-M54 HydrophobicContact CD2-CE 4.21Å; Y51-M54 CarbonylContact O-C 3.3Å; Y51-M54 WeakPolarHBondContact O-CA 3.36Å; Y51-M54 WeakPolarHBondContact O-CB 3.34Å; Y51-M54 PolarHBondContact O-N 3.1Å; M54-L56 PolarHBondContact O-N 2.86Å; M54-F57 CarbonylContact O-C 3.56Å; M54-F57 PolarHBondContact O-N 2.68Å; M54-F57 VanDerWaalsContact O-N 3.1Å; M54-L58 HydrophobicContact CG-CD1 4.24Å; M54-L58 PolarHBondContact O-N 3.04Å
55A73.9Confident74.7Confident42 Ų4274.3 Ų74.335%0.34740%0.397SS..Hα-helixtrans-59-46.4175.300000112Y51 K52 F57 L58 E59Y51-A55 PolarHBondContact O-N 3Å; K52-A55 PolarHBondContact O-N 3.13Å; A55-F57 PolarHBondContact O-N 3.44Å; A55-L58 CarbonylContact O-C 3.48Å; A55-L58 WeakPolarHBondContact O-CA 3.17Å; A55-L58 PolarHBondContact O-N 2.95Å; A55-E59 PolarHBondContact O-N 3.06Å
56L72.1Confident75.7Confident59 Ų5972.8 Ų72.831%0.30939%0.387SS..Hα-helixtrans-63.6-22.6174.9-70.4165.9000114K52 M54 L142K52-L56 WeakPolarHBondContact O-CG 3.37Å; K52-L56 PolarHBondContact O-N 3.36Å; M54-L56 PolarHBondContact O-N 2.86Å; L56-L142 HydrophobicContact CD1-CD1 4.32Å
57F72.3Confident76.5Confident149 Ų14973.8 Ų73.865%0.65439%0.392SS*.Hα-helixtrans-88-21.6171.1-72-50.7000113.1R53 M54 A55R53-F57 HydrophobicContact CG-CD2 4.03Å; R53-F57 HydrophobicContact CG-CE2 3.63Å; R53-F57 WeakPolarHBondContact O-CD2 3.35Å; R53-F57 PolarHBondContact O-N 3.18Å; M54-F57 CarbonylContact O-C 3.56Å; M54-F57 PolarHBondContact O-N 2.68Å; M54-F57 VanDerWaalsContact O-N 3.1Å; A55-F57 PolarHBondContact O-N 3.44Å
58L76Confident77.1Confident87 Ų8775.5 Ų75.546%0.45540%0.401SS..Hα-helixtrans-84.1-24.7173.3-103.163.8000112.9M54 A55 V61 V62M54-L58 HydrophobicContact CG-CD1 4.24Å; M54-L58 PolarHBondContact O-N 3.04Å; A55-L58 CarbonylContact O-C 3.48Å; A55-L58 WeakPolarHBondContact O-CA 3.17Å; A55-L58 PolarHBondContact O-N 2.95Å; L58-V61 CarbonylContact O-C 3.5Å; L58-V61 WeakPolarHBondContact O-CA 3.41Å; L58-V61 VanDerWaalsContact O-CB 3.3Å; L58-V61 WeakPolarHBondContact O-CB 3.35Å; L58-V61 PolarHBondContact O-N 2.84Å; L58-V62 PolarHBondContact O-N 2.93Å
59E76.1Confident77.7Confident97 Ų9780.9 Ų80.945%0.45342%0.421SS..Hα-helixtrans-41.5-55.8176.3-172.2174-154.900113.4A55 V61 V62 D63A55-E59 PolarHBondContact O-N 3.06Å; E59-V61 VanDerWaalsContact C-N 3.25Å; E59-V61 PolarHBondContact O-N 3.5Å; E59-V62 PolarHBondContact O-N 3.14Å; E59-V62 VanDerWaalsContact O-N 3.15Å; E59-D63 PolarHBondContact O-N 3.36Å
60P79.8Confident78.4Confident79 Ų7985.9 Ų85.951%0.51344%0.439SS..Hα-helixtrans-67.5-19.3176.828.1-37.4000114.7A64P60-A64 WeakPolarHBondContact O-CB 3.43Å; P60-A64 PolarHBondContact O-N 3.29Å; P60-A64 VanDerWaalsContact O-N 3.17Å
61V80.4Confident79.1Confident84 Ų8484.3 Ų84.351%0.50943%0.426SS..Hα-helixtrans-80.6-38.7173.5-173.80000110.3L58 E59 A64 V65L58-V61 CarbonylContact O-C 3.5Å; L58-V61 WeakPolarHBondContact O-CA 3.41Å; L58-V61 VanDerWaalsContact O-CB 3.3Å; L58-V61 WeakPolarHBondContact O-CB 3.35Å; L58-V61 PolarHBondContact O-N 2.84Å; E59-V61 VanDerWaalsContact C-N 3.25Å; E59-V61 PolarHBondContact O-N 3.5Å; V61-A64 PolarHBondContact O-N 3.47Å; V61-V65 WeakPolarHBondContact O-CB 3.41Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.48Å; V61-V65 PolarHBondContact O-N 3.36Å
62V79.8Confident79.7Confident79 Ų7983.4 Ų83.448%0.47943%0.425SS..Hα-helixtrans-63.2-47.4172.5175.80000109.7L58 E59 A64 V65 E66L58-V62 PolarHBondContact O-N 2.93Å; E59-V62 PolarHBondContact O-N 3.14Å; E59-V62 VanDerWaalsContact O-N 3.15Å; V62-A64 VanDerWaalsContact C-N 3.33Å; V62-A64 PolarHBondContact O-N 3.22Å; V62-V65 PolarHBondContact O-N 3.02Å; V62-E66 VanDerWaalsContact O-CB 3.3Å; V62-E66 WeakPolarHBondContact O-CB 3.39Å; V62-E66 PolarHBondContact O-N 2.82Å
63D83.1Confident80.2Confident105 Ų10581.2 Ų81.256%0.56142%0.419SS*.Hα-helixtrans-56.8-44174.3-71.3-19.8000112E59 E66 L67E59-D63 PolarHBondContact O-N 3.36Å; D63-E66 PolarHBondContact O-N 2.83Å; D63-L67 WeakPolarHBondContact O-CB 3.4Å; D63-L67 PolarHBondContact O-N 3.12Å
64A81.9Confident80.7Confident45 Ų4576.4 Ų76.437%0.37240%0.4SS..Hα-helixtrans-66.3-41.9177.700000112.3P60 V61 V62 E66 L67 I68P60-A64 WeakPolarHBondContact O-CB 3.43Å; P60-A64 PolarHBondContact O-N 3.29Å; P60-A64 VanDerWaalsContact O-N 3.17Å; V61-A64 PolarHBondContact O-N 3.47Å; V62-A64 VanDerWaalsContact C-N 3.33Å; V62-A64 PolarHBondContact O-N 3.22Å; A64-E66 VanDerWaalsContact C-N 3.34Å; A64-L67 PolarHBondContact O-N 3.23Å; A64-I68 WeakPolarHBondContact O-CB 3.28Å; A64-I68 WeakPolarHBondContact O-CD1 3.49Å; A64-I68 WeakPolarHBondContact O-CG1 3.32Å; A64-I68 PolarHBondContact O-N 3.11Å
65V84.5Confident81.1Confident69 Ų6977.7 Ų77.742%0.41840%0.403SS..Hα-helixtrans-68.2-34.4176.21680000111.5V61 V62 R69V61-V65 WeakPolarHBondContact O-CB 3.41Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.48Å; V61-V65 PolarHBondContact O-N 3.36Å; V62-V65 PolarHBondContact O-N 3.02Å; V65-R69 WeakPolarHBondContact O-CB 2.99Å; V65-R69 WeakPolarHBondContact O-CG 3.41Å; V65-R69 PolarHBondContact O-N 2.95Å; V65-R69 PolarHBondContact O-NE 3.03Å
66E87.1Confident81.5Confident63 Ų6381.5 Ų81.529%0.29442%0.415SS..Hα-helixtrans-69.1-45.2173.5-166.164.6-112.200111.1V62 D63 A64 I68 R69 Y70V62-E66 VanDerWaalsContact O-CB 3.3Å; V62-E66 WeakPolarHBondContact O-CB 3.39Å; V62-E66 PolarHBondContact O-N 2.82Å; D63-E66 PolarHBondContact O-N 2.83Å; A64-E66 VanDerWaalsContact C-N 3.34Å; E66-I68 VanDerWaalsContact C-N 3.33Å; E66-I68 PolarHBondContact O-N 2.78Å; E66-R69 CarbonylContact O-C 3.48Å; E66-R69 WeakPolarHBondContact O-CA 3.48Å; E66-R69 PolarHBondContact O-N 3.13Å; E66-R69 VanDerWaalsContact O-N 3.07Å; E66-R69 IonicContact OE1-CZ 3.07Å; E66-R69 IonicContact OE1-NH1 3.05Å; E66-R69 PolarHBondContact OE1-NH1 2.94Å; E66-R69 IonicContact OE1-NH2 3.64Å; E66-R69 IonicContact OE2-CZ 2.77Å; E66-R69 IonicContact OE2-NH1 2.71Å; E66-R69 PolarHBondContact OE2-NH1 3.16Å; E66-R69 IonicContact OE2-NH2 3.78Å; E66-R69 PolarHBondContact OE2-NH2 3.47Å; E66-Y70 HydrophobicContact CG-CD2 3.88Å; E66-Y70 HydrophobicContact CG-CE2 3.55Å; E66-Y70 VanDerWaalsContact O-CD2 3.28Å; E66-Y70 WeakPolarHBondContact O-CD2 3.29Å; E66-Y70 PolarHBondContact O-N 3.31Å
67L85.9Confident81.9Confident104 Ų10481.2 Ų81.255%0.54542%0.417SS..Hα-helixtrans-59-42.6173.4178.261.7000112.1D63 A64 R69 Y70 L71D63-L67 WeakPolarHBondContact O-CB 3.4Å; D63-L67 PolarHBondContact O-N 3.12Å; A64-L67 PolarHBondContact O-N 3.23Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-Y70 PolarHBondContact O-N 2.89Å; L67-L71 HydrophobicContact CD1-CD1 4.41Å; L67-L71 HydrophobicContact CG-CD1 4.31Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 2.96Å
68I84.9Confident82.4Confident93 Ų9378.9 Ų78.948%0.47741%0.414SS..Hα-helixtrans-60.5-44.2173.2-72.1163.9000110.3A64 E66 L71 L72A64-I68 WeakPolarHBondContact O-CB 3.28Å; A64-I68 WeakPolarHBondContact O-CD1 3.49Å; A64-I68 WeakPolarHBondContact O-CG1 3.32Å; A64-I68 PolarHBondContact O-N 3.11Å; E66-I68 VanDerWaalsContact C-N 3.33Å; E66-I68 PolarHBondContact O-N 2.78Å; I68-L71 PolarHBondContact O-N 2.83Å; I68-L72 HydrophobicContact CG2-CD1 3.69Å; I68-L72 HydrophobicContact CG2-CG 4.35Å; I68-L72 WeakPolarHBondContact O-CB 3.48Å; I68-L72 VanDerWaalsContact O-CG 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.39Å; I68-L72 PolarHBondContact O-N 2.89Å
69R84.9Confident82.9Confident117 Ų11777.2 Ų77.244%0.44241%0.409SS..Hα-helixtrans-67.5-31.5175.6-76.7-176.5-74.3106.6-0.1113.3V65 E66 L67 G73V65-R69 WeakPolarHBondContact O-CB 2.99Å; V65-R69 WeakPolarHBondContact O-CG 3.41Å; V65-R69 PolarHBondContact O-N 2.95Å; V65-R69 PolarHBondContact O-NE 3.03Å; E66-R69 CarbonylContact O-C 3.48Å; E66-R69 WeakPolarHBondContact O-CA 3.48Å; E66-R69 PolarHBondContact O-N 3.13Å; E66-R69 VanDerWaalsContact O-N 3.07Å; E66-R69 IonicContact OE1-CZ 3.07Å; E66-R69 IonicContact OE1-NH1 3.05Å; E66-R69 PolarHBondContact OE1-NH1 2.94Å; E66-R69 IonicContact OE1-NH2 3.64Å; E66-R69 IonicContact OE2-CZ 2.77Å; E66-R69 IonicContact OE2-NH1 2.71Å; E66-R69 PolarHBondContact OE2-NH1 3.16Å; E66-R69 IonicContact OE2-NH2 3.78Å; E66-R69 PolarHBondContact OE2-NH2 3.47Å; L67-R69 VanDerWaalsContact C-N 3.34Å; R69-G73 VanDerWaalsContact O-CA 3.31Å; R69-G73 WeakPolarHBondContact O-CA 3.06Å; R69-G73 PolarHBondContact O-N 3.28Å
70Y84.6Confident83.5Confident128 Ų12872.6 Ų72.650%0.50239%0.388SS..Hα-helixtrans-67.1-40.7172.6-85.1-61.4000112.7E66 L67 W74 K75E66-Y70 HydrophobicContact CG-CD2 3.88Å; E66-Y70 HydrophobicContact CG-CE2 3.55Å; E66-Y70 VanDerWaalsContact O-CD2 3.28Å; E66-Y70 WeakPolarHBondContact O-CD2 3.29Å; E66-Y70 PolarHBondContact O-N 3.31Å; L67-Y70 PolarHBondContact O-N 2.89Å; Y70-W74 PolarHBondContact O-N 3.02Å; Y70-K75 HydrophobicContact CD1-CB 3.84Å; Y70-K75 HydrophobicContact CD1-CG 3.78Å; Y70-K75 HydrophobicContact CE1-CG 4.35Å; Y70-K75 PolarHBondContact O-N 2.93Å
71L84Confident83.8Confident33 Ų3373.1 Ų73.117%0.17339%0.386CS..Hα-helixtrans-70.5-46.9177-69.9167.7000111.9L67 I68 G73 W74 C79 S80 V83 F220L67-L71 HydrophobicContact CD1-CD1 4.41Å; L67-L71 HydrophobicContact CG-CD1 4.31Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 2.96Å; I68-L71 PolarHBondContact O-N 2.83Å; L71-G73 VanDerWaalsContact C-N 3.26Å; L71-G73 PolarHBondContact O-N 3.46Å; L71-W74 PolarHBondContact O-N 3.04Å; L71-C79 HydrophobicContact CD2-CB 4.47Å; L71-S80 WeakPolarHBondContact O-CB 3.3Å; L71-S80 PolarHBondContact O-OG 3.06Å; L71-S80 VanDerWaalsContact O-OG 3.11Å; L71-V83 HydrophobicContact CD2-CG2 4.37Å; L71-F220 HydrophobicContact CB-CE1 4.45Å
72L83.4Confident84.1Confident49 Ų4974.6 Ų74.626%0.25739%0.39SS..Hα-helixtrans-68.7-27.2175-63.9173.5000112.4I68 W74 V219 F220 N223I68-L72 HydrophobicContact CG2-CD1 3.69Å; I68-L72 HydrophobicContact CG2-CG 4.35Å; I68-L72 WeakPolarHBondContact O-CB 3.48Å; I68-L72 VanDerWaalsContact O-CG 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.39Å; I68-L72 PolarHBondContact O-N 2.89Å; L72-W74 VanDerWaalsContact O-CD1 3.32Å; L72-W74 PolarHBondContact O-N 2.93Å; L72-V219 HydrophobicContact CD2-CG1 3.57Å; L72-F220 HydrophobicContact CD2-CD1 4.39Å; L72-F220 HydrophobicContact CD2-CD2 4.06Å; L72-F220 HydrophobicContact CD2-CE1 4.39Å; L72-F220 HydrophobicContact CD2-CE2 4.05Å; L72-F220 HydrophobicContact CD2-CG 4.23Å; L72-F220 HydrophobicContact CD2-CZ 4.23Å; L72-N223 PolarHBondContact O-ND2 3.39Å
73G83.8Confident84.5Confident10 Ų1073.3 Ų73.310%0.10338%0.383CS..THydrogen-bonded Turntrans-77.81.9174.300000114.8R69 L71 K75R69-G73 VanDerWaalsContact O-CA 3.31Å; R69-G73 WeakPolarHBondContact O-CA 3.06Å; R69-G73 PolarHBondContact O-N 3.28Å; L71-G73 VanDerWaalsContact C-N 3.26Å; L71-G73 PolarHBondContact O-N 3.46Å; G73-K75 PolarHBondContact O-N 3.36Å
74W82.8Confident84.8Confident9 Ų968.8 Ų68.83%0.03436%0.359CS..THydrogen-bonded Turntrans51.221.8-178.2-71.781.9000115.2Y70 L71 L72 M76 P77 L81 F220 L221 D225 F226 V229Y70-W74 PolarHBondContact O-N 3.02Å; L71-W74 PolarHBondContact O-N 3.04Å; L72-W74 VanDerWaalsContact O-CD1 3.32Å; L72-W74 PolarHBondContact O-N 2.93Å; W74-M76 PolarHBondContact O-N 2.77Å; W74-P77 HydrophobicContact CE3-CB 4.08Å; W74-P77 WeakPolarHBondContact O-CD 3.24Å; W74-L81 HydrophobicContact CH2-CB 4.23Å; W74-L81 HydrophobicContact CH2-CD1 4.17Å; W74-L81 HydrophobicContact CZ3-CB 4Å; W74-F220 HydrophobicContact CZ2-CB 4.27Å; W74-F220 HydrophobicContact CZ2-CD1 4.31Å; W74-F220 PolarHBondContact NE1-O 3.36Å; W74-L221 HydrophobicContact CZ2-CD2 4.26Å; W74-D225 HydrophobicContact CB-CB 4.48Å; W74-F226 HydrophobicContact CD2-CB 4.3Å; W74-F226 AromaticContact CD2-CD2 3.8Å; W74-F226 HydrophobicContact CD2-CD2 3.8Å; W74-F226 AromaticContact CE2-CD2 3.51Å; W74-F226 AromaticContact CE3-CD2 3.95Å; W74-F226 HydrophobicContact CE3-CD2 3.95Å; W74-F226 HydrophobicContact CG-CB 4.26Å; W74-F226 AromaticContact CH2-CD2 3.62Å; W74-F226 HydrophobicContact CH2-CD2 3.62Å; W74-F226 AromaticContact CH2-CE2 3.7Å; W74-F226 HydrophobicContact CH2-CE2 3.7Å; W74-F226 AromaticContact CZ2-CD2 3.43Å; W74-F226 HydrophobicContact CZ2-CD2 3.43Å; W74-F226 VanDerWaalsContact CZ2-CD2 3.43Å; W74-F226 AromaticContact CZ2-CE2 3.9Å; W74-F226 HydrophobicContact CZ2-CE2 3.9Å; W74-F226 HydrophobicContact CZ2-CG 4.2Å; W74-F226 AromaticContact CZ3-CD2 3.87Å; W74-F226 HydrophobicContact CZ3-CD2 3.87Å; W74-F226 HydrophobicContact CZ3-CE2 4.05Å; W74-V229 HydrophobicContact CB-CG2 4.1Å; W74-V229 HydrophobicContact CE3-CG1 4.36Å
75K82.3Confident85.1Confident131 Ų13170.4 Ų70.457%0.5736%0.364SS*.SBendtrans-66.5-24.4-175.4-59.1-61.6-175.1-178.50112.6Y70 G73Y70-K75 HydrophobicContact CD1-CB 3.84Å; Y70-K75 HydrophobicContact CD1-CG 3.78Å; Y70-K75 HydrophobicContact CE1-CG 4.35Å; Y70-K75 PolarHBondContact O-N 2.93Å; G73-K75 PolarHBondContact O-N 3.36Å
76M81.9Confident85.3Confident122 Ų12273.5 Ų73.560%0.60137%0.372SS*.SBendtrans-120.987.4164.7-64.8-170.576.900108.2W74 V78 C79 S80W74-M76 PolarHBondContact O-N 2.77Å; M76-V78 PolarHBondContact O-N 2.96Å; M76-C79 HydrophobicContact CB-CB 3.97Å; M76-C79 PolarHBondContact O-N 3.44Å; M76-S80 WeakPolarHBondContact O-CB 3.25Å; M76-S80 PolarHBondContact O-N 2.88Å; M76-S80 PolarHBondContact O-OG 3.34Å
77P80.9Confident85.4Confident52 Ų5272.6 Ų72.634%0.33837%0.369SS..Hα-helixtrans-67.1-36.6-163.124.6-34.6000113.1W74 S80 L81 V229W74-P77 HydrophobicContact CE3-CB 4.08Å; W74-P77 WeakPolarHBondContact O-CD 3.24Å; P77-S80 PolarHBondContact O-N 2.97Å; P77-L81 WeakPolarHBondContact O-CB 3.42Å; P77-L81 PolarHBondContact O-N 2.98Å; P77-V229 HydrophobicContact CB-CG1 3.51Å; P77-V229 HydrophobicContact CB-CG2 4.21Å; P77-V229 HydrophobicContact CG-CG1 4.31Å
78V82.8Confident85.5Confident100 Ų10069 Ų6961%0.60635%0.351SS*.Hα-helixtrans-64.7-45.3175.5-178.80000111.2M76 S80 L81 L82M76-V78 PolarHBondContact O-N 2.96Å; V78-S80 VanDerWaalsContact C-N 3.35Å; V78-S80 PolarHBondContact O-N 3.19Å; V78-L81 PolarHBondContact O-N 2.87Å; V78-L82 HydrophobicContact CG1-CD1 3.99Å; V78-L82 HydrophobicContact CG1-CG 4.47Å; V78-L82 WeakPolarHBondContact O-CB 3.33Å; V78-L82 VanDerWaalsContact O-CG 3.27Å; V78-L82 WeakPolarHBondContact O-CG 3.48Å; V78-L82 PolarHBondContact O-N 3.34Å
79C85.4Confident85.6Confident52 Ų5268.7 Ų68.735%0.35135%0.353SS..Hα-helixtrans-64.7-40.7177.1-58.50000111.7L71 M76 L82 V83L71-C79 HydrophobicContact CD2-CB 4.47Å; M76-C79 HydrophobicContact CB-CB 3.97Å; M76-C79 PolarHBondContact O-N 3.44Å; C79-L82 PolarHBondContact O-N 2.83Å; C79-V83 WeakPolarHBondContact O-CB 3.4Å; C79-V83 VanDerWaalsContact O-CG2 3.3Å; C79-V83 WeakPolarHBondContact O-CG2 3.32Å; C79-V83 PolarHBondContact O-N 2.77Å
80S88.9Confident85.7Confident0 Ų066 Ų660%035%0.345CS..Hα-helixtrans-64-43.8178.2-49.80000111.2L71 M76 P77 V78 C84L71-S80 WeakPolarHBondContact O-CB 3.3Å; L71-S80 PolarHBondContact O-OG 3.06Å; L71-S80 VanDerWaalsContact O-OG 3.11Å; M76-S80 WeakPolarHBondContact O-CB 3.25Å; M76-S80 PolarHBondContact O-N 2.88Å; M76-S80 PolarHBondContact O-OG 3.34Å; P77-S80 PolarHBondContact O-N 2.97Å; V78-S80 VanDerWaalsContact C-N 3.35Å; V78-S80 PolarHBondContact O-N 3.19Å; S80-C84 VanDerWaalsContact O-CB 3.28Å; S80-C84 WeakPolarHBondContact O-CB 3.43Å; S80-C84 PolarHBondContact O-N 2.75Å
81L85.8Confident85.8Confident91 Ų9161.6 Ų61.648%0.47633%0.328SS..Hα-helixtrans-63.3-46.9174.3-175.265.5000112W74 P77 V78 V83 C84 V85W74-L81 HydrophobicContact CH2-CB 4.23Å; W74-L81 HydrophobicContact CH2-CD1 4.17Å; W74-L81 HydrophobicContact CZ3-CB 4Å; P77-L81 WeakPolarHBondContact O-CB 3.42Å; P77-L81 PolarHBondContact O-N 2.98Å; V78-L81 PolarHBondContact O-N 2.87Å; L81-V83 PolarHBondContact O-N 3.1Å; L81-C84 PolarHBondContact O-N 3.18Å; L81-V85 HydrophobicContact CD1-CG2 4.28Å; L81-V85 HydrophobicContact CG-CG2 4.45Å; L81-V85 WeakPolarHBondContact O-CB 3.25Å; L81-V85 WeakPolarHBondContact O-CG2 3.48Å; L81-V85 PolarHBondContact O-N 3.22Å
82L87.1Confident85.7Confident115 Ų11562.4 Ų62.460%0.60234%0.336SS*.Hα-helixtrans-62-42.1178.9-74170.7000112V78 C79 F86V78-L82 HydrophobicContact CG1-CD1 3.99Å; V78-L82 HydrophobicContact CG1-CG 4.47Å; V78-L82 WeakPolarHBondContact O-CB 3.33Å; V78-L82 VanDerWaalsContact O-CG 3.27Å; V78-L82 WeakPolarHBondContact O-CG 3.48Å; V78-L82 PolarHBondContact O-N 3.34Å; C79-L82 PolarHBondContact O-N 2.83Å; L82-F86 WeakPolarHBondContact O-CB 3.13Å; L82-F86 PolarHBondContact O-N 2.91Å
83V88.9Confident85.7Confident52 Ų5264.7 Ų64.732%0.31535%0.352SS..Hα-helixtrans-65.3-44175170.20000111L71 C79 L81 F86 L87 F220L71-V83 HydrophobicContact CD2-CG2 4.37Å; C79-V83 WeakPolarHBondContact O-CB 3.4Å; C79-V83 VanDerWaalsContact O-CG2 3.3Å; C79-V83 WeakPolarHBondContact O-CG2 3.32Å; C79-V83 PolarHBondContact O-N 2.77Å; L81-V83 PolarHBondContact O-N 3.1Å; V83-F86 PolarHBondContact O-N 2.87Å; V83-L87 HydrophobicContact CG1-CD1 3.8Å; V83-L87 HydrophobicContact CG1-CG 4.35Å; V83-L87 WeakPolarHBondContact O-CB 3.38Å; V83-L87 VanDerWaalsContact O-CG 3.26Å; V83-L87 WeakPolarHBondContact O-CG 3.37Å; V83-L87 PolarHBondContact O-N 3.28Å; V83-F220 HydrophobicContact CG1-CZ 4Å
84C88.8Confident85.7Confident9 Ų965.5 Ų65.56%0.06135%0.353CS..Hα-helixtrans-60.4-49.8176.3-1770000111.8S80 L81 F86 L87 N88 F220S80-C84 VanDerWaalsContact O-CB 3.28Å; S80-C84 WeakPolarHBondContact O-CB 3.43Å; S80-C84 PolarHBondContact O-N 2.75Å; L81-C84 PolarHBondContact O-N 3.18Å; C84-F86 PolarHBondContact O-N 2.78Å; C84-L87 PolarHBondContact O-N 2.97Å; C84-N88 WeakPolarHBondContact O-CB 3.38Å; C84-N88 PolarHBondContact O-N 2.95Å; C84-N88 PolarHBondContact O-ND2 2.99Å; C84-N88 PolarHBondContact SG-ND2 3.07Å; C84-F220 HydrophobicContact CB-CB 4.34Å; C84-F220 HydrophobicContact CB-CD1 3.86Å; C84-F220 HydrophobicContact CB-CD2 4.25Å; C84-F220 HydrophobicContact CB-CE1 4.18Å; C84-F220 HydrophobicContact CB-CG 3.89Å
85V88Confident85.7Confident80 Ų8069.5 Ų69.549%0.48538%0.379SS..Hα-helixtrans-62.8-43.5178172.10000111.2L81 N88 V89L81-V85 HydrophobicContact CD1-CG2 4.28Å; L81-V85 HydrophobicContact CG-CG2 4.45Å; L81-V85 WeakPolarHBondContact O-CB 3.25Å; L81-V85 WeakPolarHBondContact O-CG2 3.48Å; L81-V85 PolarHBondContact O-N 3.22Å; V85-N88 PolarHBondContact O-N 3Å; V85-V89 HydrophobicContact CG1-CG2 4.45Å; V85-V89 WeakPolarHBondContact O-CG2 3.48Å; V85-V89 PolarHBondContact O-N 3.07Å
86F89.1Confident85.5Confident133 Ų13371.1 Ų71.158%0.58339%0.389SS*.Hα-helixtrans-59.1-47.9175.7174.8-96.5000111.9L82 V83 C84 V89 F90L82-F86 WeakPolarHBondContact O-CB 3.13Å; L82-F86 PolarHBondContact O-N 2.91Å; V83-F86 PolarHBondContact O-N 2.87Å; C84-F86 PolarHBondContact O-N 2.78Å; F86-V89 PolarHBondContact O-N 3.35Å; F86-F90 WeakPolarHBondContact O-CB 3.4Å; F86-F90 PolarHBondContact O-N 3.01Å
