A0A2K5NCE6_CERAT Loading...

REST corepressor 3

AlphaFold DB , UniProt , Accession A0A2K5NCE6, Species CERAT (Cercocebus atys, Sooty mangabey), Gene RCOR3, Length 553 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
1M37.4Very low35.7Very low231 Ų231158.5 Ų158.5100%1.13887%0.871SS**  0129.60-76.8-56.2-162.200107.6
2P47.8Very low35.2Very low121 Ų121160.9 Ų160.979%0.78688%0.88SS**  cis-69.6-168.3-15.6-14.132.8000110.8
3G36.2Very low34.7Very low67 Ų67152.5 Ų152.569%0.69185%0.853SS**  cis101.8138.810.100000111.8
4M38.8Very low34.5Very low174 Ų174155.6 Ų155.686%0.85785%0.853SS**  cis-151.3156.31.5-70.1140.257.700109.3
5M38.2Very low34Very low194 Ų194155.5 Ų155.596%0.95685%0.851SS**  trans165.5140.7133.9-90.6169.5-176.700110.7
6E32.9Very low33.6Very low196 Ų196161.4 Ų161.492%0.91686%0.857SS**  trans-83.7164.4-177.2-77.7-163.699.400113.9
7K34.9Very low33.3Very low207 Ų207158.7 Ų158.790%0.985%0.854SS**  trans-94114.7166.6-70-179.8173.9-177.40110.2
8G30.2Very low33.2Very low74 Ų74154.7 Ų154.776%0.76385%0.847SS**  trans-86.6140.5154.100000110.2
9P37Very low33Very low131 Ų131155.4 Ų155.485%0.85185%0.849SS**  trans-94.2131.8178.934.1-31.1000112.7
10E28.4Very low32.9Very low188 Ų188151 Ų15188%0.87984%0.841SS**  trans-110.2117.4166.3-77.4-159114.300112.5
11L30.4Very low32.8Very low161 Ų161150.1 Ų150.184%0.84385%0.845SS**  trans10.2121.2145-70.2159000119.7
12L29.6Very low32.4Very low187 Ų187144.3 Ų144.398%0.97983%0.834SS**  trans-119.7127.1140.7-160.482.9000107
13G29.1Very low31.7Very low52 Ų52147.6 Ų147.654%0.53684%0.836SS.*  cis157.6163.8-1.800000109.2
14K31.9Very low31.7Very low195 Ų195149.5 Ų149.585%0.84884%0.838SS**  trans-161.4121.9162.5-109.6135.5-169.1169.20115.1
15N27.6Very low32.2Very low154 Ų154147.1 Ų147.182%0.82484%0.836SS**  trans50.9103.4137-56.219.5000118.9
16R27.1Very low31.7Very low250 Ų250142.9 Ų142.994%0.94383%0.832SS**  trans-103.7130.2146.9-78.6-176172.3-177.2-1.5110.7
17S28Very low31.6Very low116 Ų116137.6 Ų137.681%0.81183%0.83SS**  trans-116.2123.7133.9-59.60000104.5
18A31.8Very low31.2Very low87 Ų87131.7 Ų131.772%0.71983%0.828SS**  56.3116.968.300000110.6
19N29.6Very low31.1Very low168 Ų168132.3 Ų132.390%0.89884%0.835SS**  cis-126.5169.86.9-105.8-12.5000110.9
20G30.8Very low30.7Very low66 Ų66129.4 Ų129.468%0.6883%0.828SS**  cis144.8112.12.800000109.7
21S31.2Very low30.8Very low133 Ų133127 Ų12793%0.9383%0.833SS**  trans-104.7141.7-173.6-55.50000111.9
22A29.8Very low30.7Very low109 Ų109123.4 Ų123.490%0.90183%0.834SS**  trans-137.9154.1167.500000110
23K33.2Very low30.8Very low190 Ų190119.6 Ų119.683%0.82683%0.829SS**  trans-148.2109.5-156.1176.9-170.1173.7-1740113.2
24S35.2Very low30.7Very low107 Ų107123 Ų12375%0.74885%0.845SS**  trans62.3-172.3155.5-490000114
25P48.5Very low30.6Very low124 Ų124118.5 Ų118.581%0.80584%0.838SS**  cis-132.8165.2-7.641.9-26.3000116.6
26A29.2Very low30.8Very low106 Ų106117.5 Ų117.588%0.87684%0.837SS**  trans-154.8150.3140.600000108.3
27G31.1Very low31Very low84 Ų84113.5 Ų113.587%0.86684%0.835SS**  trans-140.6169.6178.100000111
28G25.8Very low31Very low84 Ų84111.9 Ų111.987%0.86684%0.837SS**  trans-157.4155.4-177.300000114.2
29G27.3Very low30.9Very low87 Ų87111 Ų11190%0.89784%0.836SS**  trans101.9127.1-175.800000112.8
30G28.4Very low31.1Very low70 Ų70111.5 Ų111.572%0.72284%0.837SS**  cis173.6170.9-7.600000113.2
31S31.7Very low31.1Very low138 Ų138116.2 Ų116.297%0.96584%0.842SS**  trans70.4117.5165.5-55.30000119.3
32G27.6Very low31.1Very low84 Ų84119.3 Ų119.387%0.86683%0.834SS**  trans167.7132.6168.600000110.3
33A31.3Very low31.3Very low107 Ų107118.9 Ų118.988%0.88482%0.824SS**  trans-122.8144.4-164.800000114.7
34S28.1Very low31.4Very low123 Ų123118.4 Ų118.486%0.8683%0.825SS**  trans-165.9164.5134.6-156.30000112.2
35S29.1Very low32Very low101 Ų101119.3 Ų119.371%0.70683%0.829SS**  trans-80.2150.2-166.8-49.60000115.9
36T31.3Very low32Very low133 Ų133121.8 Ų121.882%0.81683%0.829SS**  179.1147.6105.828.70000114.8
37N31.7Very low32.7Very low167 Ų167122.7 Ų122.789%0.89383%0.829SS**  trans-6.8143.1167.9-54.1-9.9000121.8
38G28.9Very low32.7Very low82 Ų82122.2 Ų122.285%0.84582%0.824SS**  trans-166.9-22.4172.400000122.6
39G28.6Very low33.1Very low68 Ų68124.3 Ų124.370%0.70182%0.824SS**  trans60120.8162.500000123
40L35.2Very low33.9Very low178 Ų178125.6 Ų125.693%0.93282%0.82SS**  trans64.8144149.4-50.7172.2000117.7
41H29.4Very low34.3Very low166 Ų166127.6 Ų127.677%0.76982%0.822SS**  cis-153168.525.8-178.3-92.4000113.1
42Y30.9Very low35Very low198 Ų198128 Ų12878%0.77681%0.814SS**  trans-60.7147.2179.2-135.2-119.2000116.5
43S34.7Very low35.6Very low99 Ų99129.1 Ų129.169%0.69280%0.8SS**  154.9126.8113.8-77.70000115
44E36Very low36.7Very low181 Ų181133 Ų13385%0.84680%0.8SS**  trans-85166.3151.1-68.6178.299.900109.9
45P47.5Very low37.7Very low126 Ų126134.4 Ų134.482%0.81879%0.792SS**  -147.7166.3100.239.3-24.2000116.2
46E47.4Very low38.6Very low176 Ų176136.7 Ų136.782%0.82280%0.797SS**  trans-74.6167166.9-61.3-178.992.500113.7
47S44.3Very low39.8Very low124 Ų124136.8 Ų136.887%0.86780%0.797SS**  trans120.7143.8140.8-560000117.6
48G32.1Very low41.5Very low74 Ų74130.8 Ų130.876%0.76377%0.774SS**  trans108.2106.1173.900000112.3
49C33.1Very low43.5Very low129 Ų129135.5 Ų135.587%0.87278%0.776SS**  cis88.6109.348.7-165.50000113.7
50S44Very low45.8Very low114 Ų114141 Ų14180%0.79778%0.776SS**  trans5.8124158.3-170.70000119.7
51S37.4Very low47.8Very low111 Ų111138.2 Ų138.278%0.77677%0.766SS**  trans-134142.4134.3-163.90000109.7
52D45.6Very low50Low147 Ų147131 Ų13179%0.78674%0.737SS**  trans-78.7139.4158.8-170.562.1000107.5
53D40.4Very low52.1Low107 Ų107125.8 Ų125.857%0.57273%0.734SS**  trans-157.8120.8176.6-160.3-80.5000109.6H55D53-H55 PolarHBondContact O-N 3.47Å; D53-H55 IonicContact OD1-CE1 3.92Å; D53-H55 PolarHBondContact OD1-CE1 3.09Å; D53-H55 IonicContact OD1-ND1 2.69Å; D53-H55 PolarHBondContact OD1-ND1 2.67Å
54E54.5Low54.1Low189 Ų189127.6 Ų127.688%0.88373%0.732SS**  trans-74.576.3178.8-74.6-168.788.500110.8D56E54-D56 PolarHBondContact O-N 2.88Å
55H50Low56Low152 Ų152125.1 Ų125.170%0.70472%0.716SS**  trans-63.2105.1176-71.9-4.3000111.6D53D53-H55 PolarHBondContact O-N 3.47Å; D53-H55 IonicContact OD1-CE1 3.92Å; D53-H55 PolarHBondContact OD1-CE1 3.09Å; D53-H55 IonicContact OD1-ND1 2.69Å; D53-H55 PolarHBondContact OD1-ND1 2.67Å
56D48.4Very low57.6Low149 Ų149125.4 Ų125.480%0.79771%0.706SS**  trans-38.8135.4164.6175.934.6000111.4E54 G58E54-D56 PolarHBondContact O-N 2.88Å; D56-G58 PolarHBondContact O-N 3Å
57V55.9Low59Low136 Ų136121.4 Ų121.482%0.82470%0.703SS**  trans-83.651-176.3-163.30000110.1
58G68.2Low60.6Low40 Ų40127 Ų12741%0.41271%0.705SS.*  trans-57.3150170.500000111.4D56 R60D56-G58 PolarHBondContact O-N 3Å; G58-R60 PolarHBondContact O-N 3.47Å; G58-R60 VanDerWaalsContact O-N 3.15Å
59M69.1Low62.8Low181 Ų181130.6 Ų130.689%0.89271%0.705SS**  trans-62.5119-179.1-60.4-178-170.100109.7V61M59-V61 HydrophobicContact CB-CG2 4.37Å; M59-V61 PolarHBondContact O-N 2.83Å
60R77Confident65Low185 Ų185129.8 Ų129.870%0.69870%0.698SS**  trans-73.294.9-177.8-62.1-173.2-178.3-159.8-2.4110.1G58 Y65G58-R60 PolarHBondContact O-N 3.47Å; G58-R60 VanDerWaalsContact O-N 3.15Å; R60-Y65 HydrophobicContact CB-CD1 3.92Å; R60-Y65 HydrophobicContact CB-CD2 3.88Å; R60-Y65 HydrophobicContact CB-CE1 4.29Å; R60-Y65 HydrophobicContact CB-CE2 4.26Å; R60-Y65 HydrophobicContact CB-CG 3.71Å; R60-Y65 VanDerWaalsContact O-CB 3.3Å; R60-Y65 WeakPolarHBondContact O-CB 3.38Å
61V77.3Confident66.7Low119 Ų119133.5 Ų133.572%0.72170%0.703SS**  trans-109.5114-178.91790000109.3M59M59-V61 HydrophobicContact CB-CG2 4.37Å; M59-V61 PolarHBondContact O-N 2.83Å
62G76.4Confident68.1Low15 Ų15136.7 Ų136.716%0.15570%0.703CS.*SBendtrans-178.1163.7179.800000109.9E64 Y65 Q66G62-E64 VanDerWaalsContact CA-OE2 3.28Å; G62-E64 WeakPolarHBondContact CA-OE2 3.5Å; G62-E64 PolarHBondContact O-N 2.75Å; G62-Y65 PolarHBondContact O-N 2.79Å; G62-Y65 VanDerWaalsContact O-N 3.08Å; G62-Q66 WeakPolarHBondContact O-CG 3.4Å; G62-Q66 PolarHBondContact O-N 3.21Å
63A75.4Confident69.4Low87 Ų87134.1 Ų134.172%0.71969%0.69SS**G310 helixtrans-67.2-27.5178.700000112.1Y65 Q66A63-Y65 VanDerWaalsContact C-N 3.28Å; A63-Q66 PolarHBondContact O-N 2.97Å
64E75.9Confident70.5Confident138 Ų138133.4 Ų133.465%0.64569%0.691SS**G310 helixtrans-72.4-16172.173.1-79.2-162.300113.8G62G62-E64 VanDerWaalsContact CA-OE2 3.28Å; G62-E64 WeakPolarHBondContact CA-OE2 3.5Å; G62-E64 PolarHBondContact O-N 2.75Å
65Y76.8Confident70.7Confident128 Ų128126.9 Ų126.950%0.50267%0.674SS.*G310 helixtrans-107.72175.9-56.4-62.2000113.2R60 G62 A63R60-Y65 HydrophobicContact CB-CD1 3.92Å; R60-Y65 HydrophobicContact CB-CD2 3.88Å; R60-Y65 HydrophobicContact CB-CE1 4.29Å; R60-Y65 HydrophobicContact CB-CE2 4.26Å; R60-Y65 HydrophobicContact CB-CG 3.71Å; R60-Y65 VanDerWaalsContact O-CB 3.3Å; R60-Y65 WeakPolarHBondContact O-CB 3.38Å; G62-Y65 PolarHBondContact O-N 2.79Å; G62-Y65 VanDerWaalsContact O-N 3.08Å; A63-Y65 VanDerWaalsContact C-N 3.28Å
66Q80.8Confident70.8Confident133 Ų133122.8 Ų122.862%0.62167%0.666SS**SBendtrans-106.2150.7176.3-71.7176.220.200111.1G62 A63 R68G62-Q66 WeakPolarHBondContact O-CG 3.4Å; G62-Q66 PolarHBondContact O-N 3.21Å; A63-Q66 PolarHBondContact O-N 2.97Å; Q66-R68 PolarHBondContact O-N 3.46Å
67A77Confident70.8Confident91 Ų91120.6 Ų120.675%0.75266%0.659SS**  trans-70.5117.1175.200000110I69A67-I69 PolarHBondContact O-N 3.26Å
68R78.4Confident70.5Confident241 Ų241122.9 Ų122.991%0.90966%0.658SS**  trans-71.492.8174.9-171.1178.4-175.4179.12.4110.2Q66 P70Q66-R68 PolarHBondContact O-N 3.46Å; R68-P70 WeakPolarHBondContact O-CD 3.46Å
69I78.1Confident69.4Low150 Ų150130.5 Ų130.577%0.76968%0.675SS**PPolyproline II helixtrans-62.9123.7176.1-54.4177.3000108.7A67A67-I69 PolarHBondContact O-N 3.26Å
70P79.2Confident68.4Low112 Ų112125.8 Ų125.873%0.72766%0.657SS**PPolyproline II helixtrans-66.3156172.5-20.133.5000112R68R68-P70 WeakPolarHBondContact O-CD 3.46Å
71E78.6Confident67Low192 Ų192123.5 Ų123.590%0.89766%0.658SS**PPolyproline II helixtrans-62.4142.3171.3-66.6-179.3171.600110.8D73E71-D73 PolarHBondContact O-N 3.28Å
72F67.4Low65.8Low178 Ų178127.3 Ų127.378%0.78167%0.665SS**  trans-75.4104.7-175.8175.4-102.1000111P74F72-P74 HydrophobicContact CD1-CG 4.3Å; F72-P74 HydrophobicContact CE1-CB 4.35Å; F72-P74 HydrophobicContact CE1-CG 3.97Å; F72-P74 WeakPolarHBondContact O-CD 3.29Å
73D72.3Confident64.7Low94 Ų94132.1 Ų132.150%0.50369%0.688SS.*  trans-86113.8168.517323.6000110.7E71 G75 A76E71-D73 PolarHBondContact O-N 3.28Å; D73-G75 PolarHBondContact O-N 3.23Å; D73-G75 WeakPolarHBondContact OD1-CA 3.37Å; D73-G75 PolarHBondContact OD1-N 3.2Å; D73-A76 HydrophobicContact CB-CB 4.02Å; D73-A76 WeakPolarHBondContact O-CB 3.36Å; D73-A76 PolarHBondContact O-N 2.89Å; D73-A76 VanDerWaalsContact O-N 3.14Å; D73-A76 PolarHBondContact OD2-N 3.41Å; D73-A76 VanDerWaalsContact OD2-N 3.08Å
74P63.8Low63.5Low92 Ų92133.5 Ų133.560%0.59768%0.683SS**G310 helixtrans-60.8-26.9174.1-20.733.4000113.1F72 A76 T77F72-P74 HydrophobicContact CD1-CG 4.3Å; F72-P74 HydrophobicContact CE1-CB 4.35Å; F72-P74 HydrophobicContact CE1-CG 3.97Å; F72-P74 WeakPolarHBondContact O-CD 3.29Å; P74-A76 VanDerWaalsContact C-N 3.33Å; P74-T77 PolarHBondContact O-OG1 3.15Å
75G59.6Low62.6Low51 Ų51131.1 Ų131.153%0.52670%0.695SS.*G310 helixtrans-72.9-19.6177.400000114.5D73 T77D73-G75 PolarHBondContact O-N 3.23Å; D73-G75 WeakPolarHBondContact OD1-CA 3.37Å; D73-G75 PolarHBondContact OD1-N 3.2Å; G75-T77 PolarHBondContact O-N 2.68Å
76A50.9Low62.1Low66 Ų66128.2 Ų128.255%0.54570%0.704SS.*G310 helixtrans-71.8-3.5176.300000113.4D73 P74 K78D73-A76 HydrophobicContact CB-CB 4.02Å; D73-A76 WeakPolarHBondContact O-CB 3.36Å; D73-A76 PolarHBondContact O-N 2.89Å; D73-A76 VanDerWaalsContact O-N 3.14Å; D73-A76 PolarHBondContact OD2-N 3.41Å; D73-A76 VanDerWaalsContact OD2-N 3.08Å; P74-A76 VanDerWaalsContact C-N 3.33Å; A76-K78 PolarHBondContact O-N 3.1Å
77T49.6Very low61.8Low103 Ų103129.7 Ų129.763%0.63271%0.713SS**  trans-72.445176.4-35.70000112.9P74 G75 Y79P74-T77 PolarHBondContact O-OG1 3.15Å; G75-T77 PolarHBondContact O-N 2.68Å; T77-Y79 VanDerWaalsContact C-N 3.34Å
78K49.5Very low61.9Low185 Ų185130.9 Ų130.980%0.80471%0.706SS**  trans-101.337.5164.6-65.8-169.9-178.9-1800111.5A76 T80A76-K78 PolarHBondContact O-N 3.1Å; K78-T80 PolarHBondContact O-N 2.81Å; K78-T80 VanDerWaalsContact O-N 3.13Å
79Y44.9Very low61.9Low199 Ų199122.7 Ų122.778%0.7868%0.682SS**  trans-59.7109.9146.8-91.1-89.5000106.9T77 D81T77-Y79 VanDerWaalsContact C-N 3.34Å; Y79-D81 PolarHBondContact O-N 3.32Å
80T46.7Very low62.4Low82 Ų82118.6 Ų118.650%0.50366%0.658SS.*  trans-64.7119.7170.918.60000108.2K78 K82 D83K78-T80 PolarHBondContact O-N 2.81Å; K78-T80 VanDerWaalsContact O-N 3.13Å; T80-K82 PolarHBondContact O-N 3.23Å; T80-D83 WeakPolarHBondContact CB-OD2 3.2Å; T80-D83 PolarHBondContact O-N 3.15Å; T80-D83 PolarHBondContact OG1-OD2 2.91Å
81D48.7Very low62.6Low138 Ų138115.2 Ų115.274%0.73864%0.636SS**G310 helixtrans-54.9-20.2178.5-165.739.2000112.7Y79 D83 N84Y79-D81 PolarHBondContact O-N 3.32Å; D81-D83 PolarHBondContact O-N 3.4Å; D81-N84 PolarHBondContact O-N 3.03Å
82K52.8Low62.6Low198 Ų198110.7 Ų110.786%0.86162%0.624SS**G310 helixtrans-58.9-21.5169.8-63.2-167.8173-168.50115.1T80T80-K82 PolarHBondContact O-N 3.23Å