87L89.1Confident85.4Confident44 Ų4468.4 Ų68.423%0.2339%0.386CS..Hα-helixtrans-64.3-41179.3-72.1172.5000112.1V83 C84 F90 F91 F220V83-L87 HydrophobicContact CG1-CD1 3.8Å; V83-L87 HydrophobicContact CG1-CG 4.35Å; V83-L87 WeakPolarHBondContact O-CB 3.38Å; V83-L87 VanDerWaalsContact O-CG 3.26Å; V83-L87 WeakPolarHBondContact O-CG 3.37Å; V83-L87 PolarHBondContact O-N 3.28Å; C84-L87 PolarHBondContact O-N 2.97Å; L87-F90 PolarHBondContact O-N 3.38Å; L87-F91 HydrophobicContact CB-CD2 4.46Å; L87-F91 HydrophobicContact CB-CE2 3.98Å; L87-F91 HydrophobicContact CD2-CZ 4.21Å; L87-F91 WeakPolarHBondContact O-CB 3.47Å; L87-F91 WeakPolarHBondContact O-CD2 3.2Å; L87-F91 WeakPolarHBondContact O-CG 3.37Å; L87-F91 PolarHBondContact O-N 2.79Å; L87-F220 HydrophobicContact CD1-CE2 4.32Å
88N88.3Confident85.4Confident30 Ų3066.8 Ų66.816%0.1638%0.378CS..Hα-helixtrans-61.4-48174.4-83.3-86000112.1C84 V85 F90 F91 C92 A213 N216 S217C84-N88 WeakPolarHBondContact O-CB 3.38Å; C84-N88 PolarHBondContact O-N 2.95Å; C84-N88 PolarHBondContact O-ND2 2.99Å; C84-N88 PolarHBondContact SG-ND2 3.07Å; V85-N88 PolarHBondContact O-N 3Å; N88-F90 VanDerWaalsContact C-N 3.33Å; N88-F90 PolarHBondContact O-N 2.8Å; N88-F91 PolarHBondContact O-N 3.38Å; N88-C92 WeakPolarHBondContact O-CB 3.36Å; N88-C92 PolarHBondContact O-N 3.43Å; N88-A213 HydrophobicContact CB-CB 4.46Å; N88-A213 VanDerWaalsContact OD1-C 3.31Å; N88-A213 WeakPolarHBondContact OD1-CA 3.21Å; N88-A213 VanDerWaalsContact OD1-CB 3.32Å; N88-A213 WeakPolarHBondContact OD1-CB 3.49Å; N88-A213 PolarHBondContact OD1-O 3.33Å; N88-N216 PolarHBondContact ND2-OD1 2.93Å; N88-N216 VanDerWaalsContact ND2-OD1 3.1Å; N88-S217 PolarHBondContact ND2-OG 3.24Å; N88-S217 PolarHBondContact OD1-OG 3.46Å
89V86.7Confident85.3Confident85 Ų8565.7 Ų65.752%0.51536%0.363SS..Hα-helixtrans-63-41176.7172.20000110.9V85 F86 C92 T93V85-V89 HydrophobicContact CG1-CG2 4.45Å; V85-V89 WeakPolarHBondContact O-CG2 3.48Å; V85-V89 PolarHBondContact O-N 3.07Å; F86-V89 PolarHBondContact O-N 3.35Å; V89-C92 PolarHBondContact O-N 3.16Å; V89-T93 HydrophobicContact CG1-CG2 4.31Å; V89-T93 WeakPolarHBondContact O-CB 3.2Å; V89-T93 VanDerWaalsContact O-CG2 3.29Å; V89-T93 WeakPolarHBondContact O-CG2 3.25Å; V89-T93 PolarHBondContact O-N 3.06Å; V89-T93 PolarHBondContact O-OG1 3.21Å
90F87Confident85.2Confident62 Ų6270.4 Ų70.427%0.27238%0.378SS..Hα-helixtrans-60.9-52.4177-177.5-120.6000111.1F86 L87 N88 C92 T93 I94 V102F86-F90 WeakPolarHBondContact O-CB 3.4Å; F86-F90 PolarHBondContact O-N 3.01Å; L87-F90 PolarHBondContact O-N 3.38Å; N88-F90 VanDerWaalsContact C-N 3.33Å; N88-F90 PolarHBondContact O-N 2.8Å; F90-C92 VanDerWaalsContact C-N 3.32Å; F90-C92 PolarHBondContact O-N 3.42Å; F90-T93 PolarHBondContact O-N 2.77Å; F90-T93 VanDerWaalsContact O-N 3.11Å; F90-T93 PolarHBondContact O-OG1 2.98Å; F90-I94 HydrophobicContact CD1-CD1 3.66Å; F90-I94 HydrophobicContact CD2-CD1 3.87Å; F90-I94 HydrophobicContact CD2-CG1 4.12Å; F90-I94 HydrophobicContact CE1-CD1 3.57Å; F90-I94 HydrophobicContact CE2-CD1 3.78Å; F90-I94 HydrophobicContact CE2-CG1 4.11Å; F90-I94 HydrophobicContact CG-CD1 3.82Å; F90-I94 HydrophobicContact CG-CG1 4.44Å; F90-I94 HydrophobicContact CZ-CD1 3.64Å; F90-I94 HydrophobicContact CZ-CG1 4.43Å; F90-I94 WeakPolarHBondContact O-CD1 3.45Å; F90-I94 WeakPolarHBondContact O-CG1 3.48Å; F90-I94 PolarHBondContact O-N 2.89Å; F90-V102 HydrophobicContact CE2-CG2 4.16Å; F90-V102 HydrophobicContact CZ-CG1 4.06Å; F90-V102 HydrophobicContact CZ-CG2 3.75Å
91F86.3Confident84.9Confident34 Ų3474.8 Ų74.815%0.14941%0.405CS..Hα-helixtrans-61.5-37.5178.1-61.8-38.9000113L87 N88 T93 W99 G209 L212 A213 N216L87-F91 HydrophobicContact CB-CD2 4.46Å; L87-F91 HydrophobicContact CB-CE2 3.98Å; L87-F91 HydrophobicContact CD2-CZ 4.21Å; L87-F91 WeakPolarHBondContact O-CB 3.47Å; L87-F91 WeakPolarHBondContact O-CD2 3.2Å; L87-F91 WeakPolarHBondContact O-CG 3.37Å; L87-F91 PolarHBondContact O-N 2.79Å; N88-F91 PolarHBondContact O-N 3.38Å; F91-T93 VanDerWaalsContact C-N 3.35Å; F91-T93 PolarHBondContact O-N 2.6Å; F91-W99 AromaticContact CD1-CH2 3.62Å; F91-W99 HydrophobicContact CD1-CH2 3.62Å; F91-W99 HydrophobicContact CD1-CZ2 4.15Å; F91-W99 AromaticContact CE1-CH2 3.86Å; F91-W99 HydrophobicContact CE1-CH2 3.86Å; F91-G209 WeakPolarHBondContact O-CA 3.14Å; F91-L212 HydrophobicContact CB-CB 4.08Å; F91-L212 HydrophobicContact CD1-CB 4.4Å; F91-L212 HydrophobicContact CD2-CB 4.14Å; F91-L212 HydrophobicContact CG-CB 3.96Å; F91-A213 HydrophobicContact CB-CB 4.45Å; F91-N216 HydrophobicContact CD2-CB 4.18Å; F91-N216 HydrophobicContact CE2-CB 3.88Å
92C83.2Confident84.9Confident51 Ų5172.8 Ų72.835%0.34540%0.396SS..Hα-helixtrans-76.2-14.3176.2-710000114.9N88 V89 F90N88-C92 WeakPolarHBondContact O-CB 3.36Å; N88-C92 PolarHBondContact O-N 3.43Å; V89-C92 PolarHBondContact O-N 3.16Å; F90-C92 VanDerWaalsContact C-N 3.32Å; F90-C92 PolarHBondContact O-N 3.42Å
93T82.5Confident84.6Confident97 Ų9770.5 Ų70.560%0.59539%0.39SS*.Hα-helixtrans-107.2-15.5-179.5530000114.3V89 F90 F91 T95V89-T93 HydrophobicContact CG1-CG2 4.31Å; V89-T93 WeakPolarHBondContact O-CB 3.2Å; V89-T93 VanDerWaalsContact O-CG2 3.29Å; V89-T93 WeakPolarHBondContact O-CG2 3.25Å; V89-T93 PolarHBondContact O-N 3.06Å; V89-T93 PolarHBondContact O-OG1 3.21Å; F90-T93 PolarHBondContact O-N 2.77Å; F90-T93 VanDerWaalsContact O-N 3.11Å; F90-T93 PolarHBondContact O-OG1 2.98Å; F91-T93 VanDerWaalsContact C-N 3.35Å; F91-T93 PolarHBondContact O-N 2.6Å; T93-T95 PolarHBondContact O-N 3.03Å
94I83.4Confident84.6Confident26 Ų2672.7 Ų72.713%0.13340%0.403CS..  trans-70.1119.9173.5-67.6159.7000110.7F90 W99F90-I94 HydrophobicContact CD1-CD1 3.66Å; F90-I94 HydrophobicContact CD2-CD1 3.87Å; F90-I94 HydrophobicContact CD2-CG1 4.12Å; F90-I94 HydrophobicContact CE1-CD1 3.57Å; F90-I94 HydrophobicContact CE2-CD1 3.78Å; F90-I94 HydrophobicContact CE2-CG1 4.11Å; F90-I94 HydrophobicContact CG-CD1 3.82Å; F90-I94 HydrophobicContact CG-CG1 4.44Å; F90-I94 HydrophobicContact CZ-CD1 3.64Å; F90-I94 HydrophobicContact CZ-CG1 4.43Å; F90-I94 WeakPolarHBondContact O-CD1 3.45Å; F90-I94 WeakPolarHBondContact O-CG1 3.48Å; F90-I94 PolarHBondContact O-N 2.89Å; I94-W99 HydrophobicContact CB-CZ2 4.48Å; I94-W99 HydrophobicContact CD1-CH2 4.15Å; I94-W99 HydrophobicContact CD1-CZ2 4.11Å; I94-W99 HydrophobicContact CD1-CZ3 4.4Å; I94-W99 HydrophobicContact CG2-CB 4.37Å; I94-W99 HydrophobicContact CG2-CD2 3.75Å; I94-W99 HydrophobicContact CG2-CG 3.62Å; I94-W99 HydrophobicContact CG2-CZ2 4.31Å
95T82.3Confident84.6Confident94 Ų9476 Ų7658%0.57742%0.423SS*.  trans-78.1166.3165.961.30000111.4T93 A97 G98 W99T93-T95 PolarHBondContact O-N 3.03Å; T95-A97 PolarHBondContact O-N 2.9Å; T95-G98 WeakPolarHBondContact O-CA 3.14Å; T95-G98 PolarHBondContact O-N 3.08Å; T95-G98 PolarHBondContact OG1-N 2.94Å; T95-W99 PolarHBondContact O-N 3.29Å
96E78.5Confident84.6Confident164 Ų16475.3 Ų75.377%0.76643%0.426SS*.Hα-helixtrans-51.5-42.9176.3-63.3179.517500112.8G98 W99 F100E96-G98 VanDerWaalsContact C-N 3.32Å; E96-G98 PolarHBondContact O-N 3.31Å; E96-W99 PolarHBondContact O-N 3.12Å; E96-F100 VanDerWaalsContact O-CD2 3.27Å; E96-F100 WeakPolarHBondContact O-CD2 3.33Å
97A79.8Confident84.6Confident66 Ų6674.5 Ų74.555%0.54543%0.431SS..Hα-helixtrans-65.1-33.6173.800000113T95 W99 F100 T101T95-A97 PolarHBondContact O-N 2.9Å; A97-W99 VanDerWaalsContact C-N 3.34Å; A97-W99 PolarHBondContact O-N 2.76Å; A97-F100 PolarHBondContact O-N 3.42Å; A97-T101 PolarHBondContact O-N 2.92Å; A97-T101 PolarHBondContact O-OG1 3.4Å
98G81.8Confident84.5Confident17 Ų1775 Ų7518%0.17544%0.439CS..Hα-helixtrans-62.8-3517700000113.3T95 E96 F100 T101 V102T95-G98 WeakPolarHBondContact O-CA 3.14Å; T95-G98 PolarHBondContact O-N 3.08Å; T95-G98 PolarHBondContact OG1-N 2.94Å; E96-G98 VanDerWaalsContact C-N 3.32Å; E96-G98 PolarHBondContact O-N 3.31Å; G98-F100 VanDerWaalsContact C-N 3.31Å; G98-F100 PolarHBondContact O-N 2.91Å; G98-T101 PolarHBondContact O-N 2.88Å; G98-V102 WeakPolarHBondContact O-CG2 3.41Å; G98-V102 PolarHBondContact O-N 3.49Å
99W80.7Confident84.6Confident78 Ų7875.3 Ų75.330%0.29545%0.445SS..Hα-helixtrans-61-38.9175.7-75.1106.3000112.6F91 I94 T95 E96 A97 S103 L212F91-W99 AromaticContact CD1-CH2 3.62Å; F91-W99 HydrophobicContact CD1-CH2 3.62Å; F91-W99 HydrophobicContact CD1-CZ2 4.15Å; F91-W99 AromaticContact CE1-CH2 3.86Å; F91-W99 HydrophobicContact CE1-CH2 3.86Å; I94-W99 HydrophobicContact CB-CZ2 4.48Å; I94-W99 HydrophobicContact CD1-CH2 4.15Å; I94-W99 HydrophobicContact CD1-CZ2 4.11Å; I94-W99 HydrophobicContact CD1-CZ3 4.4Å; I94-W99 HydrophobicContact CG2-CB 4.37Å; I94-W99 HydrophobicContact CG2-CD2 3.75Å; I94-W99 HydrophobicContact CG2-CG 3.62Å; I94-W99 HydrophobicContact CG2-CZ2 4.31Å; T95-W99 PolarHBondContact O-N 3.29Å; E96-W99 PolarHBondContact O-N 3.12Å; A97-W99 VanDerWaalsContact C-N 3.34Å; A97-W99 PolarHBondContact O-N 2.76Å; W99-S103 WeakPolarHBondContact O-CB 3.25Å; W99-S103 PolarHBondContact O-N 2.68Å; W99-S103 PolarHBondContact O-OG 3.18Å; W99-L212 HydrophobicContact CH2-CD1 3.64Å; W99-L212 HydrophobicContact CZ2-CD1 3.44Å; W99-L212 VanDerWaalsContact CZ2-CD1 3.44Å
100F82.7Confident84.5Confident151 Ų15175.2 Ų75.266%0.66245%0.447SS*.Hα-helixtrans-66.7-44.4173.5-64.2-79.9000111.4E96 A97 G98 V102 S103 V104E96-F100 VanDerWaalsContact O-CD2 3.27Å; E96-F100 WeakPolarHBondContact O-CD2 3.33Å; A97-F100 PolarHBondContact O-N 3.42Å; G98-F100 VanDerWaalsContact C-N 3.31Å; G98-F100 PolarHBondContact O-N 2.91Å; F100-V102 PolarHBondContact O-N 3.18Å; F100-S103 PolarHBondContact O-N 3.16Å; F100-V104 WeakPolarHBondContact O-CG2 3.47Å; F100-V104 PolarHBondContact O-N 2.82Å
101T83.7Confident84.5Confident91 Ų9175.5 Ų75.556%0.55846%0.46SS*.Hα-helixtrans-59.6-46.3176.4-54.20000111.9A97 G98 S103 V104 V105A97-T101 PolarHBondContact O-N 2.92Å; A97-T101 PolarHBondContact O-OG1 3.4Å; G98-T101 PolarHBondContact O-N 2.88Å; T101-S103 VanDerWaalsContact C-N 3.35Å; T101-S103 PolarHBondContact O-N 3.18Å; T101-V104 PolarHBondContact O-N 2.94Å; T101-V105 WeakPolarHBondContact O-CB 3.47Å; T101-V105 VanDerWaalsContact O-CG2 3.3Å; T101-V105 WeakPolarHBondContact O-CG2 3.47Å; T101-V105 PolarHBondContact O-N 3.09Å
102V85.5Confident84.5Confident49 Ų4976 Ų7630%0.29747%0.471SS..Hα-helixtrans-61.9-42.2176.5170.60000111F90 G98 F100 V105 A106F90-V102 HydrophobicContact CE2-CG2 4.16Å; F90-V102 HydrophobicContact CZ-CG1 4.06Å; F90-V102 HydrophobicContact CZ-CG2 3.75Å; G98-V102 WeakPolarHBondContact O-CG2 3.41Å; G98-V102 PolarHBondContact O-N 3.49Å; F100-V102 PolarHBondContact O-N 3.18Å; V102-V105 PolarHBondContact O-N 3.01Å; V102-A106 WeakPolarHBondContact O-CB 3.41Å; V102-A106 PolarHBondContact O-N 3.09Å
103S81.5Confident84.5Confident68 Ų6878.4 Ų78.448%0.47648%0.48SS..Hα-helixtrans-64.8-43.1177.6-58.10000112.3W99 F100 T101 A106 V107W99-S103 WeakPolarHBondContact O-CB 3.25Å; W99-S103 PolarHBondContact O-N 2.68Å; W99-S103 PolarHBondContact O-OG 3.18Å; F100-S103 PolarHBondContact O-N 3.16Å; T101-S103 VanDerWaalsContact C-N 3.35Å; T101-S103 PolarHBondContact O-N 3.18Å; S103-A106 PolarHBondContact O-N 2.76Å; S103-V107 PolarHBondContact O-N 2.99Å
104V88.7Confident84.5Confident97 Ų9775.5 Ų75.559%0.58847%0.469SS*.Hα-helixtrans-63.6-42.8174.8170.30000110.7F100 T101 V107 S108F100-V104 WeakPolarHBondContact O-CG2 3.47Å; F100-V104 PolarHBondContact O-N 2.82Å; T101-V104 PolarHBondContact O-N 2.94Å; V104-V107 PolarHBondContact O-N 2.88Å; V104-S108 WeakPolarHBondContact O-CB 3.35Å; V104-S108 PolarHBondContact O-N 3.31Å; V104-S108 PolarHBondContact O-OG 3.21Å
105V88.8Confident84.6Confident80 Ų8080.4 Ų80.449%0.48549%0.486SS..Hα-helixtrans-65.1-41.5175.8170.80000111.5T101 V102 V107 S108 A109T101-V105 WeakPolarHBondContact O-CB 3.47Å; T101-V105 VanDerWaalsContact O-CG2 3.3Å; T101-V105 WeakPolarHBondContact O-CG2 3.47Å; T101-V105 PolarHBondContact O-N 3.09Å; V102-V105 PolarHBondContact O-N 3.01Å; V105-V107 VanDerWaalsContact C-N 3.3Å; V105-V107 PolarHBondContact O-N 3.22Å; V105-S108 PolarHBondContact O-N 3.28Å; V105-A109 HydrophobicContact CG1-CB 4.32Å; V105-A109 WeakPolarHBondContact O-CB 3.15Å; V105-A109 PolarHBondContact O-N 2.86Å
106A87.2Confident84.5Confident64 Ų6480.9 Ų80.953%0.52949%0.485SS..Hα-helixtrans-62.6-33.9179.500000113.3V102 S103 P110V102-A106 WeakPolarHBondContact O-CB 3.41Å; V102-A106 PolarHBondContact O-N 3.09Å; S103-A106 PolarHBondContact O-N 2.76Å; A106-P110 WeakPolarHBondContact O-CD 3.5Å; A106-P110 WeakPolarHBondContact O-CG 3.22Å
107V89.3Confident84.5Confident116 Ų11678 Ų7870%0.70347%0.472SS*.Hα-helixtrans-85.1-40.6176.1177.80000111.8S103 V104 V105S103-V107 PolarHBondContact O-N 2.99Å; V104-V107 PolarHBondContact O-N 2.88Å; V105-V107 VanDerWaalsContact C-N 3.3Å; V105-V107 PolarHBondContact O-N 3.22Å
108S87.1Confident84.4Confident56 Ų5680.1 Ų80.139%0.39247%0.474SS..Hα-helixtrans-81.6-29.5-175.164.20000114.1V104 V105 A111 A112V104-S108 WeakPolarHBondContact O-CB 3.35Å; V104-S108 PolarHBondContact O-N 3.31Å; V104-S108 PolarHBondContact O-OG 3.21Å; V105-S108 PolarHBondContact O-N 3.28Å; S108-A111 PolarHBondContact O-N 3.01Å; S108-A112 WeakPolarHBondContact O-CB 3.31Å; S108-A112 PolarHBondContact O-N 3.47Å
109A89.4Confident84Confident36 Ų3687 Ų8730%0.29849%0.494SS..Hα-helixtrans-66.1-44.4-179.400000112.9V105 A111 A112 L113V105-A109 HydrophobicContact CG1-CB 4.32Å; V105-A109 WeakPolarHBondContact O-CB 3.15Å; V105-A109 PolarHBondContact O-N 2.86Å; A109-A111 VanDerWaalsContact C-N 3.32Å; A109-A111 PolarHBondContact O-N 3.08Å; A109-A112 PolarHBondContact O-N 2.97Å; A109-L113 VanDerWaalsContact O-CB 3.24Å; A109-L113 WeakPolarHBondContact O-CB 3.38Å; A109-L113 WeakPolarHBondContact O-CG 3.41Å; A109-L113 PolarHBondContact O-N 3.29Å
110P86.4Confident83.3Confident83 Ų8387 Ų8754%0.53951%0.505SS..Hα-helixtrans-61-39.3172.3-24.435.4000112.8A106 G114A106-P110 WeakPolarHBondContact O-CD 3.5Å; A106-P110 WeakPolarHBondContact O-CG 3.22Å; P110-G114 PolarHBondContact O-N 3.42Å
111A86.5Confident82Confident67 Ų6781.7 Ų81.755%0.55449%0.493SS*.Hα-helixtrans-68.3-41.7177.200000112.4S108 A109 G114 Y115S108-A111 PolarHBondContact O-N 3.01Å; A109-A111 VanDerWaalsContact C-N 3.32Å; A109-A111 PolarHBondContact O-N 3.08Å; A111-G114 PolarHBondContact O-N 3.14Å; A111-Y115 WeakPolarHBondContact O-CB 3.16Å; A111-Y115 PolarHBondContact O-N 3.45Å
112A86Confident80.6Confident46 Ų4682.9 Ų82.938%0.3851%0.505SS..Hα-helixtrans-69.6-40.3176.800000111.7S108 A109 Y115 L116S108-A112 WeakPolarHBondContact O-CB 3.31Å; S108-A112 PolarHBondContact O-N 3.47Å; A109-A112 PolarHBondContact O-N 2.97Å; A112-Y115 PolarHBondContact O-N 3.26Å; A112-L116 VanDerWaalsContact O-CB 3.25Å; A112-L116 WeakPolarHBondContact O-CB 3.41Å; A112-L116 WeakPolarHBondContact O-CG 3.48Å; A112-L116 PolarHBondContact O-N 3.44Å
113L83.2Confident79.1Confident101 Ų10191.7 Ų91.753%0.52953%0.533SS..Hα-helixtrans-63.1-42.9171.9-73.8169.8000110.9A109 L116 Q117A109-L113 VanDerWaalsContact O-CB 3.24Å; A109-L113 WeakPolarHBondContact O-CB 3.38Å; A109-L113 WeakPolarHBondContact O-CG 3.41Å; A109-L113 PolarHBondContact O-N 3.29Å; L113-L116 PolarHBondContact O-N 3.42Å; L113-Q117 VanDerWaalsContact O-CB 3.25Å; L113-Q117 WeakPolarHBondContact O-CB 3.25Å; L113-Q117 WeakPolarHBondContact O-CG 3.4Å; L113-Q117 PolarHBondContact O-N 3.37Å
114G82.5Confident77.6Confident35 Ų3590.4 Ų90.436%0.36153%0.527SS..Hα-helixtrans-60.5-45.3173.500000112.8P110 A111 Q117 D118P110-G114 PolarHBondContact O-N 3.42Å; A111-G114 PolarHBondContact O-N 3.14Å; G114-Q117 PolarHBondContact O-N 3.26Å; G114-D118 PolarHBondContact O-N 3.1Å
115Y84.3Confident75.9Confident129 Ų12989.2 Ų89.251%0.50652%0.523SS..Hα-helixtrans-66-39.7176.3-178.6-106.5000112.7A111 A112 D118 R119A111-Y115 WeakPolarHBondContact O-CB 3.16Å; A111-Y115 PolarHBondContact O-N 3.45Å; A112-Y115 PolarHBondContact O-N 3.26Å; Y115-D118 PolarHBondContact O-N 3.23Å; Y115-R119 HydrophobicContact CD1-CG 4.35Å; Y115-R119 HydrophobicContact CD2-CG 4.44Å; Y115-R119 HydrophobicContact CE1-CG 4Å; Y115-R119 HydrophobicContact CE2-CG 4.08Å; Y115-R119 WeakPolarHBondContact O-CB 3.36Å; Y115-R119 VanDerWaalsContact O-CG 3.3Å; Y115-R119 WeakPolarHBondContact O-CG 3.47Å; Y115-R119 PolarHBondContact O-N 3.49Å; Y115-R119 PolarHBondContact OH-NE 2.86Å; Y115-R119 PolarHBondContact OH-NH2 3Å
116L80.1Confident74.4Confident104 Ų10493.4 Ų93.455%0.54554%0.537SS..Hα-helixtrans-69.6-35.6174.7-73.1168.2000111.8A112 L113 D118 C120A112-L116 VanDerWaalsContact O-CB 3.25Å; A112-L116 WeakPolarHBondContact O-CB 3.41Å; A112-L116 WeakPolarHBondContact O-CG 3.48Å; A112-L116 PolarHBondContact O-N 3.44Å; L113-L116 PolarHBondContact O-N 3.42Å; L116-D118 VanDerWaalsContact C-N 3.34Å; L116-C120 WeakPolarHBondContact O-CA 3.34Å; L116-C120 WeakPolarHBondContact O-CB 3.23Å; L116-C120 PolarHBondContact O-N 3.11Å
117Q79.3Confident73Confident104 Ų10493.3 Ų93.349%0.48654%0.536SS..Hα-helixtrans-68.5-30.8172.5-77.4174.64.600112.4L113 G114 G121L113-Q117 VanDerWaalsContact O-CB 3.25Å; L113-Q117 WeakPolarHBondContact O-CB 3.25Å; L113-Q117 WeakPolarHBondContact O-CG 3.4Å; L113-Q117 PolarHBondContact O-N 3.37Å; G114-Q117 PolarHBondContact O-N 3.26Å; Q117-G121 WeakPolarHBondContact O-CA 3.22Å; Q117-G121 PolarHBondContact O-N 2.93Å
118D77.5Confident71.6Confident110 Ų11092 Ų9259%0.58852%0.523SS*.Hα-helixtrans-72.2-52.6172.5-171.667.7000111G114 Y115 L116 G121G114-D118 PolarHBondContact O-N 3.1Å; Y115-D118 PolarHBondContact O-N 3.23Å; L116-D118 VanDerWaalsContact C-N 3.34Å; D118-G121 PolarHBondContact O-N 3.27Å
119R74.6Confident70.4Confident162 Ų16293.6 Ų93.661%0.61153%0.526SS*.Hα-helixtrans-64.7-43.5-179.9-68.2-60.6-162.8160.44.2113.6Y115Y115-R119 HydrophobicContact CD1-CG 4.35Å; Y115-R119 HydrophobicContact CD2-CG 4.44Å; Y115-R119 HydrophobicContact CE1-CG 4Å; Y115-R119 HydrophobicContact CE2-CG 4.08Å; Y115-R119 WeakPolarHBondContact O-CB 3.36Å; Y115-R119 VanDerWaalsContact O-CG 3.3Å; Y115-R119 WeakPolarHBondContact O-CG 3.47Å; Y115-R119 PolarHBondContact O-N 3.49Å; Y115-R119 PolarHBondContact OH-NE 2.86Å; Y115-R119 PolarHBondContact OH-NH2 3Å
120C64.8Low68.9Low77 Ų7797.5 Ų97.552%0.5254%0.538SS..Hα-helixtrans-82.5-17176.7-1530000111.6L116 S122 R123 A124L116-C120 WeakPolarHBondContact O-CA 3.34Å; L116-C120 WeakPolarHBondContact O-CB 3.23Å; L116-C120 PolarHBondContact O-N 3.11Å; C120-S122 PolarHBondContact O-N 2.64Å; C120-R123 CarbonylContact O-C 3.6Å; C120-R123 WeakPolarHBondContact O-CA 3.3Å; C120-R123 PolarHBondContact O-N 3.32Å; C120-A124 WeakPolarHBondContact O-CB 3.45Å; C120-A124 PolarHBondContact O-N 2.84Å