83D51.4Low63.1Low117 Ų117108 Ų10863%0.62661%0.609SS**G310 helixtrans-94.6-11.2-178.3-62-76.7000112.8T80 D81 G85T80-D83 WeakPolarHBondContact CB-OD2 3.2Å; T80-D83 PolarHBondContact O-N 3.15Å; T80-D83 PolarHBondContact OG1-OD2 2.91Å; D81-D83 PolarHBondContact O-N 3.4Å; D83-G85 VanDerWaalsContact C-N 3.32Å; D83-G85 PolarHBondContact O-N 2.89Å
84N50.7Low63.2Low116 Ų116112.7 Ų112.762%0.6263%0.628SS**  trans-74.985.2166.4-88.27.1000109.5D81 G86D81-N84 PolarHBondContact O-N 3.03Å; N84-G86 PolarHBondContact O-N 2.96Å
85G57.6Low63.9Low88 Ų88112.2 Ų112.291%0.90763%0.626SS**  trans-6516.8179.900000116.7D83D83-G85 VanDerWaalsContact C-N 3.32Å; D83-G85 PolarHBondContact O-N 2.89Å
86G65Low65Low66 Ų66110.8 Ų110.868%0.6861%0.607SS**  trans-96.8116.1174.300000111.3N84N84-G86 PolarHBondContact O-N 2.96Å
87M74.9Confident66.9Low164 Ų164111.3 Ų111.381%0.80861%0.605SS**  trans-73130.2172.5-174.3178.4-6700110.2V89M87-V89 HydrophobicContact CG-CG1 4.42Å; M87-V89 PolarHBondContact O-N 2.98Å
88L80.1Confident68.7Low116 Ų116112.3 Ų112.361%0.60761%0.606SS**  trans-70.9101.2171.8-177.764.2000109.6W90 F124L88-W90 VanDerWaalsContact CD1-O 3.28Å; L88-W90 WeakPolarHBondContact CD1-O 3.42Å; L88-F124 HydrophobicContact CD2-CE1 4.24Å; L88-F124 HydrophobicContact CD2-CZ 3.74Å; L88-F124 HydrophobicContact CG-CE1 4.04Å; L88-F124 HydrophobicContact CG-CZ 3.98Å; L88-F124 WeakPolarHBondContact O-CD1 3.5Å; L88-F124 WeakPolarHBondContact O-CE1 3.38Å
89V79Confident70.7Confident69 Ų69107.1 Ų107.142%0.41860%0.598SS.*  trans-92.5-15.6-179.5-65.10000113.9M87 G121 F124M87-V89 HydrophobicContact CG-CG1 4.42Å; M87-V89 PolarHBondContact O-N 2.98Å; V89-G121 WeakPolarHBondContact O-CA 3.18Å; V89-G121 PolarHBondContact O-N 2.93Å; V89-F124 WeakPolarHBondContact O-CB 3.24Å
90W87.9Confident72.9Confident65 Ų65103.5 Ų103.525%0.24659%0.586CS.*  trans-155.4147179179.9-115.8000111.9L88 L101 L120 L123 F124 H128L88-W90 VanDerWaalsContact CD1-O 3.28Å; L88-W90 WeakPolarHBondContact CD1-O 3.42Å; W90-L101 HydrophobicContact CH2-CD1 3.97Å; W90-L101 HydrophobicContact CH2-CD2 4.28Å; W90-L101 HydrophobicContact CZ2-CD1 4.48Å; W90-L101 HydrophobicContact CZ2-CD2 4Å; W90-L120 HydrophobicContact CB-CB 4.28Å; W90-L120 HydrophobicContact CD2-CB 4.01Å; W90-L120 HydrophobicContact CD2-CD1 4.4Å; W90-L120 HydrophobicContact CD2-CD2 3.9Å; W90-L120 HydrophobicContact CD2-CG 4.32Å; W90-L120 HydrophobicContact CE3-CB 3.79Å; W90-L120 HydrophobicContact CE3-CD2 3.83Å; W90-L120 HydrophobicContact CE3-CG 4.35Å; W90-L120 HydrophobicContact CG-CB 4.23Å; W90-L120 HydrophobicContact CG-CD1 4.32Å; W90-L120 HydrophobicContact CH2-CD2 3.83Å; W90-L120 HydrophobicContact CZ2-CD2 3.9Å; W90-L120 HydrophobicContact CZ3-CB 4.43Å; W90-L120 HydrophobicContact CZ3-CD2 3.8Å; W90-L123 HydrophobicContact CH2-CD2 3.93Å; W90-L123 HydrophobicContact CH2-CG 4.49Å; W90-L123 HydrophobicContact CZ3-CB 4.17Å; W90-L123 HydrophobicContact CZ3-CD2 3.87Å; W90-L123 HydrophobicContact CZ3-CG 4.02Å; W90-F124 HydrophobicContact CE3-CB 4.14Å; W90-H128 AromaticContact CE3-NE2 3.94Å; W90-H128 AromaticContact CH2-CD2 3.49Å; W90-H128 VanDerWaalsContact CH2-CD2 3.49Å; W90-H128 WeakPolarHBondContact CH2-CD2 3.38Å; W90-H128 AromaticContact CH2-NE2 3.72Å; W90-H128 AromaticContact CZ3-CD2 3.45Å; W90-H128 VanDerWaalsContact CZ3-CD2 3.45Å; W90-H128 WeakPolarHBondContact CZ3-CD2 3.31Å; W90-H128 AromaticContact CZ3-NE2 3.49Å; W90-H128 WeakPolarHBondContact CZ3-NE2 3.45Å
91S83.9Confident75Confident40 Ų40101 Ų10128%0.2857%0.569SS.*  trans-134.9143.6159.3670000110.2Y93 F124 H128S91-Y93 PolarHBondContact O-N 3.41Å; S91-F124 WeakPolarHBondContact OG-CE2 3.37Å; S91-H128 PolarHBondContact O-NE2 2.93Å
92P78.8Confident77.1Confident98 Ų9899.4 Ų99.464%0.63656%0.561SS**  trans-62.1134.2174.5-22.533.9000111.8
93Y77.8Confident79.1Confident122 Ų12295.7 Ų95.748%0.47855%0.546SS..  trans-134.7101.4-178-168.5-116.1000111.7S91 S95 I96 H128S91-Y93 PolarHBondContact O-N 3.41Å; Y93-S95 WeakPolarHBondContact CD1-OG 3.44Å; Y93-S95 WeakPolarHBondContact CE1-OG 3.4Å; Y93-S95 PolarHBondContact O-N 3.07Å; Y93-I96 PolarHBondContact O-N 3.43Å; Y93-H128 WeakPolarHBondContact CB-CD2 3.35Å; Y93-H128 WeakPolarHBondContact CB-NE2 3.32Å; Y93-H128 HydrophobicContact CD1-CB 3.36Å; Y93-H128 AromaticContact CD1-CG 3.62Å; Y93-H128 AromaticContact CD1-ND1 3.99Å; Y93-H128 HydrophobicContact CE1-CB 3.9Å; Y93-H128 HydrophobicContact CG-CB 4Å; Y93-H128 AromaticContact CG-CG 3.7Å; Y93-H128 AromaticContact CG-ND1 3.75Å
94H73.8Confident81.1Confident191 Ų19190.2 Ų90.288%0.88452%0.517SS*.THydrogen-bonded Turntrans-66.515.1-169.3-5297000116.1
95S78.6Confident83.1Confident82 Ų8286 Ų8657%0.57349%0.494SS*.THydrogen-bonded Turntrans-104-10.8173.490.20000114Y93Y93-S95 WeakPolarHBondContact CD1-OG 3.44Å; Y93-S95 WeakPolarHBondContact CE1-OG 3.4Å; Y93-S95 PolarHBondContact O-N 3.07Å
96I83.4Confident84.8Confident21 Ų2184.2 Ų84.211%0.10847%0.471CS..SBendtrans-92.4124.5169.5-60.1178.8000107.6Y93 K100 L101 L123 H128 I130Y93-I96 PolarHBondContact O-N 3.43Å; I96-K100 HydrophobicContact CG2-CB 4.28Å; I96-L101 HydrophobicContact CG2-CB 3.95Å; I96-L123 HydrophobicContact CD1-CD1 4.37Å; I96-L123 HydrophobicContact CD1-CD2 3.89Å; I96-L123 HydrophobicContact CD1-CG 4.42Å; I96-H128 HydrophobicContact CD1-CB 3.96Å; I96-H128 WeakPolarHBondContact CD1-O 3.42Å; I96-I130 HydrophobicContact CD1-CD1 4.28Å; I96-I130 HydrophobicContact CD1-CG1 4.15Å; I96-I130 HydrophobicContact CG2-CD1 3.97Å
97P89.9Confident86Confident78 Ų7883.7 Ų83.751%0.50645%0.452SS..  trans-69.7132.7167.1-15.129.9000110.4A99 K100 L101P97-A99 VanDerWaalsContact C-N 3.25Å; P97-A99 PolarHBondContact O-N 2.8Å; P97-A99 VanDerWaalsContact O-N 3.07Å; P97-K100 WeakPolarHBondContact O-CB 3.46Å; P97-K100 PolarHBondContact O-N 3.37Å; P97-L101 PolarHBondContact O-N 2.92Å
98D86.8Confident86.7Confident124 Ų12475.9 Ų75.966%0.66341%0.414SS*.Hα-helixtrans-47.6-43-173.6-55.1-18.5000113.7K100 L101 D102D98-K100 PolarHBondContact O-N 3.33Å; D98-K100 VanDerWaalsContact O-N 3.15Å; D98-L101 CarbonylContact O-C 3.58Å; D98-L101 WeakPolarHBondContact O-CA 3.26Å; D98-L101 VanDerWaalsContact O-CB 3.29Å; D98-L101 WeakPolarHBondContact O-CB 3.45Å; D98-L101 PolarHBondContact O-N 3.13Å; D98-D102 PolarHBondContact O-N 2.73Å
99A92Very high87.1Confident76 Ų7676.8 Ų76.863%0.62841%0.413SS*.Hα-helixtrans-57.8-30.7177.800000114.3P97 E103P97-A99 VanDerWaalsContact C-N 3.25Å; P97-A99 PolarHBondContact O-N 2.8Å; P97-A99 VanDerWaalsContact O-N 3.07Å; A99-E103 WeakPolarHBondContact O-CB 3.43Å; A99-E103 PolarHBondContact O-N 3.21Å; A99-E103 VanDerWaalsContact O-N 3.13Å
100K90.9Very high87.5Confident122 Ų12280.3 Ų80.353%0.5343%0.425SS..Hα-helixtrans-80.4-26.9173.6-68.1-167.4173.1-169.50112.6I96 P97 D98 Y104 I130I96-K100 HydrophobicContact CG2-CB 4.28Å; P97-K100 WeakPolarHBondContact O-CB 3.46Å; P97-K100 PolarHBondContact O-N 3.37Å; D98-K100 PolarHBondContact O-N 3.33Å; D98-K100 VanDerWaalsContact O-N 3.15Å; K100-Y104 WeakPolarHBondContact O-CB 3.36Å; K100-Y104 PolarHBondContact O-N 3.29Å; K100-Y104 VanDerWaalsContact O-N 3.09Å; K100-I130 HydrophobicContact CB-CD1 4.04Å
101L91.1Very high87.3Confident30 Ų3083.5 Ų83.516%0.15744%0.44CS..Hα-helixtrans-70.1-44.1172.5-176.459.7000110.1W90 I96 P97 D98 Y104 I105 L120 L123W90-L101 HydrophobicContact CH2-CD1 3.97Å; W90-L101 HydrophobicContact CH2-CD2 4.28Å; W90-L101 HydrophobicContact CZ2-CD1 4.48Å; W90-L101 HydrophobicContact CZ2-CD2 4Å; I96-L101 HydrophobicContact CG2-CB 3.95Å; P97-L101 PolarHBondContact O-N 2.92Å; D98-L101 CarbonylContact O-C 3.58Å; D98-L101 WeakPolarHBondContact O-CA 3.26Å; D98-L101 VanDerWaalsContact O-CB 3.29Å; D98-L101 WeakPolarHBondContact O-CB 3.45Å; D98-L101 PolarHBondContact O-N 3.13Å; L101-Y104 HydrophobicContact CD1-CD1 4.47Å; L101-Y104 PolarHBondContact O-N 3.34Å; L101-I105 HydrophobicContact CD1-CD1 4.27Å; L101-I105 HydrophobicContact CG-CD1 3.98Å; L101-I105 VanDerWaalsContact O-CG1 3.26Å; L101-I105 WeakPolarHBondContact O-CG1 3.24Å; L101-I105 PolarHBondContact O-N 2.84Å; L101-L120 HydrophobicContact CD1-CD2 3.96Å; L101-L123 HydrophobicContact CD1-CD2 3.32Å
102D92.6Very high87.1Confident104 Ų10483.8 Ų83.856%0.55644%0.437SS*.Hα-helixtrans-62.2-44.9174.6-71.5-31.9000112D98 Y104 I105 A106D98-D102 PolarHBondContact O-N 2.73Å; D102-Y104 PolarHBondContact O-N 2.81Å; D102-I105 PolarHBondContact O-N 2.86Å; D102-A106 WeakPolarHBondContact O-CB 3.3Å; D102-A106 PolarHBondContact O-N 3.44Å
103E94.1Very high87.2Confident120 Ų12082 Ų8256%0.56144%0.436SS*.Hα-helixtrans-58.2-45.6174.1-177.3178.1-16100111.6A99 A106 I107A99-E103 WeakPolarHBondContact O-CB 3.43Å; A99-E103 PolarHBondContact O-N 3.21Å; A99-E103 VanDerWaalsContact O-N 3.13Å; E103-A106 PolarHBondContact O-N 2.87Å; E103-I107 HydrophobicContact CG-CD1 4.12Å; E103-I107 VanDerWaalsContact O-CG1 3.32Å; E103-I107 WeakPolarHBondContact O-CG1 3.16Å; E103-I107 PolarHBondContact O-N 3.35Å
104Y93.9Very high87.5Confident2 Ų276.5 Ų76.51%0.00841%0.414CS..Hα-helixtrans-61.8-45.8175.4165.3-95.5000112.7K100 L101 D102 A106 I107 A108 A119 L123 I130 S133 L134 L137K100-Y104 WeakPolarHBondContact O-CB 3.36Å; K100-Y104 PolarHBondContact O-N 3.29Å; K100-Y104 VanDerWaalsContact O-N 3.09Å; L101-Y104 HydrophobicContact CD1-CD1 4.47Å; L101-Y104 PolarHBondContact O-N 3.34Å; D102-Y104 PolarHBondContact O-N 2.81Å; Y104-A106 VanDerWaalsContact C-N 3.32Å; Y104-A106 PolarHBondContact O-N 3.27Å; Y104-I107 PolarHBondContact O-N 3.28Å; Y104-A108 WeakPolarHBondContact O-CB 3.32Å; Y104-A108 PolarHBondContact O-N 3.37Å; Y104-A119 HydrophobicContact CE1-CB 4.13Å; Y104-A119 WeakPolarHBondContact CE1-O 3.4Å; Y104-A119 PolarHBondContact OH-O 2.73Å; Y104-L123 HydrophobicContact CD1-CD2 3.89Å; Y104-L123 HydrophobicContact CE1-CB 3.76Å; Y104-L123 HydrophobicContact CE1-CD2 3.94Å; Y104-L123 HydrophobicContact CE1-CG 4.33Å; Y104-I130 HydrophobicContact CD2-CG2 3.92Å; Y104-I130 HydrophobicContact CG-CG2 4.33Å; Y104-S133 PolarHBondContact OH-OG 3.49Å; Y104-L134 HydrophobicContact CD2-CD2 3.61Å; Y104-L134 HydrophobicContact CD2-CG 3.87Å; Y104-L134 HydrophobicContact CE2-CD2 3.94Å; Y104-L134 HydrophobicContact CE2-CG 4.2Å; Y104-L137 HydrophobicContact CE2-CD1 4.23Å
105I92.6Very high88Confident27 Ų2771 Ų7114%0.13839%0.392CS..Hα-helixtrans-63.6-39.8177.9-68.5163.5000110.5L101 D102 A108 K109 V116 L120L101-I105 HydrophobicContact CD1-CD1 4.27Å; L101-I105 HydrophobicContact CG-CD1 3.98Å; L101-I105 VanDerWaalsContact O-CG1 3.26Å; L101-I105 WeakPolarHBondContact O-CG1 3.24Å; L101-I105 PolarHBondContact O-N 2.84Å; D102-I105 PolarHBondContact O-N 2.86Å; I105-A108 PolarHBondContact O-N 2.86Å; I105-K109 VanDerWaalsContact O-CB 3.27Å; I105-K109 WeakPolarHBondContact O-CB 3.5Å; I105-K109 PolarHBondContact O-N 3.08Å; I105-V116 HydrophobicContact CD1-CG1 4.43Å; I105-V116 HydrophobicContact CG2-CG1 4.24Å; I105-V116 HydrophobicContact CG2-CG2 4.16Å; I105-L120 HydrophobicContact CD1-CD2 4.04Å; I105-L120 HydrophobicContact CG1-CD2 4.5Å
106A93.2Very high88.5Confident51 Ų5170.4 Ų70.442%0.42138%0.384SS..Hα-helixtrans-61.9-46.1175.800000111.6D102 E103 Y104 K109 E110D102-A106 WeakPolarHBondContact O-CB 3.3Å; D102-A106 PolarHBondContact O-N 3.44Å; E103-A106 PolarHBondContact O-N 2.87Å; Y104-A106 VanDerWaalsContact C-N 3.32Å; Y104-A106 PolarHBondContact O-N 3.27Å; A106-K109 PolarHBondContact O-N 2.98Å; A106-E110 VanDerWaalsContact O-CB 3.23Å; A106-E110 WeakPolarHBondContact O-CB 3.24Å; A106-E110 PolarHBondContact O-N 3.31Å
107I91.4Very high88.7Confident55 Ų5576.3 Ų76.328%0.28241%0.411SS..Hα-helixtrans-62.1-47.7176.3-67.3162.6000111.1E103 Y104 K109 K111 L134E103-I107 HydrophobicContact CG-CD1 4.12Å; E103-I107 VanDerWaalsContact O-CG1 3.32Å; E103-I107 WeakPolarHBondContact O-CG1 3.16Å; E103-I107 PolarHBondContact O-N 3.35Å; Y104-I107 PolarHBondContact O-N 3.28Å; I107-K109 VanDerWaalsContact C-N 3.31Å; I107-K109 PolarHBondContact O-N 3.26Å; I107-K111 HydrophobicContact CG2-CG 4.22Å; I107-K111 WeakPolarHBondContact O-CB 3.5Å; I107-K111 PolarHBondContact O-N 3.05Å; I107-L134 HydrophobicContact CB-CD2 4.21Å; I107-L134 HydrophobicContact CD1-CD2 4.45Å; I107-L134 HydrophobicContact CG2-CD2 3.7Å
108A89.6Confident88.6Confident0 Ų076.1 Ų76.10%040%0.404CS..Hα-helixtrans-60.1-40.7179.700000112.5Y104 I105 H112 G113 Y114 A119 L137Y104-A108 WeakPolarHBondContact O-CB 3.32Å; Y104-A108 PolarHBondContact O-N 3.37Å; I105-A108 PolarHBondContact O-N 2.86Å; A108-H112 CarbonylContact O-C 3.35Å; A108-H112 WeakPolarHBondContact O-CA 3.4Å; A108-H112 WeakPolarHBondContact O-CB 3.41Å; A108-H112 PolarHBondContact O-N 3.49Å; A108-G113 PolarHBondContact O-N 3Å; A108-Y114 HydrophobicContact CB-CG 4.47Å; A108-Y114 PolarHBondContact O-N 2.92Å; A108-A119 HydrophobicContact CB-CB 3.73Å; A108-L137 HydrophobicContact CB-CD1 3.72Å; A108-L137 HydrophobicContact CB-CD2 3.96Å
109K87.6Confident88.8Confident136 Ų13670.3 Ų70.359%0.59137%0.373SS*.Hα-helixtrans-74-49.3178.4-175-178.2177.1-173.60112.9I105 A106 I107 G113 Y114I105-K109 VanDerWaalsContact O-CB 3.27Å; I105-K109 WeakPolarHBondContact O-CB 3.5Å; I105-K109 PolarHBondContact O-N 3.08Å; A106-K109 PolarHBondContact O-N 2.98Å; I107-K109 VanDerWaalsContact C-N 3.31Å; I107-K109 PolarHBondContact O-N 3.26Å; K109-G113 WeakPolarHBondContact O-CA 3.38Å; K109-G113 PolarHBondContact O-N 2.94Å; K109-G113 VanDerWaalsContact O-N 3.15Å; K109-Y114 WeakPolarHBondContact CA-O 3.36Å
110E87.3Confident88.7Confident143 Ų14368 Ų6867%0.66835%0.35SS*.Hα-helixtrans-78-39.8-172.4-163.6-158.2118.500112.8A106A106-E110 VanDerWaalsContact O-CB 3.23Å; A106-E110 WeakPolarHBondContact O-CB 3.24Å; A106-E110 PolarHBondContact O-N 3.31Å
111K83.8Confident88.7Confident132 Ų13263.1 Ų63.157%0.57433%0.334SS*.Hα-helixtrans-92.6-24.9-175.8-53.6-51.5-173.9-166.10113.6I107I107-K111 HydrophobicContact CG2-CG 4.22Å; I107-K111 WeakPolarHBondContact O-CB 3.5Å; I107-K111 PolarHBondContact O-N 3.05Å
112H80.8Confident88.6Confident46 Ų4663 Ų6321%0.21333%0.333CS..Hα-helixtrans-129.42.3-172-54.6-73.5000114.4A108 Y114 L137A108-H112 CarbonylContact O-C 3.35Å; A108-H112 WeakPolarHBondContact O-CA 3.4Å; A108-H112 WeakPolarHBondContact O-CB 3.41Å; A108-H112 PolarHBondContact O-N 3.49Å; H112-Y114 HydrophobicContact CB-CD2 3.56Å; H112-Y114 HydrophobicContact CB-CE2 3.69Å; H112-Y114 WeakPolarHBondContact O-CD2 3.32Å; H112-Y114 PolarHBondContact O-N 3.49Å; H112-L137 HydrophobicContact CB-CB 4.43Å
113G79.1Confident88.6Confident59 Ų5958 Ų5861%0.60831%0.306SS*.  trans68.914.7174.100000115.6A108 K109A108-G113 PolarHBondContact O-N 3Å; K109-G113 WeakPolarHBondContact O-CA 3.38Å; K109-G113 PolarHBondContact O-N 2.94Å; K109-G113 VanDerWaalsContact O-N 3.15Å
114Y84.4Confident88.5Confident7 Ų755.1 Ų55.13%0.02729%0.292CS..  trans-69.9140.1178.8-77.9-117.3000111A108 K109 H112 Q118 M122 L137 F140 T141A108-Y114 HydrophobicContact CB-CG 4.47Å; A108-Y114 PolarHBondContact O-N 2.92Å; K109-Y114 WeakPolarHBondContact CA-O 3.36Å; H112-Y114 HydrophobicContact CB-CD2 3.56Å; H112-Y114 HydrophobicContact CB-CE2 3.69Å; H112-Y114 WeakPolarHBondContact O-CD2 3.32Å; H112-Y114 PolarHBondContact O-N 3.49Å; Y114-Q118 HydrophobicContact CD1-CB 3.74Å; Y114-M122 HydrophobicContact CE1-CE 3.95Å; Y114-L137 HydrophobicContact CD1-CD2 3.91Å; Y114-L137 HydrophobicContact CD2-CD2 3.9Å; Y114-L137 HydrophobicContact CE1-CD2 3.65Å; Y114-L137 HydrophobicContact CE2-CB 4.26Å; Y114-L137 HydrophobicContact CE2-CD2 3.61Å; Y114-L137 WeakPolarHBondContact CE2-O 3.41Å; Y114-L137 HydrophobicContact CG-CD2 4.05Å; Y114-L137 VanDerWaalsContact CZ-CD2 3.48Å; Y114-L137 PolarHBondContact OH-O 3.28Å; Y114-F140 WeakPolarHBondContact OH-CB 3.06Å; Y114-F140 PolarHBondContact OH-O 3.32Å; Y114-F140 VanDerWaalsContact OH-O 3.06Å; Y114-T141 PolarHBondContact OH-N 2.87Å
115N85.3Confident88.2Confident76 Ų7664.9 Ų64.941%0.40633%0.329SS..  trans-74.3163.9162.785.139.8000110.6E117 Q118 A119N115-E117 VanDerWaalsContact C-N 3.34Å; N115-E117 PolarHBondContact O-N 3.12Å; N115-E117 WeakPolarHBondContact OD1-CA 3.49Å; N115-E117 WeakPolarHBondContact OD1-CB 3.32Å; N115-E117 PolarHBondContact OD1-N 3.32Å; N115-Q118 VanDerWaalsContact CG-OE1 3.3Å; N115-Q118 VanDerWaalsContact ND2-CD 3.32Å; N115-Q118 PolarHBondContact ND2-OE1 2.99Å; N115-Q118 PolarHBondContact O-N 3.04Å; N115-Q118 WeakPolarHBondContact OD1-CG 3.39Å; N115-Q118 PolarHBondContact OD1-N 3.38Å; N115-A119 PolarHBondContact O-N 3.12Å
116V88.8Confident88.1Confident70 Ų7065.1 Ų65.142%0.42433%0.329SS..Hα-helixtrans-62.6-39.4-173.5-177.50000112.2I105 A119 L120I105-V116 HydrophobicContact CD1-CG1 4.43Å; I105-V116 HydrophobicContact CG2-CG1 4.24Å; I105-V116 HydrophobicContact CG2-CG2 4.16Å; V116-A119 PolarHBondContact O-N 3.24Å; V116-L120 HydrophobicContact CG1-CD1 4.11Å; V116-L120 HydrophobicContact CG1-CG 4.43Å; V116-L120 WeakPolarHBondContact O-CB 3.29Å; V116-L120 VanDerWaalsContact O-CG 3.29Å; V116-L120 WeakPolarHBondContact O-CG 3.31Å; V116-L120 PolarHBondContact O-N 2.88Å
117E88.3Confident88Confident144 Ų14471.3 Ų71.367%0.67335%0.347SS*.Hα-helixtrans-68.3-35.9178.3-60.5178.3174.600111.9N115 G121N115-E117 VanDerWaalsContact C-N 3.34Å; N115-E117 PolarHBondContact O-N 3.12Å; N115-E117 WeakPolarHBondContact OD1-CA 3.49Å; N115-E117 WeakPolarHBondContact OD1-CB 3.32Å; N115-E117 PolarHBondContact OD1-N 3.32Å; E117-G121 PolarHBondContact O-N 3.03Å
118Q87Confident87.9Confident75 Ų7569.7 Ų69.735%0.3534%0.338SS..Hα-helixtrans-69-40.2174.2-68168.3-36.900111.9Y114 N115 G121 M122Y114-Q118 HydrophobicContact CD1-CB 3.74Å; N115-Q118 VanDerWaalsContact CG-OE1 3.3Å; N115-Q118 VanDerWaalsContact ND2-CD 3.32Å; N115-Q118 PolarHBondContact ND2-OE1 2.99Å; N115-Q118 PolarHBondContact O-N 3.04Å; N115-Q118 WeakPolarHBondContact OD1-CG 3.39Å; N115-Q118 PolarHBondContact OD1-N 3.38Å; Q118-G121 PolarHBondContact O-N 3.1Å; Q118-M122 WeakPolarHBondContact O-CB 3.28Å; Q118-M122 PolarHBondContact O-N 3.39Å
119A90.2Very high88Confident1 Ų172.1 Ų72.11%0.00835%0.351CS..Hα-helixtrans-64.4-47.2175.500000111Y104 A108 N115 V116 G121 M122 L123Y104-A119 HydrophobicContact CE1-CB 4.13Å; Y104-A119 WeakPolarHBondContact CE1-O 3.4Å; Y104-A119 PolarHBondContact OH-O 2.73Å; A108-A119 HydrophobicContact CB-CB 3.73Å; N115-A119 PolarHBondContact O-N 3.12Å; V116-A119 PolarHBondContact O-N 3.24Å; A119-G121 VanDerWaalsContact C-N 3.33Å; A119-G121 PolarHBondContact O-N 3.48Å; A119-M122 PolarHBondContact O-N 3.38Å; A119-L123 WeakPolarHBondContact O-CB 3.37Å; A119-L123 PolarHBondContact O-N 2.71Å
120L90.9Very high88.1Confident29 Ų2967.4 Ų67.415%0.15233%0.332CS..Hα-helixtrans-62.1-39.9173.4-68.1176.3000111.9W90 L101 I105 V116 L123 F124W90-L120 HydrophobicContact CB-CB 4.28Å; W90-L120 HydrophobicContact CD2-CB 4.01Å; W90-L120 HydrophobicContact CD2-CD1 4.4Å; W90-L120 HydrophobicContact CD2-CD2 3.9Å; W90-L120 HydrophobicContact CD2-CG 4.32Å; W90-L120 HydrophobicContact CE3-CB 3.79Å; W90-L120 HydrophobicContact CE3-CD2 3.83Å; W90-L120 HydrophobicContact CE3-CG 4.35Å; W90-L120 HydrophobicContact CG-CB 4.23Å; W90-L120 HydrophobicContact CG-CD1 4.32Å; W90-L120 HydrophobicContact CH2-CD2 3.83Å; W90-L120 HydrophobicContact CZ2-CD2 3.9Å; W90-L120 HydrophobicContact CZ3-CB 4.43Å; W90-L120 HydrophobicContact CZ3-CD2 3.8Å; L101-L120 HydrophobicContact CD1-CD2 3.96Å; I105-L120 HydrophobicContact CD1-CD2 4.04Å; I105-L120 HydrophobicContact CG1-CD2 4.5Å; V116-L120 HydrophobicContact CG1-CD1 4.11Å; V116-L120 HydrophobicContact CG1-CG 4.43Å; V116-L120 WeakPolarHBondContact O-CB 3.29Å; V116-L120 VanDerWaalsContact O-CG 3.29Å; V116-L120 WeakPolarHBondContact O-CG 3.31Å; V116-L120 PolarHBondContact O-N 2.88Å; L120-L123 PolarHBondContact O-N 2.94Å; L120-F124 WeakPolarHBondContact O-CB 3.44Å; L120-F124 PolarHBondContact O-N 2.73Å
121G90.1Very high88.3Confident19 Ų1968 Ų6820%0.19634%0.335CS..Hα-helixtrans-57.3-46.9173.400000113.5V89 E117 Q118 A119 F124 W125V89-G121 WeakPolarHBondContact O-CA 3.18Å; V89-G121 PolarHBondContact O-N 2.93Å; E117-G121 PolarHBondContact O-N 3.03Å; Q118-G121 PolarHBondContact O-N 3.1Å; A119-G121 VanDerWaalsContact C-N 3.33Å; A119-G121 PolarHBondContact O-N 3.48Å; G121-F124 PolarHBondContact O-N 3.21Å; G121-W125 WeakPolarHBondContact O-CB 3.47Å; G121-W125 PolarHBondContact O-N 2.85Å
122M90.3Very high88.5Confident26 Ų2667.9 Ų67.913%0.12833%0.334CS..Hα-helixtrans-64.2-45.6175.4-163.761.367.900110.7Y114 Q118 A119 F124 W125 H126 S133 L137 F140Y114-M122 HydrophobicContact CE1-CE 3.95Å; Q118-M122 WeakPolarHBondContact O-CB 3.28Å; Q118-M122 PolarHBondContact O-N 3.39Å; A119-M122 PolarHBondContact O-N 3.38Å; M122-F124 VanDerWaalsContact C-N 3.34Å; M122-F124 PolarHBondContact O-N 2.94Å; M122-W125 WeakPolarHBondContact O-CB 3.41Å; M122-W125 PolarHBondContact O-N 3.45Å; M122-H126 PolarHBondContact O-CD2 3.43Å; M122-H126 PolarHBondContact O-N 2.87Å; M122-S133 WeakPolarHBondContact CG-OG 3.45Å; M122-L137 HydrophobicContact CG-CD2 4.31Å; M122-F140 HydrophobicContact CE-CB 3.53Å; M122-F140 HydrophobicContact CE-CD2 4.05Å; M122-F140 HydrophobicContact CE-CG 3.96Å; M122-F140 HydrophobicContact SD-CD2 4.26Å
123L92Very high89Confident0 Ų065.7 Ų65.70%032%0.324CS..Hα-helixtrans-63.2-38.6178.5-175.758.5000112.7W90 I96 L101 Y104 A119 L120 H126 K127 H128 I130 S133W90-L123 HydrophobicContact CH2-CD2 3.93Å; W90-L123 HydrophobicContact CH2-CG 4.49Å; W90-L123 HydrophobicContact CZ3-CB 4.17Å; W90-L123 HydrophobicContact CZ3-CD2 3.87Å; W90-L123 HydrophobicContact CZ3-CG 4.02Å; I96-L123 HydrophobicContact CD1-CD1 4.37Å; I96-L123 HydrophobicContact CD1-CD2 3.89Å; I96-L123 HydrophobicContact CD1-CG 4.42Å; L101-L123 HydrophobicContact CD1-CD2 3.32Å; Y104-L123 HydrophobicContact CD1-CD2 3.89Å; Y104-L123 HydrophobicContact CE1-CB 3.76Å; Y104-L123 HydrophobicContact CE1-CD2 3.94Å; Y104-L123 HydrophobicContact CE1-CG 4.33Å; A119-L123 WeakPolarHBondContact O-CB 3.37Å; A119-L123 PolarHBondContact O-N 2.71Å; L120-L123 PolarHBondContact O-N 2.94Å; L123-H126 PolarHBondContact O-N 2.75Å; L123-K127 PolarHBondContact O-N 3.02Å; L123-H128 WeakPolarHBondContact O-CA 3.43Å; L123-H128 PolarHBondContact O-N 3.09Å; L123-I130 HydrophobicContact CD1-CG1 3.94Å; L123-S133 PolarHBondContact N-OG 3.35Å
124F91.4Very high89.5Confident60 Ų6065.4 Ų65.426%0.26331%0.308SS..Hα-helixtrans-64.1-44.5173.9-178.9-117.2000111.8L88 V89 W90 S91 L120 G121 M122 H126 K127 H128L88-F124 HydrophobicContact CD2-CE1 4.24Å; L88-F124 HydrophobicContact CD2-CZ 3.74Å; L88-F124 HydrophobicContact CG-CE1 4.04Å; L88-F124 HydrophobicContact CG-CZ 3.98Å; L88-F124 WeakPolarHBondContact O-CD1 3.5Å; L88-F124 WeakPolarHBondContact O-CE1 3.38Å; V89-F124 WeakPolarHBondContact O-CB 3.24Å; W90-F124 HydrophobicContact CE3-CB 4.14Å; S91-F124 WeakPolarHBondContact OG-CE2 3.37Å; L120-F124 WeakPolarHBondContact O-CB 3.44Å; L120-F124 PolarHBondContact O-N 2.73Å; G121-F124 PolarHBondContact O-N 3.21Å; M122-F124 VanDerWaalsContact C-N 3.34Å; M122-F124 PolarHBondContact O-N 2.94Å; F124-H126 VanDerWaalsContact C-N 3.29Å; F124-H126 PolarHBondContact O-N 3.09Å; F124-K127 WeakPolarHBondContact O-CA 3.23Å; F124-K127 PolarHBondContact O-N 2.9Å; F124-H128 AromaticContact CD2-CE1 3.68Å
125W89.1Confident89.8Confident207 Ų20768.1 Ų68.178%0.78433%0.332SS*.Hα-helixtrans-57-41.1175-173.6-86.5000112.3G121 M122 K127G121-W125 WeakPolarHBondContact O-CB 3.47Å; G121-W125 PolarHBondContact O-N 2.85Å; M122-W125 WeakPolarHBondContact O-CB 3.41Å; M122-W125 PolarHBondContact O-N 3.45Å; W125-K127 PolarHBondContact O-N 2.99Å
126H90.6Very high89.8Confident31 Ų3166.9 Ų66.914%0.14433%0.325CS..THydrogen-bonded Turntrans-79.514.3174.7-71.4-80.2000114.4M122 L123 F124 H128 N129 K132 D136M122-H126 PolarHBondContact O-CD2 3.43Å; M122-H126 PolarHBondContact O-N 2.87Å; L123-H126 PolarHBondContact O-N 2.75Å; F124-H126 VanDerWaalsContact C-N 3.29Å; F124-H126 PolarHBondContact O-N 3.09Å; H126-H128 VanDerWaalsContact C-N 3.33Å; H126-H128 PolarHBondContact O-N 2.91Å; H126-N129 WeakPolarHBondContact O-CB 3.37Å; H126-N129 PolarHBondContact O-N 2.79Å; H126-K132 HydrophobicContact CB-CB 4.42Å; H126-D136 IonicContact CE1-OD2 2.75Å; H126-D136 PolarHBondContact CE1-OD2 3.32Å; H126-D136 IonicContact NE2-OD2 2.93Å
127K89.6Confident89.7Confident181 Ų18163.5 Ų63.579%0.78731%0.305SS*.THydrogen-bonded Turntrans53.148.1-178.1-55.6-173.6-179-172.80112.4L123 F124 W125 N129L123-K127 PolarHBondContact O-N 3.02Å; F124-K127 WeakPolarHBondContact O-CA 3.23Å; F124-K127 PolarHBondContact O-N 2.9Å; W125-K127 PolarHBondContact O-N 2.99Å; K127-N129 PolarHBondContact O-N 3.46Å
128H90.8Very high89.3Confident21 Ų2159.9 Ų59.910%0.09729%0.294CS..THydrogen-bonded Turntrans61.224.1178.3-56.491.7000114.1W90 S91 Y93 I96 L123 F124 H126W90-H128 AromaticContact CE3-NE2 3.94Å; W90-H128 AromaticContact CH2-CD2 3.49Å; W90-H128 VanDerWaalsContact CH2-CD2 3.49Å; W90-H128 WeakPolarHBondContact CH2-CD2 3.38Å; W90-H128 AromaticContact CH2-NE2 3.72Å; W90-H128 AromaticContact CZ3-CD2 3.45Å; W90-H128 VanDerWaalsContact CZ3-CD2 3.45Å; W90-H128 WeakPolarHBondContact CZ3-CD2 3.31Å; W90-H128 AromaticContact CZ3-NE2 3.49Å; W90-H128 WeakPolarHBondContact CZ3-NE2 3.45Å; S91-H128 PolarHBondContact O-NE2 2.93Å; Y93-H128 WeakPolarHBondContact CB-CD2 3.35Å; Y93-H128 WeakPolarHBondContact CB-NE2 3.32Å; Y93-H128 HydrophobicContact CD1-CB 3.36Å; Y93-H128 AromaticContact CD1-CG 3.62Å; Y93-H128 AromaticContact CD1-ND1 3.99Å; Y93-H128 HydrophobicContact CE1-CB 3.9Å; Y93-H128 HydrophobicContact CG-CB 4Å; Y93-H128 AromaticContact CG-CG 3.7Å; Y93-H128 AromaticContact CG-ND1 3.75Å; I96-H128 HydrophobicContact CD1-CB 3.96Å; I96-H128 WeakPolarHBondContact CD1-O 3.42Å; L123-H128 WeakPolarHBondContact O-CA 3.43Å; L123-H128 PolarHBondContact O-N 3.09Å; F124-H128 AromaticContact CD2-CE1 3.68Å; H126-H128 VanDerWaalsContact C-N 3.33Å; H126-H128 PolarHBondContact O-N 2.91Å
129N90Very high88.9Confident51 Ų5161.7 Ų61.727%0.27331%0.306SS..  trans-92.1103.6172-172.8-81.8000111H126 K127 E131 K132 S133H126-N129 WeakPolarHBondContact O-CB 3.37Å; H126-N129 PolarHBondContact O-N 2.79Å; K127-N129 PolarHBondContact O-N 3.46Å; N129-E131 PolarHBondContact O-N 3.09Å; N129-E131 PolarHBondContact OD1-N 2.89Å; N129-K132 HydrophobicContact CB-CB 4.44Å; N129-K132 HydrophobicContact CB-CD 4.3Å; N129-K132 VanDerWaalsContact OD1-CB 3.31Å; N129-K132 WeakPolarHBondContact OD1-CB 3.44Å; N129-K132 WeakPolarHBondContact OD1-CG 3.43Å; N129-K132 PolarHBondContact OD1-N 2.82Å; N129-S133 WeakPolarHBondContact O-CB 3.48Å; N129-S133 PolarHBondContact O-N 2.8Å; N129-S133 VanDerWaalsContact O-N 3.12Å
130I90.8Very high88Confident37 Ų3767.5 Ų67.519%0.1933%0.331CS..Hα-helixtrans-57.8-47.5-178.3-64.4175.8000111.7I96 K100 Y104 L123 K132 S133 L134I96-I130 HydrophobicContact CD1-CD1 4.28Å; I96-I130 HydrophobicContact CD1-CG1 4.15Å; I96-I130 HydrophobicContact CG2-CD1 3.97Å; K100-I130 HydrophobicContact CB-CD1 4.04Å; Y104-I130 HydrophobicContact CD2-CG2 3.92Å; Y104-I130 HydrophobicContact CG-CG2 4.33Å; L123-I130 HydrophobicContact CD1-CG1 3.94Å; I130-K132 PolarHBondContact O-N 3.18Å; I130-S133 WeakPolarHBondContact O-CB 3.28Å; I130-S133 PolarHBondContact O-N 3.07Å; I130-L134 HydrophobicContact CG2-CD1 3.79Å; I130-L134 HydrophobicContact CG2-CG 4.09Å; I130-L134 WeakPolarHBondContact O-CB 3.44Å; I130-L134 WeakPolarHBondContact O-CG 3.48Å; I130-L134 PolarHBondContact O-N 3.31Å