121G55.1Low67.9Low40 Ų4099.3 Ų99.341%0.41254%0.538SS..THydrogen-bonded Turntrans-59-17177.100000115.2Q117 D118 R123Q117-G121 WeakPolarHBondContact O-CA 3.22Å; Q117-G121 PolarHBondContact O-N 2.93Å; D118-G121 PolarHBondContact O-N 3.27Å; G121-R123 PolarHBondContact O-N 2.8Å
122S55.2Low66.8Low116 Ų116102.9 Ų102.981%0.81154%0.537SS*.THydrogen-bonded Turntrans-69.2-11.2168.2-166.90000113.4C120C120-S122 PolarHBondContact O-N 2.64Å
123R54.4Low65.5Low235 Ų235108.3 Ų108.389%0.88755%0.547SS*.THydrogen-bonded Turntrans-133.1-15.6172.7-84.2-176.2166.4179.9-4.6114.8C120 G121 S125C120-R123 CarbonylContact O-C 3.6Å; C120-R123 WeakPolarHBondContact O-CA 3.3Å; C120-R123 PolarHBondContact O-N 3.32Å; G121-R123 PolarHBondContact O-N 2.8Å; R123-S125 PolarHBondContact O-N 2.91Å
124A49.5Very low64.4Low41 Ų41109.6 Ų109.634%0.33955%0.551SS.*SBendtrans-77.394.9-171.500000112.7C120C120-A124 WeakPolarHBondContact O-CB 3.45Å; C120-A124 PolarHBondContact O-N 2.84Å
125S53.8Low63.2Low72 Ų72112.6 Ų112.650%0.50356%0.555SS.*  trans55.2125.4158.6-163.20000118.5R123 A127 E128 L129R123-S125 PolarHBondContact O-N 2.91Å; S125-A127 PolarHBondContact O-N 3.42Å; S125-A127 VanDerWaalsContact O-N 3.11Å; S125-A127 WeakPolarHBondContact OG-CB 3.39Å; S125-A127 PolarHBondContact OG-N 2.87Å; S125-E128 WeakPolarHBondContact O-CB 3.5Å; S125-E128 PolarHBondContact O-N 2.97Å; S125-L129 PolarHBondContact O-N 2.89Å
126E57.5Low62Low167 Ų167108.4 Ų108.478%0.7855%0.547SS*.Hα-helixtrans-57.4-24.6167.6-63.5-175.311600112.4L129 Q130E126-L129 CarbonylContact O-C 3.57Å; E126-L129 PolarHBondContact O-N 3.03Å; E126-Q130 WeakPolarHBondContact O-CB 3.21Å; E126-Q130 PolarHBondContact O-N 3.22Å
127A56.4Low60.9Low63 Ų63106.9 Ų106.952%0.52154%0.542SS..Hα-helixtrans-64.1-39.217400000112.7S125 Q130 K131S125-A127 PolarHBondContact O-N 3.42Å; S125-A127 VanDerWaalsContact O-N 3.11Å; S125-A127 WeakPolarHBondContact OG-CB 3.39Å; S125-A127 PolarHBondContact OG-N 2.87Å; A127-Q130 PolarHBondContact O-N 3.46Å; A127-K131 WeakPolarHBondContact O-CB 3.24Å; A127-K131 PolarHBondContact O-N 3.41Å
128E59.3Low59.7Low89 Ų89106.5 Ų106.542%0.41654%0.54SS..Hα-helixtrans-68.1-41.6177.2-140.969.2-118.400110.2S125 Q130 K131 R132S125-E128 WeakPolarHBondContact O-CB 3.5Å; S125-E128 PolarHBondContact O-N 2.97Å; E128-Q130 VanDerWaalsContact C-N 3.34Å; E128-K131 PolarHBondContact O-N 3.39Å; E128-R132 WeakPolarHBondContact O-CB 3.46Å; E128-R132 VanDerWaalsContact O-CG 3.29Å; E128-R132 WeakPolarHBondContact O-CG 3.2Å; E128-R132 PolarHBondContact O-N 2.88Å
129L61.7Low58.7Low88 Ų88108.5 Ų108.546%0.46154%0.539SS..Hα-helixtrans-65.1-37.4173.8-167.672.6000111.7S125 E126 R133S125-L129 PolarHBondContact O-N 2.89Å; E126-L129 CarbonylContact O-C 3.57Å; E126-L129 PolarHBondContact O-N 3.03Å; L129-R133 VanDerWaalsContact O-CB 3.29Å; L129-R133 WeakPolarHBondContact O-CB 3.19Å; L129-R133 WeakPolarHBondContact O-CG 3.09Å; L129-R133 PolarHBondContact O-N 2.93Å
130Q59.4Low57.6Low118 Ų118108.7 Ų108.755%0.55154%0.54SS*.Hα-helixtrans-74.3-33.4179-176.1161.2-47.600112.4E126 A127 E128 H134E126-Q130 WeakPolarHBondContact O-CB 3.21Å; E126-Q130 PolarHBondContact O-N 3.22Å; A127-Q130 PolarHBondContact O-N 3.46Å; E128-Q130 VanDerWaalsContact C-N 3.34Å; Q130-H134 WeakPolarHBondContact O-CB 3.49Å; Q130-H134 PolarHBondContact O-N 2.89Å; Q130-H134 PolarHBondContact O-ND1 3.43Å; Q130-H134 VanDerWaalsContact O-ND1 3.12Å
131K65.1Low57.1Low121 Ų121108.6 Ų108.653%0.52653%0.534SS..Hα-helixtrans-69.1-46.5169.6-173.4170.8-177.8177.40111A127 E128 R133 H134 H135A127-K131 WeakPolarHBondContact O-CB 3.24Å; A127-K131 PolarHBondContact O-N 3.41Å; E128-K131 PolarHBondContact O-N 3.39Å; K131-R133 VanDerWaalsContact C-N 3.3Å; K131-R133 PolarHBondContact O-N 3.08Å; K131-H134 PolarHBondContact O-N 3.13Å; K131-H134 VanDerWaalsContact O-N 3.16Å; K131-H135 WeakPolarHBondContact CE-NE2 3.37Å; K131-H135 PolarHBondContact O-CD2 2.9Å; K131-H135 PolarHBondContact O-N 2.98Å
132R62.7Low57Low142 Ų142108.1 Ų108.154%0.53652%0.522SS..Hα-helixtrans-59.3-39.1171.7-72.7178.6-175.9-158.12.5111.9E128 A136E128-R132 WeakPolarHBondContact O-CB 3.46Å; E128-R132 VanDerWaalsContact O-CG 3.29Å; E128-R132 WeakPolarHBondContact O-CG 3.2Å; E128-R132 PolarHBondContact O-N 2.88Å; R132-A136 WeakPolarHBondContact O-CB 3.26Å; R132-A136 PolarHBondContact O-N 2.79Å
133R59.7Low56.9Low161 Ų161108.3 Ų108.361%0.60851%0.51SS*.Hα-helixtrans-65.6-43.4172.2-78.7172.4-178.4-179.82.5112L129 K131 A136 V137L129-R133 VanDerWaalsContact O-CB 3.29Å; L129-R133 WeakPolarHBondContact O-CB 3.19Å; L129-R133 WeakPolarHBondContact O-CG 3.09Å; L129-R133 PolarHBondContact O-N 2.93Å; K131-R133 VanDerWaalsContact C-N 3.3Å; K131-R133 PolarHBondContact O-N 3.08Å; R133-A136 CarbonylContact O-C 3.54Å; R133-A136 PolarHBondContact O-N 2.91Å; R133-V137 WeakPolarHBondContact O-CB 3.44Å; R133-V137 VanDerWaalsContact O-CG2 3.28Å; R133-V137 WeakPolarHBondContact O-CG2 3.3Å; R133-V137 PolarHBondContact O-N 2.82Å
134H58.7Low56.6Low128 Ų128101.5 Ų101.559%0.59350%0.495SS*.Hα-helixtrans-58.7-52.2174.8-94.880.2000111.7Q130 K131 A136 V137 H138Q130-H134 WeakPolarHBondContact O-CB 3.49Å; Q130-H134 PolarHBondContact O-N 2.89Å; Q130-H134 PolarHBondContact O-ND1 3.43Å; Q130-H134 VanDerWaalsContact O-ND1 3.12Å; K131-H134 PolarHBondContact O-N 3.13Å; K131-H134 VanDerWaalsContact O-N 3.16Å; H134-A136 VanDerWaalsContact C-N 3.27Å; H134-A136 PolarHBondContact O-N 2.82Å; H134-V137 PolarHBondContact O-N 3.07Å; H134-H138 VanDerWaalsContact O-CB 3.25Å; H134-H138 WeakPolarHBondContact O-CB 3.36Å; H134-H138 PolarHBondContact O-N 2.89Å
135H59.2Low56.7Low97 Ų97103.2 Ų103.245%0.44950%0.501SS..Hα-helixtrans-62.7-32.9176.8-64.6-67.8000112.3K131 R139K131-H135 WeakPolarHBondContact CE-NE2 3.37Å; K131-H135 PolarHBondContact O-CD2 2.9Å; K131-H135 PolarHBondContact O-N 2.98Å; H135-R139 WeakPolarHBondContact O-CB 3.42Å; H135-R139 PolarHBondContact O-N 3.21Å
136A59.2Low56.6Low42 Ų42107.1 Ų107.135%0.34752%0.516SS..Hα-helixtrans-76.2-30.5176.600000114.2R132 R133 H134 R140R132-A136 WeakPolarHBondContact O-CB 3.26Å; R132-A136 PolarHBondContact O-N 2.79Å; R133-A136 CarbonylContact O-C 3.54Å; R133-A136 PolarHBondContact O-N 2.91Å; H134-A136 VanDerWaalsContact C-N 3.27Å; H134-A136 PolarHBondContact O-N 2.82Å; A136-R140 WeakPolarHBondContact O-CG 3.18Å; A136-R140 PolarHBondContact O-N 3.15Å
137V56Low56.6Low72 Ų72100.8 Ų100.844%0.43649%0.488SS..Hα-helixtrans-73.2-52.5172.3167.10000109.1R133 H134 R139 R140 D141R133-V137 WeakPolarHBondContact O-CB 3.44Å; R133-V137 VanDerWaalsContact O-CG2 3.28Å; R133-V137 WeakPolarHBondContact O-CG2 3.3Å; R133-V137 PolarHBondContact O-N 2.82Å; H134-V137 PolarHBondContact O-N 3.07Å; V137-R139 PolarHBondContact O-N 2.95Å; V137-R140 CarbonylContact O-C 3.5Å; V137-R140 WeakPolarHBondContact O-CA 3.49Å; V137-R140 WeakPolarHBondContact O-CB 3.4Å; V137-R140 PolarHBondContact O-N 3.05Å; V137-D141 WeakPolarHBondContact CG1-OD2 3.45Å; V137-D141 VanDerWaalsContact O-CG 3.3Å; V137-D141 PolarHBondContact O-N 3.2Å
138H54.8Low56.9Low95 Ų95101.6 Ų101.644%0.4449%0.486SS..Hα-helixtrans-53.6-40.9174.4-171.877.9000112H134 R140 D141 L142H134-H138 VanDerWaalsContact O-CB 3.25Å; H134-H138 WeakPolarHBondContact O-CB 3.36Å; H134-H138 PolarHBondContact O-N 2.89Å; H138-R140 VanDerWaalsContact C-N 3.34Å; H138-R140 PolarHBondContact O-N 3.34Å; H138-D141 PolarHBondContact O-N 3.48Å; H138-L142 WeakPolarHBondContact O-CB 3.18Å; H138-L142 PolarHBondContact O-N 2.89Å
139R56.2Low57.1Low152 Ų152105.6 Ų105.657%0.57450%0.502SS*.Hα-helixtrans-67.9-25.7173.7-178.7175.6176.8-178.20.3114.3H135 V137 Q143H135-R139 WeakPolarHBondContact O-CB 3.42Å; H135-R139 PolarHBondContact O-N 3.21Å; V137-R139 PolarHBondContact O-N 2.95Å; R139-Q143 WeakPolarHBondContact O-CG 3.09Å
140R51.8Low57.1Low166 Ų166108.9 Ų108.963%0.62652%0.515SS*.Hα-helixtrans-82.1-39.7173-80.9173.1175.7156.5-1.2111.9A136 V137 H138 L142 Q143 T144A136-R140 WeakPolarHBondContact O-CG 3.18Å; A136-R140 PolarHBondContact O-N 3.15Å; V137-R140 CarbonylContact O-C 3.5Å; V137-R140 WeakPolarHBondContact O-CA 3.49Å; V137-R140 WeakPolarHBondContact O-CB 3.4Å; V137-R140 PolarHBondContact O-N 3.05Å; H138-R140 VanDerWaalsContact C-N 3.34Å; H138-R140 PolarHBondContact O-N 3.34Å; R140-L142 PolarHBondContact O-N 3.4Å; R140-Q143 CarbonylContact O-C 3.59Å; R140-Q143 WeakPolarHBondContact O-CA 3.3Å; R140-Q143 WeakPolarHBondContact O-CB 3.32Å; R140-Q143 PolarHBondContact O-N 2.86Å; R140-T144 PolarHBondContact O-N 3.33Å; R140-T144 PolarHBondContact O-OG1 3.47Å; R140-T144 VanDerWaalsContact O-OG1 3.13Å
141D52.7Low57.5Low75 Ų75107.3 Ų107.340%0.40151%0.508SS..Hα-helixtrans-59.7-38.8173.9-58.4-33.6000110V137 H138 Q143 T144 V145V137-D141 WeakPolarHBondContact CG1-OD2 3.45Å; V137-D141 VanDerWaalsContact O-CG 3.3Å; V137-D141 PolarHBondContact O-N 3.2Å; H138-D141 PolarHBondContact O-N 3.48Å; D141-Q143 PolarHBondContact O-N 3.38Å; D141-T144 WeakPolarHBondContact CA-OG1 3.34Å; D141-T144 PolarHBondContact O-N 2.82Å; D141-T144 VanDerWaalsContact O-N 3.17Å; D141-V145 WeakPolarHBondContact O-CB 3.3Å; D141-V145 VanDerWaalsContact O-CG2 3.24Å; D141-V145 WeakPolarHBondContact O-CG2 3.47Å; D141-V145 PolarHBondContact O-N 3.24Å
142L54.3Low57.6Low31 Ų31102.3 Ų102.316%0.16249%0.489CS..Hα-helixtrans-61.8-8.7169.6-126.3143.3000115.2M49 K52 L56 H138 R140M49-L142 HydrophobicContact CB-CD2 4.39Å; M49-L142 HydrophobicContact CG-CD2 3.95Å; K52-L142 HydrophobicContact CB-CD1 3.97Å; K52-L142 HydrophobicContact CB-CD2 3.81Å; K52-L142 HydrophobicContact CB-CG 4.46Å; K52-L142 HydrophobicContact CD-CD1 4.18Å; K52-L142 HydrophobicContact CD-CD2 3.86Å; K52-L142 HydrophobicContact CD-CG 4.17Å; K52-L142 HydrophobicContact CG-CD2 4.45Å; L56-L142 HydrophobicContact CD1-CD1 4.32Å; H138-L142 WeakPolarHBondContact O-CB 3.18Å; H138-L142 PolarHBondContact O-N 2.89Å; R140-L142 PolarHBondContact O-N 3.4Å
143Q53.1Low57.9Low120 Ų120101 Ų10156%0.56149%0.49SS*.Hα-helixtrans-113.7-19.7174.5-62.9-172.6-60.600113.3M49 R139 R140 D141M49-Q143 HydrophobicContact CE-CG 3.91Å; M49-Q143 HydrophobicContact SD-CG 4.04Å; R139-Q143 WeakPolarHBondContact O-CG 3.09Å; R140-Q143 CarbonylContact O-C 3.59Å; R140-Q143 WeakPolarHBondContact O-CA 3.3Å; R140-Q143 WeakPolarHBondContact O-CB 3.32Å; R140-Q143 PolarHBondContact O-N 2.86Å; D141-Q143 PolarHBondContact O-N 3.38Å
144T47.4Very low58.7Low91 Ų9198.9 Ų98.956%0.55849%0.49SS*.Hα-helixtrans-106.4-23.1-177.356.10000113.6R140 D141 N146R140-T144 PolarHBondContact O-N 3.33Å; R140-T144 PolarHBondContact O-OG1 3.47Å; R140-T144 VanDerWaalsContact O-OG1 3.13Å; D141-T144 WeakPolarHBondContact CA-OG1 3.34Å; D141-T144 PolarHBondContact O-N 2.82Å; D141-T144 VanDerWaalsContact O-N 3.17Å; T144-N146 PolarHBondContact O-N 2.96Å; T144-N146 PolarHBondContact O-ND2 3.46Å; T144-N146 VanDerWaalsContact O-ND2 3.1Å
145V52.8Low59.5Low78 Ų7895.3 Ų95.347%0.47347%0.474SS..  trans-63.6107.1167.3175.60000107.8D141 L147D141-V145 WeakPolarHBondContact O-CB 3.3Å; D141-V145 VanDerWaalsContact O-CG2 3.24Å; D141-V145 WeakPolarHBondContact O-CG2 3.47Å; D141-V145 PolarHBondContact O-N 3.24Å; V145-L147 HydrophobicContact CB-CD1 4.4Å; V145-L147 HydrophobicContact CG1-CD1 3.88Å; V145-L147 HydrophobicContact CG1-CG 4.36Å; V145-L147 PolarHBondContact O-N 3.37Å
146N51.3Low60.3Low153 Ų15392.1 Ų92.182%0.81846%0.46SS*.  trans-72.678.8168.6-78.7-107.7000107.6T144 T148T144-N146 PolarHBondContact O-N 2.96Å; T144-N146 PolarHBondContact O-ND2 3.46Å; T144-N146 VanDerWaalsContact O-ND2 3.1Å; N146-T148 PolarHBondContact O-N 2.91Å
147L57.8Low61.3Low35 Ų3597.5 Ų97.518%0.18348%0.476CS..  trans-48.8127.7176.2-94.891.5000108.7V145 E151 A152 E155V145-L147 HydrophobicContact CB-CD1 4.4Å; V145-L147 HydrophobicContact CG1-CD1 3.88Å; V145-L147 HydrophobicContact CG1-CG 4.36Å; V145-L147 PolarHBondContact O-N 3.37Å; L147-E151 HydrophobicContact CD2-CG 4.17Å; L147-E151 HydrophobicContact CG-CG 4.4Å; L147-A152 HydrophobicContact CB-CB 4.22Å; L147-A152 HydrophobicContact CD2-CB 4.19Å; L147-E155 WeakPolarHBondContact CD2-OE2 3.44Å
148T62.6Low62.6Low79 Ų7997.7 Ų97.749%0.48547%0.474SS..  trans-64148.7179.667.30000109.2N146 Q150 E151 A152N146-T148 PolarHBondContact O-N 2.91Å; T148-Q150 PolarHBondContact O-N 2.91Å; T148-E151 PolarHBondContact N-OE2 2.78Å; T148-E151 WeakPolarHBondContact O-CB 3.28Å; T148-E151 PolarHBondContact O-N 3.09Å; T148-E151 WeakPolarHBondContact OG1-CB 3.42Å; T148-E151 PolarHBondContact OG1-N 2.88Å; T148-E151 PolarHBondContact OG1-OE2 3.22Å; T148-A152 PolarHBondContact O-N 2.96Å
149K61.8Low63.8Low174 Ų17493.9 Ų93.976%0.75746%0.457SS*.THydrogen-bonded Turntrans-58.7-20.7-176.5-173.6174.3178.1179.70113.4M153K149-M153 WeakPolarHBondContact O-CB 3.45Å
150Q62.8Low65Low156 Ų15692.3 Ų92.373%0.72946%0.459SS*.THydrogen-bonded Turntrans-83.3-42.6174.3-67.8172.8-9500111.9T148 M153 L154T148-Q150 PolarHBondContact O-N 2.91Å; Q150-M153 CarbonylContact O-C 3.52Å; Q150-M153 WeakPolarHBondContact O-CA 3.45Å; Q150-M153 WeakPolarHBondContact O-CB 3.43Å; Q150-M153 PolarHBondContact O-N 2.71Å; Q150-M153 VanDerWaalsContact O-N 3.12Å; Q150-L154 WeakPolarHBondContact O-CG 3.36Å; Q150-L154 PolarHBondContact O-N 2.87Å
151E68.2Low66.8Low85 Ų8589.4 Ų89.440%0.39745%0.451SS..Hα-helixtrans-64.5-46.8178.1-176.4175.7-14900112.2L147 T148 M153 L154 E155L147-E151 HydrophobicContact CD2-CG 4.17Å; L147-E151 HydrophobicContact CG-CG 4.4Å; T148-E151 PolarHBondContact N-OE2 2.78Å; T148-E151 WeakPolarHBondContact O-CB 3.28Å; T148-E151 PolarHBondContact O-N 3.09Å; T148-E151 WeakPolarHBondContact OG1-CB 3.42Å; T148-E151 PolarHBondContact OG1-N 2.88Å; T148-E151 PolarHBondContact OG1-OE2 3.22Å; E151-M153 PolarHBondContact O-N 3.19Å; E151-L154 WeakPolarHBondContact O-CB 3.22Å; E151-L154 PolarHBondContact O-N 2.94Å; E151-E155 PolarHBondContact O-N 3.17Å
152A67Low68.4Low16 Ų1689.9 Ų89.913%0.13245%0.451CS..Hα-helixtrans-59.4-30.6171.100000112.4L147 T148 I156L147-A152 HydrophobicContact CB-CB 4.22Å; L147-A152 HydrophobicContact CD2-CB 4.19Å; T148-A152 PolarHBondContact O-N 2.96Å; A152-I156 WeakPolarHBondContact O-CB 2.91Å; A152-I156 VanDerWaalsContact O-CD1 3.31Å; A152-I156 WeakPolarHBondContact O-CD1 3.47Å; A152-I156 WeakPolarHBondContact O-CG1 3.32Å; A152-I156 PolarHBondContact O-N 2.85Å
153M68.2Low69.8Low114 Ų11493 Ų9356%0.56247%0.467SS*.Hα-helixtrans-76.6-28.4176.5-166.5-177.8-55.300112.5K149 Q150 E151 K157K149-M153 WeakPolarHBondContact O-CB 3.45Å; Q150-M153 CarbonylContact O-C 3.52Å; Q150-M153 WeakPolarHBondContact O-CA 3.45Å; Q150-M153 WeakPolarHBondContact O-CB 3.43Å; Q150-M153 PolarHBondContact O-N 2.71Å; Q150-M153 VanDerWaalsContact O-N 3.12Å; E151-M153 PolarHBondContact O-N 3.19Å; M153-K157 WeakPolarHBondContact O-CB 3.45Å; M153-K157 PolarHBondContact O-N 3.27Å
154L77.2Confident71.5Confident117 Ų11792.5 Ų92.561%0.61347%0.468SS*.Hα-helixtrans-72.1-47.3172.2-70.6172.5000111.2Q150 E151 I156 K157 D158Q150-L154 WeakPolarHBondContact O-CG 3.36Å; Q150-L154 PolarHBondContact O-N 2.87Å; E151-L154 WeakPolarHBondContact O-CB 3.22Å; E151-L154 PolarHBondContact O-N 2.94Å; L154-I156 PolarHBondContact O-N 3.3Å; L154-K157 WeakPolarHBondContact O-CB 3.47Å; L154-K157 PolarHBondContact O-N 3.31Å; L154-K157 VanDerWaalsContact O-N 3.11Å; L154-D158 PolarHBondContact O-N 3.08Å
155E75.8Confident73.7Confident53 Ų5392.7 Ų92.725%0.24846%0.463CS..Hα-helixtrans-59.4-34.4175.7-66.8-169.717200112.1V48 K52 L147 E151 L159V48-E155 VanDerWaalsContact CG1-OE2 3.25Å; V48-E155 WeakPolarHBondContact CG1-OE2 3.33Å; K52-E155 WeakPolarHBondContact CE-OE1 3.36Å; K52-E155 WeakPolarHBondContact CE-OE2 3.06Å; K52-E155 IonicContact NZ-OE1 3.63Å; K52-E155 PolarHBondContact NZ-OE1 2.92Å; K52-E155 IonicContact NZ-OE2 3.44Å; K52-E155 PolarHBondContact NZ-OE2 2.83Å; L147-E155 WeakPolarHBondContact CD2-OE2 3.44Å; E151-E155 PolarHBondContact O-N 3.17Å; E155-L159 VanDerWaalsContact O-CB 3.26Å; E155-L159 WeakPolarHBondContact O-CB 3.42Å; E155-L159 PolarHBondContact O-N 2.84Å
156I75.4Confident75.1Confident30 Ų3095.5 Ų95.515%0.15447%0.472CS..Hα-helixtrans-77.2-32.8177-69.4170.9000112.3L44 M47 V48 A152 L154 D158 L160L44-I156 HydrophobicContact CD1-CD1 3.38Å; L44-I156 HydrophobicContact CD2-CD1 4.06Å; L44-I156 HydrophobicContact CG-CD1 3.34Å; M47-I156 HydrophobicContact CE-CB 4.43Å; M47-I156 HydrophobicContact CE-CD1 3.68Å; M47-I156 HydrophobicContact CE-CG1 3.71Å; M47-I156 HydrophobicContact CE-CG2 3.9Å; V48-I156 HydrophobicContact CG2-CD1 3.66Å; V48-I156 HydrophobicContact CG2-CG1 3.53Å; A152-I156 WeakPolarHBondContact O-CB 2.91Å; A152-I156 VanDerWaalsContact O-CD1 3.31Å; A152-I156 WeakPolarHBondContact O-CD1 3.47Å; A152-I156 WeakPolarHBondContact O-CG1 3.32Å; A152-I156 PolarHBondContact O-N 2.85Å; L154-I156 PolarHBondContact O-N 3.3Å; I156-D158 VanDerWaalsContact C-N 3.31Å; I156-L160 WeakPolarHBondContact O-CB 3.48Å; I156-L160 PolarHBondContact O-N 3.38Å
157K80.5Confident76.9Confident156 Ų15693.4 Ų93.468%0.67846%0.461SS*.Hα-helixtrans-63.2-41.8170.6-176.3-171.6173.5-167.70110.5M153 L154 K161M153-K157 WeakPolarHBondContact O-CB 3.45Å; M153-K157 PolarHBondContact O-N 3.27Å; L154-K157 WeakPolarHBondContact O-CB 3.47Å; L154-K157 PolarHBondContact O-N 3.31Å; L154-K157 VanDerWaalsContact O-N 3.11Å; K157-K161 WeakPolarHBondContact O-CB 3.45Å; K157-K161 PolarHBondContact O-N 2.93Å
158D82.7Confident78.5Confident75 Ų7594.3 Ų94.340%0.40147%0.47SS..Hα-helixtrans-71.1-42.6179-170.172.6000112.6L154 I156 L160 K161 H162L154-D158 PolarHBondContact O-N 3.08Å; I156-D158 VanDerWaalsContact C-N 3.31Å; D158-L160 PolarHBondContact O-N 2.78Å; D158-K161 WeakPolarHBondContact O-CB 3.49Å; D158-K161 PolarHBondContact O-N 3.39Å; D158-H162 PolarHBondContact O-N 3.44Å; D158-H162 PolarHBondContact O-ND1 2.79Å; D158-H162 IonicContact OD1-CE1 3.84Å; D158-H162 IonicContact OD1-ND1 3.44Å; D158-H162 IonicContact OD2-CE1 2.68Å; D158-H162 PolarHBondContact OD2-CE1 3.48Å; D158-H162 IonicContact OD2-ND1 3.18Å; D158-H162 PolarHBondContact OD2-ND1 2.84Å
159L80.3Confident79.9Confident16 Ų1693.9 Ų93.98%0.08447%0.47CS..Hα-helixtrans-57.4-46.4170172.758.4000111.8M47 Y51 E155 K161 H162 L163M47-L159 HydrophobicContact CE-CD2 4.32Å; Y51-L159 HydrophobicContact CD1-CD1 4.17Å; Y51-L159 HydrophobicContact CD1-CD2 4.23Å; Y51-L159 HydrophobicContact CD2-CD1 3.48Å; Y51-L159 VanDerWaalsContact CD2-CD1 3.48Å; Y51-L159 HydrophobicContact CD2-CD2 4.48Å; Y51-L159 HydrophobicContact CE1-CD1 4.27Å; Y51-L159 HydrophobicContact CE2-CD1 3.61Å; Y51-L159 HydrophobicContact CG-CD1 3.78Å; Y51-L159 HydrophobicContact CG-CD2 3.97Å; Y51-L159 HydrophobicContact CG-CG 4.41Å; E155-L159 VanDerWaalsContact O-CB 3.26Å; E155-L159 WeakPolarHBondContact O-CB 3.42Å; E155-L159 PolarHBondContact O-N 2.84Å; L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 3.17Å; L159-H162 PolarHBondContact O-N 2.83Å; L159-L163 HydrophobicContact CD1-CD1 3.84Å; L159-L163 HydrophobicContact CD1-CG 4.06Å; L159-L163 HydrophobicContact CG-CD1 3.97Å; L159-L163 WeakPolarHBondContact O-CB 3.26Å; L159-L163 VanDerWaalsContact O-CG 3.28Å; L159-L163 WeakPolarHBondContact O-CG 3.32Å; L159-L163 PolarHBondContact O-N 3.41Å