131E90.4Very high86.7Confident156 Ų15669.3 Ų69.373%0.72934%0.344SS*.Hα-helixtrans-60.4-45.1-174.5-65.2164.2-175.600112.7N129 A135N129-E131 PolarHBondContact O-N 3.09Å; N129-E131 PolarHBondContact OD1-N 2.89Å; E131-A135 PolarHBondContact O-N 3.28Å; E131-A135 VanDerWaalsContact O-N 3.12Å
132K89.2Confident85.1Confident129 Ų12970.3 Ų70.356%0.56135%0.347SS*.Hα-helixtrans-68.2-40.4175.8-70.3171.1-173.4178.10111.6H126 N129 I130 A135 D136H126-K132 HydrophobicContact CB-CB 4.42Å; N129-K132 HydrophobicContact CB-CB 4.44Å; N129-K132 HydrophobicContact CB-CD 4.3Å; N129-K132 VanDerWaalsContact OD1-CB 3.31Å; N129-K132 WeakPolarHBondContact OD1-CB 3.44Å; N129-K132 WeakPolarHBondContact OD1-CG 3.43Å; N129-K132 PolarHBondContact OD1-N 2.82Å; I130-K132 PolarHBondContact O-N 3.18Å; K132-A135 PolarHBondContact O-N 2.93Å; K132-D136 PolarHBondContact O-N 3.09Å
133S91.6Very high83Confident0 Ų077.9 Ų77.90%038%0.379CS..Hα-helixtrans-61.8-46.8177.1-161.40000111.3Y104 M122 L123 N129 I130 A135 D136 L137Y104-S133 PolarHBondContact OH-OG 3.49Å; M122-S133 WeakPolarHBondContact CG-OG 3.45Å; L123-S133 PolarHBondContact N-OG 3.35Å; N129-S133 WeakPolarHBondContact O-CB 3.48Å; N129-S133 PolarHBondContact O-N 2.8Å; N129-S133 VanDerWaalsContact O-N 3.12Å; I130-S133 WeakPolarHBondContact O-CB 3.28Å; I130-S133 PolarHBondContact O-N 3.07Å; S133-A135 VanDerWaalsContact C-N 3.3Å; S133-A135 PolarHBondContact O-N 2.85Å; S133-D136 PolarHBondContact O-N 3.17Å; S133-D136 VanDerWaalsContact O-N 3.16Å; S133-L137 WeakPolarHBondContact O-CG 3.13Å; S133-L137 PolarHBondContact O-N 3Å
134L89.6Confident81.3Confident54 Ų5481.9 Ų81.928%0.28341%0.405SS..Hα-helixtrans-58.9-37.6174.6-72.8177.2000113Y104 I107 I130 D136 L137Y104-L134 HydrophobicContact CD2-CD2 3.61Å; Y104-L134 HydrophobicContact CD2-CG 3.87Å; Y104-L134 HydrophobicContact CE2-CD2 3.94Å; Y104-L134 HydrophobicContact CE2-CG 4.2Å; I107-L134 HydrophobicContact CB-CD2 4.21Å; I107-L134 HydrophobicContact CD1-CD2 4.45Å; I107-L134 HydrophobicContact CG2-CD2 3.7Å; I130-L134 HydrophobicContact CG2-CD1 3.79Å; I130-L134 HydrophobicContact CG2-CG 4.09Å; I130-L134 WeakPolarHBondContact O-CB 3.44Å; I130-L134 WeakPolarHBondContact O-CG 3.48Å; I130-L134 PolarHBondContact O-N 3.31Å; L134-D136 VanDerWaalsContact C-N 3.31Å; L134-D136 PolarHBondContact O-N 3.41Å; L134-L137 HydrophobicContact CD2-CD1 3.76Å
135A89.3Confident79.8Confident64 Ų6484.9 Ų84.953%0.52942%0.424SS..Hα-helixtrans-68.4-28.2178.200000113.4E131 K132 S133E131-A135 PolarHBondContact O-N 3.28Å; E131-A135 VanDerWaalsContact O-N 3.12Å; K132-A135 PolarHBondContact O-N 2.93Å; S133-A135 VanDerWaalsContact C-N 3.3Å; S133-A135 PolarHBondContact O-N 2.85Å
136D86.7Confident79Confident49 Ų4982.2 Ų82.226%0.26242%0.42SS..Hα-helixtrans-99.7-11.4-179.4-85.5-47.6000114.4H126 K132 S133 L134 P138 N139 F140H126-D136 IonicContact CE1-OD2 2.75Å; H126-D136 PolarHBondContact CE1-OD2 3.32Å; H126-D136 IonicContact NE2-OD2 2.93Å; K132-D136 PolarHBondContact O-N 3.09Å; S133-D136 PolarHBondContact O-N 3.17Å; S133-D136 VanDerWaalsContact O-N 3.16Å; L134-D136 VanDerWaalsContact C-N 3.31Å; L134-D136 PolarHBondContact O-N 3.41Å; D136-P138 VanDerWaalsContact C-CD 3.42Å; D136-P138 VanDerWaalsContact C-N 3.33Å; D136-N139 WeakPolarHBondContact O-CB 3.42Å; D136-N139 PolarHBondContact O-N 3.43Å; D136-N139 PolarHBondContact OD1-ND2 3.17Å; D136-F140 HydrophobicContact CB-CD2 4.09Å; D136-F140 HydrophobicContact CB-CE2 4.14Å; D136-F140 WeakPolarHBondContact O-CD2 3.44Å; D136-F140 PolarHBondContact O-N 2.89Å; D136-F140 VanDerWaalsContact O-N 3.16Å
137L85.4Confident78.5Confident0 Ų082.6 Ų82.60%042%0.421CS..THydrogen-bonded Turntrans-50.1-42.8170.3-74.6175.6000113.7Y104 A108 H112 Y114 M122 S133 L134 N139 T141Y104-L137 HydrophobicContact CE2-CD1 4.23Å; A108-L137 HydrophobicContact CB-CD1 3.72Å; A108-L137 HydrophobicContact CB-CD2 3.96Å; H112-L137 HydrophobicContact CB-CB 4.43Å; Y114-L137 HydrophobicContact CD1-CD2 3.91Å; Y114-L137 HydrophobicContact CD2-CD2 3.9Å; Y114-L137 HydrophobicContact CE1-CD2 3.65Å; Y114-L137 HydrophobicContact CE2-CB 4.26Å; Y114-L137 HydrophobicContact CE2-CD2 3.61Å; Y114-L137 WeakPolarHBondContact CE2-O 3.41Å; Y114-L137 HydrophobicContact CG-CD2 4.05Å; Y114-L137 VanDerWaalsContact CZ-CD2 3.48Å; Y114-L137 PolarHBondContact OH-O 3.28Å; M122-L137 HydrophobicContact CG-CD2 4.31Å; S133-L137 WeakPolarHBondContact O-CG 3.13Å; S133-L137 PolarHBondContact O-N 3Å; L134-L137 HydrophobicContact CD2-CD1 3.76Å; L137-N139 VanDerWaalsContact C-N 3.32Å; L137-N139 PolarHBondContact O-N 3.31Å; L137-T141 PolarHBondContact O-N 3.36Å; L137-T141 PolarHBondContact O-OG1 3Å
138P81.3Confident78.1Confident68 Ų6876.8 Ų76.844%0.44240%0.4SS..THydrogen-bonded Turntrans-63.5-38.6175.2-1931.4000112.4D136 F140 T141D136-P138 VanDerWaalsContact C-CD 3.42Å; D136-P138 VanDerWaalsContact C-N 3.33Å; P138-F140 VanDerWaalsContact C-N 3.33Å; P138-F140 PolarHBondContact O-N 2.93Å; P138-T141 PolarHBondContact O-OG1 3.17Å
139N77Confident77.5Confident113 Ų11380.4 Ų80.460%0.60442%0.424SS*.THydrogen-bonded Turntrans-71-26.9-174-60.5-30.6000113.2D136 L137D136-N139 WeakPolarHBondContact O-CB 3.42Å; D136-N139 PolarHBondContact O-N 3.43Å; D136-N139 PolarHBondContact OD1-ND2 3.17Å; L137-N139 VanDerWaalsContact C-N 3.32Å; L137-N139 PolarHBondContact O-N 3.31Å
140F72.3Confident77.1Confident122 Ų12283.8 Ų83.854%0.53544%0.438SS..THydrogen-bonded Turntrans-115.516.4-178.9-63.4-73.8000113.6Y114 M122 D136 P138 P142Y114-F140 WeakPolarHBondContact OH-CB 3.06Å; Y114-F140 PolarHBondContact OH-O 3.32Å; Y114-F140 VanDerWaalsContact OH-O 3.06Å; M122-F140 HydrophobicContact CE-CB 3.53Å; M122-F140 HydrophobicContact CE-CD2 4.05Å; M122-F140 HydrophobicContact CE-CG 3.96Å; M122-F140 HydrophobicContact SD-CD2 4.26Å; D136-F140 HydrophobicContact CB-CD2 4.09Å; D136-F140 HydrophobicContact CB-CE2 4.14Å; D136-F140 WeakPolarHBondContact O-CD2 3.44Å; D136-F140 PolarHBondContact O-N 2.89Å; D136-F140 VanDerWaalsContact O-N 3.16Å; P138-F140 VanDerWaalsContact C-N 3.33Å; P138-F140 PolarHBondContact O-N 2.93Å; F140-P142 VanDerWaalsContact O-CD 3.32Å; F140-P142 WeakPolarHBondContact O-CD 3.46Å
141T62.8Low77.1Confident67 Ų6783 Ų8341%0.41143%0.434SS..  trans-51.3111.2-178.6-65.80000109.3Y114 L137 P138 F143Y114-T141 PolarHBondContact OH-N 2.87Å; L137-T141 PolarHBondContact O-N 3.36Å; L137-T141 PolarHBondContact O-OG1 3Å; P138-T141 PolarHBondContact O-OG1 3.17Å; T141-F143 PolarHBondContact O-N 3.11Å
142P56.5Low76.9Confident40 Ų4079.1 Ų79.126%0.2642%0.415SS..  trans-68.8135.7-172.827-33.1000109.5F140 P144F140-P142 VanDerWaalsContact O-CD 3.32Å; F140-P142 WeakPolarHBondContact O-CD 3.46Å; P142-P144 WeakPolarHBondContact O-CD 3.31Å
143F46.3Very low76.9Confident185 Ų18577.5 Ų77.581%0.81142%0.415SS*.  trans-59.2122.7171.7-132.7-90.5000108.2T141 D145T141-F143 PolarHBondContact O-N 3.11Å; F143-D145 PolarHBondContact O-N 3.42Å
144P56.2Low76.9Confident84 Ų8480.8 Ų80.855%0.54543%0.433SS..  trans-69.4107.8-170.924.7-32.8000110.8P142 E146P142-P144 WeakPolarHBondContact O-CD 3.31Å; P144-E146 HydrophobicContact CB-CB 4.5Å; P144-E146 PolarHBondContact O-N 2.91Å; P144-E146 VanDerWaalsContact O-N 3.09Å
145D59.4Low77Confident123 Ų12378.2 Ų78.266%0.65842%0.419SS*.  trans-70.47.2168.1-165.137.9000111.9F143F143-D145 PolarHBondContact O-N 3.42Å
146E72.3Confident77.1Confident152 Ų15278.6 Ų78.671%0.7141%0.41SS*.SBendtrans-70.4153.1171.2-59.5-159.6136.300111.3P144 K176P144-E146 HydrophobicContact CB-CB 4.5Å; P144-E146 PolarHBondContact O-N 2.91Å; P144-E146 VanDerWaalsContact O-N 3.09Å; E146-K176 PolarHBondContact O-NZ 3.17Å
147W80.1Confident77.3Confident38 Ų3880.9 Ų80.914%0.14442%0.419CS..  trans-91.7115.2170-81.170.2000107.7D151 K152 F155 L173 K176 S180 L181 Y184W147-D151 HydrophobicContact CD2-CB 4.41Å; W147-D151 HydrophobicContact CE3-CB 3.64Å; W147-D151 HydrophobicContact CZ3-CB 4.09Å; W147-K152 HydrophobicContact CB-CG 4.26Å; W147-K152 HydrophobicContact CE3-CG 4.16Å; W147-K152 WeakPolarHBondContact O-CE 3.43Å; W147-K152 PolarHBondContact O-NZ 3.4Å; W147-F155 HydrophobicContact CH2-CB 4.09Å; W147-F155 AromaticContact CH2-CD2 3.86Å; W147-F155 HydrophobicContact CH2-CD2 3.86Å; W147-F155 HydrophobicContact CH2-CG 4.14Å; W147-F155 HydrophobicContact CZ3-CB 3.64Å; W147-F155 HydrophobicContact CZ3-CD2 4.28Å; W147-F155 HydrophobicContact CZ3-CG 4.08Å; W147-L173 HydrophobicContact CH2-CD1 4.26Å; W147-L173 HydrophobicContact CZ3-CD1 4.24Å; W147-K176 HydrophobicContact CH2-CG 4.42Å; W147-K176 HydrophobicContact CZ2-CB 4.44Å; W147-K176 HydrophobicContact CZ2-CG 4.32Å; W147-S180 PolarHBondContact NE1-OG 3.02Å; W147-S180 VanDerWaalsContact NE1-OG 3.15Å; W147-L181 HydrophobicContact CH2-CD2 3.73Å; W147-L181 HydrophobicContact CZ2-CD2 4.11Å; W147-Y184 HydrophobicContact CD2-CD1 4.49Å; W147-Y184 AromaticContact CD2-CD2 3.54Å; W147-Y184 HydrophobicContact CD2-CD2 3.54Å; W147-Y184 HydrophobicContact CD2-CE2 4.07Å; W147-Y184 AromaticContact CD2-CG 3.81Å; W147-Y184 HydrophobicContact CD2-CG 3.81Å; W147-Y184 AromaticContact CE2-CD2 3.82Å; W147-Y184 AromaticContact CE2-CG 3.72Å; W147-Y184 HydrophobicContact CE3-CD1 4.12Å; W147-Y184 AromaticContact CE3-CD2 3.81Å; W147-Y184 HydrophobicContact CE3-CD2 3.81Å; W147-Y184 HydrophobicContact CE3-CE1 4.32Å; W147-Y184 HydrophobicContact CE3-CE2 4.02Å; W147-Y184 AromaticContact CE3-CG 3.89Å; W147-Y184 HydrophobicContact CE3-CG 3.89Å; W147-Y184 AromaticContact CG-CD2 3.89Å; W147-Y184 HydrophobicContact CG-CD2 3.89Å; W147-Y184 HydrophobicContact CG-CE2 4.32Å; W147-Y184 AromaticContact CH2-CD1 3.87Å; W147-Y184 HydrophobicContact CH2-CD1 3.87Å; W147-Y184 AromaticContact CH2-CG 3.81Å; W147-Y184 HydrophobicContact CH2-CG 3.81Å; W147-Y184 HydrophobicContact CZ2-CD1 4.27Å; W147-Y184 HydrophobicContact CZ2-CD2 4.31Å; W147-Y184 AromaticContact CZ2-CG 3.73Å; W147-Y184 HydrophobicContact CZ2-CG 3.73Å; W147-Y184 AromaticContact CZ3-CD1 3.81Å; W147-Y184 HydrophobicContact CZ3-CD1 3.81Å; W147-Y184 HydrophobicContact CZ3-CD2 4.3Å; W147-Y184 HydrophobicContact CZ3-CE1 4.18Å; W147-Y184 AromaticContact CZ3-CG 3.9Å; W147-Y184 HydrophobicContact CZ3-CG 3.9Å
148T82.1Confident77.5Confident59 Ų5981 Ų8136%0.36242%0.421SS..  trans-68.5-178175.168.40000110.9E150 D151 K152T148-E150 VanDerWaalsContact C-N 3.35Å; T148-E150 VanDerWaalsContact CB-OE2 3.24Å; T148-E150 WeakPolarHBondContact CB-OE2 3.22Å; T148-E150 PolarHBondContact OG1-N 2.87Å; T148-E150 PolarHBondContact OG1-OE2 3.24Å; T148-D151 WeakPolarHBondContact CG2-OD2 3.2Å; T148-D151 PolarHBondContact N-OD2 3.27Å; T148-D151 WeakPolarHBondContact OG1-CB 3.34Å; T148-D151 PolarHBondContact OG1-N 3.48Å; T148-D151 PolarHBondContact OG1-OD2 2.9Å; T148-D151 VanDerWaalsContact OG1-OD2 3.05Å; T148-K152 WeakPolarHBondContact O-CD 3.49Å; T148-K152 WeakPolarHBondContact O-CE 3.46Å; T148-K152 WeakPolarHBondContact O-CG 3.21Å; T148-K152 PolarHBondContact O-NZ 3.48Å
149V78.4Confident78Confident97 Ų9780 Ų8059%0.58841%0.409SS*.Hα-helixtrans-75.5-37.2173.7179.50000109.4K152 V153V149-K152 PolarHBondContact O-N 3.15Å; V149-V153 WeakPolarHBondContact O-CG2 3.43Å; V149-V153 PolarHBondContact O-N 2.94Å; V149-V153 VanDerWaalsContact O-N 3.1Å
150E81.8Confident78.4Confident123 Ų12378.4 Ų78.458%0.57541%0.407SS*.Hα-helixtrans-61.2-47.9178-5964.8-145.200110.5T148 K152 V153 L154T148-E150 VanDerWaalsContact C-N 3.35Å; T148-E150 VanDerWaalsContact CB-OE2 3.24Å; T148-E150 WeakPolarHBondContact CB-OE2 3.22Å; T148-E150 PolarHBondContact OG1-N 2.87Å; T148-E150 PolarHBondContact OG1-OE2 3.24Å; E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.22Å; E150-V153 PolarHBondContact O-N 3.2Å; E150-L154 WeakPolarHBondContact O-CB 3.43Å; E150-L154 WeakPolarHBondContact O-CG 3.35Å; E150-L154 PolarHBondContact O-N 3.05Å
151D89.5Confident79.1Confident20 Ų2079.6 Ų79.611%0.10741%0.412CS..Hα-helixtrans-55.7-42.8175.3-72.9-40.1000112.1W147 T148 F155 K176W147-D151 HydrophobicContact CD2-CB 4.41Å; W147-D151 HydrophobicContact CE3-CB 3.64Å; W147-D151 HydrophobicContact CZ3-CB 4.09Å; T148-D151 WeakPolarHBondContact CG2-OD2 3.2Å; T148-D151 PolarHBondContact N-OD2 3.27Å; T148-D151 WeakPolarHBondContact OG1-CB 3.34Å; T148-D151 PolarHBondContact OG1-N 3.48Å; T148-D151 PolarHBondContact OG1-OD2 2.9Å; T148-D151 VanDerWaalsContact OG1-OD2 3.05Å; D151-F155 VanDerWaalsContact O-CB 3.31Å; D151-F155 WeakPolarHBondContact O-CB 3.44Å; D151-F155 PolarHBondContact O-N 3.35Å; D151-K176 WeakPolarHBondContact OD1-CE 3.25Å; D151-K176 IonicContact OD1-NZ 3.08Å; D151-K176 WeakPolarHBondContact OD2-CE 3.14Å; D151-K176 IonicContact OD2-NZ 2.74Å; D151-K176 PolarHBondContact OD2-NZ 3.34Å
152K87.6Confident80.4Confident74 Ų7479 Ų7932%0.32241%0.405SS..Hα-helixtrans-69.3-41.2-177-63.7174.3-170.499.70110.9W147 T148 V149 E150 E156 Y184W147-K152 HydrophobicContact CB-CG 4.26Å; W147-K152 HydrophobicContact CE3-CG 4.16Å; W147-K152 WeakPolarHBondContact O-CE 3.43Å; W147-K152 PolarHBondContact O-NZ 3.4Å; T148-K152 WeakPolarHBondContact O-CD 3.49Å; T148-K152 WeakPolarHBondContact O-CE 3.46Å; T148-K152 WeakPolarHBondContact O-CG 3.21Å; T148-K152 PolarHBondContact O-NZ 3.48Å; V149-K152 PolarHBondContact O-N 3.15Å; E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.22Å; K152-E156 WeakPolarHBondContact O-CB 3.43Å; K152-E156 PolarHBondContact O-N 3.01Å; K152-Y184 HydrophobicContact CD-CE2 4.44Å; K152-Y184 HydrophobicContact CG-CE2 3.97Å; K152-Y184 WeakPolarHBondContact CG-OH 3.47Å