160L82Confident81.3Confident119 Ų11988 Ų8862%0.62345%0.454SS*.Hα-helixtrans-65.1-36.7178.9-175.363.2000111.5I156 D158 L163 D164I156-L160 WeakPolarHBondContact O-CB 3.48Å; I156-L160 PolarHBondContact O-N 3.38Å; D158-L160 PolarHBondContact O-N 2.78Å; L160-L163 PolarHBondContact O-N 3.36Å; L160-D164 WeakPolarHBondContact O-CB 3.28Å; L160-D164 PolarHBondContact O-N 2.96Å
161K89.3Confident82.7Confident104 Ų10484 Ų8445%0.45244%0.443SS..Hα-helixtrans-62.7-50.8173.1-175-169.4173.1-83.90111.4K157 D158 L159 L163 D164 E165K157-K161 WeakPolarHBondContact O-CB 3.45Å; K157-K161 PolarHBondContact O-N 2.93Å; D158-K161 WeakPolarHBondContact O-CB 3.49Å; D158-K161 PolarHBondContact O-N 3.39Å; L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 3.17Å; K161-L163 VanDerWaalsContact C-N 3.28Å; K161-L163 PolarHBondContact O-N 3.39Å; K161-D164 PolarHBondContact O-N 2.68Å; K161-D164 VanDerWaalsContact O-N 3.17Å; K161-E165 VanDerWaalsContact CE-OE1 3.27Å; K161-E165 WeakPolarHBondContact CE-OE1 3.42Å; K161-E165 IonicContact NZ-OE1 3.04Å; K161-E165 PolarHBondContact NZ-OE1 3.22Å; K161-E165 IonicContact NZ-OE2 2.77Å; K161-E165 PolarHBondContact NZ-OE2 2.91Å; K161-E165 WeakPolarHBondContact O-CG 3.44Å; K161-E165 PolarHBondContact O-N 2.8Å
162H85.2Confident83.8Confident85 Ų8585.7 Ų85.739%0.39445%0.45SS..Hα-helixtrans-60.1-38177.1-77.997.3000112.2D158 L159 M166D158-H162 PolarHBondContact O-N 3.44Å; D158-H162 PolarHBondContact O-ND1 2.79Å; D158-H162 IonicContact OD1-CE1 3.84Å; D158-H162 IonicContact OD1-ND1 3.44Å; D158-H162 IonicContact OD2-CE1 2.68Å; D158-H162 PolarHBondContact OD2-CE1 3.48Å; D158-H162 IonicContact OD2-ND1 3.18Å; D158-H162 PolarHBondContact OD2-ND1 2.84Å; L159-H162 PolarHBondContact O-N 2.83Å; H162-M166 VanDerWaalsContact O-CB 3.28Å; H162-M166 WeakPolarHBondContact O-CB 3.21Å; H162-M166 WeakPolarHBondContact O-CG 3.27Å; H162-M166 PolarHBondContact O-N 2.65Å
163L84.8Confident84.8Confident98 Ų9887.9 Ų87.951%0.51346%0.464SS..Hα-helixtrans-68.7-37.4175.2-72.7170.7000112.7L159 L160 K161 L167L159-L163 HydrophobicContact CD1-CD1 3.84Å; L159-L163 HydrophobicContact CD1-CG 4.06Å; L159-L163 HydrophobicContact CG-CD1 3.97Å; L159-L163 WeakPolarHBondContact O-CB 3.26Å; L159-L163 VanDerWaalsContact O-CG 3.28Å; L159-L163 WeakPolarHBondContact O-CG 3.32Å; L159-L163 PolarHBondContact O-N 3.41Å; L160-L163 PolarHBondContact O-N 3.36Å; K161-L163 VanDerWaalsContact C-N 3.28Å; K161-L163 PolarHBondContact O-N 3.39Å; L163-L167 WeakPolarHBondContact O-CB 3.3Å; L163-L167 PolarHBondContact O-N 3.48Å
164D88.9Confident85.8Confident109 Ų10985.1 Ų85.158%0.58346%0.46SS*.Hα-helixtrans-68.4-43.1175.9-168.764.9000111.6L160 K161 L167 S168L160-D164 WeakPolarHBondContact O-CB 3.28Å; L160-D164 PolarHBondContact O-N 2.96Å; K161-D164 PolarHBondContact O-N 2.68Å; K161-D164 VanDerWaalsContact O-N 3.17Å; D164-L167 PolarHBondContact O-N 2.89Å; D164-S168 WeakPolarHBondContact O-CB 3.18Å; D164-S168 PolarHBondContact O-N 3.36Å
165E92.8Very high86.4Confident94 Ų9484.5 Ų84.544%0.43945%0.454SS..Hα-helixtrans-63.7-44.1174.8-72.1175.6153.400111.5K161 S169K161-E165 VanDerWaalsContact CE-OE1 3.27Å; K161-E165 WeakPolarHBondContact CE-OE1 3.42Å; K161-E165 IonicContact NZ-OE1 3.04Å; K161-E165 PolarHBondContact NZ-OE1 3.22Å; K161-E165 IonicContact NZ-OE2 2.77Å; K161-E165 PolarHBondContact NZ-OE2 2.91Å; K161-E165 WeakPolarHBondContact O-CG 3.44Å; K161-E165 PolarHBondContact O-N 2.8Å; E165-S169 WeakPolarHBondContact O-CB 3.28Å; E165-S169 PolarHBondContact O-N 3.25Å
166M83.4Confident87Confident137 Ų13784.6 Ų84.668%0.67546%0.464SS*.Hα-helixtrans-64.4-41.4174.2-75.8-67-62.300112.6H162 A170H162-M166 VanDerWaalsContact O-CB 3.28Å; H162-M166 WeakPolarHBondContact O-CB 3.21Å; H162-M166 WeakPolarHBondContact O-CG 3.27Å; H162-M166 PolarHBondContact O-N 2.65Å; M166-A170 VanDerWaalsContact O-CB 3.29Å; M166-A170 WeakPolarHBondContact O-CB 3.4Å; M166-A170 PolarHBondContact O-N 2.74Å
167L87.5Confident87.5Confident110 Ų11088 Ų8858%0.57648%0.481SS*.Hα-helixtrans-69.4-40.7178.5-176.663.5000111.4L163 D164 A170 C171L163-L167 WeakPolarHBondContact O-CB 3.3Å; L163-L167 PolarHBondContact O-N 3.48Å; D164-L167 PolarHBondContact O-N 2.89Å; L167-A170 PolarHBondContact O-N 2.87Å; L167-C171 WeakPolarHBondContact O-CB 3.33Å; L167-C171 PolarHBondContact O-N 3.17Å; L167-C171 PolarHBondContact O-SG 2.91Å; L167-C171 VanDerWaalsContact O-SG 3.36Å
168S92.6Very high87.9Confident53 Ų5387.2 Ų87.237%0.37148%0.475SS..Hα-helixtrans-62.5-45.3175-175.30000111.3D164 C171 Q172D164-S168 WeakPolarHBondContact O-CB 3.18Å; D164-S168 PolarHBondContact O-N 3.36Å; S168-C171 PolarHBondContact O-N 3.27Å; S168-Q172 WeakPolarHBondContact O-CB 3.36Å; S168-Q172 VanDerWaalsContact O-CG 3.26Å; S168-Q172 WeakPolarHBondContact O-CG 3.17Å; S168-Q172 PolarHBondContact O-N 2.88Å; S168-Q172 PolarHBondContact O-NE2 3.03Å; S168-Q172 PolarHBondContact OG-NE2 2.81Å
169S91.9Very high88.2Confident70 Ų7087.4 Ų87.449%0.4947%0.472SS..Hα-helixtrans-62.2-42.5173.7-174.50000112.2E165 Q172 S173E165-S169 WeakPolarHBondContact O-CB 3.28Å; E165-S169 PolarHBondContact O-N 3.25Å; S169-Q172 PolarHBondContact O-N 2.99Å; S169-S173 WeakPolarHBondContact O-CB 3.34Å; S169-S173 PolarHBondContact O-N 3.22Å; S169-S173 PolarHBondContact O-OG 2.77Å; S169-S173 VanDerWaalsContact O-OG 3.1Å
170A90.6Very high88.6Confident50 Ų5088 Ų8841%0.41348%0.476SS..Hα-helixtrans-61.8-43.6174.300000111.9M166 L167 S173 A174M166-A170 VanDerWaalsContact O-CB 3.29Å; M166-A170 WeakPolarHBondContact O-CB 3.4Å; M166-A170 PolarHBondContact O-N 2.74Å; L167-A170 PolarHBondContact O-N 2.87Å; A170-S173 WeakPolarHBondContact CA-OG 3.23Å; A170-S173 PolarHBondContact O-N 3.4Å; A170-S173 PolarHBondContact O-OG 3.21Å; A170-A174 VanDerWaalsContact O-CB 3.3Å; A170-A174 WeakPolarHBondContact O-CB 3.46Å; A170-A174 PolarHBondContact O-N 3.22Å
171C91.5Very high88.8Confident74 Ų7487.6 Ų87.650%0.547%0.474SS..Hα-helixtrans-64-44175.6-74.70000112.5L167 S168 A174 E175L167-C171 WeakPolarHBondContact O-CB 3.33Å; L167-C171 PolarHBondContact O-N 3.17Å; L167-C171 PolarHBondContact O-SG 2.91Å; L167-C171 VanDerWaalsContact O-SG 3.36Å; S168-C171 PolarHBondContact O-N 3.27Å; C171-A174 PolarHBondContact O-N 2.92Å; C171-E175 WeakPolarHBondContact O-CB 3.45Å; C171-E175 PolarHBondContact O-N 3.45Å
172Q92Very high88.7Confident120 Ų12090.5 Ų90.556%0.56148%0.484SS*.Hα-helixtrans-62.9-42.5176.8-70.9168.843.700112S168 S169 E175 A176S168-Q172 WeakPolarHBondContact O-CB 3.36Å; S168-Q172 VanDerWaalsContact O-CG 3.26Å; S168-Q172 WeakPolarHBondContact O-CG 3.17Å; S168-Q172 PolarHBondContact O-N 2.88Å; S168-Q172 PolarHBondContact O-NE2 3.03Å; S168-Q172 PolarHBondContact OG-NE2 2.81Å; S169-Q172 PolarHBondContact O-N 2.99Å; Q172-E175 PolarHBondContact O-N 2.81Å; Q172-A176 PolarHBondContact O-N 3.07Å
173S88.4Confident88.8Confident61 Ų6192.1 Ų92.143%0.42749%0.486SS..Hα-helixtrans-67.1-38.1175.261.80000112.4S169 A170 A176 I177S169-S173 WeakPolarHBondContact O-CB 3.34Å; S169-S173 PolarHBondContact O-N 3.22Å; S169-S173 PolarHBondContact O-OG 2.77Å; S169-S173 VanDerWaalsContact O-OG 3.1Å; A170-S173 WeakPolarHBondContact CA-OG 3.23Å; A170-S173 PolarHBondContact O-N 3.4Å; A170-S173 PolarHBondContact O-OG 3.21Å; S173-A176 PolarHBondContact O-N 3.31Å; S173-I177 WeakPolarHBondContact O-CB 3.34Å; S173-I177 WeakPolarHBondContact O-CD1 3.3Å; S173-I177 VanDerWaalsContact O-CG1 3.23Å; S173-I177 WeakPolarHBondContact O-CG1 3.35Å; S173-I177 PolarHBondContact O-N 3.05Å
174A89.4Confident88.8Confident57 Ų5792.7 Ų92.747%0.47149%0.49SS..Hα-helixtrans-65.6-37.1173.400000112.4A170 C171 I177 Y178A170-A174 VanDerWaalsContact O-CB 3.3Å; A170-A174 WeakPolarHBondContact O-CB 3.46Å; A170-A174 PolarHBondContact O-N 3.22Å; C171-A174 PolarHBondContact O-N 2.92Å; A174-I177 PolarHBondContact O-N 3.27Å; A174-Y178 VanDerWaalsContact O-CB 3.3Å; A174-Y178 WeakPolarHBondContact O-CB 3.46Å; A174-Y178 PolarHBondContact O-N 3.37Å
175E90.4Very high88.4Confident103 Ų10390.7 Ų90.748%0.48148%0.479SS..Hα-helixtrans-65.7-44.3173.6-170.5-172.114700111.4C171 Q172 I177 Y178 K179C171-E175 WeakPolarHBondContact O-CB 3.45Å; C171-E175 PolarHBondContact O-N 3.45Å; Q172-E175 PolarHBondContact O-N 2.81Å; E175-I177 PolarHBondContact O-N 2.99Å; E175-Y178 WeakPolarHBondContact O-CB 3.47Å; E175-Y178 PolarHBondContact O-N 2.77Å; E175-K179 WeakPolarHBondContact O-CG 3.43Å; E175-K179 PolarHBondContact O-N 3.37Å; E175-K179 VanDerWaalsContact OE1-CE 3.25Å; E175-K179 WeakPolarHBondContact OE1-CE 3.43Å; E175-K179 IonicContact OE1-NZ 2.63Å; E175-K179 PolarHBondContact OE1-NZ 3.03Å
176A87Confident88.2Confident55 Ų5592.4 Ų92.446%0.45549%0.487SS..Hα-helixtrans-61.7-43.617500000112Q172 S173 Y178 K179 V180Q172-A176 PolarHBondContact O-N 3.07Å; S173-A176 PolarHBondContact O-N 3.31Å; A176-Y178 VanDerWaalsContact C-N 3.35Å; A176-K179 PolarHBondContact O-N 3.09Å; A176-V180 WeakPolarHBondContact O-CG2 3.44Å; A176-V180 PolarHBondContact O-N 2.9Å; A176-V180 VanDerWaalsContact O-N 3.14Å
177I86.9Confident88.4Confident101 Ų10188.1 Ų88.152%0.51847%0.473SS..Hα-helixtrans-62-42.3173.7-70.8163.8000110.7S173 A174 E175 V180 L181S173-I177 WeakPolarHBondContact O-CB 3.34Å; S173-I177 WeakPolarHBondContact O-CD1 3.3Å; S173-I177 VanDerWaalsContact O-CG1 3.23Å; S173-I177 WeakPolarHBondContact O-CG1 3.35Å; S173-I177 PolarHBondContact O-N 3.05Å; A174-I177 PolarHBondContact O-N 3.27Å; E175-I177 PolarHBondContact O-N 2.99Å; I177-V180 PolarHBondContact O-N 3.2Å; I177-L181 HydrophobicContact CG2-CD1 3.67Å; I177-L181 HydrophobicContact CG2-CG 4.16Å; I177-L181 WeakPolarHBondContact O-CB 3.48Å; I177-L181 VanDerWaalsContact O-CG 3.27Å; I177-L181 WeakPolarHBondContact O-CG 3.47Å; I177-L181 PolarHBondContact O-N 3.01Å
178Y88.6Confident88.3Confident141 Ų14185.9 Ų85.955%0.55346%0.464SS*.Hα-helixtrans-62.1-44.6177.7-176.6-89.6000112.1A174 E175 A176 V180 L181 Y182A174-Y178 VanDerWaalsContact O-CB 3.3Å; A174-Y178 WeakPolarHBondContact O-CB 3.46Å; A174-Y178 PolarHBondContact O-N 3.37Å; E175-Y178 WeakPolarHBondContact O-CB 3.47Å; E175-Y178 PolarHBondContact O-N 2.77Å; A176-Y178 VanDerWaalsContact C-N 3.35Å; Y178-V180 VanDerWaalsContact C-N 3.32Å; Y178-V180 PolarHBondContact O-N 3.07Å; Y178-L181 PolarHBondContact O-N 3.41Å; Y178-Y182 HydrophobicContact CE1-CG 4.4Å; Y178-Y182 WeakPolarHBondContact O-CB 3.38Å; Y178-Y182 PolarHBondContact O-N 3.27Å
179K88.6Confident88.2Confident78 Ų7883.4 Ų83.434%0.33945%0.447SS..Hα-helixtrans-61.1-39.9177.2-71.6179.2-178.5168.10112.5E175 A176 W183 D184E175-K179 WeakPolarHBondContact O-CG 3.43Å; E175-K179 PolarHBondContact O-N 3.37Å; E175-K179 VanDerWaalsContact OE1-CE 3.25Å; E175-K179 WeakPolarHBondContact OE1-CE 3.43Å; E175-K179 IonicContact OE1-NZ 2.63Å; E175-K179 PolarHBondContact OE1-NZ 3.03Å; A176-K179 PolarHBondContact O-N 3.09Å; K179-W183 PolarHBondContact O-N 3.42Å; K179-W183 VanDerWaalsContact O-N 3.09Å; K179-D184 HydrophobicContact CB-CB 4.04Å; K179-D184 HydrophobicContact CG-CB 4.08Å; K179-D184 WeakPolarHBondContact CG-OD2 3.28Å; K179-D184 PolarHBondContact O-N 2.77Å
180V89.3Confident88.1Confident28 Ų2882.9 Ų82.917%0.1744%0.444CS..Hα-helixtrans-68.2-44.4174.3171.40000111.8A176 I177 Y178 Y182 W183 S189 F192 Y193A176-V180 WeakPolarHBondContact O-CG2 3.44Å; A176-V180 PolarHBondContact O-N 2.9Å; A176-V180 VanDerWaalsContact O-N 3.14Å; I177-V180 PolarHBondContact O-N 3.2Å; Y178-V180 VanDerWaalsContact C-N 3.32Å; Y178-V180 PolarHBondContact O-N 3.07Å; V180-Y182 PolarHBondContact O-N 2.99Å; V180-W183 PolarHBondContact O-N 2.77Å; V180-S189 WeakPolarHBondContact CA-OG 3.41Å; V180-S189 PolarHBondContact O-OG 2.93Å; V180-F192 HydrophobicContact CG1-CB 4.07Å; V180-F192 HydrophobicContact CG1-CD1 3.5Å; V180-F192 VanDerWaalsContact CG1-CD1 3.5Å; V180-F192 HydrophobicContact CG1-CE1 4.1Å; V180-F192 HydrophobicContact CG1-CG 3.84Å; V180-Y193 HydrophobicContact CG1-CE2 4.27Å
181L86.2Confident88.1Confident111 Ų11189.3 Ų89.358%0.58146%0.457SS*.Hα-helixtrans-66-36179.3-74.7173.5000113I177 Y178I177-L181 HydrophobicContact CG2-CD1 3.67Å; I177-L181 HydrophobicContact CG2-CG 4.16Å; I177-L181 WeakPolarHBondContact O-CB 3.48Å; I177-L181 VanDerWaalsContact O-CG 3.27Å; I177-L181 WeakPolarHBondContact O-CG 3.47Å; I177-L181 PolarHBondContact O-N 3.01Å; Y178-L181 PolarHBondContact O-N 3.41Å
182Y86.9Confident88Confident166 Ų16691 Ų9165%0.65146%0.456SS*.THydrogen-bonded Turntrans-93.30.4-178.4-154.9-99.6000113.5Y178 V180 D184Y178-Y182 HydrophobicContact CE1-CG 4.4Å; Y178-Y182 WeakPolarHBondContact O-CB 3.38Å; Y178-Y182 PolarHBondContact O-N 3.27Å; V180-Y182 PolarHBondContact O-N 2.99Å; Y182-D184 PolarHBondContact O-N 3.37Å
183W87.2Confident87.9Confident119 Ų11988.9 Ų88.945%0.45144%0.443SS..THydrogen-bonded Turntrans60.428.6-179.8-66.948.5000114.1K179 V180 D185 H186 Y193K179-W183 PolarHBondContact O-N 3.42Å; K179-W183 VanDerWaalsContact O-N 3.09Å; V180-W183 PolarHBondContact O-N 2.77Å; W183-D185 VanDerWaalsContact C-N 3.26Å; W183-D185 PolarHBondContact O-N 3.4Å; W183-H186 AromaticContact CE3-ND1 3.77Å; W183-Y193 AromaticContact CD1-CE2 3.98Å; W183-Y193 AromaticContact CE2-CD2 3.84Å; W183-Y193 AromaticContact CE2-CE2 3.79Å; W183-Y193 AromaticContact CZ2-CD2 3.71Å; W183-Y193 HydrophobicContact CZ2-CD2 3.71Å; W183-Y193 HydrophobicContact CZ2-CE2 4.1Å; W183-Y193 HydrophobicContact CZ2-CG 4.42Å; W183-Y193 AromaticContact NE1-CD2 3.74Å; W183-Y193 AromaticContact NE1-CE2 3.19Å; W183-Y193 AromaticContact NE1-CZ 3.95Å
184D85.1Confident88.1Confident109 Ų10987.3 Ų87.358%0.58344%0.437SS*.SBendtrans-60.6-35.2-179-167.451.9000111.9K179 Y182K179-D184 HydrophobicContact CB-CB 4.04Å; K179-D184 HydrophobicContact CG-CB 4.08Å; K179-D184 WeakPolarHBondContact CG-OD2 3.28Å; K179-D184 PolarHBondContact O-N 2.77Å; Y182-D184 PolarHBondContact O-N 3.37Å
185D80.4Confident88Confident67 Ų6787.2 Ų87.236%0.35844%0.436SS..SBendtrans-113.9105.9160.2169.721.1000110.1W183 A187 T188 S189W183-D185 VanDerWaalsContact C-N 3.26Å; W183-D185 PolarHBondContact O-N 3.4Å; D185-A187 PolarHBondContact O-N 3.18Å; D185-A187 WeakPolarHBondContact OD1-CA 3.27Å; D185-A187 WeakPolarHBondContact OD1-CB 3.32Å; D185-A187 PolarHBondContact OD1-N 2.83Å; D185-T188 WeakPolarHBondContact CB-OG1 3.34Å; D185-T188 VanDerWaalsContact CG-OG1 3.24Å; D185-T188 VanDerWaalsContact OD2-CB 3.25Å; D185-T188 WeakPolarHBondContact OD2-CB 3.34Å; D185-T188 WeakPolarHBondContact OD2-CG2 3.27Å; D185-T188 PolarHBondContact OD2-N 3.3Å; D185-T188 VanDerWaalsContact OD2-N 3.13Å; D185-T188 PolarHBondContact OD2-OG1 3.45Å; D185-S189 WeakPolarHBondContact O-CB 3.42Å; D185-S189 PolarHBondContact O-N 3.21Å; D185-S189 PolarHBondContact O-OG 3.46Å
186H88.5Confident88Confident130 Ų13085.4 Ų85.460%0.60243%0.432SS*.Hα-helixtrans-57.3-30.5175.9-73.6-71000113.8W183 S190W183-H186 AromaticContact CE3-ND1 3.77Å; H186-S190 WeakPolarHBondContact O-CB 3.2Å; H186-S190 PolarHBondContact O-N 3.39Å; H186-S190 PolarHBondContact O-OG 3.24Å
187A86.4Confident88.1Confident47 Ų4787.9 Ų87.939%0.38844%0.437SS..Hα-helixtrans-78.9-41.7-17400000112.7D185 S190 R191D185-A187 PolarHBondContact O-N 3.18Å; D185-A187 WeakPolarHBondContact OD1-CA 3.27Å; D185-A187 WeakPolarHBondContact OD1-CB 3.32Å; D185-A187 PolarHBondContact OD1-N 2.83Å; A187-S190 PolarHBondContact O-OG 2.9Å; A187-R191 VanDerWaalsContact O-CD 3.26Å; A187-R191 WeakPolarHBondContact O-CD 3.5Å; A187-R191 WeakPolarHBondContact O-CG 3.43Å
188T85.9Confident88.1Confident64 Ų6488.2 Ų88.239%0.39344%0.439SS..Hα-helixtrans-74.3-40.3171510000112.1D185 R191 F192D185-T188 WeakPolarHBondContact CB-OG1 3.34Å; D185-T188 VanDerWaalsContact CG-OG1 3.24Å; D185-T188 VanDerWaalsContact OD2-CB 3.25Å; D185-T188 WeakPolarHBondContact OD2-CB 3.34Å; D185-T188 WeakPolarHBondContact OD2-CG2 3.27Å; D185-T188 PolarHBondContact OD2-N 3.3Å; D185-T188 VanDerWaalsContact OD2-N 3.13Å; D185-T188 PolarHBondContact OD2-OG1 3.45Å; T188-R191 PolarHBondContact O-N 3.32Å; T188-F192 PolarHBondContact O-N 2.8Å
189S90.8Very high88Confident0 Ų084.1 Ų84.10%043%0.428CS..Hα-helixtrans-61.8-48.8-179.4-52.80000112V180 D185 R191 F192 Y193V180-S189 WeakPolarHBondContact CA-OG 3.41Å; V180-S189 PolarHBondContact O-OG 2.93Å; D185-S189 WeakPolarHBondContact O-CB 3.42Å; D185-S189 PolarHBondContact O-N 3.21Å; D185-S189 PolarHBondContact O-OG 3.46Å; S189-R191 VanDerWaalsContact C-N 3.34Å; S189-R191 PolarHBondContact O-N 2.94Å; S189-F192 PolarHBondContact O-N 3.35Å; S189-Y193 WeakPolarHBondContact O-CD2 3.29Å; S189-Y193 PolarHBondContact O-N 3.14Å
190S90Very high87.9Confident60 Ų6084.2 Ų84.242%0.4244%0.435SS..Hα-helixtrans-63.5-36.7178.258.80000113.1H186 A187 G194H186-S190 WeakPolarHBondContact O-CB 3.2Å; H186-S190 PolarHBondContact O-N 3.39Å; H186-S190 PolarHBondContact O-OG 3.24Å; A187-S190 PolarHBondContact O-OG 2.9Å; S190-G194 WeakPolarHBondContact O-CA 3.5Å; S190-G194 PolarHBondContact O-N 3.31Å
191R90.1Very high87.6Confident184 Ų18486 Ų8669%0.69445%0.448SS*.Hα-helixtrans-64.2-43.4172.8-73.4171.2-176.8161.51.2112A187 T188 S189 A195A187-R191 VanDerWaalsContact O-CD 3.26Å; A187-R191 WeakPolarHBondContact O-CD 3.5Å; A187-R191 WeakPolarHBondContact O-CG 3.43Å; T188-R191 PolarHBondContact O-N 3.32Å; S189-R191 VanDerWaalsContact C-N 3.34Å; S189-R191 PolarHBondContact O-N 2.94Å; R191-A195 VanDerWaalsContact O-CB 3.28Å; R191-A195 WeakPolarHBondContact O-CB 3.27Å; R191-A195 PolarHBondContact O-N 3.15Å
192F89Confident87.3Confident109 Ų10984.9 Ų84.948%0.47844%0.442SS..Hα-helixtrans-62.7-55.1177.5177.4-98.6000111.5V180 T188 S189 G194 A195 V196V180-F192 HydrophobicContact CG1-CB 4.07Å; V180-F192 HydrophobicContact CG1-CD1 3.5Å; V180-F192 VanDerWaalsContact CG1-CD1 3.5Å; V180-F192 HydrophobicContact CG1-CE1 4.1Å; V180-F192 HydrophobicContact CG1-CG 3.84Å; T188-F192 PolarHBondContact O-N 2.8Å; S189-F192 PolarHBondContact O-N 3.35Å; F192-G194 VanDerWaalsContact C-N 3.33Å; F192-G194 PolarHBondContact O-N 3.36Å; F192-A195 PolarHBondContact O-N 2.82Å; F192-V196 HydrophobicContact CD1-CG2 4.44Å; F192-V196 HydrophobicContact CE1-CG2 4.09Å; F192-V196 HydrophobicContact CE2-CG2 4.17Å; F192-V196 HydrophobicContact CZ-CG2 3.95Å; F192-V196 WeakPolarHBondContact O-CG2 3.42Å; F192-V196 PolarHBondContact O-N 2.99Å
193Y91.3Very high86.8Confident76 Ų7679.9 Ų79.930%0.29843%0.427SS..Hα-helixtrans-64.6-36.1179.6-71.8-65.8000112.8V180 W183 S189 L197V180-Y193 HydrophobicContact CG1-CE2 4.27Å; W183-Y193 AromaticContact CD1-CE2 3.98Å; W183-Y193 AromaticContact CE2-CD2 3.84Å; W183-Y193 AromaticContact CE2-CE2 3.79Å; W183-Y193 AromaticContact CZ2-CD2 3.71Å; W183-Y193 HydrophobicContact CZ2-CD2 3.71Å; W183-Y193 HydrophobicContact CZ2-CE2 4.1Å; W183-Y193 HydrophobicContact CZ2-CG 4.42Å; W183-Y193 AromaticContact NE1-CD2 3.74Å; W183-Y193 AromaticContact NE1-CE2 3.19Å; W183-Y193 AromaticContact NE1-CZ 3.95Å; S189-Y193 WeakPolarHBondContact O-CD2 3.29Å; S189-Y193 PolarHBondContact O-N 3.14Å; Y193-L197 VanDerWaalsContact O-CB 3.25Å; Y193-L197 WeakPolarHBondContact O-CB 3.32Å; Y193-L197 PolarHBondContact O-N 2.8Å
194G92.1Very high86.4Confident28 Ų2884 Ų8429%0.28944%0.443SS..Hα-helixtrans-62.5-46.3173.100000112.5S190 F192 L197 I198S190-G194 WeakPolarHBondContact O-CA 3.5Å; S190-G194 PolarHBondContact O-N 3.31Å; F192-G194 VanDerWaalsContact C-N 3.33Å; F192-G194 PolarHBondContact O-N 3.36Å; G194-L197 PolarHBondContact O-N 3.22Å; G194-I198 WeakPolarHBondContact O-CB 3.45Å; G194-I198 WeakPolarHBondContact O-CD1 3.21Å; G194-I198 VanDerWaalsContact O-CG1 3.23Å; G194-I198 WeakPolarHBondContact O-CG1 3.43Å; G194-I198 PolarHBondContact O-N 2.93Å
195A88.3Confident86Confident55 Ų5584.6 Ų84.646%0.45545%0.451SS..Hα-helixtrans-64.2-43.5176.500000112.2R191 F192 I198 V199R191-A195 VanDerWaalsContact O-CB 3.28Å; R191-A195 WeakPolarHBondContact O-CB 3.27Å; R191-A195 PolarHBondContact O-N 3.15Å; F192-A195 PolarHBondContact O-N 2.82Å; A195-I198 PolarHBondContact O-N 3.38Å; A195-V199 WeakPolarHBondContact O-CG2 3.48Å; A195-V199 PolarHBondContact O-N 3.5Å
196V88.4Confident85.8Confident65 Ų6583 Ų8339%0.39445%0.446SS..Hα-helixtrans-61.5-44.2175.2171.10000111F192 V199 V200F192-V196 HydrophobicContact CD1-CG2 4.44Å; F192-V196 HydrophobicContact CE1-CG2 4.09Å; F192-V196 HydrophobicContact CE2-CG2 4.17Å; F192-V196 HydrophobicContact CZ-CG2 3.95Å; F192-V196 WeakPolarHBondContact O-CG2 3.42Å; F192-V196 PolarHBondContact O-N 2.99Å; V196-V199 PolarHBondContact O-N 3.35Å; V196-V200 HydrophobicContact CG1-CG2 4.5Å; V196-V200 WeakPolarHBondContact O-CG2 3.28Å; V196-V200 PolarHBondContact O-N 3.41Å
197L89.9Confident85.3Confident108 Ų10881.1 Ų81.157%0.56545%0.446SS*.Hα-helixtrans-62.5-43.3176.7-177.662.4000111.7Y193 G194 V199 V200 C201Y193-L197 VanDerWaalsContact O-CB 3.25Å; Y193-L197 WeakPolarHBondContact O-CB 3.32Å; Y193-L197 PolarHBondContact O-N 2.8Å; G194-L197 PolarHBondContact O-N 3.22Å; L197-V199 PolarHBondContact O-N 2.9Å; L197-V200 PolarHBondContact O-N 2.71Å; L197-C201 WeakPolarHBondContact O-CB 3.37Å; L197-C201 PolarHBondContact O-N 2.91Å; L197-C201 PolarHBondContact O-SG 3.22Å
198I87.7Confident84.8Confident107 Ų10782.9 Ų82.955%0.54945%0.449SS..Hα-helixtrans-60.1-44.9175.1-70.9163.9000110.7G194 A195 C201 L202G194-I198 WeakPolarHBondContact O-CB 3.45Å; G194-I198 WeakPolarHBondContact O-CD1 3.21Å; G194-I198 VanDerWaalsContact O-CG1 3.23Å; G194-I198 WeakPolarHBondContact O-CG1 3.43Å; G194-I198 PolarHBondContact O-N 2.93Å; A195-I198 PolarHBondContact O-N 3.38Å; I198-C201 PolarHBondContact O-N 3.43Å; I198-L202 HydrophobicContact CG2-CD1 3.92Å; I198-L202 HydrophobicContact CG2-CG 4.43Å; I198-L202 WeakPolarHBondContact O-CB 3.31Å; I198-L202 VanDerWaalsContact O-CG 3.28Å; I198-L202 WeakPolarHBondContact O-CG 3.26Å; I198-L202 PolarHBondContact O-N 2.96Å
199V85.8Confident84.5Confident55 Ų5580.4 Ų80.433%0.33344%0.436SS..Hα-helixtrans-62.8-43.1176.7170.60000111.5A195 V196 L197 L202 L203A195-V199 WeakPolarHBondContact O-CG2 3.48Å; A195-V199 PolarHBondContact O-N 3.5Å; V196-V199 PolarHBondContact O-N 3.35Å; L197-V199 PolarHBondContact O-N 2.9Å; V199-L202 PolarHBondContact O-N 3.2Å; V199-L203 HydrophobicContact CG1-CD1 3.88Å; V199-L203 HydrophobicContact CG1-CG 4.4Å; V199-L203 WeakPolarHBondContact O-CB 3.34Å; V199-L203 VanDerWaalsContact O-CG 3.27Å; V199-L203 WeakPolarHBondContact O-CG 3.39Å; V199-L203 PolarHBondContact O-N 3.29Å
200V85.8Confident84.1Confident81 Ų8188.6 Ų88.649%0.49147%0.467SS..Hα-helixtrans-63.9-42.5175.9170.60000111.6V196 L197 L203 Y204V196-V200 HydrophobicContact CG1-CG2 4.5Å; V196-V200 WeakPolarHBondContact O-CG2 3.28Å; V196-V200 PolarHBondContact O-N 3.41Å; L197-V200 PolarHBondContact O-N 2.71Å; V200-L203 PolarHBondContact O-N 3.48Å; V200-Y204 WeakPolarHBondContact O-CB 3.16Å; V200-Y204 PolarHBondContact O-N 2.94Å
201C83.2Confident83.9Confident64 Ų6486.6 Ų86.643%0.43245%0.452SS..Hα-helixtrans-63.7-39.9174.9-710000112.1L197 I198 Y204 V205L197-C201 WeakPolarHBondContact O-CB 3.37Å; L197-C201 PolarHBondContact O-N 2.91Å; L197-C201 PolarHBondContact O-SG 3.22Å; I198-C201 PolarHBondContact O-N 3.43Å; C201-Y204 PolarHBondContact O-N 3.4Å; C201-V205 WeakPolarHBondContact O-CB 3.36Å; C201-V205 WeakPolarHBondContact O-CG2 3.49Å; C201-V205 PolarHBondContact O-N 2.94Å
202L80.4Confident83.6Confident88 Ų8880.4 Ų80.446%0.46143%0.432SS..Hα-helixtrans-65-44.6175.1-72.9169.7000111.7I198 V199 Y204 V205 A206 V211I198-L202 HydrophobicContact CG2-CD1 3.92Å; I198-L202 HydrophobicContact CG2-CG 4.43Å; I198-L202 WeakPolarHBondContact O-CB 3.31Å; I198-L202 VanDerWaalsContact O-CG 3.28Å; I198-L202 WeakPolarHBondContact O-CG 3.26Å; I198-L202 PolarHBondContact O-N 2.96Å; V199-L202 PolarHBondContact O-N 3.2Å; L202-Y204 PolarHBondContact O-N 2.9Å; L202-V205 PolarHBondContact O-N 2.85Å; L202-A206 WeakPolarHBondContact O-CB 3.48Å; L202-A206 PolarHBondContact O-N 3.11Å; L202-V211 HydrophobicContact CB-CG1 4.3Å; L202-V211 HydrophobicContact CB-CG2 4.38Å; L202-V211 WeakPolarHBondContact O-CG2 3.21Å
203L77.6Confident83.5Confident62 Ų6275.5 Ų75.533%0.32541%0.412SS..Hα-helixtrans-62.9-23.9175.2-71.3167.9000113.5V199 V200 L208 V211V199-L203 HydrophobicContact CG1-CD1 3.88Å; V199-L203 HydrophobicContact CG1-CG 4.4Å; V199-L203 WeakPolarHBondContact O-CB 3.34Å; V199-L203 VanDerWaalsContact O-CG 3.27Å; V199-L203 WeakPolarHBondContact O-CG 3.39Å; V199-L203 PolarHBondContact O-N 3.29Å; V200-L203 PolarHBondContact O-N 3.48Å; L203-L208 HydrophobicContact CB-CD2 4.12Å; L203-L208 HydrophobicContact CD2-CD2 3.69Å; L203-L208 VanDerWaalsContact O-CD2 3.32Å; L203-L208 WeakPolarHBondContact O-CD2 3.29Å; L203-V211 HydrophobicContact CD2-CB 3.93Å; L203-V211 HydrophobicContact CD2-CG1 3.67Å; L203-V211 HydrophobicContact CD2-CG2 4.44Å; L203-V211 HydrophobicContact CG-CG1 4.03Å
204Y77.8Confident83.2Confident205 Ų20573.4 Ų73.480%0.80441%0.414SS*.Hα-helixtrans-88.7-36.8177.1-179.5-98.9000113.4V200 C201 L202V200-Y204 WeakPolarHBondContact O-CB 3.16Å; V200-Y204 PolarHBondContact O-N 2.94Å; C201-Y204 PolarHBondContact O-N 3.4Å; L202-Y204 PolarHBondContact O-N 2.9Å
205V76.4Confident82.9Confident121 Ų12175.4 Ų75.473%0.73342%0.417SS*.Hα-helixtrans-93.6-35.3-173.6176.90000112.9C201 L202C201-V205 WeakPolarHBondContact O-CB 3.36Å; C201-V205 WeakPolarHBondContact O-CG2 3.49Å; C201-V205 PolarHBondContact O-N 2.94Å; L202-V205 PolarHBondContact O-N 2.85Å
206A76.1Confident82.9Confident33 Ų3373.7 Ų73.727%0.27340%0.401SS..SBendtrans-99.2147.8178.100000110.8L202 L208 V211L202-A206 WeakPolarHBondContact O-CB 3.48Å; L202-A206 PolarHBondContact O-N 3.11Å; A206-L208 PolarHBondContact O-N 3.23Å; A206-V211 HydrophobicContact CB-CG2 3.78Å
207P78.9Confident82.9Confident91 Ų9172.1 Ų72.159%0.59139%0.393SS*.  trans-61.2129.6176.6-15.927.8000109.9G209 W210P207-G209 PolarHBondContact O-N 3.39Å; P207-W210 PolarHBondContact O-N 2.81Å
208L76.4Confident82.8Confident85 Ų8571.4 Ų71.445%0.44539%0.388SS..Hα-helixtrans-47.2-37.6-167.9-66170000114.2L203 A206 W210 V211 L212L203-L208 HydrophobicContact CB-CD2 4.12Å; L203-L208 HydrophobicContact CD2-CD2 3.69Å; L203-L208 VanDerWaalsContact O-CD2 3.32Å; L203-L208 WeakPolarHBondContact O-CD2 3.29Å; A206-L208 PolarHBondContact O-N 3.23Å; L208-W210 VanDerWaalsContact C-N 3.35Å; L208-W210 PolarHBondContact O-N 3.37Å; L208-V211 PolarHBondContact O-N 3.43Å; L208-L212 WeakPolarHBondContact O-CG 3.05Å; L208-L212 PolarHBondContact O-N 3.4Å
209G78.6Confident82.8Confident12 Ų1270.4 Ų70.412%0.12439%0.387CS..Hα-helixtrans-55.9-41.7176.700000114.6F91 P207 L212 A213F91-G209 WeakPolarHBondContact O-CA 3.14Å; P207-G209 PolarHBondContact O-N 3.39Å; G209-L212 PolarHBondContact O-N 3.4Å; G209-A213 VanDerWaalsContact O-CB 3.27Å; G209-A213 WeakPolarHBondContact O-CB 3.04Å; G209-A213 PolarHBondContact O-N 2.94Å
210W82.8Confident82.8Confident172 Ų17268.3 Ų68.365%0.65237%0.373SS*.Hα-helixtrans-70.3-34.8178.1-69101.2000112.5P207 L208 G214P207-W210 PolarHBondContact O-N 2.81Å; L208-W210 VanDerWaalsContact C-N 3.35Å; L208-W210 PolarHBondContact O-N 3.37Å; W210-G214 PolarHBondContact O-N 3.43Å
211V85.5Confident82.6Confident18 Ų1867.7 Ų67.711%0.10937%0.367CS..Hα-helixtrans-69.7-41.4176.4-171.50000110.3L202 L203 A206 L208 G214 L215L202-V211 HydrophobicContact CB-CG1 4.3Å; L202-V211 HydrophobicContact CB-CG2 4.38Å; L202-V211 WeakPolarHBondContact O-CG2 3.21Å; L203-V211 HydrophobicContact CD2-CB 3.93Å; L203-V211 HydrophobicContact CD2-CG1 3.67Å; L203-V211 HydrophobicContact CD2-CG2 4.44Å; L203-V211 HydrophobicContact CG-CG1 4.03Å; A206-V211 HydrophobicContact CB-CG2 3.78Å; L208-V211 PolarHBondContact O-N 3.43Å; V211-G214 PolarHBondContact O-N 2.82Å; V211-L215 HydrophobicContact CG1-CD1 4.22Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 VanDerWaalsContact O-CG 3.29Å; V211-L215 WeakPolarHBondContact O-CG 3.44Å; V211-L215 PolarHBondContact O-N 2.96Å
212L83.9Confident82.6Confident54 Ų5475 Ų7528%0.28339%0.385SS..Hα-helixtrans-68.8-37.8176.9-68.4168000112.3F91 W99 L208 G209 N216F91-L212 HydrophobicContact CB-CB 4.08Å; F91-L212 HydrophobicContact CD1-CB 4.4Å; F91-L212 HydrophobicContact CD2-CB 4.14Å; F91-L212 HydrophobicContact CG-CB 3.96Å; W99-L212 HydrophobicContact CH2-CD1 3.64Å; W99-L212 HydrophobicContact CZ2-CD1 3.44Å; W99-L212 VanDerWaalsContact CZ2-CD1 3.44Å; L208-L212 WeakPolarHBondContact O-CG 3.05Å; L208-L212 PolarHBondContact O-N 3.4Å; G209-L212 PolarHBondContact O-N 3.4Å; L212-N216 VanDerWaalsContact O-CB 3.24Å; L212-N216 WeakPolarHBondContact O-CB 3.26Å; L212-N216 PolarHBondContact O-N 3.34Å
213A86.7Confident82.7Confident5 Ų573 Ų734%0.04138%0.375CS..Hα-helixtrans-62-47.2169.500000111.7N88 F91 G209 L215 N216 S217N88-A213 HydrophobicContact CB-CB 4.46Å; N88-A213 VanDerWaalsContact OD1-C 3.31Å; N88-A213 WeakPolarHBondContact OD1-CA 3.21Å; N88-A213 VanDerWaalsContact OD1-CB 3.32Å; N88-A213 WeakPolarHBondContact OD1-CB 3.49Å; N88-A213 PolarHBondContact OD1-O 3.33Å; F91-A213 HydrophobicContact CB-CB 4.45Å; G209-A213 VanDerWaalsContact O-CB 3.27Å; G209-A213 WeakPolarHBondContact O-CB 3.04Å; G209-A213 PolarHBondContact O-N 2.94Å; A213-L215 PolarHBondContact O-N 2.91Å; A213-N216 PolarHBondContact O-N 2.84Å; A213-S217 WeakPolarHBondContact O-CB 3.5Å; A213-S217 PolarHBondContact O-N 3.48Å; A213-S217 PolarHBondContact O-OG 2.87Å; A213-S217 VanDerWaalsContact O-OG 3.09Å
214G84.5Confident82.6Confident33 Ų3380.3 Ų80.334%0.3440%0.398SS..Hα-helixtrans-58.7-46.417500000112.9W210 V211 S217 I218W210-G214 PolarHBondContact O-N 3.43Å; V211-G214 PolarHBondContact O-N 2.82Å; G214-S217 PolarHBondContact O-N 3.01Å; G214-I218 VanDerWaalsContact O-CG1 3.29Å; G214-I218 WeakPolarHBondContact O-CG1 3.45Å; G214-I218 PolarHBondContact O-N 3.34Å
215L86.7Confident82.7Confident69 Ų6972.2 Ų72.236%0.36137%0.369SS..Hα-helixtrans-63.6-41.9175.6-73.6171.7000112.3V211 A213 I218 V219V211-L215 HydrophobicContact CG1-CD1 4.22Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 VanDerWaalsContact O-CG 3.29Å; V211-L215 WeakPolarHBondContact O-CG 3.44Å; V211-L215 PolarHBondContact O-N 2.96Å; A213-L215 PolarHBondContact O-N 2.91Å; L215-I218 PolarHBondContact O-N 3.23Å; L215-V219 WeakPolarHBondContact O-CB 3.48Å; L215-V219 VanDerWaalsContact O-CG2 3.31Å; L215-V219 WeakPolarHBondContact O-CG2 3.49Å; L215-V219 PolarHBondContact O-N 2.69Å
216N87.9Confident82.9Confident20 Ų2068.1 Ų68.111%0.10734%0.341CS..Hα-helixtrans-62.8-45.4175.7-176.8-104.6000111.6N88 F91 L212 A213 I218 V219 F220N88-N216 PolarHBondContact ND2-OD1 2.93Å; N88-N216 VanDerWaalsContact ND2-OD1 3.1Å; F91-N216 HydrophobicContact CD2-CB 4.18Å; F91-N216 HydrophobicContact CE2-CB 3.88Å; L212-N216 VanDerWaalsContact O-CB 3.24Å; L212-N216 WeakPolarHBondContact O-CB 3.26Å; L212-N216 PolarHBondContact O-N 3.34Å; A213-N216 PolarHBondContact O-N 2.84Å; N216-I218 PolarHBondContact O-N 3.5Å; N216-V219 PolarHBondContact O-N 3.11Å; N216-F220 WeakPolarHBondContact O-CD2 3.46Å; N216-F220 PolarHBondContact O-N 2.99Å
217S88.3Confident83Confident32 Ų3274.1 Ų74.122%0.22436%0.358CS..Hα-helixtrans-59.4-45174.6-690000111.7N88 A213 G214 F220 L221N88-S217 PolarHBondContact ND2-OG 3.24Å; N88-S217 PolarHBondContact OD1-OG 3.46Å; A213-S217 WeakPolarHBondContact O-CB 3.5Å; A213-S217 PolarHBondContact O-N 3.48Å; A213-S217 PolarHBondContact O-OG 2.87Å; A213-S217 VanDerWaalsContact O-OG 3.09Å; G214-S217 PolarHBondContact O-N 3.01Å; S217-F220 PolarHBondContact O-N 3.47Å; S217-L221 WeakPolarHBondContact O-CB 3.44Å; S217-L221 WeakPolarHBondContact O-CD1 3.27Å; S217-L221 WeakPolarHBondContact O-CG 3.32Å; S217-L221 PolarHBondContact O-N 3.42Å
218I87.7Confident83.1Confident93 Ų9376.5 Ų76.548%0.47736%0.355SS..Hα-helixtrans-59.4-49173.9-69.6162.7000110.5G214 L215 N216 F220 L221 W222G214-I218 VanDerWaalsContact O-CG1 3.29Å; G214-I218 WeakPolarHBondContact O-CG1 3.45Å; G214-I218 PolarHBondContact O-N 3.34Å; L215-I218 PolarHBondContact O-N 3.23Å; N216-I218 PolarHBondContact O-N 3.5Å; I218-F220 VanDerWaalsContact C-N 3.3Å; I218-F220 PolarHBondContact O-N 3.37Å; I218-L221 PolarHBondContact O-N 3.1Å; I218-W222 HydrophobicContact CG2-CB 4.5Å; I218-W222 HydrophobicContact CG2-CE3 4.18Å; I218-W222 WeakPolarHBondContact O-CB 3.3Å; I218-W222 PolarHBondContact O-N 2.93Å
219V87.4Confident83.4Confident85 Ų8574 Ų7452%0.51534%0.343SS..Hα-helixtrans-59.7-36.9-178.2163.10000112.8L72 L215 N216L72-V219 HydrophobicContact CD2-CG1 3.57Å; L215-V219 WeakPolarHBondContact O-CB 3.48Å; L215-V219 VanDerWaalsContact O-CG2 3.31Å; L215-V219 WeakPolarHBondContact O-CG2 3.49Å; L215-V219 PolarHBondContact O-N 2.69Å; N216-V219 PolarHBondContact O-N 3.11Å
220F85.4Confident83.4Confident12 Ų1277.8 Ų77.85%0.05336%0.36CS..Hα-helixtrans-79.6-41.6174.7-86.9-97.9000113.3L71 L72 W74 V83 C84 L87 N216 S217 I218L71-F220 HydrophobicContact CB-CE1 4.45Å; L72-F220 HydrophobicContact CD2-CD1 4.39Å; L72-F220 HydrophobicContact CD2-CD2 4.06Å; L72-F220 HydrophobicContact CD2-CE1 4.39Å; L72-F220 HydrophobicContact CD2-CE2 4.05Å; L72-F220 HydrophobicContact CD2-CG 4.23Å; L72-F220 HydrophobicContact CD2-CZ 4.23Å; W74-F220 HydrophobicContact CZ2-CB 4.27Å; W74-F220 HydrophobicContact CZ2-CD1 4.31Å; W74-F220 PolarHBondContact NE1-O 3.36Å; V83-F220 HydrophobicContact CG1-CZ 4Å; C84-F220 HydrophobicContact CB-CB 4.34Å; C84-F220 HydrophobicContact CB-CD1 3.86Å; C84-F220 HydrophobicContact CB-CD2 4.25Å; C84-F220 HydrophobicContact CB-CE1 4.18Å; C84-F220 HydrophobicContact CB-CG 3.89Å; L87-F220 HydrophobicContact CD1-CE2 4.32Å; N216-F220 WeakPolarHBondContact O-CD2 3.46Å; N216-F220 PolarHBondContact O-N 2.99Å; S217-F220 PolarHBondContact O-N 3.47Å; I218-F220 VanDerWaalsContact C-N 3.3Å; I218-F220 PolarHBondContact O-N 3.37Å
221L82.7Confident83.4Confident68 Ų6873.5 Ų73.536%0.35635%0.35SS..Hα-helixtrans-88.8-18.3-169-59169.6000114.2W74 S217 I218 N223 F226W74-L221 HydrophobicContact CZ2-CD2 4.26Å; S217-L221 WeakPolarHBondContact O-CB 3.44Å; S217-L221 WeakPolarHBondContact O-CD1 3.27Å; S217-L221 WeakPolarHBondContact O-CG 3.32Å; S217-L221 PolarHBondContact O-N 3.42Å; I218-L221 PolarHBondContact O-N 3.1Å; L221-N223 PolarHBondContact O-N 2.89Å; L221-F226 HydrophobicContact CB-CD1 4.37Å; L221-F226 HydrophobicContact CD2-CD1 3.86Å; L221-F226 HydrophobicContact CD2-CD2 4.12Å; L221-F226 HydrophobicContact CD2-CE1 3.5Å; L221-F226 VanDerWaalsContact CD2-CE1 3.5Å; L221-F226 HydrophobicContact CD2-CE2 3.77Å; L221-F226 HydrophobicContact CD2-CG 4.17Å; L221-F226 HydrophobicContact CD2-CZ 3.44Å; L221-F226 VanDerWaalsContact CD2-CZ 3.44Å
222W83.8Confident83.2Confident216 Ų21676.3 Ų76.382%0.81837%0.365SS*.THydrogen-bonded Turntrans-69.8-15.8179.8-171-82.6000113.4I218I218-W222 HydrophobicContact CG2-CB 4.5Å; I218-W222 HydrophobicContact CG2-CE3 4.18Å; I218-W222 WeakPolarHBondContact O-CB 3.3Å; I218-W222 PolarHBondContact O-N 2.93Å
223N80.8Confident83Confident46 Ų4678.1 Ų78.125%0.24637%0.374CS..SBendtrans-71.6133.3179.7-172.32.9000111.9L72 L221 D225 F226L72-N223 PolarHBondContact O-ND2 3.39Å; L221-N223 PolarHBondContact O-N 2.89Å; N223-D225 PolarHBondContact ND2-OD2 2.9Å; N223-D225 PolarHBondContact O-N 3.48Å; N223-D225 PolarHBondContact OD1-N 3.04Å; N223-D225 PolarHBondContact OD1-OD2 3.3Å; N223-F226 VanDerWaalsContact O-CB 3.32Å; N223-F226 WeakPolarHBondContact O-CB 3.34Å; N223-F226 PolarHBondContact O-N 3.47Å
224R76.5Confident82.8Confident216 Ų21684.8 Ų84.882%0.81540%0.398SS*.Hα-helixtrans-55.5-29170.2-76.2-178160.5-168.1-7.4113.6F226 Y227 R228R224-F226 VanDerWaalsContact C-N 3.29Å; R224-F226 PolarHBondContact O-N 2.85Å; R224-Y227 PolarHBondContact O-N 3.28Å; R224-R228 PolarHBondContact O-N 2.71Å
225D80.6Confident82.7Confident35 Ų3587 Ų8719%0.18740%0.402CS..Hα-helixtrans-65.9-29.4175.5-61.4-52.5000112.9W74 N223 R228 V229W74-D225 HydrophobicContact CB-CB 4.48Å; N223-D225 PolarHBondContact ND2-OD2 2.9Å; N223-D225 PolarHBondContact O-N 3.48Å; N223-D225 PolarHBondContact OD1-N 3.04Å; N223-D225 PolarHBondContact OD1-OD2 3.3Å; D225-R228 PolarHBondContact O-N 2.9Å; D225-R228 IonicContact OD1-CZ 3.78Å; D225-R228 IonicContact OD1-NH1 3.16Å; D225-R228 PolarHBondContact OD1-NH1 2.8Å; D225-V229 PolarHBondContact O-N 3.3Å