153V89.1Confident81.9Confident95 Ų9578.5 Ų78.558%0.57641%0.406SS*.Hα-helixtrans-67.6-44.3175.3174.20000110.9V149 E150 F155 E156 Q157V149-V153 WeakPolarHBondContact O-CG2 3.43Å; V149-V153 PolarHBondContact O-N 2.94Å; V149-V153 VanDerWaalsContact O-N 3.1Å; E150-V153 PolarHBondContact O-N 3.2Å; V153-F155 PolarHBondContact O-N 3.47Å; V153-E156 PolarHBondContact O-N 3.09Å; V153-Q157 WeakPolarHBondContact O-CB 3.37Å; V153-Q157 PolarHBondContact O-N 3.2Å
154L90.3Very high83.9Confident70 Ų7076.3 Ų76.337%0.36640%0.397SS..Hα-helixtrans-60.1-43.3174.7-81.9163.7000112E150 Q157 A158 L173E150-L154 WeakPolarHBondContact O-CB 3.43Å; E150-L154 WeakPolarHBondContact O-CG 3.35Å; E150-L154 PolarHBondContact O-N 3.05Å; L154-Q157 PolarHBondContact O-N 3.45Å; L154-A158 WeakPolarHBondContact O-CB 3.21Å; L154-A158 PolarHBondContact O-N 2.83Å; L154-L173 HydrophobicContact CB-CD1 4.37Å; L154-L173 HydrophobicContact CB-CD2 3.75Å; L154-L173 HydrophobicContact CB-CG 4.13Å; L154-L173 HydrophobicContact CD1-CD2 3.91Å; L154-L173 HydrophobicContact CG-CD2 4.45Å
155F92.3Very high85.6Confident0 Ų075.1 Ų75.10%039%0.39CS..Hα-helixtrans-63.7-45.4175.4175.2-86.2000111.8W147 D151 V153 Q157 A158 F159 F166 I169 L173 L181 Y184 W188W147-F155 HydrophobicContact CH2-CB 4.09Å; W147-F155 AromaticContact CH2-CD2 3.86Å; W147-F155 HydrophobicContact CH2-CD2 3.86Å; W147-F155 HydrophobicContact CH2-CG 4.14Å; W147-F155 HydrophobicContact CZ3-CB 3.64Å; W147-F155 HydrophobicContact CZ3-CD2 4.28Å; W147-F155 HydrophobicContact CZ3-CG 4.08Å; D151-F155 VanDerWaalsContact O-CB 3.31Å; D151-F155 WeakPolarHBondContact O-CB 3.44Å; D151-F155 PolarHBondContact O-N 3.35Å; V153-F155 PolarHBondContact O-N 3.47Å; F155-Q157 PolarHBondContact O-N 2.9Å; F155-A158 PolarHBondContact O-N 3.01Å; F155-F159 HydrophobicContact CE1-CB 4.23Å; F155-F159 HydrophobicContact CE1-CD2 4.38Å; F155-F159 HydrophobicContact CE1-CG 4.45Å; F155-F159 HydrophobicContact CZ-CB 4.47Å; F155-F159 HydrophobicContact CZ-CD2 4.08Å; F155-F159 WeakPolarHBondContact O-CB 3.32Å; F155-F159 PolarHBondContact O-N 2.86Å; F155-F166 HydrophobicContact CE2-CE1 4.34Å; F155-F166 HydrophobicContact CZ-CE1 4.46Å; F155-I169 HydrophobicContact CD2-CG2 3.84Å; F155-I169 HydrophobicContact CE2-CD1 4.13Å; F155-I169 HydrophobicContact CE2-CG2 4.19Å; F155-L173 HydrophobicContact CB-CD1 3.78Å; F155-L173 HydrophobicContact CD2-CD1 4.48Å; F155-L181 HydrophobicContact CD2-CD2 4.11Å; F155-L181 HydrophobicContact CE2-CB 4.46Å; F155-Y184 HydrophobicContact CB-CE1 4.45Å; F155-Y184 AromaticContact CD1-CD1 3.63Å; F155-Y184 HydrophobicContact CD1-CD1 3.63Å; F155-Y184 AromaticContact CD1-CE1 3.53Å; F155-Y184 HydrophobicContact CD1-CE1 3.53Å; F155-Y184 HydrophobicContact CD2-CD1 4.21Å; F155-Y184 AromaticContact CE1-CD1 3.84Å; F155-Y184 HydrophobicContact CE1-CD1 3.84Å; F155-Y184 HydrophobicContact CE1-CE1 4.01Å; F155-Y184 HydrophobicContact CE2-CD1 4.39Å; F155-Y184 AromaticContact CG-CD1 3.85Å; F155-Y184 HydrophobicContact CG-CD1 3.85Å; F155-Y184 HydrophobicContact CG-CE1 4.01Å; F155-Y184 HydrophobicContact CZ-CD1 4.24Å; F155-W188 HydrophobicContact CE1-CD2 4.3Å; F155-W188 HydrophobicContact CE1-CE3 4.16Å; F155-W188 HydrophobicContact CE1-CZ3 4.31Å
156E91Very high87.2Confident71 Ų7170.8 Ų70.833%0.33237%0.365SS..Hα-helixtrans-60.9-44.9178.1176.8153.4163.400111.7K152 V153 F159 S160 W188 R192K152-E156 WeakPolarHBondContact O-CB 3.43Å; K152-E156 PolarHBondContact O-N 3.01Å; V153-E156 PolarHBondContact O-N 3.09Å; E156-F159 PolarHBondContact O-N 3.46Å; E156-S160 PolarHBondContact O-N 2.99Å; E156-W188 HydrophobicContact CB-CZ2 4.24Å; E156-W188 HydrophobicContact CG-CZ2 4.03Å; E156-W188 PolarHBondContact OE2-NE1 3.07Å; E156-R192 IonicContact OE1-CZ 3.62Å; E156-R192 IonicContact OE1-NH1 3.27Å; E156-R192 PolarHBondContact OE1-NH1 2.72Å; E156-R192 IonicContact OE1-NH2 3.09Å; E156-R192 PolarHBondContact OE1-NH2 2.98Å; E156-R192 IonicContact OE2-CZ 2.75Å; E156-R192 IonicContact OE2-NH1 3.21Å; E156-R192 PolarHBondContact OE2-NH1 3.22Å; E156-R192 IonicContact OE2-NH2 2.74Å
157Q90.6Very high88.3Confident98 Ų9869.9 Ų69.946%0.45836%0.361SS..Hα-helixtrans-67.8-41.5178.4-169.765.587.800112.3V153 L154 F155 S160 F161V153-Q157 WeakPolarHBondContact O-CB 3.37Å; V153-Q157 PolarHBondContact O-N 3.2Å; L154-Q157 PolarHBondContact O-N 3.45Å; F155-Q157 PolarHBondContact O-N 2.9Å; Q157-S160 PolarHBondContact NE2-OG 3.29Å; Q157-S160 VanDerWaalsContact NE2-OG 3.07Å; Q157-S160 PolarHBondContact O-N 2.74Å; Q157-S160 PolarHBondContact O-OG 3.27Å; Q157-F161 HydrophobicContact CG-CD2 4.26Å; Q157-F161 HydrophobicContact CG-CE2 3.84Å; Q157-F161 WeakPolarHBondContact O-CD2 3.24Å; Q157-F161 PolarHBondContact O-N 3.39Å
158A90.1Very high88.8Confident3 Ų373.9 Ų73.93%0.02538%0.376CS..Hα-helixtrans-68.2-37.2175.400000111.6L154 F155 F161 H162 I169 M172L154-A158 WeakPolarHBondContact O-CB 3.21Å; L154-A158 PolarHBondContact O-N 2.83Å; F155-A158 PolarHBondContact O-N 3.01Å; A158-F161 PolarHBondContact O-N 2.88Å; A158-H162 VanDerWaalsContact O-CB 3.25Å; A158-H162 WeakPolarHBondContact O-CB 3.35Å; A158-H162 PolarHBondContact O-N 3.13Å; A158-I169 HydrophobicContact CB-CB 4.28Å; A158-I169 HydrophobicContact CB-CG1 4Å; A158-I169 HydrophobicContact CB-CG2 4.03Å; A158-M172 HydrophobicContact CB-CB 4.07Å; A158-M172 HydrophobicContact CB-CG 4.04Å
159F91.7Very high89.3Confident45 Ų4571.1 Ų71.120%0.19736%0.359CS..Hα-helixtrans-68.2-34.1175.1-172.6-86.5000112.1F155 E156 F161 G163 K164 I169 Y185 W188F155-F159 HydrophobicContact CE1-CB 4.23Å; F155-F159 HydrophobicContact CE1-CD2 4.38Å; F155-F159 HydrophobicContact CE1-CG 4.45Å; F155-F159 HydrophobicContact CZ-CB 4.47Å; F155-F159 HydrophobicContact CZ-CD2 4.08Å; F155-F159 WeakPolarHBondContact O-CB 3.32Å; F155-F159 PolarHBondContact O-N 2.86Å; E156-F159 PolarHBondContact O-N 3.46Å; F159-F161 VanDerWaalsContact C-N 3.34Å; F159-F161 PolarHBondContact O-N 3.19Å; F159-G163 WeakPolarHBondContact CD2-O 3.49Å; F159-G163 WeakPolarHBondContact CE2-O 3.44Å; F159-G163 WeakPolarHBondContact O-CA 3.44Å; F159-G163 PolarHBondContact O-N 3.49Å; F159-K164 HydrophobicContact CE2-CG 4.1Å; F159-K164 HydrophobicContact CZ-CG 4.34Å; F159-I169 HydrophobicContact CB-CD1 4.11Å; F159-I169 HydrophobicContact CD2-CD1 3.94Å; F159-Y185 HydrophobicContact CD2-CD2 4.42Å; F159-Y185 AromaticContact CE2-CD2 3.69Å; F159-Y185 HydrophobicContact CE2-CD2 3.69Å; F159-Y185 AromaticContact CE2-CE2 3.72Å; F159-Y185 HydrophobicContact CE2-CE2 3.72Å; F159-Y185 HydrophobicContact CZ-CD2 4.15Å; F159-Y185 AromaticContact CZ-CE2 3.79Å; F159-Y185 HydrophobicContact CZ-CE2 3.79Å; F159-W188 AromaticContact CD1-CH2 3.81Å; F159-W188 HydrophobicContact CD1-CH2 3.81Å; F159-W188 HydrophobicContact CD1-CZ3 4.1Å; F159-W188 HydrophobicContact CE1-CH2 4.19Å; F159-W188 HydrophobicContact CE1-CZ3 4.13Å; F159-W188 HydrophobicContact CG-CH2 4.32Å; F159-W188 HydrophobicContact CG-CZ3 4.47Å
160S86.9Confident90Very high80 Ų8069.1 Ų69.156%0.55934%0.343SS*.Hα-helixtrans-66.6-35.2175.376.30000112.5E156 Q157E156-S160 PolarHBondContact O-N 2.99Å; Q157-S160 PolarHBondContact NE2-OG 3.29Å; Q157-S160 VanDerWaalsContact NE2-OG 3.07Å; Q157-S160 PolarHBondContact O-N 2.74Å; Q157-S160 PolarHBondContact O-OG 3.27Å
161F86.8Confident90.5Very high147 Ų14769.8 Ų69.865%0.64535%0.346SS*.Hα-helixtrans-85.6-29.1177.7-67.9-54.7000114.5Q157 A158 F159Q157-F161 HydrophobicContact CG-CD2 4.26Å; Q157-F161 HydrophobicContact CG-CE2 3.84Å; Q157-F161 WeakPolarHBondContact O-CD2 3.24Å; Q157-F161 PolarHBondContact O-N 3.39Å; A158-F161 PolarHBondContact O-N 2.88Å; F159-F161 VanDerWaalsContact C-N 3.34Å; F159-F161 PolarHBondContact O-N 3.19Å
162H89.1Confident90.4Very high55 Ų5573.6 Ų73.626%0.25537%0.365SS..Hα-helixtrans-124.9-0-167.3-54.9-38.8000114.1A158 K164 S165 R168A158-H162 VanDerWaalsContact O-CB 3.25Å; A158-H162 WeakPolarHBondContact O-CB 3.35Å; A158-H162 PolarHBondContact O-N 3.13Å; H162-K164 PolarHBondContact O-N 3.08Å; H162-S165 WeakPolarHBondContact O-CB 3.31Å; H162-S165 PolarHBondContact O-N 3.18Å; H162-S165 VanDerWaalsContact O-N 3.13Å; H162-R168 HydrophobicContact CB-CB 4.31Å; H162-R168 HydrophobicContact CB-CG 3.82Å; H162-R168 VanDerWaalsContact CD2-CG 3.42Å; H162-R168 WeakPolarHBondContact CD2-CG 3.43Å; H162-R168 PolarHBondContact CE1-NE 2.91Å; H162-R168 VanDerWaalsContact CG-CG 3.42Å; H162-R168 PolarHBondContact NE2-NE 3.4Å
163G87.9Confident90.4Very high29 Ų2970.4 Ų70.430%0.29935%0.351SS..THydrogen-bonded Turntrans54.8-135.4178.400000112.1F159 S165 I169F159-G163 WeakPolarHBondContact CD2-O 3.49Å; F159-G163 WeakPolarHBondContact CE2-O 3.44Å; F159-G163 WeakPolarHBondContact O-CA 3.44Å; F159-G163 PolarHBondContact O-N 3.49Å; G163-S165 PolarHBondContact O-N 3.39Å; G163-I169 WeakPolarHBondContact O-CD1 3.46Å
164K89.8Confident90.3Very high140 Ų14070.1 Ų70.161%0.60935%0.351SS*.THydrogen-bonded Turntrans-80.215.6179.6-57.4176.3-169.51650114F159 H162 F166F159-K164 HydrophobicContact CE2-CG 4.1Å; F159-K164 HydrophobicContact CZ-CG 4.34Å; H162-K164 PolarHBondContact O-N 3.08Å; K164-F166 HydrophobicContact CB-CE2 4.22Å; K164-F166 WeakPolarHBondContact O-CD2 3.14Å; K164-F166 PolarHBondContact O-N 3.05Å
165S91.4Very high89.9Confident58 Ų5873.1 Ų73.141%0.40637%0.368SS..  trans-77.676176.6-167.70000110.2H162 G163 H167 R168 I169H162-S165 WeakPolarHBondContact O-CB 3.31Å; H162-S165 PolarHBondContact O-N 3.18Å; H162-S165 VanDerWaalsContact O-N 3.13Å; G163-S165 PolarHBondContact O-N 3.39Å; S165-H167 VanDerWaalsContact C-N 3.25Å; S165-H167 PolarHBondContact O-N 3.19Å; S165-R168 CarbonylContact O-C 3.57Å; S165-R168 WeakPolarHBondContact O-CA 3.49Å; S165-R168 WeakPolarHBondContact O-CB 2.89Å; S165-R168 PolarHBondContact O-N 3.34Å; S165-R168 WeakPolarHBondContact OG-CB 3.15Å; S165-I169 PolarHBondContact O-N 2.9Å
166F93.3Very high89.7Confident32 Ų3273.9 Ų73.914%0.1437%0.371CS..Hα-helixtrans-58.5-34.8-175.4-66.7-74.2000113.2F155 K164 R168 I169 Q170 I178 L181 V182 Y185F155-F166 HydrophobicContact CE2-CE1 4.34Å; F155-F166 HydrophobicContact CZ-CE1 4.46Å; K164-F166 HydrophobicContact CB-CE2 4.22Å; K164-F166 WeakPolarHBondContact O-CD2 3.14Å; K164-F166 PolarHBondContact O-N 3.05Å; F166-R168 VanDerWaalsContact C-N 3.26Å; F166-R168 PolarHBondContact O-N 2.83Å; F166-I169 HydrophobicContact CD1-CD1 4.29Å; F166-I169 PolarHBondContact O-N 3.49Å; F166-Q170 WeakPolarHBondContact O-CB 3.16Å; F166-Q170 PolarHBondContact O-N 3.29Å; F166-I178 HydrophobicContact CB-CG2 4.13Å; F166-L181 HydrophobicContact CD1-CB 3.91Å; F166-V182 HydrophobicContact CD1-CG2 3.94Å; F166-V182 HydrophobicContact CD2-CG2 3.76Å; F166-V182 HydrophobicContact CE1-CG2 4.01Å; F166-V182 HydrophobicContact CE2-CG2 3.84Å; F166-V182 HydrophobicContact CG-CG2 3.81Å; F166-V182 HydrophobicContact CZ-CG2 3.96Å; F166-Y185 HydrophobicContact CE1-CG 4.18Å; F166-Y185 AromaticContact CZ-CD1 3.9Å; F166-Y185 HydrophobicContact CZ-CD1 3.9Å; F166-Y185 HydrophobicContact CZ-CD2 4.34Å; F166-Y185 AromaticContact CZ-CG 3.77Å; F166-Y185 HydrophobicContact CZ-CG 3.77Å
167H93.6Very high89.7Confident133 Ų13374.5 Ų74.562%0.61638%0.38SS*.Hα-helixtrans-60.4-33.2171.7-62.8102.9000113.2S165 I178S165-H167 VanDerWaalsContact C-N 3.25Å; S165-H167 PolarHBondContact O-N 3.19Å; H167-I178 VanDerWaalsContact CD2-CD1 3.44Å; H167-I178 WeakPolarHBondContact CD2-CD1 3.36Å; H167-I178 WeakPolarHBondContact NE2-CD1 3.48Å
168R92.3Very high89.7Confident123 Ų12372.6 Ų72.646%0.46437%0.372SS..Hα-helixtrans-85.7-29.3177.9179.757.6177.5-1163112.1H162 S165 F166 Q170 Q171H162-R168 HydrophobicContact CB-CB 4.31Å; H162-R168 HydrophobicContact CB-CG 3.82Å; H162-R168 VanDerWaalsContact CD2-CG 3.42Å; H162-R168 WeakPolarHBondContact CD2-CG 3.43Å; H162-R168 PolarHBondContact CE1-NE 2.91Å; H162-R168 VanDerWaalsContact CG-CG 3.42Å; H162-R168 PolarHBondContact NE2-NE 3.4Å; S165-R168 CarbonylContact O-C 3.57Å; S165-R168 WeakPolarHBondContact O-CA 3.49Å; S165-R168 WeakPolarHBondContact O-CB 2.89Å; S165-R168 PolarHBondContact O-N 3.34Å; S165-R168 WeakPolarHBondContact OG-CB 3.15Å; F166-R168 VanDerWaalsContact C-N 3.26Å; F166-R168 PolarHBondContact O-N 2.83Å; R168-Q170 VanDerWaalsContact C-N 3.35Å; R168-Q171 PolarHBondContact O-N 2.9Å
169I92Very high89.7Confident0 Ų075.9 Ų75.90%040%0.399CS..Hα-helixtrans-64.7-40.7167.2-66.7170.7000110.4F155 A158 F159 G163 S165 F166 Q171 M172 L173 L181F155-I169 HydrophobicContact CD2-CG2 3.84Å; F155-I169 HydrophobicContact CE2-CD1 4.13Å; F155-I169 HydrophobicContact CE2-CG2 4.19Å; A158-I169 HydrophobicContact CB-CB 4.28Å; A158-I169 HydrophobicContact CB-CG1 4Å; A158-I169 HydrophobicContact CB-CG2 4.03Å; F159-I169 HydrophobicContact CB-CD1 4.11Å; F159-I169 HydrophobicContact CD2-CD1 3.94Å; G163-I169 WeakPolarHBondContact O-CD1 3.46Å; S165-I169 PolarHBondContact O-N 2.9Å; F166-I169 HydrophobicContact CD1-CD1 4.29Å; F166-I169 PolarHBondContact O-N 3.49Å; I169-Q171 PolarHBondContact O-N 3.49Å; I169-M172 WeakPolarHBondContact O-CA 3.44Å; I169-M172 WeakPolarHBondContact O-CB 3.27Å; I169-M172 PolarHBondContact O-N 3.48Å; I169-L173 HydrophobicContact CG2-CD1 4.34Å; I169-L173 PolarHBondContact O-N 2.85Å; I169-L173 VanDerWaalsContact O-N 3.17Å; I169-L181 HydrophobicContact CB-CD1 4.37Å; I169-L181 HydrophobicContact CG2-CD1 4.06Å; I169-L181 HydrophobicContact CG2-CD2 4.07Å
170Q93.8Very high89.5Confident56 Ų5674.2 Ų74.226%0.26239%0.393SS..Hα-helixtrans-61.1-25.9177.6-165179.910.300112.9F166 R168 M172 L173 P174 L181F166-Q170 WeakPolarHBondContact O-CB 3.16Å; F166-Q170 PolarHBondContact O-N 3.29Å; R168-Q170 VanDerWaalsContact C-N 3.35Å; Q170-M172 PolarHBondContact O-N 3.28Å; Q170-L173 CarbonylContact O-C 3.06Å; Q170-L173 PolarHBondContact O-N 3.33Å; Q170-L173 VanDerWaalsContact O-N 3.13Å; Q170-P174 WeakPolarHBondContact O-CA 3.49Å; Q170-P174 VanDerWaalsContact O-N 3.09Å; Q170-L181 HydrophobicContact CB-CD1 3.8Å; Q170-L181 HydrophobicContact CG-CD1 4.34Å
171Q92.4Very high89.8Confident136 Ų13670.4 Ų70.464%0.63637%0.366SS*.THydrogen-bonded Turntrans-67.4-19173-67.1174.1-6.500113.1R168 I169R168-Q171 PolarHBondContact O-N 2.9Å; I169-Q171 PolarHBondContact O-N 3.49Å
172M86.1Confident90Very high101 Ų10165.5 Ų65.550%0.49835%0.349SS..THydrogen-bonded Turntrans-98.6-12.1171.8-59.6-61.3-5900113.1A158 I169 Q170A158-M172 HydrophobicContact CB-CB 4.07Å; A158-M172 HydrophobicContact CB-CG 4.04Å; I169-M172 WeakPolarHBondContact O-CA 3.44Å; I169-M172 WeakPolarHBondContact O-CB 3.27Å; I169-M172 PolarHBondContact O-N 3.48Å; Q170-M172 PolarHBondContact O-N 3.28Å
173L88.8Confident90Very high7 Ų770.1 Ų70.14%0.03737%0.368CS..  trans-140.967.3-177.3-75.1174.2000109.4W147 L154 F155 I169 Q170 D175 K176 L181W147-L173 HydrophobicContact CH2-CD1 4.26Å; W147-L173 HydrophobicContact CZ3-CD1 4.24Å; L154-L173 HydrophobicContact CB-CD1 4.37Å; L154-L173 HydrophobicContact CB-CD2 3.75Å; L154-L173 HydrophobicContact CB-CG 4.13Å; L154-L173 HydrophobicContact CD1-CD2 3.91Å; L154-L173 HydrophobicContact CG-CD2 4.45Å; F155-L173 HydrophobicContact CB-CD1 3.78Å; F155-L173 HydrophobicContact CD2-CD1 4.48Å; I169-L173 HydrophobicContact CG2-CD1 4.34Å; I169-L173 PolarHBondContact O-N 2.85Å; I169-L173 VanDerWaalsContact O-N 3.17Å; Q170-L173 CarbonylContact O-C 3.06Å; Q170-L173 PolarHBondContact O-N 3.33Å; Q170-L173 VanDerWaalsContact O-N 3.13Å; L173-D175 PolarHBondContact O-N 2.85Å; L173-K176 HydrophobicContact CB-CB 4.27Å; L173-K176 HydrophobicContact CB-CG 4.28Å; L173-K176 PolarHBondContact O-N 2.87Å; L173-K176 VanDerWaalsContact O-N 3.16Å; L173-L181 HydrophobicContact CB-CD2 4.34Å; L173-L181 HydrophobicContact CD1-CD2 3.97Å
174P85.4Confident90Very high88 Ų8870.2 Ų70.257%0.57136%0.359SS*.THydrogen-bonded Turntrans-61.1-36-172.124.2-34000112.3Q170 K176Q170-P174 WeakPolarHBondContact O-CA 3.49Å; Q170-P174 VanDerWaalsContact O-N 3.09Å; P174-K176 VanDerWaalsContact C-N 3.27Å; P174-K176 PolarHBondContact O-N 3.5Å
175D83.8Confident90.1Very high133 Ų13364.1 Ų64.171%0.71133%0.333SS*.THydrogen-bonded Turntrans-74.9-13-177.2-49.3-53.6000113.3L173L173-D175 PolarHBondContact O-N 2.85Å
176K86.9Confident89.8Confident17 Ų1768.8 Ų68.87%0.07434%0.342CS..SBendtrans-99.3110.2176.6-55.1-52.1-175.8-170.70110.1E146 W147 D151 L173 P174 L181E146-K176 PolarHBondContact O-NZ 3.17Å; W147-K176 HydrophobicContact CH2-CG 4.42Å; W147-K176 HydrophobicContact CZ2-CB 4.44Å; W147-K176 HydrophobicContact CZ2-CG 4.32Å; D151-K176 WeakPolarHBondContact OD1-CE 3.25Å; D151-K176 IonicContact OD1-NZ 3.08Å; D151-K176 WeakPolarHBondContact OD2-CE 3.14Å; D151-K176 IonicContact OD2-NZ 2.74Å; D151-K176 PolarHBondContact OD2-NZ 3.34Å; L173-K176 HydrophobicContact CB-CB 4.27Å; L173-K176 HydrophobicContact CB-CG 4.28Å; L173-K176 PolarHBondContact O-N 2.87Å; L173-K176 VanDerWaalsContact O-N 3.16Å; P174-K176 VanDerWaalsContact C-N 3.27Å; P174-K176 PolarHBondContact O-N 3.5Å; K176-L181 HydrophobicContact CB-CD2 3.64Å; K176-L181 HydrophobicContact CB-CG 4.22Å
177T91.3Very high89.1Confident83 Ų8370.5 Ų70.551%0.50936%0.358SS..  trans-58.2151.3176.667.20000111.8A179 S180 L181T177-A179 PolarHBondContact O-N 3.41Å; T177-A179 VanDerWaalsContact O-N 3.09Å; T177-S180 WeakPolarHBondContact O-CA 3.37Å; T177-S180 WeakPolarHBondContact O-CB 3.27Å; T177-S180 PolarHBondContact O-N 3.31Å; T177-S180 PolarHBondContact OG1-N 3.41Å; T177-L181 WeakPolarHBondContact O-CG 3.49Å; T177-L181 PolarHBondContact O-N 2.8Å
178I90.6Very high88.6Confident58 Ų5865.5 Ų65.530%0.29733%0.334SS..Hα-helixtrans-51.4-37.4176.7-58.3171.4000111.6F166 H167 L181 V182F166-I178 HydrophobicContact CB-CG2 4.13Å; H167-I178 VanDerWaalsContact CD2-CD1 3.44Å; H167-I178 WeakPolarHBondContact CD2-CD1 3.36Å; H167-I178 WeakPolarHBondContact NE2-CD1 3.48Å; I178-L181 PolarHBondContact O-N 3.43Å; I178-V182 HydrophobicContact CG2-CG2 4.27Å; I178-V182 WeakPolarHBondContact O-CB 3.33Å; I178-V182 VanDerWaalsContact O-CG2 3.24Å; I178-V182 WeakPolarHBondContact O-CG2 3.06Å; I178-V182 PolarHBondContact O-N 2.86Å
179A88.9Confident87.9Confident72 Ų7265 Ų6560%0.59534%0.336SS*.Hα-helixtrans-63.5-40.5175.500000112.7T177 K183T177-A179 PolarHBondContact O-N 3.41Å; T177-A179 VanDerWaalsContact O-N 3.09Å; A179-K183 VanDerWaalsContact O-CB 3.27Å; A179-K183 WeakPolarHBondContact O-CB 3.42Å; A179-K183 PolarHBondContact O-N 3.47Å
180S89.2Confident86.4Confident10 Ų1073.6 Ų73.67%0.0737%0.373CS..Hα-helixtrans-68.1-44.6174.1-164.10000111.5W147 T177 V182 K183 Y184W147-S180 PolarHBondContact NE1-OG 3.02Å; W147-S180 VanDerWaalsContact NE1-OG 3.15Å; T177-S180 WeakPolarHBondContact O-CA 3.37Å; T177-S180 WeakPolarHBondContact O-CB 3.27Å; T177-S180 PolarHBondContact O-N 3.31Å; T177-S180 PolarHBondContact OG1-N 3.41Å; S180-V182 VanDerWaalsContact C-N 3.33Å; S180-V182 PolarHBondContact O-N 2.86Å; S180-K183 PolarHBondContact O-N 2.91Å; S180-Y184 WeakPolarHBondContact O-CB 3.39Å; S180-Y184 PolarHBondContact O-N 3.3Å
181L92.1Very high84.7Confident0 Ų076.5 Ų76.50%040%0.395CS..Hα-helixtrans-57.4-42.9175.2-60.3179.3000112.3W147 F155 F166 I169 Q170 L173 K176 T177 I178 Y185W147-L181 HydrophobicContact CH2-CD2 3.73Å; W147-L181 HydrophobicContact CZ2-CD2 4.11Å; F155-L181 HydrophobicContact CD2-CD2 4.11Å; F155-L181 HydrophobicContact CE2-CB 4.46Å; F166-L181 HydrophobicContact CD1-CB 3.91Å; I169-L181 HydrophobicContact CB-CD1 4.37Å; I169-L181 HydrophobicContact CG2-CD1 4.06Å; I169-L181 HydrophobicContact CG2-CD2 4.07Å; Q170-L181 HydrophobicContact CB-CD1 3.8Å; Q170-L181 HydrophobicContact CG-CD1 4.34Å; L173-L181 HydrophobicContact CB-CD2 4.34Å; L173-L181 HydrophobicContact CD1-CD2 3.97Å; K176-L181 HydrophobicContact CB-CD2 3.64Å; K176-L181 HydrophobicContact CB-CG 4.22Å; T177-L181 WeakPolarHBondContact O-CG 3.49Å; T177-L181 PolarHBondContact O-N 2.8Å; I178-L181 PolarHBondContact O-N 3.43Å; L181-Y185 WeakPolarHBondContact O-CB 3.36Å; L181-Y185 PolarHBondContact O-N 2.87Å
182V92.1Very high83.1Confident45 Ų4575.2 Ų75.227%0.27338%0.384SS..Hα-helixtrans-71.5-41.1178171.30000111.5F166 I178 S180 Y184 Y185 Y186F166-V182 HydrophobicContact CD1-CG2 3.94Å; F166-V182 HydrophobicContact CD2-CG2 3.76Å; F166-V182 HydrophobicContact CE1-CG2 4.01Å; F166-V182 HydrophobicContact CE2-CG2 3.84Å; F166-V182 HydrophobicContact CG-CG2 3.81Å; F166-V182 HydrophobicContact CZ-CG2 3.96Å; I178-V182 HydrophobicContact CG2-CG2 4.27Å; I178-V182 WeakPolarHBondContact O-CB 3.33Å; I178-V182 VanDerWaalsContact O-CG2 3.24Å; I178-V182 WeakPolarHBondContact O-CG2 3.06Å; I178-V182 PolarHBondContact O-N 2.86Å; S180-V182 VanDerWaalsContact C-N 3.33Å; S180-V182 PolarHBondContact O-N 2.86Å; V182-Y184 VanDerWaalsContact C-N 3.35Å; V182-Y184 PolarHBondContact O-N 3.13Å; V182-Y185 PolarHBondContact O-N 3.19Å; V182-Y186 HydrophobicContact CG1-CD2 3.97Å; V182-Y186 HydrophobicContact CG1-CE2 3.83Å; V182-Y186 VanDerWaalsContact O-CD2 3.27Å; V182-Y186 WeakPolarHBondContact O-CD2 3.5Å; V182-Y186 PolarHBondContact O-N 3.17Å
183K88.1Confident81.4Confident151 Ų15175.2 Ų75.266%0.65739%0.394SS*.Hα-helixtrans-58.5-47.1174.2-173.1-168-68177.20110.6A179 S180 Y186 S187A179-K183 VanDerWaalsContact O-CB 3.27Å; A179-K183 WeakPolarHBondContact O-CB 3.42Å; A179-K183 PolarHBondContact O-N 3.47Å; S180-K183 PolarHBondContact O-N 2.91Å; K183-Y186 PolarHBondContact O-N 3.16Å; K183-S187 PolarHBondContact O-N 3.28Å
184Y88.9Confident79.4Confident32 Ų3286.2 Ų86.213%0.12544%0.435CS..Hα-helixtrans-64.9-44.3178.1-175.5-96.1000112.5W147 K152 F155 S180 V182 Y186 S187 W188W147-Y184 HydrophobicContact CD2-CD1 4.49Å; W147-Y184 AromaticContact CD2-CD2 3.54Å; W147-Y184 HydrophobicContact CD2-CD2 3.54Å; W147-Y184 HydrophobicContact CD2-CE2 4.07Å; W147-Y184 AromaticContact CD2-CG 3.81Å; W147-Y184 HydrophobicContact CD2-CG 3.81Å; W147-Y184 AromaticContact CE2-CD2 3.82Å; W147-Y184 AromaticContact CE2-CG 3.72Å; W147-Y184 HydrophobicContact CE3-CD1 4.12Å; W147-Y184 AromaticContact CE3-CD2 3.81Å; W147-Y184 HydrophobicContact CE3-CD2 3.81Å; W147-Y184 HydrophobicContact CE3-CE1 4.32Å; W147-Y184 HydrophobicContact CE3-CE2 4.02Å; W147-Y184 AromaticContact CE3-CG 3.89Å; W147-Y184 HydrophobicContact CE3-CG 3.89Å; W147-Y184 AromaticContact CG-CD2 3.89Å; W147-Y184 HydrophobicContact CG-CD2 3.89Å; W147-Y184 HydrophobicContact CG-CE2 4.32Å; W147-Y184 AromaticContact CH2-CD1 3.87Å; W147-Y184 HydrophobicContact CH2-CD1 3.87Å; W147-Y184 AromaticContact CH2-CG 3.81Å; W147-Y184 HydrophobicContact CH2-CG 3.81Å; W147-Y184 HydrophobicContact CZ2-CD1 4.27Å; W147-Y184 HydrophobicContact CZ2-CD2 4.31Å; W147-Y184 AromaticContact CZ2-CG 3.73Å; W147-Y184 HydrophobicContact CZ2-CG 3.73Å; W147-Y184 AromaticContact CZ3-CD1 3.81Å; W147-Y184 HydrophobicContact CZ3-CD1 3.81Å; W147-Y184 HydrophobicContact CZ3-CD2 4.3Å; W147-Y184 HydrophobicContact CZ3-CE1 4.18Å; W147-Y184 AromaticContact CZ3-CG 3.9Å; W147-Y184 HydrophobicContact CZ3-CG 3.9Å; K152-Y184 HydrophobicContact CD-CE2 4.44Å; K152-Y184 HydrophobicContact CG-CE2 3.97Å; K152-Y184 WeakPolarHBondContact CG-OH 3.47Å; F155-Y184 HydrophobicContact CB-CE1 4.45Å; F155-Y184 AromaticContact CD1-CD1 3.63Å; F155-Y184 HydrophobicContact CD1-CD1 3.63Å; F155-Y184 AromaticContact CD1-CE1 3.53Å; F155-Y184 HydrophobicContact CD1-CE1 3.53Å; F155-Y184 HydrophobicContact CD2-CD1 4.21Å; F155-Y184 AromaticContact CE1-CD1 3.84Å; F155-Y184 HydrophobicContact CE1-CD1 3.84Å; F155-Y184 HydrophobicContact CE1-CE1 4.01Å; F155-Y184 HydrophobicContact CE2-CD1 4.39Å; F155-Y184 AromaticContact CG-CD1 3.85Å; F155-Y184 HydrophobicContact CG-CD1 3.85Å; F155-Y184 HydrophobicContact CG-CE1 4.01Å; F155-Y184 HydrophobicContact CZ-CD1 4.24Å; S180-Y184 WeakPolarHBondContact O-CB 3.39Å; S180-Y184 PolarHBondContact O-N 3.3Å; V182-Y184 VanDerWaalsContact C-N 3.35Å; V182-Y184 PolarHBondContact O-N 3.13Å; Y184-Y186 VanDerWaalsContact C-N 3.26Å; Y184-Y186 PolarHBondContact O-N 3.4Å; Y184-S187 PolarHBondContact O-N 2.88Å; Y184-S187 VanDerWaalsContact O-N 3.17Å; Y184-S187 PolarHBondContact O-OG 3.24Å; Y184-W188 HydrophobicContact CD1-CB 4.16Å; Y184-W188 HydrophobicContact CE1-CB 3.69Å; Y184-W188 AromaticContact CE1-CD1 3.82Å; Y184-W188 AromaticContact CE1-CG 3.82Å; Y184-W188 HydrophobicContact CE1-CG 3.82Å; Y184-W188 AromaticContact CZ-CD1 3.87Å; Y184-W188 VanDerWaalsContact O-CB 3.27Å; Y184-W188 WeakPolarHBondContact O-CB 3.42Å; Y184-W188 PolarHBondContact O-N 3.13Å; Y184-W188 VanDerWaalsContact OH-CD1 3.3Å
185Y90.4Very high77.7Confident11 Ų1186.5 Ų86.54%0.04344%0.435CS..Hα-helixtrans-52.6-43174.8163.1-103.1000112.7F159 F166 L181 V182 K189F159-Y185 HydrophobicContact CD2-CD2 4.42Å; F159-Y185 AromaticContact CE2-CD2 3.69Å; F159-Y185 HydrophobicContact CE2-CD2 3.69Å; F159-Y185 AromaticContact CE2-CE2 3.72Å; F159-Y185 HydrophobicContact CE2-CE2 3.72Å; F159-Y185 HydrophobicContact CZ-CD2 4.15Å; F159-Y185 AromaticContact CZ-CE2 3.79Å; F159-Y185 HydrophobicContact CZ-CE2 3.79Å; F166-Y185 HydrophobicContact CE1-CG 4.18Å; F166-Y185 AromaticContact CZ-CD1 3.9Å; F166-Y185 HydrophobicContact CZ-CD1 3.9Å; F166-Y185 HydrophobicContact CZ-CD2 4.34Å; F166-Y185 AromaticContact CZ-CG 3.77Å; F166-Y185 HydrophobicContact CZ-CG 3.77Å; L181-Y185 WeakPolarHBondContact O-CB 3.36Å; L181-Y185 PolarHBondContact O-N 2.87Å; V182-Y185 PolarHBondContact O-N 3.19Å; Y185-K189 HydrophobicContact CE1-CD 4.47Å; Y185-K189 HydrophobicContact CE2-CB 4.42Å; Y185-K189 HydrophobicContact CE2-CD 4Å; Y185-K189 WeakPolarHBondContact O-CB 3.48Å; Y185-K189 PolarHBondContact O-N 3.02Å; Y185-K189 WeakPolarHBondContact OH-CD 3.27Å
186Y85.3Confident76.3Confident156 Ų15683.2 Ų83.261%0.61242%0.422SS*.Hα-helixtrans-74.6-27.5-178.5-79.1-66.2000114.1V182 K183 Y184V182-Y186 HydrophobicContact CG1-CD2 3.97Å; V182-Y186 HydrophobicContact CG1-CE2 3.83Å; V182-Y186 VanDerWaalsContact O-CD2 3.27Å; V182-Y186 WeakPolarHBondContact O-CD2 3.5Å; V182-Y186 PolarHBondContact O-N 3.17Å; K183-Y186 PolarHBondContact O-N 3.16Å; Y184-Y186 VanDerWaalsContact C-N 3.26Å; Y184-Y186 PolarHBondContact O-N 3.4Å
187S79.4Confident74.5Confident68 Ų6888.7 Ų88.748%0.47645%0.452SS..Hα-helixtrans-77.8-50171.4590000111.8K183 Y184 K189 K190K183-S187 PolarHBondContact O-N 3.28Å; Y184-S187 PolarHBondContact O-N 2.88Å; Y184-S187 VanDerWaalsContact O-N 3.17Å; Y184-S187 PolarHBondContact O-OG 3.24Å; S187-K189 PolarHBondContact O-N 3.37Å; S187-K190 WeakPolarHBondContact O-CB 3.39Å; S187-K190 PolarHBondContact O-N 3.4Å; S187-K190 VanDerWaalsContact O-N 3.1Å