226F80.1Confident82.2Confident35 Ų3589.3 Ų89.315%0.15441%0.414CS..Hα-helixtrans-62.4-44.3173.7174.3-113.3000111.3W74 L221 N223 R224 R228 V229 L230W74-F226 HydrophobicContact CD2-CB 4.3Å; W74-F226 AromaticContact CD2-CD2 3.8Å; W74-F226 HydrophobicContact CD2-CD2 3.8Å; W74-F226 AromaticContact CE2-CD2 3.51Å; W74-F226 AromaticContact CE3-CD2 3.95Å; W74-F226 HydrophobicContact CE3-CD2 3.95Å; W74-F226 HydrophobicContact CG-CB 4.26Å; W74-F226 AromaticContact CH2-CD2 3.62Å; W74-F226 HydrophobicContact CH2-CD2 3.62Å; W74-F226 AromaticContact CH2-CE2 3.7Å; W74-F226 HydrophobicContact CH2-CE2 3.7Å; W74-F226 AromaticContact CZ2-CD2 3.43Å; W74-F226 HydrophobicContact CZ2-CD2 3.43Å; W74-F226 VanDerWaalsContact CZ2-CD2 3.43Å; W74-F226 AromaticContact CZ2-CE2 3.9Å; W74-F226 HydrophobicContact CZ2-CE2 3.9Å; W74-F226 HydrophobicContact CZ2-CG 4.2Å; W74-F226 AromaticContact CZ3-CD2 3.87Å; W74-F226 HydrophobicContact CZ3-CD2 3.87Å; W74-F226 HydrophobicContact CZ3-CE2 4.05Å; L221-F226 HydrophobicContact CB-CD1 4.37Å; L221-F226 HydrophobicContact CD2-CD1 3.86Å; L221-F226 HydrophobicContact CD2-CD2 4.12Å; L221-F226 HydrophobicContact CD2-CE1 3.5Å; L221-F226 VanDerWaalsContact CD2-CE1 3.5Å; L221-F226 HydrophobicContact CD2-CE2 3.77Å; L221-F226 HydrophobicContact CD2-CG 4.17Å; L221-F226 HydrophobicContact CD2-CZ 3.44Å; L221-F226 VanDerWaalsContact CD2-CZ 3.44Å; N223-F226 VanDerWaalsContact O-CB 3.32Å; N223-F226 WeakPolarHBondContact O-CB 3.34Å; N223-F226 PolarHBondContact O-N 3.47Å; R224-F226 VanDerWaalsContact C-N 3.29Å; R224-F226 PolarHBondContact O-N 2.85Å; F226-R228 VanDerWaalsContact C-N 3.29Å; F226-R228 PolarHBondContact O-N 2.79Å; F226-V229 PolarHBondContact O-N 2.99Å; F226-L230 HydrophobicContact CE1-CD1 3.96Å; F226-L230 HydrophobicContact CE2-CD1 4.36Å; F226-L230 HydrophobicContact CZ-CD1 3.6Å; F226-L230 WeakPolarHBondContact O-CB 3.24Å; F226-L230 PolarHBondContact O-N 3.01Å
227Y76.9Confident81.5Confident160 Ų16095.2 Ų95.263%0.62744%0.439SS*.Hα-helixtrans-62.9-34.8176.9-72-89.2000112.5R224 L231R224-Y227 PolarHBondContact O-N 3.28Å; Y227-L231 WeakPolarHBondContact O-CB 3.33Å; Y227-L231 PolarHBondContact O-N 2.98Å
228R82.1Confident80.8Confident140 Ų14098.1 Ų98.153%0.52845%0.449SS..Hα-helixtrans-64.4-53.2172.1-168.4-172.1-64.8106.3-0.3110.6R224 D225 F226 L230 L231 D232R224-R228 PolarHBondContact O-N 2.71Å; D225-R228 PolarHBondContact O-N 2.9Å; D225-R228 IonicContact OD1-CZ 3.78Å; D225-R228 IonicContact OD1-NH1 3.16Å; D225-R228 PolarHBondContact OD1-NH1 2.8Å; F226-R228 VanDerWaalsContact C-N 3.29Å; F226-R228 PolarHBondContact O-N 2.79Å; R228-L230 VanDerWaalsContact C-N 3.26Å; R228-L230 PolarHBondContact O-N 3.4Å; R228-L231 WeakPolarHBondContact O-CA 3.43Å; R228-L231 WeakPolarHBondContact O-CB 3.29Å; R228-L231 PolarHBondContact O-N 3.3Å; R228-D232 PolarHBondContact O-N 3.1Å
229V81.8Confident79.7Confident32 Ų3298.2 Ų98.219%0.19445%0.45CS..Hα-helixtrans-56.3-39.1178.1162.80000112.4W74 P77 D225 F226 D232 L233W74-V229 HydrophobicContact CB-CG2 4.1Å; W74-V229 HydrophobicContact CE3-CG1 4.36Å; P77-V229 HydrophobicContact CB-CG1 3.51Å; P77-V229 HydrophobicContact CB-CG2 4.21Å; P77-V229 HydrophobicContact CG-CG1 4.31Å; D225-V229 PolarHBondContact O-N 3.3Å; F226-V229 PolarHBondContact O-N 2.99Å; V229-D232 PolarHBondContact O-N 3.43Å; V229-L233 VanDerWaalsContact O-CB 3.25Å; V229-L233 WeakPolarHBondContact O-CB 3.32Å; V229-L233 PolarHBondContact O-N 3.5Å
230L80.1Confident78.4Confident92 Ų9295.6 Ų95.648%0.48244%0.44SS..Hα-helixtrans-71.2-33.3178.3-172.8141.5000112.3F226 R228 R234F226-L230 HydrophobicContact CE1-CD1 3.96Å; F226-L230 HydrophobicContact CE2-CD1 4.36Å; F226-L230 HydrophobicContact CZ-CD1 3.6Å; F226-L230 WeakPolarHBondContact O-CB 3.24Å; F226-L230 PolarHBondContact O-N 3.01Å; R228-L230 VanDerWaalsContact C-N 3.26Å; R228-L230 PolarHBondContact O-N 3.4Å; L230-R234 VanDerWaalsContact O-CB 3.3Å; L230-R234 WeakPolarHBondContact O-CB 3.31Å; L230-R234 PolarHBondContact O-N 2.86Å
231L81.5Confident77.1Confident83 Ų83101.8 Ų101.844%0.43547%0.469SS..Hα-helixtrans-69-45.4171.1-173.766.6000111.3Y227 R228 L233 R234 N235Y227-L231 WeakPolarHBondContact O-CB 3.33Å; Y227-L231 PolarHBondContact O-N 2.98Å; R228-L231 WeakPolarHBondContact O-CA 3.43Å; R228-L231 WeakPolarHBondContact O-CB 3.29Å; R228-L231 PolarHBondContact O-N 3.3Å; L231-L233 PolarHBondContact O-N 3.28Å; L231-R234 WeakPolarHBondContact O-CB 3.41Å; L231-R234 PolarHBondContact O-N 3.3Å; L231-N235 WeakPolarHBondContact O-CB 3.27Å; L231-N235 PolarHBondContact O-N 3.42Å; L231-N235 PolarHBondContact O-ND2 2.9Å; L231-N235 PolarHBondContact O-OD1 3.46Å
232D82.2Confident75.8Confident77 Ų77101.8 Ų101.841%0.41247%0.472SS..Hα-helixtrans-61-44.5177.6-61.8-28.8000111R228 V229 N235 L236R228-D232 PolarHBondContact O-N 3.1Å; V229-D232 PolarHBondContact O-N 3.43Å; D232-N235 PolarHBondContact O-N 3Å; D232-L236 WeakPolarHBondContact O-CG 3.23Å; D232-L236 PolarHBondContact O-N 2.84Å
233L78.8Confident74.4Confident92 Ų9297.2 Ų97.248%0.48246%0.46SS..Hα-helixtrans-64.6-41.4176.4-169.171000111.8V229 L231 N235 L236 F237V229-L233 VanDerWaalsContact O-CB 3.25Å; V229-L233 WeakPolarHBondContact O-CB 3.32Å; V229-L233 PolarHBondContact O-N 3.5Å; L231-L233 PolarHBondContact O-N 3.28Å; L233-N235 VanDerWaalsContact C-N 3.33Å; L233-N235 PolarHBondContact O-N 2.86Å; L233-L236 PolarHBondContact O-N 3.28Å; L233-F237 HydrophobicContact CD1-CE2 4.18Å; L233-F237 HydrophobicContact CD2-CE2 4.27Å; L233-F237 HydrophobicContact CG-CD2 4.05Å; L233-F237 HydrophobicContact CG-CE2 3.91Å; L233-F237 VanDerWaalsContact O-CD2 3.28Å; L233-F237 WeakPolarHBondContact O-CD2 3.43Å; L233-F237 PolarHBondContact O-N 2.88Å
234R83.9Confident72.9Confident145 Ų145100.2 Ų100.255%0.54748%0.48SS..Hα-helixtrans-59.4-43.5172.3166.4179.3167.6-155.5-10111.4L230 L231 F237 H238L230-R234 VanDerWaalsContact O-CB 3.3Å; L230-R234 WeakPolarHBondContact O-CB 3.31Å; L230-R234 PolarHBondContact O-N 2.86Å; L231-R234 WeakPolarHBondContact O-CB 3.41Å; L231-R234 PolarHBondContact O-N 3.3Å; R234-F237 PolarHBondContact O-N 3.39Å; R234-H238 PolarHBondContact NE-NE2 3.37Å; R234-H238 PolarHBondContact O-CD2 2.88Å; R234-H238 PolarHBondContact O-N 3.49Å
235N80.6Confident71.7Confident80 Ų8096.5 Ų96.543%0.42848%0.476SS..Hα-helixtrans-65.6-39.5179.8-66.9-18000111.4L231 D232 L233 H238 L239L231-N235 WeakPolarHBondContact O-CB 3.27Å; L231-N235 PolarHBondContact O-N 3.42Å; L231-N235 PolarHBondContact O-ND2 2.9Å; L231-N235 PolarHBondContact O-OD1 3.46Å; D232-N235 PolarHBondContact O-N 3Å; L233-N235 VanDerWaalsContact C-N 3.33Å; L233-N235 PolarHBondContact O-N 2.86Å; N235-H238 PolarHBondContact O-N 3.02Å; N235-L239 WeakPolarHBondContact O-CB 3.46Å; N235-L239 PolarHBondContact O-N 2.92Å
236L77Confident70.2Confident116 Ų116100.4 Ų100.461%0.60749%0.493SS*.Hα-helixtrans-62.9-41.5172.2-72168.5000112.5D232 L233 L239 G240D232-L236 WeakPolarHBondContact O-CG 3.23Å; D232-L236 PolarHBondContact O-N 2.84Å; L233-L236 PolarHBondContact O-N 3.28Å; L236-L239 PolarHBondContact O-N 2.89Å; L236-G240 PolarHBondContact O-N 2.94Å
237F74.2Confident68.6Low145 Ų145101.9 Ų101.964%0.63652%0.518SS*.Hα-helixtrans-64.4-43175-87.8-66.7000112.5L233 R234 Q241L233-F237 HydrophobicContact CD1-CE2 4.18Å; L233-F237 HydrophobicContact CD2-CE2 4.27Å; L233-F237 HydrophobicContact CG-CD2 4.05Å; L233-F237 HydrophobicContact CG-CE2 3.91Å; L233-F237 VanDerWaalsContact O-CD2 3.28Å; L233-F237 WeakPolarHBondContact O-CD2 3.43Å; L233-F237 PolarHBondContact O-N 2.88Å; R234-F237 PolarHBondContact O-N 3.39Å; F237-Q241 VanDerWaalsContact O-CB 3.3Å; F237-Q241 WeakPolarHBondContact O-CB 3.39Å; F237-Q241 PolarHBondContact O-N 2.86Å
238H72.5Confident66.9Low92 Ų92101.9 Ų101.943%0.42653%0.528SS..Hα-helixtrans-62.6-47.5174.3-74.9-60.2000111.9R234 N235 G240 Q241 T242R234-H238 PolarHBondContact NE-NE2 3.37Å; R234-H238 PolarHBondContact O-CD2 2.88Å; R234-H238 PolarHBondContact O-N 3.49Å; N235-H238 PolarHBondContact O-N 3.02Å; H238-G240 PolarHBondContact O-N 2.96Å; H238-Q241 WeakPolarHBondContact O-CB 3.5Å; H238-Q241 PolarHBondContact O-N 3.21Å; H238-Q241 VanDerWaalsContact O-N 3.13Å; H238-T242 PolarHBondContact O-N 3.27Å; H238-T242 PolarHBondContact O-OG1 3.23Å; H238-T242 VanDerWaalsContact O-OG1 3.12Å
239L65.2Low64.9Low96 Ų96100 Ų10050%0.50354%0.536SS..Hα-helixtrans-62.7-42.6-179.2-176.862.1000112.4N235 L236 Q241 T242 Q243N235-L239 WeakPolarHBondContact O-CB 3.46Å; N235-L239 PolarHBondContact O-N 2.92Å; L236-L239 PolarHBondContact O-N 2.89Å; L239-Q241 VanDerWaalsContact C-N 3.3Å; L239-Q241 PolarHBondContact O-N 3.39Å; L239-T242 PolarHBondContact O-N 3.45Å; L239-Q243 WeakPolarHBondContact O-CG 3.25Å; L239-Q243 PolarHBondContact O-N 3.5Å
240G59.3Low62.9Low30 Ų30107.3 Ų107.331%0.30957%0.568SS.*Hα-helixtrans-64.9-33174.200000113L236 H238 T244L236-G240 PolarHBondContact O-N 2.94Å; H238-G240 PolarHBondContact O-N 2.96Å; G240-T244 WeakPolarHBondContact O-CB 3.27Å; G240-T244 PolarHBondContact O-N 2.92Å; G240-T244 PolarHBondContact O-OG1 3.14Å
241Q59.4Low60.8Low142 Ų142112.2 Ų112.266%0.66459%0.589SS**Hα-helixtrans-70.6-35.2175.7-166.4168.916.700112.3F237 H238 L239 L245F237-Q241 VanDerWaalsContact O-CB 3.3Å; F237-Q241 WeakPolarHBondContact O-CB 3.39Å; F237-Q241 PolarHBondContact O-N 2.86Å; H238-Q241 WeakPolarHBondContact O-CB 3.5Å; H238-Q241 PolarHBondContact O-N 3.21Å; H238-Q241 VanDerWaalsContact O-N 3.13Å; L239-Q241 VanDerWaalsContact C-N 3.3Å; L239-Q241 PolarHBondContact O-N 3.39Å; Q241-L245 PolarHBondContact O-N 3.41Å
242T54.8Low58.3Low68 Ų68117.4 Ų117.442%0.41761%0.611SS.*Hα-helixtrans-65.7-50.5170.7-42.70000111.2H238 L239 T244 L245 E246H238-T242 PolarHBondContact O-N 3.27Å; H238-T242 PolarHBondContact O-OG1 3.23Å; H238-T242 VanDerWaalsContact O-OG1 3.12Å; L239-T242 PolarHBondContact O-N 3.45Å; T242-T244 PolarHBondContact O-N 3.49Å; T242-L245 WeakPolarHBondContact O-CA 3.39Å; T242-L245 WeakPolarHBondContact O-CB 3.3Å; T242-L245 PolarHBondContact O-N 3.39Å; T242-E246 PolarHBondContact O-N 2.96Å
243Q53.9Low56.2Low119 Ų119121.9 Ų121.956%0.55663%0.629SS**Hα-helixtrans-61.3-31.9-179-72.9178.3-12.300113.2L239 L245 G247L239-Q243 WeakPolarHBondContact O-CG 3.25Å; L239-Q243 PolarHBondContact O-N 3.5Å; Q243-L245 VanDerWaalsContact C-N 3.3Å; Q243-G247 PolarHBondContact O-N 2.92Å
244T49.8Very low54.4Low109 Ų109122.7 Ų122.767%0.66964%0.64SS**Hα-helixtrans-75.3-19.7175.9-54.60000112.5G240 T242G240-T244 WeakPolarHBondContact O-CB 3.27Å; G240-T244 PolarHBondContact O-N 2.92Å; G240-T244 PolarHBondContact O-OG1 3.14Å; T242-T244 PolarHBondContact O-N 3.49Å
245L51.1Low51.8Low139 Ų139119.3 Ų119.373%0.72864%0.643SS**Hα-helixtrans-83.5-42.5173.4-164.174000111.2Q241 T242 Q243Q241-L245 PolarHBondContact O-N 3.41Å; T242-L245 WeakPolarHBondContact O-CA 3.39Å; T242-L245 WeakPolarHBondContact O-CB 3.3Å; T242-L245 PolarHBondContact O-N 3.39Å; Q243-L245 VanDerWaalsContact C-N 3.3Å
246E49.3Very low49.3Very low116 Ų116123.4 Ų123.454%0.54267%0.665SS.*Hα-helixtrans-68.8-44.8178.5-67.1167.7141.600111.3T242 L248 S249T242-E246 PolarHBondContact O-N 2.96Å; E246-L248 PolarHBondContact O-N 3.21Å; E246-S249 PolarHBondContact O-N 3.37Å
247G45.5Very low47.1Very low66 Ų66123.9 Ų123.968%0.6867%0.673SS**THydrogen-bonded Turntrans-67.16.4178.600000116.1Q243Q243-G247 PolarHBondContact O-N 2.92Å
248L42.1Very low45Very low161 Ų161121.6 Ų121.684%0.84368%0.681SS**THydrogen-bonded Turntrans-108.22.3170.9-144.778.9000113.1E246E246-L248 PolarHBondContact O-N 3.21Å
249S39.3Very low42.9Very low101 Ų101123.4 Ų123.471%0.70669%0.694SS**SBendtrans-118.4-4-172.7-164.70000115.2E246E246-S249 PolarHBondContact O-N 3.37Å
250E40.6Very low41.2Very low185 Ų185126.9 Ų126.986%0.86471%0.707SS**  trans-115.868-177.8-67.3-164120.800113
251E36.3Very low39.7Very low194 Ų194131.8 Ų131.891%0.90773%0.731SS**  trans-139.744.6165.8-150.7-171.3142.800113.6
252Q29.4Very low39.2Very low193 Ų193130.1 Ų130.190%0.90273%0.733SS**  trans-152.6110.1162.3-154158.611.400116.2
253E36.4Very low38.1Very low171 Ų171132.8 Ų132.880%0.79975%0.749SS**  trans-151.4166.5161.2-111.4-126.195.200107.5A255E253-A255 PolarHBondContact OE1-N 2.63Å
254P42.5Very low37.9Very low109 Ų109132.2 Ų132.271%0.70876%0.756SS**  cis-131.7168.712.141-25000117.8
255A28.9Very low36.9Very low73 Ų73133.6 Ų133.660%0.60376%0.764SS**  trans23.3131.5150.900000122.4E253E253-A255 PolarHBondContact OE1-N 2.63Å
256N28.8Very low35.9Very low166 Ų166131.8 Ų131.889%0.88876%0.763SS**  -159164.1129.1-106.8-62.4000113.1
257T29.5Very low35.1Very low126 Ų126133.2 Ų133.277%0.77377%0.774SS**  trans-91.9152.9-155.754.20000118.1
258A31.2Very low34.6Very low98 Ų98137.4 Ų137.481%0.8178%0.776SS**  trans72.1157.2157.900000116.7
259D27.1Very low34.1Very low130 Ų130136.4 Ų136.470%0.69577%0.771SS**  cis-154171.39-1618.6000112.7
260Q29.3Very low33.8Very low169 Ų169139.2 Ų139.279%0.7978%0.777SS**  trans74.2141.9156.5-78.3159.360.400123.1
261T28Very low34Very low133 Ų133135.6 Ų135.682%0.81677%0.772SS**  trans-107.5-173.8-179.620.10000111
262P49.5Very low34.5Very low106 Ų106132.5 Ų132.569%0.68877%0.769SS**  cis-133.6-161-45.934.6-14.4000113
263T31.9Very low34.7Very low124 Ų124126 Ų12676%0.76175%0.754SS**  trans86.3161.5152.710.40000119.3
264P50.2Low34.4Very low108 Ų108123.9 Ų123.970%0.70176%0.758SS**  -133.7-137.4-97.348-30.1000114.5
265T28.3Very low34Very low137 Ų137126.6 Ų126.684%0.8477%0.765SS**  trans68.4136.2-175.823.70000114.5
266S30.7Very low34.5Very low102 Ų102131.4 Ų131.471%0.71378%0.775SS**  cis-152-178.8-1.759.40000109.3
267L32.7Very low35.1Very low145 Ų145132 Ų13276%0.75977%0.772SS**  cis-150.6-157.17.7-160.194.2000109.2
268E34.7Very low35.5Very low154 Ų154129.7 Ų129.772%0.7277%0.766SS**  trans-67.7157.5167.7-66.1132120.700111.8
269D31.8Very low35.6Very low140 Ų140133.8 Ų133.875%0.74977%0.769SS**  -155.4138.360.8-115.6-25.7000116.3
270L32.8Very low36.2Very low160 Ų160136.4 Ų136.484%0.83878%0.777SS**  trans32.7124.2144.8-59.9170.5000122.9
271S43.8Very low36.4Very low109 Ų109132.8 Ų132.876%0.76278%0.776SS**  trans-110.6143.1153.2176.40000109.6
272P48.3Very low37.3Very low130 Ų130135.1 Ų135.184%0.84478%0.777SS**  -144.7159.8113.838.1-24.8000113.8
273G32.7Very low37Very low56 Ų56136.1 Ų136.158%0.57778%0.784SS**  cis162.5172.1-3.300000111.6
274S29.2Very low37.4Very low126 Ų126137.4 Ų137.488%0.88179%0.786SS**  trans48.8120.1168.158.50000117.7
275I35.8Very low36.8Very low167 Ų167139.8 Ų139.886%0.85679%0.793SS**  -149.1144.168-144.7172.5000112.8
276E38Very low37.3Very low174 Ų174140.8 Ų140.881%0.81379%0.788SS**  trans-85.8179.4161.4-63.2164.4124.400107.5
277E41.5Very low37.3Very low177 Ų177143.5 Ų143.583%0.82779%0.787SS**  cis-167.9167.823.8-158.9174.7-179.700108.7
278A38Very low37.5Very low79 Ų79146.3 Ų146.365%0.65379%0.793SS**  trans65.2139.4165.600000117.8
279E34.1Very low37.7Very low184 Ų184145.3 Ų145.386%0.8679%0.793SS**  cis66.7144.240.5-59.4-177.2164.500113.3
280E38.9Very low37.9Very low184 Ų184143.6 Ų143.686%0.8680%0.798SS**  cis-166.7141.6-21.4173.2179.9-118.700105.9
281A34.3Very low37.9Very low93 Ų93142.4 Ų142.477%0.76979%0.791SS**  trans-177.1122.3161.800000113.2
282E46Very low37.4Very low183 Ų183145.5 Ų145.586%0.85579%0.794SS**  trans-81.2163.1146.2-64.8-175.4146.800109.5
283P44Very low36.8Very low126 Ų126148.7 Ų148.782%0.81880%0.798SS**  -143.4133.9126.234.7-20.7000114.9
284D40.4Very low36.7Very low152 Ų152150.8 Ų150.881%0.81380%0.803SS**  trans-89.4150.1149.4-86.5-34.8000109.8
285D36.8Very low36.7Very low157 Ų157150 Ų15084%0.8480%0.797SS**  trans151.898.5158.9-88.2-11.5000107.9
286E38.7Very low36.5Very low159 Ų159148.6 Ų148.674%0.74380%0.797SS**  82.6142.779.4-142.9-168.2-159.100115.4
287F31.2Very low36.2Very low158 Ų158145.3 Ų145.369%0.69380%0.799SS**  trans59.3113.7172.3-78.7-75.6000121.2
288K37Very low35.9Very low205 Ų205143.9 Ų143.989%0.89180%0.796SS**  -164.2127.2101-118.6177.4179.81750115.5
289D38.1Very low35.7Very low132 Ų132149.5 Ų149.571%0.70681%0.809SS**  trans-82.3159.6155.6-77-54.1000111.3
290A37Very low35.6Very low105 Ų105148.2 Ų148.287%0.86880%0.803SS**  trans-144.7124.8160.700000109.7
291I32Very low35.3Very low134 Ų134147 Ų14769%0.68780%0.803SS**  trans-124.4150.4-174.3-48.9176.2000108.8
292E33.8Very low35.2Very low175 Ų175150.1 Ų150.182%0.81881%0.806SS**  trans22.5120.4162.2-66.7174.1114.800121.4
293E34.5Very low34.5Very low197 Ų197148.9 Ų148.992%0.92181%0.806SS**  trans-148.5124.6133.5-103175.5-173.900106.2
294S32.1Very low33.9Very low100 Ų100146 Ų14670%0.69980%0.799SS**  cis94.9142.519.5-1570000115.5
295S28.3Very low34.3Very low108 Ų108144.5 Ų144.576%0.75580%0.798SS**  trans63.4118.6-169.470.20000115.3
296V31.2Very low34Very low139 Ų139145.9 Ų145.984%0.84280%0.804SS**  90.4111.550.1170.90000113.2
297A32Very low33.5Very low105 Ų105141.8 Ų141.887%0.86880%0.804SS**  trans-145.1141.3156.200000108.8
298L34.8Very low33.6Very low146 Ų146138.7 Ų138.776%0.76481%0.808SS**  trans-103148.8-175.8-71.7154.1000111.1
299Q35.5Very low34Very low198 Ų198134.4 Ų134.493%0.92580%0.801SS**  trans-157163.7133.6-116.6166.7100111.6
300E31.8Very low33.6Very low157 Ų157136.9 Ų136.973%0.73481%0.808SS**  trans-126.7165.6-155.2-63.3164.9119.700111.8
301D31.5Very low33.4Very low159 Ų159142.7 Ų142.785%0.8581%0.809SS**  trans64.1157169.2-52.7-27.7000116.4
302D32.1Very low33.4Very low158 Ų158143 Ų14385%0.84581%0.812SS**  cis-151.8-172.929-169.521000113.1
303D32Very low33.3Very low157 Ų157141 Ų14184%0.8481%0.812SS**  trans-62165.1-169.3-116.8-34.6000119.4
304G30.9Very low33.3Very low66 Ų66137 Ų13768%0.6880%0.801SS**  trans120125.1144.900000119.5
305P49.8Very low33.3Very low120 Ų120138.1 Ų138.178%0.77981%0.809SS**  trans-103.8151.6170.937.7-31.8000113.6
306L29.5Very low33.4Very low186 Ų186141 Ų14197%0.97481%0.811SS**  trans164164.9143-92.6162.6000111.4
307G27.9Very low33.4Very low73 Ų73142.6 Ų142.675%0.75381%0.814SS**  trans118.495.6159.400000116.7
308A34.6Very low34.1Very low93 Ų93141.1 Ų141.177%0.76981%0.81SS**  trans-90.815114600000108.4
309P43.5Very low34.2Very low114 Ų114143.9 Ų143.974%0.7482%0.816SS**  -128.9142.1111.237-30.1000110.5
310E30.1Very low34.5Very low185 Ų185140.9 Ų140.986%0.86481%0.805SS**  61.6102.360.2-69.7-170.4160.700113.7
311Y33.9Very low35.3Very low227 Ų227139.7 Ų139.789%0.8981%0.814SS**  trans-135.7130.3143.361.4-95.9000108.9
312D30.9Very low36.1Very low139 Ų139142.4 Ų142.474%0.74381%0.813SS**  trans-79.3151.8178.3-91.6-56.7000111.8
313T32.7Very low36.7Very low133 Ų133138.6 Ų138.682%0.81679%0.792SS**  -171.6109.9110.218.90000113.6
314V33.4Very low37.7Very low113 Ų113137.1 Ų137.169%0.68578%0.78SS**  trans23.5117.8135.7-172.20000118.5
315S31.9Very low38.5Very low125 Ų125137.5 Ų137.587%0.87477%0.771SS**  trans-145.7125.3132.3-80.70000109.4
316E31.4Very low38.5Very low169 Ų169136.5 Ų136.579%0.7976%0.758SS**  trans-78.7147-176.6-61.4-162.7111.200112.5
317N30.9Very low39.3Very low171 Ų171136.9 Ų136.991%0.91475%0.746SS**  trans-171.799.5130.1-97.1-48.2000109.1
318G46.4Very low40.4Very low75 Ų75136.3 Ų136.377%0.77373%0.731SS**  trans-83.1119.3-171.100000114.1
319F37.7Very low41Very low204 Ų204139.3 Ų139.390%0.89573%0.727SS**  trans-150.428.4167.6-133.6-86.1000116.8
320L41.2Very low41.2Very low135 Ų135137.5 Ų137.571%0.70771%0.713SS**  trans-129.626.5-178.2-74.9179.3000116.6R322L320-R322 PolarHBondContact O-N 2.87Å