188W83.3Confident72.4Confident28 Ų2891.4 Ų91.411%0.10646%0.46CS..Hα-helixtrans-60.4-41.8178.4172.493.6000112.9F155 E156 F159 Y184 K190 T191 R192F155-W188 HydrophobicContact CE1-CD2 4.3Å; F155-W188 HydrophobicContact CE1-CE3 4.16Å; F155-W188 HydrophobicContact CE1-CZ3 4.31Å; E156-W188 HydrophobicContact CB-CZ2 4.24Å; E156-W188 HydrophobicContact CG-CZ2 4.03Å; E156-W188 PolarHBondContact OE2-NE1 3.07Å; F159-W188 AromaticContact CD1-CH2 3.81Å; F159-W188 HydrophobicContact CD1-CH2 3.81Å; F159-W188 HydrophobicContact CD1-CZ3 4.1Å; F159-W188 HydrophobicContact CE1-CH2 4.19Å; F159-W188 HydrophobicContact CE1-CZ3 4.13Å; F159-W188 HydrophobicContact CG-CH2 4.32Å; F159-W188 HydrophobicContact CG-CZ3 4.47Å; Y184-W188 HydrophobicContact CD1-CB 4.16Å; Y184-W188 HydrophobicContact CE1-CB 3.69Å; Y184-W188 AromaticContact CE1-CD1 3.82Å; Y184-W188 AromaticContact CE1-CG 3.82Å; Y184-W188 HydrophobicContact CE1-CG 3.82Å; Y184-W188 AromaticContact CZ-CD1 3.87Å; Y184-W188 VanDerWaalsContact O-CB 3.27Å; Y184-W188 WeakPolarHBondContact O-CB 3.42Å; Y184-W188 PolarHBondContact O-N 3.13Å; Y184-W188 VanDerWaalsContact OH-CD1 3.3Å; W188-K190 PolarHBondContact O-N 3.35Å; W188-T191 PolarHBondContact O-N 2.92Å; W188-T191 PolarHBondContact O-OG1 2.69Å; W188-R192 VanDerWaalsContact CZ2-NH1 3.31Å; W188-R192 PolarHBondContact O-N 2.87Å
189K77.9Confident71Confident114 Ų11491.9 Ų91.950%0.49646%0.464SS..Hα-helixtrans-62.1-28.8176.4-180178.6173.1-168.90112.6Y185 S187 T191Y185-K189 HydrophobicContact CE1-CD 4.47Å; Y185-K189 HydrophobicContact CE2-CB 4.42Å; Y185-K189 HydrophobicContact CE2-CD 4Å; Y185-K189 WeakPolarHBondContact O-CB 3.48Å; Y185-K189 PolarHBondContact O-N 3.02Å; Y185-K189 WeakPolarHBondContact OH-CD 3.27Å; S187-K189 PolarHBondContact O-N 3.37Å; K189-T191 VanDerWaalsContact C-N 3.27Å; K189-T191 PolarHBondContact O-N 3.06Å
190K60.3Low69.3Low180 Ų18097.4 Ų97.478%0.78347%0.469SS*.Hα-helixtrans-70.4-23.5-177-161.5174.4179.4-177.90112.6S187 W188S187-K190 WeakPolarHBondContact O-CB 3.39Å; S187-K190 PolarHBondContact O-N 3.4Å; S187-K190 VanDerWaalsContact O-N 3.1Å; W188-K190 PolarHBondContact O-N 3.35Å
191T56.9Low67.8Low117 Ų117102.9 Ų102.972%0.71849%0.494SS*.Hα-helixtrans-98.3-24176.953.30000113.7W188 K189 S193W188-T191 PolarHBondContact O-N 2.92Å; W188-T191 PolarHBondContact O-OG1 2.69Å; K189-T191 VanDerWaalsContact C-N 3.27Å; K189-T191 PolarHBondContact O-N 3.06Å; T191-S193 PolarHBondContact O-N 3.1Å; T191-S193 VanDerWaalsContact O-N 3.15Å
192R58.8Low66.3Low108 Ų108105.7 Ų105.741%0.40852%0.517SS..THydrogen-bonded Turntrans-78.715.5-176.6-152.3-171.7-179.185.8-3.8115.7E156 W188 R194E156-R192 IonicContact OE1-CZ 3.62Å; E156-R192 IonicContact OE1-NH1 3.27Å; E156-R192 PolarHBondContact OE1-NH1 2.72Å; E156-R192 IonicContact OE1-NH2 3.09Å; E156-R192 PolarHBondContact OE1-NH2 2.98Å; E156-R192 IonicContact OE2-CZ 2.75Å; E156-R192 IonicContact OE2-NH1 3.21Å; E156-R192 PolarHBondContact OE2-NH1 3.22Å; E156-R192 IonicContact OE2-NH2 2.74Å; W188-R192 VanDerWaalsContact CZ2-NH1 3.31Å; W188-R192 PolarHBondContact O-N 2.87Å; R192-R194 VanDerWaalsContact C-N 3.29Å; R192-R194 PolarHBondContact O-N 3.25Å
193S51.8Low65Low102 Ų102110.8 Ų110.871%0.71353%0.531SS*.THydrogen-bonded Turntrans-76.6-7-170.456.90000115.5T191T191-S193 PolarHBondContact O-N 3.1Å; T191-S193 VanDerWaalsContact O-N 3.15Å
194R45.3Very low63.4Low238 Ų238111 Ų11190%0.89853%0.532SS*.SBendtrans-96106.6167.7-75.6-179.7170.3164-3.7109.6R192 S196R192-R194 VanDerWaalsContact C-N 3.29Å; R192-R194 PolarHBondContact O-N 3.25Å; R194-S196 PolarHBondContact O-N 2.93Å
195T49.4Very low61.9Low93 Ų93115.8 Ų115.857%0.57156%0.559SS**  trans-56126.4178.5-64.60000110.8D199T195-D199 HydrophobicContact CG2-CB 3.57Å
196S54.8Low60.5Low64 Ų64118.4 Ų118.445%0.44858%0.583SS.*  trans-71.5154.3176.5176.40000111.6R194 M198 D199R194-S196 PolarHBondContact O-N 2.93Å; S196-M198 PolarHBondContact O-N 3.28Å; S196-M198 PolarHBondContact OG-N 3.48Å; S196-D199 WeakPolarHBondContact O-CB 3.43Å; S196-D199 PolarHBondContact O-N 3.05Å
197L48.8Very low58.7Low133 Ų133116.9 Ų116.970%0.69659%0.585SS**Hα-helixtrans-58.6-28.3173.4-70.8170.4000112.3D199 R200 Q201L197-D199 PolarHBondContact O-N 2.83Å; L197-R200 VanDerWaalsContact O-CB 3.31Å; L197-R200 WeakPolarHBondContact O-CB 3.32Å; L197-R200 PolarHBondContact O-N 3.17Å; L197-R200 VanDerWaalsContact O-N 3.08Å; L197-Q201 PolarHBondContact O-N 3.36Å
198M48.1Very low57.5Low139 Ų139123.3 Ų123.369%0.68560%0.599SS**Hα-helixtrans-63.2-38.2173.8-70.7176.1164.200112.7S196 R200 Q201 A202S196-M198 PolarHBondContact O-N 3.28Å; S196-M198 PolarHBondContact OG-N 3.48Å; M198-R200 PolarHBondContact O-N 2.92Å; M198-Q201 PolarHBondContact O-N 3.15Å; M198-Q201 VanDerWaalsContact O-N 3.13Å; M198-A202 WeakPolarHBondContact O-CB 3.41Å; M198-A202 PolarHBondContact O-N 2.85Å
199D61.3Low55.8Low68 Ų68130.1 Ų130.136%0.36463%0.632SS.*Hα-helixtrans-65.1-18.6174.1-80.7-42000112.6T195 S196 L197 R203T195-D199 HydrophobicContact CG2-CB 3.57Å; S196-D199 WeakPolarHBondContact O-CB 3.43Å; S196-D199 PolarHBondContact O-N 3.05Å; L197-D199 PolarHBondContact O-N 2.83Å; D199-R203 PolarHBondContact O-NE 2.84Å; D199-R203 PolarHBondContact O-NH2 2.74Å
200R53.9Low54.2Low188 Ų188131.7 Ų131.771%0.70965%0.646SS**Hα-helixtrans-83.2-38.5173.9-163.7178.4-177.4-1720.1110.9L197 M198 K204L197-R200 VanDerWaalsContact O-CB 3.31Å; L197-R200 WeakPolarHBondContact O-CB 3.32Å; L197-R200 PolarHBondContact O-N 3.17Å; L197-R200 VanDerWaalsContact O-N 3.08Å; M198-R200 PolarHBondContact O-N 2.92Å; R200-K204 PolarHBondContact O-N 3.09Å; R200-K204 VanDerWaalsContact O-N 3.09Å
201Q55.8Low53.5Low126 Ų126130.9 Ų130.959%0.58965%0.645SS**Hα-helixtrans-70-44175.3-70.8175.6-28.100112.3L197 M198 R203 K204 L205L197-Q201 PolarHBondContact O-N 3.36Å; M198-Q201 PolarHBondContact O-N 3.15Å; M198-Q201 VanDerWaalsContact O-N 3.13Å; Q201-R203 VanDerWaalsContact C-N 3.31Å; Q201-R203 PolarHBondContact O-N 3.43Å; Q201-K204 WeakPolarHBondContact O-CB 3.49Å; Q201-K204 PolarHBondContact O-N 2.67Å; Q201-L205 PolarHBondContact O-N 3.21Å
202A61.5Low52.4Low58 Ų58128.9 Ų128.948%0.47965%0.647SS.*Hα-helixtrans-57.4-43176.500000112.1M198 L205 A206M198-A202 WeakPolarHBondContact O-CB 3.41Å; M198-A202 PolarHBondContact O-N 2.85Å; A202-L205 PolarHBondContact O-N 3.19Å; A202-A206 PolarHBondContact O-N 2.74Å
203R64.9Low51.1Low152 Ų152132.1 Ų132.157%0.57467%0.673SS**Hα-helixtrans-67.7-35.6173.5-80.6179.3-77.6-171.6-7.9113.3D199 Q201 L205 A206 N207D199-R203 PolarHBondContact O-NE 2.84Å; D199-R203 PolarHBondContact O-NH2 2.74Å; Q201-R203 VanDerWaalsContact C-N 3.31Å; Q201-R203 PolarHBondContact O-N 3.43Å; R203-L205 VanDerWaalsContact C-N 3.33Å; R203-A206 PolarHBondContact O-N 3.29Å; R203-N207 WeakPolarHBondContact O-CB 3.24Å; R203-N207 PolarHBondContact O-N 3.45Å
204K55.1Low50.3Low157 Ų157133.1 Ų133.168%0.68368%0.679SS**Hα-helixtrans-65.2-35.3174.7-172175.6-179.6-1770112.2R200 Q201 R208R200-K204 PolarHBondContact O-N 3.09Å; R200-K204 VanDerWaalsContact O-N 3.09Å; Q201-K204 WeakPolarHBondContact O-CB 3.49Å; Q201-K204 PolarHBondContact O-N 2.67Å; K204-R208 WeakPolarHBondContact O-CG 3.42Å; K204-R208 PolarHBondContact O-N 3.47Å
205L57.5Low49.7Very low131 Ų131128.9 Ų128.969%0.68668%0.675SS**Hα-helixtrans-71.5-46.5173.5-78.7163.4000112Q201 A202 R203 N207 R208 H209Q201-L205 PolarHBondContact O-N 3.21Å; A202-L205 PolarHBondContact O-N 3.19Å; R203-L205 VanDerWaalsContact C-N 3.33Å; L205-N207 VanDerWaalsContact C-N 3.28Å; L205-N207 PolarHBondContact O-N 3.36Å; L205-R208 PolarHBondContact O-N 2.92Å; L205-H209 PolarHBondContact O-N 3.22Å
206A60.6Low48.9Very low67 Ų67131.4 Ų131.455%0.55469%0.685SS**Hα-helixtrans-57.2-41.2176.200000112.4A202 R203 R208 H209A202-A206 PolarHBondContact O-N 2.74Å; R203-A206 PolarHBondContact O-N 3.29Å; A206-R208 PolarHBondContact O-N 3.27Å; A206-H209 PolarHBondContact O-N 2.62Å
207N47.6Very low47.9Very low123 Ų123135.1 Ų135.166%0.65870%0.699SS**Hα-helixtrans-74.6-6.2178.4-146.1110.7000114.1R203 L205R203-N207 WeakPolarHBondContact O-CB 3.24Å; R203-N207 PolarHBondContact O-N 3.45Å; L205-N207 VanDerWaalsContact C-N 3.28Å; L205-N207 PolarHBondContact O-N 3.36Å
208R53.7Low47.3Very low203 Ų203134.6 Ų134.677%0.76670%0.702SS**Hα-helixtrans-95.7-15.2173.2-79.3-80.2-70.9-120.5-2113.4K204 L205 A206K204-R208 WeakPolarHBondContact O-CG 3.42Å; K204-R208 PolarHBondContact O-N 3.47Å; L205-R208 PolarHBondContact O-N 2.92Å; A206-R208 PolarHBondContact O-N 3.27Å
209H48.7Very low46.7Very low171 Ų171136.7 Ų136.779%0.79271%0.71SS**Hα-helixtrans-85.5-17.2177.5-172.553.6000113L205 A206L205-H209 PolarHBondContact O-N 3.22Å; A206-H209 PolarHBondContact O-N 2.62Å
210N43.3Very low45.3Very low147 Ų147140.4 Ų140.479%0.78673%0.725SS**SBendtrans-106.818.1-168.9-144.284.7000113.9
211Q45Very low44.1Very low164 Ų164138.3 Ų138.377%0.76673%0.733SS**  trans-14792.6178.5-172.9162.932.200109.3
212G33.6Very low43Very low74 Ų74140.1 Ų140.176%0.76374%0.741SS**  trans-125158167.300000109.4
213D33.3Very low42.4Very low177 Ų177142.1 Ų142.195%0.94775%0.749SS**  trans77.580.6177.4-138.945.8000117
214S33.5Very low40.7Very low122 Ų122142.7 Ų142.785%0.85376%0.76SS**  trans-155.9136.8137.4-173.50000107.1
215D34Very low39.5Very low150 Ų150142.1 Ų142.180%0.80277%0.765SS**  trans-90.7-168.6-175.8-149.4-14.4000112.1
216D31.4Very low38.2Very low146 Ų146139.2 Ų139.278%0.78177%0.767SS**  trans84.280.5172.4-63.6-50.4000118.1
217D33.8Very low36.8Very low141 Ų141142.5 Ų142.575%0.75478%0.775SS**  57.2145.6121.7-115.6-36.3000125.7
218V36.7Very low35.9Very low123 Ų123144.4 Ų144.475%0.74579%0.785SS**  trans52.4154.7167.6-53.30000119.8
219E35.1Very low35.2Very low183 Ų183138.3 Ų138.386%0.85577%0.774SS**  cis-142.4174.67.2-150.1175.815200112.5
220E31.9Very low34.3Very low146 Ų146137.1 Ų137.168%0.68277%0.773SS**  trans-70.7148.3-170.1177.8178.2-175.700116.9
221T30.3Very low34.1Very low143 Ų143140.3 Ų140.388%0.87778%0.776SS**  trans-175.3165.4133.6200000113.8
222H31.2Very low33.6Very low164 Ų164137.2 Ų137.276%0.75976%0.764SS**  trans-97.3170.9-158.3-98.9-100.5000116.8
223P48.9Very low33.9Very low101 Ų101138.8 Ų138.866%0.65676%0.761SS**  trans-100.2-158.2-165.742.1-38.4000114.8
224M29Very low34.1Very low163 Ų163138 Ų13880%0.80375%0.749SS**  trans81.1146.1-173.8-47-63.2-88.100112.7
225D31.2Very low34Very low146 Ų146141 Ų14178%0.78175%0.747SS**  cis-153.6-176.4-12.6-144.5-43.5000108.4
226G29.1Very low33.9Very low70 Ų70141.4 Ų141.472%0.72274%0.744SS**  trans142.891.615800000117.3
227N31.4Very low34Very low135 Ų135138.7 Ų138.772%0.72274%0.742SS**  trans-67.7136.9162.1171.495000111.6S229N227-S229 PolarHBondContact ND2-OG 2.92Å
228D29.3Very low34Very low163 Ų163141.4 Ų141.487%0.87275%0.747SS**  trans-132.7140.8150.4-171.222.4000109.2
229S38.3Very low33.7Very low76 Ų76143.1 Ų143.153%0.53174%0.744SS.*  trans-154.5150.1-158.356.50000114N227N227-S229 PolarHBondContact ND2-OG 2.92Å
230D30.6Very low33.5Very low145 Ų145141.7 Ų141.778%0.77574%0.738SS**  trans88128.6162.5-151.2-7.7000118.3D232D230-D232 PolarHBondContact OD1-N 2.96Å
231Y37.6Very low33.2Very low214 Ų214138.7 Ų138.784%0.83975%0.746SS**  trans-164.486.4155.4-164.2-89.7000110.2
232D34.6Very low32.9Very low99 Ų99138.9 Ų138.953%0.52974%0.741SS.*  trans-7412417417932.4000112.5D230 K234D230-D232 PolarHBondContact OD1-N 2.96Å; D232-K234 VanDerWaalsContact CG-NZ 3.35Å; D232-K234 PolarHBondContact O-N 2.98Å; D232-K234 IonicContact OD1-NZ 3.69Å; D232-K234 PolarHBondContact OD1-NZ 3.17Å; D232-K234 VanDerWaalsContact OD1-NZ 3.08Å; D232-K234 IonicContact OD2-NZ 3.19Å; D232-K234 PolarHBondContact OD2-NZ 3.42Å
233P41.6Very low32.7Very low108 Ų108136.2 Ų136.270%0.70174%0.737SS**  trans-86.892.8-179.333.7-35000113.3
234K36.1Very low31.6Very low159 Ų159140.1 Ų140.169%0.69175%0.747SS**  trans-137.5160.9165.6-64.5-167.1-169.574.20112.3D232D232-K234 VanDerWaalsContact CG-NZ 3.35Å; D232-K234 PolarHBondContact O-N 2.98Å; D232-K234 IonicContact OD1-NZ 3.69Å; D232-K234 PolarHBondContact OD1-NZ 3.17Å; D232-K234 VanDerWaalsContact OD1-NZ 3.08Å; D232-K234 IonicContact OD2-NZ 3.19Å; D232-K234 PolarHBondContact OD2-NZ 3.42Å
235K32.3Very low31.5Very low186 Ų186140.6 Ų140.681%0.80975%0.747SS**  trans67.9140.8-175.6-91.1-167.7161.8-138.10114.2
236E31.6Very low31.7Very low159 Ų159138.8 Ų138.874%0.74374%0.743SS**  cis-130.4-178.9-0.9-62.3-154.2137.100112.3
237A33.2Very low31.6Very low88 Ų88141.2 Ų141.273%0.72774%0.743SS**  trans-144.6148.7-178.600000113.1
238K33.8Very low31.4Very low198 Ų198142.8 Ų142.886%0.86175%0.746SS**  trans69.5153.4-178.8-53.1176.2176.3179.10113.2
239K31.4Very low31.2Very low159 Ų159140.2 Ų140.269%0.69174%0.737SS**  cis-129.2142.110.3-107-157.4171-140.80110.7
240E29.7Very low30.7Very low153 Ų153141.4 Ų141.472%0.71575%0.745SS**  55.7120.697.3-62.3169.6-148.900116.4
241G26Very low30.8Very low83 Ų83144.6 Ų144.686%0.85675%0.752SS**  trans170.5140.3171.600000110.7
242N23.6Very low30.5Very low147 Ų147142.4 Ų142.479%0.78675%0.753SS**  trans-134.2160.4-169.8-172.932.8000113
243T26.3Very low30.2Very low108 Ų108141.3 Ų141.366%0.66377%0.765SS**  trans86.4143.6154.22.30000120.6
244E26.3Very low29.9Very low184 Ų184144.5 Ų144.586%0.8678%0.775SS**  trans84.2123155.6-60.8-171.4152.400122.9
245Q26.4Very low29.5Very low172 Ų172140.9 Ų140.980%0.80478%0.783SS**  trans-86.5174.7153.6-79.4-168.548.900108.5
246P36.2Very low29.6Very low109 Ų109142.1 Ų142.171%0.70878%0.782SS**  cis-149.9158.528.439.5-16.9000120.7
247V26.2Very low29.6Very low120 Ų120145.5 Ų145.573%0.72779%0.789SS**  trans48.1152.8130.8-168.90000122
248Q27.7Very low29.5Very low168 Ų168147.7 Ų147.779%0.78578%0.784SS**  trans101.4144.5164.7-58-158.53600117.1
249T24.6Very low29.5Very low109 Ų109149 Ų14967%0.66979%0.785SS**  cis-154.3154.7-14.416.30000112.6