321S49.6Very low42.3Very low131 Ų131131.6 Ų131.692%0.91669%0.692SS**THydrogen-bonded Turntrans-73.458.2176.2-163.40000113.6
322R47.2Very low42.9Very low217 Ų217128 Ų12882%0.81968%0.681SS**THydrogen-bonded Turntrans-150.9-5.8179.6-159.4161.1173.9133-2.7115.9L320L320-R322 PolarHBondContact O-N 2.87Å
323N45.2Very low43.5Very low78 Ų78126.4 Ų126.442%0.41767%0.672SS.*  trans-106.1-12.5-168.2-70.8-29000116.5P325 I326 R327N323-P325 VanDerWaalsContact C-CD 3.48Å; N323-I326 WeakPolarHBondContact O-CB 3.37Å; N323-I326 PolarHBondContact O-N 3.36Å; N323-R327 PolarHBondContact O-N 3.22Å
324E52.9Low44.3Very low126 Ų126123.7 Ų123.759%0.58966%0.656SS**Hα-helixtrans-41.5-51.9169.4-107.649.7-115.100115.8I326 R327 S328E324-I326 PolarHBondContact O-N 2.84Å; E324-R327 PolarHBondContact O-N 3.03Å; E324-S328 WeakPolarHBondContact O-CB 3.43Å; E324-S328 PolarHBondContact O-N 3.46Å; E324-S328 VanDerWaalsContact O-N 3.15Å; E324-S328 PolarHBondContact O-OG 2.95Å
325P48.4Very low45.1Very low74 Ų74123.3 Ų123.348%0.48165%0.646SS.*Hα-helixtrans-72.6-9.4-177.329.6-36.1000113.5N323 K329N323-P325 VanDerWaalsContact C-CD 3.48Å; P325-K329 WeakPolarHBondContact O-CD 3.4Å; P325-K329 WeakPolarHBondContact O-CG 3.37Å
326I49Very low45.7Very low99 Ų99126.5 Ų126.551%0.50864%0.639SS.*Hα-helixtrans-91.1-50.1173.2-54.9178.8000109N323 E324 S328 K329 V330N323-I326 WeakPolarHBondContact O-CB 3.37Å; N323-I326 PolarHBondContact O-N 3.36Å; E324-I326 PolarHBondContact O-N 2.84Å; I326-S328 VanDerWaalsContact C-N 3.28Å; I326-S328 PolarHBondContact O-N 2.75Å; I326-K329 PolarHBondContact O-N 3.32Å; I326-V330 HydrophobicContact CG2-CG2 4.29Å; I326-V330 WeakPolarHBondContact O-CG2 3.48Å; I326-V330 PolarHBondContact O-N 3.45Å
327R45.8Very low46.3Very low194 Ų194123.2 Ų123.273%0.73263%0.627SS**Hα-helixtrans-55.6-42.1-179.5-154.6175.7-165.1172.94.1112.2N323 E324 S331N323-R327 PolarHBondContact O-N 3.22Å; E324-R327 PolarHBondContact O-N 3.03Å; R327-S331 PolarHBondContact O-N 2.97Å; R327-S331 PolarHBondContact O-OG 3.36Å
328S51.7Low46.8Very low61 Ų61125.1 Ų125.143%0.42762%0.621SS.*Hα-helixtrans-72.4-24.6177.854.50000115.3E324 I326 S331E324-S328 WeakPolarHBondContact O-CB 3.43Å; E324-S328 PolarHBondContact O-N 3.46Å; E324-S328 VanDerWaalsContact O-N 3.15Å; E324-S328 PolarHBondContact O-OG 2.95Å; I326-S328 VanDerWaalsContact C-N 3.28Å; I326-S328 PolarHBondContact O-N 2.75Å; S328-S331 WeakPolarHBondContact CA-OG 3.28Å; S328-S331 PolarHBondContact O-OG 2.95Å
329K46.3Very low46.6Very low156 Ų156129 Ų12968%0.67862%0.616SS**Hα-helixtrans-84.7-36.6173.5-72.4179.9-175.7175.60111.5P325 I326 L333P325-K329 WeakPolarHBondContact O-CD 3.4Å; P325-K329 WeakPolarHBondContact O-CG 3.37Å; I326-K329 PolarHBondContact O-N 3.32Å; K329-L333 WeakPolarHBondContact O-CB 3.47Å; K329-L333 PolarHBondContact O-N 3.41Å; K329-L333 VanDerWaalsContact O-N 3.09Å
330V48.5Very low47Very low76 Ų76129.6 Ų129.646%0.46161%0.613SS.*Hα-helixtrans-62.4-43.6171.71740000110.5I326 L333 T334I326-V330 HydrophobicContact CG2-CG2 4.29Å; I326-V330 WeakPolarHBondContact O-CG2 3.48Å; I326-V330 PolarHBondContact O-N 3.45Å; V330-L333 CarbonylContact O-C 3.55Å; V330-L333 WeakPolarHBondContact O-CA 3.25Å; V330-L333 WeakPolarHBondContact O-CB 3.3Å; V330-L333 PolarHBondContact O-N 3.28Å; V330-L333 VanDerWaalsContact O-N 3.07Å; V330-T334 HydrophobicContact CG1-CG2 4.03Å; V330-T334 WeakPolarHBondContact O-CG2 3.37Å; V330-T334 PolarHBondContact O-N 3.48Å; V330-T334 PolarHBondContact O-OG1 3.47Å
331S52.5Low46.4Very low61 Ų61132.5 Ų132.543%0.42762%0.616SS.*Hα-helixtrans-63.7-42.6178.558.40000113.6R327 S328 L333 T334 E335R327-S331 PolarHBondContact O-N 2.97Å; R327-S331 PolarHBondContact O-OG 3.36Å; S328-S331 WeakPolarHBondContact CA-OG 3.28Å; S328-S331 PolarHBondContact O-OG 2.95Å; S331-L333 PolarHBondContact O-N 3.26Å; S331-T334 WeakPolarHBondContact CA-OG1 3.32Å; S331-T334 PolarHBondContact O-N 2.89Å; S331-T334 PolarHBondContact O-OG1 2.85Å; S331-E335 WeakPolarHBondContact O-CB 3.44Å; S331-E335 PolarHBondContact O-N 3.04Å
332K47.5Very low46Very low150 Ų150131.9 Ų131.965%0.65261%0.608SS**Hα-helixtrans-64.8-24.3171.9-83.9177.7175.8170.80113.5R336K332-R336 WeakPolarHBondContact O-CB 3.11Å; K332-R336 WeakPolarHBondContact O-CD 3.35Å; K332-R336 VanDerWaalsContact O-CG 3.26Å; K332-R336 WeakPolarHBondContact O-CG 3.18Å
333L42.7Very low45.8Very low106 Ų106125 Ų12556%0.55560%0.598SS**Hα-helixtrans-82-42.9174-171.863.1000111.8K329 V330 S331 R336 L337K329-L333 WeakPolarHBondContact O-CB 3.47Å; K329-L333 PolarHBondContact O-N 3.41Å; K329-L333 VanDerWaalsContact O-N 3.09Å; V330-L333 CarbonylContact O-C 3.55Å; V330-L333 WeakPolarHBondContact O-CA 3.25Å; V330-L333 WeakPolarHBondContact O-CB 3.3Å; V330-L333 PolarHBondContact O-N 3.28Å; V330-L333 VanDerWaalsContact O-N 3.07Å; S331-L333 PolarHBondContact O-N 3.26Å; L333-R336 CarbonylContact O-C 3.6Å; L333-R336 PolarHBondContact O-N 3.03Å; L333-L337 HydrophobicContact CG-CD1 4.04Å; L333-L337 WeakPolarHBondContact O-CB 3.29Å; L333-L337 WeakPolarHBondContact O-CG 3.08Å; L333-L337 PolarHBondContact O-N 3.07Å
334T49Very low45.6Very low77 Ų77126.9 Ų126.947%0.47261%0.612SS.*Hα-helixtrans-69.8-32.517856.80000112.2V330 S331 L337 R338V330-T334 HydrophobicContact CG1-CG2 4.03Å; V330-T334 WeakPolarHBondContact O-CG2 3.37Å; V330-T334 PolarHBondContact O-N 3.48Å; V330-T334 PolarHBondContact O-OG1 3.47Å; S331-T334 WeakPolarHBondContact CA-OG1 3.32Å; S331-T334 PolarHBondContact O-N 2.89Å; S331-T334 PolarHBondContact O-OG1 2.85Å; T334-L337 PolarHBondContact O-N 2.85Å; T334-R338 VanDerWaalsContact O-CB 3.23Å; T334-R338 WeakPolarHBondContact O-CB 3.42Å; T334-R338 PolarHBondContact O-N 3.25Å
335E50.3Low45.5Very low105 Ų105126.6 Ų126.649%0.49163%0.625SS.*Hα-helixtrans-65.6-41.4170.8-160.5-148.7132.500111.5S331 L337 R338 K339S331-E335 WeakPolarHBondContact O-CB 3.44Å; S331-E335 PolarHBondContact O-N 3.04Å; E335-L337 VanDerWaalsContact C-N 3.35Å; E335-R338 PolarHBondContact O-N 3.26Å; E335-K339 PolarHBondContact O-N 3.39Å; E335-K339 VanDerWaalsContact O-N 3.08Å; E335-K339 IonicContact OE1-NZ 2.6Å; E335-K339 PolarHBondContact OE1-NZ 3.3Å
336R46.3Very low45.9Very low191 Ų191131.6 Ų131.672%0.72164%0.644SS**Hα-helixtrans-69.2-29.3175.4-74.9177.6174.7-166.3-3.2113.1K332 L333K332-R336 WeakPolarHBondContact O-CB 3.11Å; K332-R336 WeakPolarHBondContact O-CD 3.35Å; K332-R336 VanDerWaalsContact O-CG 3.26Å; K332-R336 WeakPolarHBondContact O-CG 3.18Å; L333-R336 CarbonylContact O-C 3.6Å; L333-R336 PolarHBondContact O-N 3.03Å
337L42.1Very low47Very low100 Ų100128 Ų12852%0.52463%0.632SS.*Hα-helixtrans-78.8-36.2172.2-73.3167.5000112.3L333 T334 E335 K339 R340L333-L337 HydrophobicContact CG-CD1 4.04Å; L333-L337 WeakPolarHBondContact O-CB 3.29Å; L333-L337 WeakPolarHBondContact O-CG 3.08Å; L333-L337 PolarHBondContact O-N 3.07Å; T334-L337 PolarHBondContact O-N 2.85Å; E335-L337 VanDerWaalsContact C-N 3.35Å; L337-K339 PolarHBondContact O-N 3.28Å; L337-R340 WeakPolarHBondContact O-CA 3.44Å; L337-R340 WeakPolarHBondContact O-CB 3.45Å; L337-R340 PolarHBondContact O-N 3.19Å
338R42.8Very low49Very low212 Ų212122.4 Ų122.480%0.862%0.616SS**Hα-helixtrans-62-30.4172.4-165.3172.9-177109.7-3.9111.3T334 E335 R340 Y341T334-R338 VanDerWaalsContact O-CB 3.23Å; T334-R338 WeakPolarHBondContact O-CB 3.42Å; T334-R338 PolarHBondContact O-N 3.25Å; E335-R338 PolarHBondContact O-N 3.26Å; R338-R340 PolarHBondContact O-N 3.07Å; R338-Y341 PolarHBondContact O-N 3.09Å
339K42.7Very low50.8Low155 Ų155119.6 Ų119.667%0.67460%0.597SS**THydrogen-bonded Turntrans-69.8-2.6167.6-86.2168.8176.7147.20115.6E335 L337E335-K339 PolarHBondContact O-N 3.39Å; E335-K339 VanDerWaalsContact O-N 3.08Å; E335-K339 IonicContact OE1-NZ 2.6Å; E335-K339 PolarHBondContact OE1-NZ 3.3Å; L337-K339 PolarHBondContact O-N 3.28Å
340R44.4Very low52.9Low217 Ų217115.6 Ų115.682%0.81959%0.588SS**THydrogen-bonded Turntrans-102.5-2168.1-68.5-162.2-177.7-162.63.8114.2L337 R338L337-R340 WeakPolarHBondContact O-CA 3.44Å; L337-R340 WeakPolarHBondContact O-CB 3.45Å; L337-R340 PolarHBondContact O-N 3.19Å; R338-R340 PolarHBondContact O-N 3.07Å
341Y30.3Very low54.8Low197 Ų197115.7 Ų115.777%0.77359%0.592SS**SBendtrans-74.2126.9166-128.4-97.7000108.9R338 A343R338-Y341 PolarHBondContact O-N 3.09Å; Y341-A343 VanDerWaalsContact C-N 3.27Å; Y341-A343 PolarHBondContact O-N 2.88Å
342P40.5Very low56.7Low117 Ų117115.3 Ų115.376%0.7659%0.589SS**  trans-7484.9175.630.5-33.3000109.2T344P342-T344 PolarHBondContact O-N 2.9Å; P342-T344 VanDerWaalsContact O-N 3.09Å
343A42Very low58.6Low73 Ų73112.8 Ų112.860%0.60359%0.59SS**  trans-57.2116174.600000110.3Y341Y341-A343 VanDerWaalsContact C-N 3.27Å; Y341-A343 PolarHBondContact O-N 2.88Å
344T41.8Very low60.6Low117 Ų117108.7 Ų108.772%0.71857%0.572SS**  trans40.6141.215744.70000120P342 M346P342-T344 PolarHBondContact O-N 2.9Å; P342-T344 VanDerWaalsContact O-N 3.09Å; T344-M346 PolarHBondContact O-N 3.31Å
345S50.1Low62.4Low121 Ų121109.6 Ų109.685%0.84658%0.577SS**SBendtrans-74.37.9-168.438.40000116.1
346M57.3Low64Low178 Ų178106.5 Ų106.588%0.87756%0.562SS**  trans-123.990.1175.2-65.3-164-61.100111.1T344T344-M346 PolarHBondContact O-N 3.31Å
347G72.4Confident65.6Low25 Ų25100.7 Ų100.726%0.25855%0.551SS.*  trans-128144.2171.500000110.5F356G347-F356 WeakPolarHBondContact O-CD2 3.43Å; G347-F356 WeakPolarHBondContact O-CE2 3.36Å
348N87.3Confident67.1Low76 Ų76103.1 Ų103.141%0.40657%0.569SS.*BIsolated β-bridgetrans-95.1166172.6-6910.9000110.6S350 S353N348-S350 PolarHBondContact O-N 2.9Å; N348-S353 WeakPolarHBondContact CB-O 3.38Å; N348-S353 PolarHBondContact ND2-O 2.89Å
349C90.1Very high68.6Low2 Ų2101.2 Ų101.21%0.01457%0.574CS.*  trans-61116.2175.8178.90000111.6S351 C352 S353 A354 F356 C373 C376C349-S351 PolarHBondContact O-N 2.91Å; C349-C352 PolarHBondContact O-N 3.39Å; C349-C352 VanDerWaalsContact O-N 3.17Å; C349-C352 PolarHBondContact SG-SG 2.9Å; C349-S353 WeakPolarHBondContact O-CA 3.45Å; C349-S353 PolarHBondContact O-N 3.39Å; C349-A354 PolarHBondContact N-O 3.36Å; C349-F356 HydrophobicContact CB-CE1 4.14Å; C349-F356 HydrophobicContact CB-CZ 4.19Å; C349-C373 HydrophobicContact CB-CB 4.33Å; C349-C373 PolarHBondContact SG-N 3.41Å; C349-C376 VanDerWaalsContact SG-SG 3.68Å
350S89.9Confident70.4Confident72 Ų7297.5 Ų97.550%0.50356%0.558SS.*THydrogen-bonded Turntrans-65.914.5-175.9-46.30000116N348 S371N348-S350 PolarHBondContact O-N 2.9Å; S350-S371 PolarHBondContact N-O 3.44Å; S350-S371 PolarHBondContact OG-O 3.09Å; S350-S371 VanDerWaalsContact OG-O 3.08Å
351S89.9Confident72.2Confident77 Ų7795.1 Ų95.154%0.53855%0.553SS.*THydrogen-bonded Turntrans-136.1-17.8176.4152.30000113.9C349C349-S351 PolarHBondContact O-N 2.91Å
352C90.6Very high74.8Confident54 Ų5490.3 Ų90.337%0.36553%0.534SS..THydrogen-bonded Turntrans-143.720.4-178.570.30000113.3C349 A354 C376C349-C352 PolarHBondContact O-N 3.39Å; C349-C352 VanDerWaalsContact O-N 3.17Å; C349-C352 PolarHBondContact SG-SG 2.9Å; C352-A354 PolarHBondContact O-N 2.87Å; C352-C376 PolarHBondContact SG-SG 3.28Å
353S87.3Confident77.1Confident96 Ų9689.2 Ų89.267%0.67152%0.515SS*.  trans46.59.5177.459.20000117.4N348 C349N348-S353 WeakPolarHBondContact CB-O 3.38Å; N348-S353 PolarHBondContact ND2-O 2.89Å; C349-S353 WeakPolarHBondContact O-CA 3.45Å; C349-S353 PolarHBondContact O-N 3.39Å
354A86.6Confident79.4Confident21 Ų2190.1 Ų90.117%0.17451%0.509CS..PPolyproline II helixtrans-74.4130.8-177.700000112.3C349 C352 K360C349-A354 PolarHBondContact N-O 3.36Å; C352-A354 PolarHBondContact O-N 2.87Å; A354-K360 HydrophobicContact CB-CD 4.29Å
355V85.3Confident81.8Confident96 Ų9684.6 Ų84.658%0.58248%0.476SS*.BIsolated β-bridgetrans-56.2140.8171.4-172.70000110.5
356F85.1Confident83.7Confident40 Ų4082 Ų8218%0.17546%0.457CS..PPolyproline II helixtrans-82.4139.2170-59.9-54.2000110.5G347 C349 K360 R362 C373G347-F356 WeakPolarHBondContact O-CD2 3.43Å; G347-F356 WeakPolarHBondContact O-CE2 3.36Å; C349-F356 HydrophobicContact CB-CE1 4.14Å; C349-F356 HydrophobicContact CB-CZ 4.19Å; F356-K360 WeakPolarHBondContact CD1-O 3.36Å; F356-R362 HydrophobicContact CD1-CB 4.02Å; F356-R362 HydrophobicContact CD2-CB 3.88Å; F356-R362 HydrophobicContact CD2-CG 3.8Å; F356-R362 HydrophobicContact CE1-CB 4.16Å; F356-R362 HydrophobicContact CE1-CG 4.3Å; F356-R362 HydrophobicContact CE2-CB 4.06Å; F356-R362 HydrophobicContact CE2-CG 3.55Å; F356-R362 HydrophobicContact CG-CB 3.89Å; F356-R362 HydrophobicContact CG-CG 4.32Å; F356-R362 HydrophobicContact CZ-CB 4.19Å; F356-R362 HydrophobicContact CZ-CG 3.82Å; F356-C373 HydrophobicContact CE1-CB 4.17Å
357S79.2Confident85.2Confident69 Ų6976.8 Ų76.848%0.48343%0.433SS..  trans-142177178.870.30000110L359 K360S357-L359 PolarHBondContact O-N 3.48Å; S357-K360 CarbonylContact O-C 3.59Å; S357-K360 VanDerWaalsContact O-C 3.3Å; S357-K360 PolarHBondContact O-N 3.29Å; S357-K360 PolarHBondContact OG-N 3.32Å
358V73Confident85.9Confident151 Ų15178.1 Ų78.192%0.91544%0.438SS*.THydrogen-bonded Turntrans-51.6-39.4176.1-175.70000111.7
359L75.6Confident85.9Confident172 Ų17276.7 Ų76.790%0.90144%0.441SS*.THydrogen-bonded Turntrans-78.7-24.2176.4-62.6175.1000113.6S357S357-L359 PolarHBondContact O-N 3.48Å
360K80.1Confident85.9Confident77 Ų7780.9 Ų80.934%0.33546%0.463SS..SBendtrans-116.265.8-171.3-158.9164.8-171.1166.50111.6A354 F356 S357 R362 C373A354-K360 HydrophobicContact CB-CD 4.29Å; F356-K360 WeakPolarHBondContact CD1-O 3.36Å; S357-K360 CarbonylContact O-C 3.59Å; S357-K360 VanDerWaalsContact O-C 3.3Å; S357-K360 PolarHBondContact O-N 3.29Å; S357-K360 PolarHBondContact OG-N 3.32Å; K360-R362 PolarHBondContact O-N 2.94Å; K360-C373 HydrophobicContact CG-CB 4.12Å
361K82.3Confident85.9Confident167 Ų16778 Ų7873%0.72644%0.442SS*.  trans-51.8128.5-178.6-173.7168.7-176.2171.20113.1
362R85.1Confident86Confident96 Ų9674.7 Ų74.736%0.36242%0.419SS..EExtended strand (participates in β ladder)trans-64.2136.5171.6-173.5171.3-176.7170.70.9110.6F356 K360 S371F356-R362 HydrophobicContact CD1-CB 4.02Å; F356-R362 HydrophobicContact CD2-CB 3.88Å; F356-R362 HydrophobicContact CD2-CG 3.8Å; F356-R362 HydrophobicContact CE1-CB 4.16Å; F356-R362 HydrophobicContact CE1-CG 4.3Å; F356-R362 HydrophobicContact CE2-CB 4.06Å; F356-R362 HydrophobicContact CE2-CG 3.55Å; F356-R362 HydrophobicContact CG-CB 3.89Å; F356-R362 HydrophobicContact CG-CG 4.32Å; F356-R362 HydrophobicContact CZ-CB 4.19Å; F356-R362 HydrophobicContact CZ-CG 3.82Å; K360-R362 PolarHBondContact O-N 2.94Å; R362-S371 PolarHBondContact NE-OG 3.33Å; R362-S371 PolarHBondContact NH2-OG 2.93Å
363R89.3Confident86.1Confident94 Ų9472.2 Ų72.236%0.35540%0.402SS..EExtended strand (participates in β ladder)trans-125.8154.7167.5-66.1-175.3-179.3162.4-0.2108.6S371 F372 S374 C377R363-S371 CarbonylContact O-C 3.56Å; R363-S371 WeakPolarHBondContact O-CA 3.46Å; R363-F372 PolarHBondContact N-O 3.04Å; R363-F372 PolarHBondContact O-N 3.3Å; R363-F372 VanDerWaalsContact O-O 3.11Å; R363-S374 PolarHBondContact NH1-O 2.84Å; R363-C377 HydrophobicContact CB-CB 4.22Å; R363-C377 WeakPolarHBondContact CD-O 3.47Å; R363-C377 PolarHBondContact NH1-O 2.91Å
364N90.2Very high86.2Confident91 Ų9170 Ų7049%0.48739%0.387SS..EExtended strand (participates in β ladder)trans-107.2146.1171.6-67.970.9000109.6G369 N370 S371N364-G369 PolarHBondContact ND2-O 3.29Å; N364-N370 WeakPolarHBondContact CA-O 3.48Å; N364-S371 PolarHBondContact ND2-OG 3.25Å
365C91.9Very high86.4Confident2 Ų279.4 Ų79.41%0.01442%0.417CS..  trans-79.6124.7171.2174.60000109.4N367 C368 G369 N370 F372 C401C365-N367 PolarHBondContact O-N 3.38Å; C365-C368 VanDerWaalsContact CB-SG 3.56Å; C365-G369 WeakPolarHBondContact O-CA 3.49Å; C365-G369 PolarHBondContact O-N 2.88Å; C365-N370 PolarHBondContact N-O 3.26Å; C365-F372 HydrophobicContact CB-CD2 3.84Å; C365-F372 HydrophobicContact CB-CE2 3.58Å; C365-C401 HydrophobicContact CB-CB 4.19Å; C365-C401 PolarHBondContact SG-N 2.87Å
366S89.8Confident86.7Confident66 Ų6675.7 Ų75.746%0.46240%0.396SS..THydrogen-bonded Turntrans-65.5-20.4-178.9-640000114.4F399S366-F399 WeakPolarHBondContact CB-O 3.42Å; S366-F399 PolarHBondContact N-O 2.93Å; S366-F399 PolarHBondContact OG-O 2.92Å
367N88.3Confident87Confident69 Ų6973.8 Ų73.837%0.36939%0.387SS..THydrogen-bonded Turntrans-85.4-52.1177-169.319.4000112.5C365 M386 V400 C404 L408C365-N367 PolarHBondContact O-N 3.38Å; N367-M386 HydrophobicContact CB-CE 4.15Å; N367-V400 HydrophobicContact CB-CG1 4.07Å; N367-C404 HydrophobicContact CB-CB 4.05Å; N367-L408 HydrophobicContact CB-CD1 4.18Å
368C88.1Confident87.5Confident53 Ų5373.5 Ų73.536%0.35839%0.385SS..THydrogen-bonded Turntrans-105.10.3-172.568.10000115.6C365 N370 C404C365-C368 VanDerWaalsContact CB-SG 3.56Å; C368-N370 PolarHBondContact O-N 3.4Å; C368-C404 VanDerWaalsContact SG-SG 3.63Å
369G87.4Confident88.4Confident45 Ų4567.6 Ų67.646%0.46435%0.351SS..  trans72.8-26.9178.800000115.8N364 C365N364-G369 PolarHBondContact ND2-O 3.29Å; C365-G369 WeakPolarHBondContact O-CA 3.49Å; C365-G369 PolarHBondContact O-N 2.88Å
370N89Confident89.2Confident90 Ų9065.1 Ų65.148%0.48133%0.333SS..  trans-56.6157.6-176.5-71.4-10.5000113.8N364 C365 C368 F372N364-N370 WeakPolarHBondContact CA-O 3.48Å; C365-N370 PolarHBondContact N-O 3.26Å; C368-N370 PolarHBondContact O-N 3.4Å; N370-F372 HydrophobicContact CB-CE2 3.62Å; N370-F372 HydrophobicContact CB-CZ 3.87Å; N370-F372 WeakPolarHBondContact O-CD2 3.33Å; N370-F372 VanDerWaalsContact O-CE2 3.3Å; N370-F372 WeakPolarHBondContact O-CE2 3.33Å
371S90.6Very high89.6Confident11 Ų1161.9 Ų61.98%0.07732%0.319CS..EExtended strand (participates in β ladder)trans-100.1129.9-170.5-66.80000112.9S350 R362 R363 N364S350-S371 PolarHBondContact N-O 3.44Å; S350-S371 PolarHBondContact OG-O 3.09Å; S350-S371 VanDerWaalsContact OG-O 3.08Å; R362-S371 PolarHBondContact NE-OG 3.33Å; R362-S371 PolarHBondContact NH2-OG 2.93Å; R363-S371 CarbonylContact O-C 3.56Å; R363-S371 WeakPolarHBondContact O-CA 3.46Å; N364-S371 PolarHBondContact ND2-OG 3.25Å
372F91.9Very high89.8Confident9 Ų955.8 Ų55.84%0.03930%0.297CS..EExtended strand (participates in β ladder)trans-137.1157.1-171.7-63.1-79.6000111.4R363 C365 N370 C376 C377 C401R363-F372 PolarHBondContact N-O 3.04Å; R363-F372 PolarHBondContact O-N 3.3Å; R363-F372 VanDerWaalsContact O-O 3.11Å; C365-F372 HydrophobicContact CB-CD2 3.84Å; C365-F372 HydrophobicContact CB-CE2 3.58Å; N370-F372 HydrophobicContact CB-CE2 3.62Å; N370-F372 HydrophobicContact CB-CZ 3.87Å; N370-F372 WeakPolarHBondContact O-CD2 3.33Å; N370-F372 VanDerWaalsContact O-CE2 3.3Å; N370-F372 WeakPolarHBondContact O-CE2 3.33Å; F372-C376 HydrophobicContact CB-CB 4.07Å; F372-C376 HydrophobicContact CD1-CB 4.03Å; F372-C376 HydrophobicContact CG-CB 4.46Å; F372-C377 HydrophobicContact CB-CB 3.62Å; F372-C377 HydrophobicContact CD2-CB 4.43Å; F372-C377 HydrophobicContact CG-CB 4.27Å; F372-C401 HydrophobicContact CD1-CB 4.02Å; F372-C401 HydrophobicContact CD2-CB 3.75Å; F372-C401 HydrophobicContact CE1-CB 3.82Å; F372-C401 HydrophobicContact CE2-CB 3.54Å; F372-C401 HydrophobicContact CG-CB 3.99Å; F372-C401 HydrophobicContact CZ-CB 3.58Å; F372-C401 VanDerWaalsContact CZ-SG 3.6Å
373C91.8Very high89.7Confident2 Ų256.4 Ų56.41%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-78.9167.1169.274.20000111.2C349 F356 K360 R375 C376 C377C349-C373 HydrophobicContact CB-CB 4.33Å; C349-C373 PolarHBondContact SG-N 3.41Å; F356-C373 HydrophobicContact CE1-CB 4.17Å; K360-C373 HydrophobicContact CG-CB 4.12Å; C373-R375 PolarHBondContact O-N 2.98Å; C373-R375 VanDerWaalsContact O-N 3.09Å; C373-C376 PolarHBondContact O-N 3.49Å; C373-C376 VanDerWaalsContact O-N 3.09Å; C373-C377 PolarHBondContact O-N 3.42Å
374S89.6Confident89.3Confident50 Ų5054 Ų5435%0.3530%0.297SS..THydrogen-bonded Turntrans-55-25.9-179.754.90000115.5R363R363-S374 PolarHBondContact NH1-O 2.84Å
375R90.1Very high88.8Confident217 Ų21753.9 Ų53.982%0.81929%0.292SS*.THydrogen-bonded Turntrans-79.5-44.7174.8-62.7-173.1-178.1-175.10.4112.1C373 S378C373-R375 PolarHBondContact O-N 2.98Å; C373-R375 VanDerWaalsContact O-N 3.09Å; R375-S378 WeakPolarHBondContact O-CB 3.3Å; R375-S378 PolarHBondContact O-OG 2.85Å
376C91.4Very high88.2Confident19 Ų1956.8 Ų56.813%0.12831%0.306CS..THydrogen-bonded Turntrans-76.4-23.1-177-64.40000114.2C349 C352 F372 C373 C401 A402C349-C376 VanDerWaalsContact SG-SG 3.68Å; C352-C376 PolarHBondContact SG-SG 3.28Å; F372-C376 HydrophobicContact CB-CB 4.07Å; F372-C376 HydrophobicContact CD1-CB 4.03Å; F372-C376 HydrophobicContact CG-CB 4.46Å; C373-C376 PolarHBondContact O-N 3.49Å; C373-C376 VanDerWaalsContact O-N 3.09Å; C376-C401 VanDerWaalsContact O-CA 3.23Å; C376-C401 WeakPolarHBondContact O-CA 3.16Å; C376-A402 PolarHBondContact O-N 3.41Å
377C92.9Very high87.4Confident0 Ų056.7 Ų56.70%032%0.316CS..EExtended strand (participates in β ladder)trans-120.681.7170.5-174.70000108.9R363 F372 C373 V400R363-C377 HydrophobicContact CB-CB 4.22Å; R363-C377 WeakPolarHBondContact CD-O 3.47Å; R363-C377 PolarHBondContact NH1-O 2.91Å; F372-C377 HydrophobicContact CB-CB 3.62Å; F372-C377 HydrophobicContact CD2-CB 4.43Å; F372-C377 HydrophobicContact CG-CB 4.27Å; C373-C377 PolarHBondContact O-N 3.42Å; C377-V400 VanDerWaalsContact SG-C 3.59Å
378S89.8Confident86.7Confident63 Ų6355.3 Ų55.344%0.44131%0.314SS..EExtended strand (participates in β ladder)trans-127.9-29.7-173.250.20000112.4R375 F399R375-S378 WeakPolarHBondContact O-CB 3.3Å; R375-S378 PolarHBondContact O-OG 2.85Å; S378-F399 WeakPolarHBondContact O-CD1 3.25Å; S378-F399 WeakPolarHBondContact O-CE1 3.49Å
379S91.9Very high86.1Confident27 Ų2759.5 Ų59.519%0.18934%0.338CS..EExtended strand (participates in β ladder)trans-63.7138.1174.3-53.70000112.1F399 V400 Y405S379-F399 WeakPolarHBondContact O-CA 3.42Å; S379-V400 PolarHBondContact O-N 3.32Å; S379-Y405 VanDerWaalsContact CB-CG 3.5Å
380K91.6Very high85.6Confident120 Ų12059.6 Ų59.652%0.52233%0.334SS..EExtended strand (participates in β ladder)trans-105.4144.3170.5-70-175.6176-172.10110.5V398 F399K380-V398 WeakPolarHBondContact CA-O 3.33Å; K380-F399 HydrophobicContact CD-CE1 4.33Å; K380-F399 HydrophobicContact CD-CZ 4.38Å; K380-F399 VanDerWaalsContact CE-CZ 3.42Å; K380-F399 HydrophobicContact CG-CD1 3.85Å; K380-F399 HydrophobicContact CG-CE1 3.62Å; K380-F399 HydrophobicContact CG-CG 4.49Å; K380-F399 HydrophobicContact CG-CZ 4.09Å
381V89.4Confident84.7Confident8 Ų859.2 Ų59.25%0.04834%0.337CS..EExtended strand (participates in β ladder)trans-134.4147.2167.2-63.60000109.8M386 T397 V398 V400 Y405 L408V381-M386 HydrophobicContact CG2-CE 3.64Å; V381-T397 CarbonylContact O-C 3.58Å; V381-T397 VanDerWaalsContact O-CA 3.32Å; V381-T397 WeakPolarHBondContact O-CA 3.12Å; V381-V398 HydrophobicContact CG2-CG2 4.14Å; V381-V398 PolarHBondContact N-O 2.92Å; V381-V398 PolarHBondContact O-N 3.29Å; V381-V400 HydrophobicContact CG1-CG2 3.91Å; V381-V400 HydrophobicContact CG2-CG1 3.87Å; V381-V400 HydrophobicContact CG2-CG2 4.05Å; V381-Y405 HydrophobicContact CG1-CD2 3.69Å; V381-Y405 HydrophobicContact CG1-CE2 4.11Å; V381-L408 HydrophobicContact CG2-CD1 4.19Å
382P86.3Confident83.8Confident39 Ų3964.6 Ų64.625%0.25336%0.361SS..EExtended strand (participates in β ladder)trans-58.1148.7165.6-23.934.2000111.9S384 F385 E396 T397P382-S384 PolarHBondContact O-N 2.99Å; P382-F385 HydrophobicContact CB-CD2 4.04Å; P382-F385 HydrophobicContact CB-CE2 4.29Å; P382-F385 HydrophobicContact CG-CD2 4.11Å; P382-F385 HydrophobicContact CG-CE2 3.95Å; P382-F385 PolarHBondContact O-N 2.93Å; P382-E396 CarbonylContact C-O 3.58Å; P382-E396 WeakPolarHBondContact CA-O 3.47Å; P382-T397 HydrophobicContact CG-CG2 4.38Å
383R83.3Confident82.7Confident110 Ų11064.5 Ų64.542%0.41536%0.362SS..G310 helixtrans-64.5-23.3177.7-99.3-177.3166179.9-7.1113.8F385 M386 A388 A393 E396 V398R383-F385 PolarHBondContact O-N 2.95Å; R383-M386 WeakPolarHBondContact O-CB 3.49Å; R383-M386 PolarHBondContact O-N 3.02Å; R383-A388 HydrophobicContact CB-CB 4.46Å; R383-A393 HydrophobicContact CB-CB 3.86Å; R383-A393 WeakPolarHBondContact CB-O 3.41Å; R383-A393 PolarHBondContact N-O 2.95Å; R383-A393 VanDerWaalsContact N-O 3.14Å; R383-E396 VanDerWaalsContact CD-OE2 3.28Å; R383-E396 WeakPolarHBondContact CD-OE2 3.28Å; R383-E396 IonicContact CZ-OE1 2.81Å; R383-E396 IonicContact CZ-OE2 2.68Å; R383-E396 PolarHBondContact N-O 3.23Å; R383-E396 IonicContact NE-OE1 3.54Å; R383-E396 PolarHBondContact NE-OE1 2.88Å; R383-E396 IonicContact NE-OE2 2.8Å; R383-E396 IonicContact NH1-OE1 3.79Å; R383-E396 PolarHBondContact NH1-OE1 3.42Å; R383-E396 IonicContact NH1-OE2 2.65Å; R383-E396 PolarHBondContact NH1-OE2 3.33Å; R383-E396 IonicContact NH2-OE1 2.79Å; R383-V398 HydrophobicContact CG-CG1 3.83Å; R383-V398 HydrophobicContact CG-CG2 4.03Å
384S79.4Confident81.5Confident44 Ų4471.1 Ų71.131%0.30839%0.392SS..G310 helixtrans-53.6-36.8174.954.10000113.4P382 M386 G387 A388 A393P382-S384 PolarHBondContact O-N 2.99Å; S384-M386 PolarHBondContact O-N 2.92Å; S384-M386 VanDerWaalsContact O-N 3.07Å; S384-G387 PolarHBondContact O-N 3.38Å; S384-A388 WeakPolarHBondContact CA-O 3.28Å; S384-A393 PolarHBondContact N-O 3.21Å
385F80.1Confident80.9Confident88 Ų8879.4 Ų79.439%0.38642%0.416SS..G310 helixtrans-63.6-11.8175.6-71.7-87.9000114.1P382 R383 L408P382-F385 HydrophobicContact CB-CD2 4.04Å; P382-F385 HydrophobicContact CB-CE2 4.29Å; P382-F385 HydrophobicContact CG-CD2 4.11Å; P382-F385 HydrophobicContact CG-CE2 3.95Å; P382-F385 PolarHBondContact O-N 2.93Å; R383-F385 PolarHBondContact O-N 2.95Å; F385-L408 WeakPolarHBondContact CD1-O 3.26Å; F385-L408 WeakPolarHBondContact CE1-O 3.19Å; F385-L408 WeakPolarHBondContact O-CD2 3.43Å
386M78.7Confident80.6Confident63 Ų6373.1 Ų73.131%0.3140%0.396SS..G310 helixtrans-99.616.1175-56.9-176.8-172.900112.5N367 V381 R383 S384 V398 V400 L408N367-M386 HydrophobicContact CB-CE 4.15Å; V381-M386 HydrophobicContact CG2-CE 3.64Å; R383-M386 WeakPolarHBondContact O-CB 3.49Å; R383-M386 PolarHBondContact O-N 3.02Å; S384-M386 PolarHBondContact O-N 2.92Å; S384-M386 VanDerWaalsContact O-N 3.07Å; M386-V398 HydrophobicContact CE-CG2 3.45Å; M386-V398 VanDerWaalsContact CE-CG2 3.45Å; M386-V398 HydrophobicContact SD-CG2 3.99Å; M386-V400 HydrophobicContact CE-CG1 3.46Å; M386-V400 VanDerWaalsContact CE-CG1 3.46Å; M386-L408 HydrophobicContact CE-CD1 4.14Å
387G73.6Confident80.5Confident64 Ų6475.5 Ų75.566%0.6641%0.41SS*.THydrogen-bonded Turntrans83.211.6179.300000114.8S384 T389S384-G387 PolarHBondContact O-N 3.38Å; G387-T389 PolarHBondContact O-N 3.03Å
388A74.3Confident80.3Confident40 Ų4076.3 Ų76.333%0.33142%0.415SS..  trans-82.2113.5177.300000111.1R383 S384 A393R383-A388 HydrophobicContact CB-CB 4.46Å; S384-A388 WeakPolarHBondContact CA-O 3.28Å; A388-A393 HydrophobicContact CB-CB 3.57Å
389T74.6Confident80.5Confident140 Ų14077.1 Ų77.186%0.85941%0.411SS*.  trans-90.8-7.2-173.550.60000115.2G387G387-T389 PolarHBondContact O-N 3.03Å
390A77.8Confident80.6Confident47 Ų4775.9 Ų75.939%0.38840%0.402SS..SBendtrans-64.9142.5177.200000111.7E392 A393A390-E392 PolarHBondContact O-N 2.99Å; A390-A393 VanDerWaalsContact O-CB 3.29Å; A390-A393 WeakPolarHBondContact O-CB 3.23Å; A390-A393 PolarHBondContact O-N 3.47Å
391P70.3Confident80.6Confident83 Ų8370.4 Ų70.454%0.53938%0.379SS..G310 helixtrans-61.9-28.2-178.422.3-30000113.2A393 Q394P391-A393 VanDerWaalsContact C-N 3.28Å; P391-A393 PolarHBondContact O-N 2.92Å; P391-Q394 WeakPolarHBondContact O-CB 3.49Å; P391-Q394 PolarHBondContact O-N 3.49Å
392E71Confident80.6Confident124 Ų12472.5 Ų72.558%0.57940%0.397SS*.G310 helixtrans-63.9-33.5173.8-64.364.5-138.200111.8A390 Q394 R395 E396A390-E392 PolarHBondContact O-N 2.99Å; E392-Q394 PolarHBondContact O-N 3.13Å; E392-R395 PolarHBondContact O-N 3.03Å; E392-E396 PolarHBondContact O-N 3.12Å
393A69.9Low80.8Confident7 Ų774.3 Ų74.36%0.05842%0.415CS..G310 helixtrans-70.4-13.7-17900000113.6R383 S384 A388 A390 P391R383-A393 HydrophobicContact CB-CB 3.86Å; R383-A393 WeakPolarHBondContact CB-O 3.41Å; R383-A393 PolarHBondContact N-O 2.95Å; R383-A393 VanDerWaalsContact N-O 3.14Å; S384-A393 PolarHBondContact N-O 3.21Å; A388-A393 HydrophobicContact CB-CB 3.57Å; A390-A393 VanDerWaalsContact O-CB 3.29Å; A390-A393 WeakPolarHBondContact O-CB 3.23Å; A390-A393 PolarHBondContact O-N 3.47Å; P391-A393 VanDerWaalsContact C-N 3.28Å; P391-A393 PolarHBondContact O-N 2.92Å
394Q66.4Low81.2Confident140 Ų14069.9 Ų69.965%0.65440%0.4SS*.G310 helixtrans-77.3-24.4168.8-57.3-175.40.300112.2P391 E392P391-Q394 WeakPolarHBondContact O-CB 3.49Å; P391-Q394 PolarHBondContact O-N 3.49Å; E392-Q394 PolarHBondContact O-N 3.13Å
395R76.9Confident81.8Confident225 Ų22571.5 Ų71.585%0.84940%0.401SS*.THydrogen-bonded Turntrans-96.1-33.7-178.8-59.7-178.3179.7-177.60112.6E392 T397E392-R395 PolarHBondContact O-N 3.03Å; R395-T397 PolarHBondContact O-N 3.34Å
396E83.4Confident82.2Confident84 Ų8470.7 Ų70.739%0.39341%0.405SS..  trans-75.3123.3178.8-165.4-174.2163.100111.6P382 R383 E392P382-E396 CarbonylContact C-O 3.58Å; P382-E396 WeakPolarHBondContact CA-O 3.47Å; R383-E396 VanDerWaalsContact CD-OE2 3.28Å; R383-E396 WeakPolarHBondContact CD-OE2 3.28Å; R383-E396 IonicContact CZ-OE1 2.81Å; R383-E396 IonicContact CZ-OE2 2.68Å; R383-E396 PolarHBondContact N-O 3.23Å; R383-E396 IonicContact NE-OE1 3.54Å; R383-E396 PolarHBondContact NE-OE1 2.88Å; R383-E396 IonicContact NE-OE2 2.8Å; R383-E396 IonicContact NH1-OE1 3.79Å; R383-E396 PolarHBondContact NH1-OE1 3.42Å; R383-E396 IonicContact NH1-OE2 2.65Å; R383-E396 PolarHBondContact NH1-OE2 3.33Å; R383-E396 IonicContact NH2-OE1 2.79Å; E392-E396 PolarHBondContact O-N 3.12Å
397T88.1Confident82.7Confident70 Ų7073.9 Ų73.943%0.42942%0.418SS..EExtended strand (participates in β ladder)trans-108.3135175.957.50000112.1V381 P382 R395V381-T397 CarbonylContact O-C 3.58Å; V381-T397 VanDerWaalsContact O-CA 3.32Å; V381-T397 WeakPolarHBondContact O-CA 3.12Å; P382-T397 HydrophobicContact CG-CG2 4.38Å; R395-T397 PolarHBondContact O-N 3.34Å
398V90.6Very high83.3Confident16 Ų1671.2 Ų71.210%0.09739%0.389CS..EExtended strand (participates in β ladder)trans-120.7153-177.2-71.10000111.4K380 V381 R383 M386K380-V398 WeakPolarHBondContact CA-O 3.33Å; V381-V398 HydrophobicContact CG2-CG2 4.14Å; V381-V398 PolarHBondContact N-O 2.92Å; V381-V398 PolarHBondContact O-N 3.29Å; R383-V398 HydrophobicContact CG-CG1 3.83Å; R383-V398 HydrophobicContact CG-CG2 4.03Å; M386-V398 HydrophobicContact CE-CG2 3.45Å; M386-V398 VanDerWaalsContact CE-CG2 3.45Å; M386-V398 HydrophobicContact SD-CG2 3.99Å
399F92.8Very high83.6Confident81 Ų8176.2 Ų76.236%0.35540%0.403SS..EExtended strand (participates in β ladder)trans-86.1135.7-178.5-75-77.9000112.2S366 S378 S379 K380S366-F399 WeakPolarHBondContact CB-O 3.42Å; S366-F399 PolarHBondContact N-O 2.93Å; S366-F399 PolarHBondContact OG-O 2.92Å; S378-F399 WeakPolarHBondContact O-CD1 3.25Å; S378-F399 WeakPolarHBondContact O-CE1 3.49Å; S379-F399 WeakPolarHBondContact O-CA 3.42Å; K380-F399 HydrophobicContact CD-CE1 4.33Å; K380-F399 HydrophobicContact CD-CZ 4.38Å; K380-F399 VanDerWaalsContact CE-CZ 3.42Å; K380-F399 HydrophobicContact CG-CD1 3.85Å; K380-F399 HydrophobicContact CG-CE1 3.62Å; K380-F399 HydrophobicContact CG-CG 4.49Å; K380-F399 HydrophobicContact CG-CZ 4.09Å
400V93.2Very high83.5Confident0 Ų077.2 Ų77.20%040%0.402CS..EExtended strand (participates in β ladder)trans-130.5158176.9-68.70000111N367 C377 S379 V381 M386 C404 Y405 L408N367-V400 HydrophobicContact CB-CG1 4.07Å; C377-V400 VanDerWaalsContact SG-C 3.59Å; S379-V400 PolarHBondContact O-N 3.32Å; V381-V400 HydrophobicContact CG1-CG2 3.91Å; V381-V400 HydrophobicContact CG2-CG1 3.87Å; V381-V400 HydrophobicContact CG2-CG2 4.05Å; M386-V400 HydrophobicContact CE-CG1 3.46Å; M386-V400 VanDerWaalsContact CE-CG1 3.46Å; V400-C404 HydrophobicContact CB-CB 4.15Å; V400-Y405 HydrophobicContact CG2-CD2 4.39Å; V400-L408 HydrophobicContact CG1-CD1 4.35Å
401C93.4Very high82.7Confident6 Ų683.2 Ų83.24%0.04142%0.422CS..EExtended strand (participates in β ladder)trans-75.1158.7172.168.40000111.6C365 F372 C376 A403 C404 Y405C365-C401 HydrophobicContact CB-CB 4.19Å; C365-C401 PolarHBondContact SG-N 2.87Å; F372-C401 HydrophobicContact CD1-CB 4.02Å; F372-C401 HydrophobicContact CD2-CB 3.75Å; F372-C401 HydrophobicContact CE1-CB 3.82Å; F372-C401 HydrophobicContact CE2-CB 3.54Å; F372-C401 HydrophobicContact CG-CB 3.99Å; F372-C401 HydrophobicContact CZ-CB 3.58Å; F372-C401 VanDerWaalsContact CZ-SG 3.6Å; C376-C401 VanDerWaalsContact O-CA 3.23Å; C376-C401 WeakPolarHBondContact O-CA 3.16Å; C401-A403 VanDerWaalsContact C-N 3.3Å; C401-A403 PolarHBondContact O-N 2.93Å; C401-C404 PolarHBondContact O-N 3.2Å; C401-C404 VanDerWaalsContact O-N 3.08Å; C401-C404 VanDerWaalsContact SG-SG 3.61Å; C401-Y405 PolarHBondContact O-N 2.93Å
402A89.5Confident83.4Confident52 Ų5283.3 Ų83.343%0.4342%0.416SS..Hα-helixtrans-52.7-42.2-176.100000113.8C376 Y405 S406C376-A402 PolarHBondContact O-N 3.41Å; A402-Y405 WeakPolarHBondContact O-CB 3.35Å; A402-Y405 PolarHBondContact O-N 3.13Å; A402-S406 PolarHBondContact O-N 2.59Å; A402-S406 PolarHBondContact O-OG 3.32Å
403A90.5Very high84Confident76 Ų7681.1 Ų81.163%0.62841%0.408SS*.Hα-helixtrans-63.6-44.6177.600000112.7C401 Y405 S406 F407C401-A403 VanDerWaalsContact C-N 3.3Å; C401-A403 PolarHBondContact O-N 2.93Å; A403-Y405 VanDerWaalsContact C-N 3.33Å; A403-S406 PolarHBondContact O-N 2.8Å; A403-F407 PolarHBondContact O-N 3.04Å; A403-F407 VanDerWaalsContact O-N 3.13Å
404C90.9Very high84.8Confident17 Ų1785.2 Ų85.212%0.11543%0.427CS..Hα-helixtrans-68.3-31.6175-70.90000112.4N367 C368 V400 C401 L408N367-C404 HydrophobicContact CB-CB 4.05Å; C368-C404 VanDerWaalsContact SG-SG 3.63Å; V400-C404 HydrophobicContact CB-CB 4.15Å; C401-C404 PolarHBondContact O-N 3.2Å; C401-C404 VanDerWaalsContact O-N 3.08Å; C401-C404 VanDerWaalsContact SG-SG 3.61Å; C404-L408 VanDerWaalsContact O-CB 3.3Å; C404-L408 WeakPolarHBondContact O-CB 3.25Å; C404-L408 WeakPolarHBondContact O-CG 3.5Å; C404-L408 PolarHBondContact O-N 3.03Å
405Y91.1Very high85.9Confident79 Ų7982 Ų8231%0.3141%0.414SS..Hα-helixtrans-64-48.5174.3178.8-113000111.4S379 V381 V400 C401 A402 A403 F407 L408 K409S379-Y405 VanDerWaalsContact CB-CG 3.5Å; V381-Y405 HydrophobicContact CG1-CD2 3.69Å; V381-Y405 HydrophobicContact CG1-CE2 4.11Å; V400-Y405 HydrophobicContact CG2-CD2 4.39Å; C401-Y405 PolarHBondContact O-N 2.93Å; A402-Y405 WeakPolarHBondContact O-CB 3.35Å; A402-Y405 PolarHBondContact O-N 3.13Å; A403-Y405 VanDerWaalsContact C-N 3.33Å; Y405-F407 VanDerWaalsContact C-N 3.35Å; Y405-F407 PolarHBondContact O-N 2.64Å; Y405-L408 PolarHBondContact O-N 3.32Å; Y405-K409 HydrophobicContact CE1-CD 4.46Å; Y405-K409 WeakPolarHBondContact O-CB 3.2Å; Y405-K409 PolarHBondContact O-N 3.25Å; Y405-K409 VanDerWaalsContact O-N 3.16Å
406S89.6Confident86.5Confident70 Ų7073.1 Ų73.149%0.4939%0.387SS..Hα-helixtrans-61.1-42.8177.1-59.10000112.1A402 A403 K409 L410A402-S406 PolarHBondContact O-N 2.59Å; A402-S406 PolarHBondContact O-OG 3.32Å; A403-S406 PolarHBondContact O-N 2.8Å; S406-K409 PolarHBondContact O-N 3.42Å; S406-L410 WeakPolarHBondContact O-CD1 3.21Å; S406-L410 WeakPolarHBondContact O-CG 3.5Å; S406-L410 PolarHBondContact O-N 3.24Å
407F88.6Confident86.7Confident131 Ų13172.3 Ų72.358%0.57539%0.386SS*.Hα-helixtrans-61.5-51.8176.3-177.2-88.7000112.2A403 Y405 K409 L410A403-F407 PolarHBondContact O-N 3.04Å; A403-F407 VanDerWaalsContact O-N 3.13Å; Y405-F407 VanDerWaalsContact C-N 3.35Å; Y405-F407 PolarHBondContact O-N 2.64Å; F407-K409 PolarHBondContact O-N 2.66Å; F407-K409 VanDerWaalsContact O-N 3.07Å; F407-L410 PolarHBondContact O-N 3.33Å; F407-L410 VanDerWaalsContact O-N 3.14Å
408L86.4Confident86.6Confident8 Ų872.5 Ų72.54%0.04238%0.383CS..THydrogen-bonded Turntrans-70.7-0.2-179.4-66.6175.7000114.2N367 V381 F385 M386 V400 C404 Y405N367-L408 HydrophobicContact CB-CD1 4.18Å; V381-L408 HydrophobicContact CG2-CD1 4.19Å; F385-L408 WeakPolarHBondContact CD1-O 3.26Å; F385-L408 WeakPolarHBondContact CE1-O 3.19Å; F385-L408 WeakPolarHBondContact O-CD2 3.43Å; M386-L408 HydrophobicContact CE-CD1 4.14Å; V400-L408 HydrophobicContact CG1-CD1 4.35Å; C404-L408 VanDerWaalsContact O-CB 3.3Å; C404-L408 WeakPolarHBondContact O-CB 3.25Å; C404-L408 WeakPolarHBondContact O-CG 3.5Å; C404-L408 PolarHBondContact O-N 3.03Å; Y405-L408 PolarHBondContact O-N 3.32Å
409K79.6Confident86.2Confident144 Ų14476.8 Ų76.863%0.62641%0.405SS*.THydrogen-bonded Turntrans-112.12.2175.4-144.1-165.7-174.6-1500113.2Y405 S406 F407Y405-K409 HydrophobicContact CE1-CD 4.46Å; Y405-K409 WeakPolarHBondContact O-CB 3.2Å; Y405-K409 PolarHBondContact O-N 3.25Å; Y405-K409 VanDerWaalsContact O-N 3.16Å; S406-K409 PolarHBondContact O-N 3.42Å; F407-K409 PolarHBondContact O-N 2.66Å; F407-K409 VanDerWaalsContact O-N 3.07Å
410L74Confident85.7Confident161 Ų16176.5 Ų76.584%0.84341%0.409SS*.  trans-108.97.3172.9-70.9167.7000111.7S406 F407S406-L410 WeakPolarHBondContact O-CD1 3.21Å; S406-L410 WeakPolarHBondContact O-CG 3.5Å; S406-L410 PolarHBondContact O-N 3.24Å; F407-L410 PolarHBondContact O-N 3.33Å; F407-L410 VanDerWaalsContact O-N 3.14Å
411Q61.4Low85Confident174 Ų17483.5 Ų83.581%0.81345%0.446SS*.  trans-127.90-178.5-176.1179.3-1.500109.3

Retrieved 411 of 411 residues in 714.3 ms (Link to these results)