250S29.4Very low29.4Very low102 Ų102150.8 Ų150.871%0.71380%0.796SS**  trans36.9129.1141.8-53.10000123.1
251K32.6Very low29.6Very low212 Ų212148.3 Ų148.392%0.92280%0.795SS**  -165.5153.8106.8-105.6163-173.2173.90114.1
252I31Very low30.2Very low168 Ų168152.3 Ų152.386%0.86280%0.796SS**  trans-107.6147.5178.6-67.8162000108.9
253G27.9Very low31.1Very low75 Ų75154 Ų15477%0.77380%0.799SS**  trans-154.5121.9169.700000111.8
254L35.5Very low31.6Very low176 Ų176156.8 Ų156.892%0.92180%0.804SS**  trans-94.9137.4176.2-69.9169.8000110.4
255G28.3Very low32.3Very low82 Ų82159.5 Ų159.585%0.84581%0.807SS**  trans-154.7105.8179.100000113
256R34.6Very low33.2Very low212 Ų212160.5 Ų160.580%0.881%0.811SS**  trans-78137.6178.9173.1-154.9-92.3-1054.4111.8E258R256-E258 IonicContact NH1-OE1 3.17Å; R256-E258 PolarHBondContact NH1-OE1 3.23Å
257R30.4Very low34.1Very low231 Ų231163.2 Ų163.287%0.87281%0.814SS**  trans-154.2160.3141.4-148.6164.9-69.5-165.50.4112.2
258E31.7Very low35Very low134 Ų134162.6 Ų162.663%0.62682%0.815SS**  trans-69.9166.6-165.2-88.262.6-142.900118.2R256R256-E258 IonicContact NH1-OE1 3.17Å; R256-E258 PolarHBondContact NH1-OE1 3.23Å
259Y32.9Very low35.9Very low225 Ų225162.8 Ų162.888%0.88282%0.816SS**  trans-48.1145.2164.6-97.2-123.2000114.3
260Q30.8Very low37.4Very low197 Ų197169 Ų16992%0.92183%0.827SS**  trans-142.1151.2137.8-127.5168.527.200110.9
261S33Very low38.5Very low100 Ų100169 Ų16970%0.69983%0.826SS**  trans-90.1136.1-161.552.50000114.4
262L39.7Very low39.9Very low168 Ų168167.8 Ų167.888%0.8882%0.821SS**  trans-132.5114.8155.6-94.6171.3000110.6H264L262-H264 PolarHBondContact O-N 3.15Å
263Q41.3Very low41.9Very low181 Ų181165.9 Ų165.985%0.84682%0.821SS**  trans-8598.6179.8-66.6175.2-12.200110.3
264H37.1Very low44.4Very low168 Ų168171.9 Ų171.978%0.77882%0.821SS**  trans-131.893.3174.3-102.328.9000114.3L262 H266L262-H264 PolarHBondContact O-N 3.15Å; H264-H266 PolarHBondContact O-N 3.09Å
265R42Very low47Very low240 Ų240166.1 Ų166.191%0.90679%0.794SS**  trans53.949135-154.3177.5-177.6157.91.5118H267R265-H267 PolarHBondContact O-N 2.81Å
266H44.8Very low50.1Low194 Ų194166.9 Ų166.990%0.89878%0.784SS**  trans-73.275.3161.3-93-93.6000112.1H264H264-H266 PolarHBondContact O-N 3.09Å
267H55.5Low52.8Low165 Ų165167.1 Ų167.176%0.76479%0.791SS**  trans-123.951.1156.6-155.782.7000110.5R265R265-H267 PolarHBondContact O-N 2.81Å
268S44.4Very low55.8Low107 Ų107158.7 Ų158.775%0.74878%0.776SS**  trans-61.6138.3156.8-1720000108
269Q47.2Very low58.8Low172 Ų172157.2 Ų157.280%0.80477%0.77SS**  trans-53.7146.6-166.9-64.6-178.9-7.200112.5S271Q269-S271 VanDerWaalsContact C-N 3.3Å; Q269-S271 PolarHBondContact O-N 3.18Å
270R55.3Low61.7Low241 Ų241155.8 Ų155.891%0.90977%0.765SS**  trans-50.491.3172.3179.6-170.1-96.1-131.2-0.8110.2K272R270-K272 PolarHBondContact O-N 3.33Å
271S52.2Low64.7Low100 Ų100151.3 Ų151.370%0.69975%0.746SS**  trans-60.5136174.553.30000107.7Q269 C273Q269-S271 VanDerWaalsContact C-N 3.3Å; Q269-S271 PolarHBondContact O-N 3.18Å; S271-C273 VanDerWaalsContact C-N 3.27Å; S271-C273 PolarHBondContact O-N 3.23Å
272K63.3Low67.6Low187 Ų187149.8 Ų149.881%0.81373%0.733SS**  trans-69.889.9-176.2-67.2178-178.6177.60107.9R270 R274R270-K272 PolarHBondContact O-N 3.33Å; K272-R274 VanDerWaalsContact C-N 3.27Å; K272-R274 PolarHBondContact O-N 3.5Å
273C71.3Confident70.2Confident128 Ų128149 Ų14987%0.86573%0.725SS**  trans-6984.4-174.2-161.70000109.6S271S271-C273 VanDerWaalsContact C-N 3.27Å; S271-C273 PolarHBondContact O-N 3.23Å
274R82.3Confident72.8Confident202 Ų202148 Ų14876%0.76272%0.72SS**PPolyproline II helixtrans-77.2150.9174.3-67.2-175.8179.8-77.65.4109K272K272-R274 VanDerWaalsContact C-N 3.27Å; K272-R274 PolarHBondContact O-N 3.5Å
275P88.6Confident75.6Confident55 Ų55144 Ų14436%0.35771%0.705SS.*PPolyproline II helixtrans-58.7156.3171.327.1-35.7000111.1M279 L281P275-M279 HydrophobicContact CB-CB 4.17Å; P275-M279 HydrophobicContact CB-CG 4.1Å; P275-M279 WeakPolarHBondContact CG-O 3.45Å; P275-L281 HydrophobicContact CB-CB 4.41Å; P275-L281 HydrophobicContact CB-CD1 4.26Å
276P93.4Very high78.2Confident97 Ų97136 Ų13663%0.6368%0.683SS**PPolyproline II helixtrans-52.3155.1176.5-28.335.8000113.5G278 M279P276-G278 PolarHBondContact O-N 2.86Å; P276-G278 VanDerWaalsContact O-N 3.1Å; P276-M279 HydrophobicContact CB-CB 4.26Å; P276-M279 WeakPolarHBondContact O-CB 3.4Å; P276-M279 PolarHBondContact O-N 3.25Å
277K91.8Very high80.7Confident217 Ų217130.5 Ų130.594%0.94366%0.662SS**THydrogen-bonded Turntrans-61.5117.5-179.5-178.461.3174.7174.90110.3
278G92.9Very high82.7Confident55 Ų55124.6 Ų124.657%0.56764%0.642SS**THydrogen-bonded Turntrans97.3-10.1-176.200000114.3P276 Y280P276-G278 PolarHBondContact O-N 2.86Å; P276-G278 VanDerWaalsContact O-N 3.1Å; G278-Y280 WeakPolarHBondContact O-CD2 3.33Å; G278-Y280 WeakPolarHBondContact O-CE2 3.36Å
279M94.8Very high85.2Confident103 Ų103122.8 Ų122.851%0.50763%0.626SS.*  trans-91.7127.2170.9-175.858.167.700109.8P275 P276 L281P275-M279 HydrophobicContact CB-CB 4.17Å; P275-M279 HydrophobicContact CB-CG 4.1Å; P275-M279 WeakPolarHBondContact CG-O 3.45Å; P276-M279 HydrophobicContact CB-CB 4.26Å; P276-M279 WeakPolarHBondContact O-CB 3.4Å; P276-M279 PolarHBondContact O-N 3.25Å; M279-L281 HydrophobicContact CG-CD1 3.83Å; M279-L281 HydrophobicContact CG-CG 3.95Å; M279-L281 HydrophobicContact SD-CD1 4.41Å; M279-L281 HydrophobicContact SD-CG 4.24Å
280Y93.4Very high87.5Confident195 Ų195118.6 Ų118.677%0.76562%0.616SS**  trans-112.8116.2178.3-59.6-86.6000108.5G278G278-Y280 WeakPolarHBondContact O-CD2 3.33Å; G278-Y280 WeakPolarHBondContact O-CE2 3.36Å
281L94.2Very high89.4Confident102 Ų102111.6 Ų111.653%0.53460%0.603SS.*  trans-138.8110.4-179.8-69.3170.2000107.6P275 M279 V286P275-L281 HydrophobicContact CB-CB 4.41Å; P275-L281 HydrophobicContact CB-CD1 4.26Å; M279-L281 HydrophobicContact CG-CD1 3.83Å; M279-L281 HydrophobicContact CG-CG 3.95Å; M279-L281 HydrophobicContact SD-CD1 4.41Å; M279-L281 HydrophobicContact SD-CG 4.24Å; L281-V286 HydrophobicContact CD2-CG2 4.33Å
282T93.9Very high91.5Very high68 Ų68109.6 Ų109.642%0.41759%0.589SS.*  trans-111.9160.8170.379.90000110.2E284 D285 V286T282-E284 PolarHBondContact O-N 2.94Å; T282-E284 PolarHBondContact OG1-N 2.91Å; T282-D285 WeakPolarHBondContact CB-OD2 3.27Å; T282-D285 VanDerWaalsContact CG2-OD2 3.25Å; T282-D285 WeakPolarHBondContact CG2-OD2 3.41Å; T282-D285 PolarHBondContact OG1-N 3.41Å; T282-D285 VanDerWaalsContact OG1-N 3.07Å; T282-D285 PolarHBondContact OG1-OD2 3Å; T282-V286 WeakPolarHBondContact O-CB 3.48Å; T282-V286 VanDerWaalsContact O-CG2 3.27Å; T282-V286 WeakPolarHBondContact O-CG2 3.23Å; T282-V286 PolarHBondContact O-N 3.36Å
283Q94.5Very high93Very high151 Ų151107.7 Ų107.771%0.70660%0.595SS**Hα-helixtrans-63.7-33175.1-177.261.536.200111.7V287Q283-V287 WeakPolarHBondContact O-CB 3.27Å; Q283-V287 VanDerWaalsContact O-CG2 3.23Å; Q283-V287 WeakPolarHBondContact O-CG2 3.41Å; Q283-V287 PolarHBondContact O-N 2.86Å; Q283-V287 VanDerWaalsContact O-N 3.14Å
284E96.9Very high94.2Very high160 Ų160105.6 Ų105.675%0.74858%0.576SS**Hα-helixtrans-69.7-52.4-179.1-174.5170.5-172.200111T282 V286 V287 A288T282-E284 PolarHBondContact O-N 2.94Å; T282-E284 PolarHBondContact OG1-N 2.91Å; E284-V286 VanDerWaalsContact C-N 3.32Å; E284-V286 PolarHBondContact O-N 3.48Å; E284-V287 PolarHBondContact O-N 3.2Å; E284-A288 WeakPolarHBondContact O-CB 3.32Å; E284-A288 PolarHBondContact O-N 3.16Å
285D96Very high94.9Very high85 Ų8596.3 Ų96.346%0.45554%0.542SS..Hα-helixtrans-58-44.7177.9-57.5-54000111.6T282 V287 A288 V289T282-D285 WeakPolarHBondContact CB-OD2 3.27Å; T282-D285 VanDerWaalsContact CG2-OD2 3.25Å; T282-D285 WeakPolarHBondContact CG2-OD2 3.41Å; T282-D285 PolarHBondContact OG1-N 3.41Å; T282-D285 VanDerWaalsContact OG1-N 3.07Å; T282-D285 PolarHBondContact OG1-OD2 3Å; D285-V287 PolarHBondContact O-N 3.35Å; D285-A288 PolarHBondContact O-N 3.19Å; D285-V289 VanDerWaalsContact O-CB 3.31Å; D285-V289 WeakPolarHBondContact O-CB 3.45Å; D285-V289 VanDerWaalsContact O-CG2 3.24Å; D285-V289 WeakPolarHBondContact O-CG2 3.37Å; D285-V289 PolarHBondContact O-N 2.92Å
286V95.6Very high95.3Very high73 Ų7395.3 Ų95.344%0.44254%0.538SS..Hα-helixtrans-65.1-39.5-178.9171.50000111.4L281 T282 E284 S290L281-V286 HydrophobicContact CD2-CG2 4.33Å; T282-V286 WeakPolarHBondContact O-CB 3.48Å; T282-V286 VanDerWaalsContact O-CG2 3.27Å; T282-V286 WeakPolarHBondContact O-CG2 3.23Å; T282-V286 PolarHBondContact O-N 3.36Å; E284-V286 VanDerWaalsContact C-N 3.32Å; E284-V286 PolarHBondContact O-N 3.48Å; V286-S290 VanDerWaalsContact O-CB 3.31Å; V286-S290 WeakPolarHBondContact O-CB 3.42Å; V286-S290 PolarHBondContact O-N 3.32Å; V286-S290 PolarHBondContact O-OG 2.77Å
287V97.4Very high95.5Very high77 Ų7794.2 Ų94.247%0.46753%0.528SS..Hα-helixtrans-69.9-44.1175.1169.40000111Q283 E284 D285 V289 S290 C291Q283-V287 WeakPolarHBondContact O-CB 3.27Å; Q283-V287 VanDerWaalsContact O-CG2 3.23Å; Q283-V287 WeakPolarHBondContact O-CG2 3.41Å; Q283-V287 PolarHBondContact O-N 2.86Å; Q283-V287 VanDerWaalsContact O-N 3.14Å; E284-V287 PolarHBondContact O-N 3.2Å; D285-V287 PolarHBondContact O-N 3.35Å; V287-V289 PolarHBondContact O-N 2.98Å; V287-S290 PolarHBondContact O-N 3.44Å; V287-S290 PolarHBondContact O-OG 2.97Å; V287-C291 WeakPolarHBondContact O-CB 3.42Å; V287-C291 PolarHBondContact O-N 3.48Å
288A96.6Very high95.7Very high41 Ų4187.9 Ų87.934%0.33951%0.507SS..Hα-helixtrans-62.7-42.2-18000000112.4E284 D285 C291 A295 I299E284-A288 WeakPolarHBondContact O-CB 3.32Å; E284-A288 PolarHBondContact O-N 3.16Å; D285-A288 PolarHBondContact O-N 3.19Å; A288-C291 PolarHBondContact O-SG 2.98Å; A288-A295 WeakPolarHBondContact O-CB 3.42Å; A288-I299 HydrophobicContact CB-CD1 4.09Å; A288-I299 WeakPolarHBondContact O-CD1 3.42Å
289V97.1Very high96Very high70 Ų7088.1 Ų88.142%0.42450%0.495SS..Hα-helixtrans-72.7-28.3179.3171.80000112.4D285 V287 A296 I299D285-V289 VanDerWaalsContact O-CB 3.31Å; D285-V289 WeakPolarHBondContact O-CB 3.45Å; D285-V289 VanDerWaalsContact O-CG2 3.24Å; D285-V289 WeakPolarHBondContact O-CG2 3.37Å; D285-V289 PolarHBondContact O-N 2.92Å; V287-V289 PolarHBondContact O-N 2.98Å; V289-A296 HydrophobicContact CG1-CB 3.85Å; V289-I299 HydrophobicContact CG2-CD1 4.04Å
290S96.4Very high96.1Very high84 Ų8488.2 Ų88.259%0.58750%0.497SS*.Hα-helixtrans-97.6-5.4-177.863.30000115.6V286 V287 S292V286-S290 VanDerWaalsContact O-CB 3.31Å; V286-S290 WeakPolarHBondContact O-CB 3.42Å; V286-S290 PolarHBondContact O-N 3.32Å; V286-S290 PolarHBondContact O-OG 2.77Å; V287-S290 PolarHBondContact O-N 3.44Å; V287-S290 PolarHBondContact O-OG 2.97Å; S290-S292 PolarHBondContact O-N 3.16Å; S290-S292 VanDerWaalsContact O-N 3.12Å
291C95.6Very high96.3Very high94 Ų9486.1 Ų86.164%0.63549%0.488SS*.SBendtrans-64.3-19.2-172.573.10000115.2V287 A288 A295V287-C291 WeakPolarHBondContact O-CB 3.42Å; V287-C291 PolarHBondContact O-N 3.48Å; A288-C291 PolarHBondContact O-SG 2.98Å; C291-A295 VanDerWaalsContact SG-CB 3.54Å
292S95.6Very high96.5Very high58 Ų5886.3 Ų86.341%0.40649%0.486SS..SBendtrans-155.9160.9168.870.90000111.3S290 N294 A295S290-S292 PolarHBondContact O-N 3.16Å; S290-S292 VanDerWaalsContact O-N 3.12Å; S292-N294 PolarHBondContact O-N 3.31Å; S292-A295 WeakPolarHBondContact O-CB 3.34Å; S292-A295 PolarHBondContact O-N 3.01Å; S292-A295 PolarHBondContact OG-N 3.15Å
293P95.3Very high96.7Very high146 Ų14687.5 Ų87.595%0.94849%0.489SS*.THydrogen-bonded Turntrans-58.5-13.2-177.9-26.935.9000116.2
294N96.6Very high96.9Very high84 Ų8484.5 Ų84.545%0.44948%0.478SS..THydrogen-bonded Turntrans-120.62179.6-156.429.9000113.3S292 A296 N297 T298S292-N294 PolarHBondContact O-N 3.31Å; N294-A296 PolarHBondContact O-N 2.72Å; N294-N297 PolarHBondContact O-N 3.34Å; N294-N297 VanDerWaalsContact O-N 3.14Å; N294-N297 WeakPolarHBondContact OD1-CB 3.34Å; N294-N297 PolarHBondContact OD1-ND2 3.08Å; N294-T298 PolarHBondContact O-N 3.28Å; N294-T298 VanDerWaalsContact O-N 3.12Å; N294-T298 PolarHBondContact O-OG1 2.99Å
295A96.9Very high97Very high7 Ų782.4 Ų82.46%0.05847%0.469CS..Hα-helixtrans-58.2-45.5-175.200000112.4A288 C291 S292 N297 T298 I299A288-A295 WeakPolarHBondContact O-CB 3.42Å; C291-A295 VanDerWaalsContact SG-CB 3.54Å; S292-A295 WeakPolarHBondContact O-CB 3.34Å; S292-A295 PolarHBondContact O-N 3.01Å; S292-A295 PolarHBondContact OG-N 3.15Å; A295-N297 VanDerWaalsContact C-N 3.33Å; A295-N297 PolarHBondContact O-N 3.28Å; A295-T298 WeakPolarHBondContact O-CB 3.41Å; A295-T298 PolarHBondContact O-N 3.04Å; A295-T298 VanDerWaalsContact O-N 3.08Å; A295-I299 WeakPolarHBondContact O-CG1 3.47Å; A295-I299 PolarHBondContact O-N 3.31Å
296A96.4Very high97.1Very high34 Ų3482.7 Ų82.728%0.28147%0.468SS..Hα-helixtrans-49.2-49.7173.400000112.9V289 N294 T298 I299 L300V289-A296 HydrophobicContact CG1-CB 3.85Å; N294-A296 PolarHBondContact O-N 2.72Å; A296-T298 VanDerWaalsContact C-N 3.32Å; A296-T298 PolarHBondContact O-N 3.4Å; A296-I299 PolarHBondContact O-N 3.1Å; A296-L300 VanDerWaalsContact O-CG 3.31Å; A296-L300 WeakPolarHBondContact O-CG 3.29Å; A296-L300 PolarHBondContact O-N 2.87Å
297N97.2Very high97.2Very high75 Ų7583 Ų8340%0.40147%0.466SS..Hα-helixtrans-70.6-27.7-178.9-62.6-45.1000112.8N294 A295 R301N294-N297 PolarHBondContact O-N 3.34Å; N294-N297 VanDerWaalsContact O-N 3.14Å; N294-N297 WeakPolarHBondContact OD1-CB 3.34Å; N294-N297 PolarHBondContact OD1-ND2 3.08Å; A295-N297 VanDerWaalsContact C-N 3.33Å; A295-N297 PolarHBondContact O-N 3.28Å; N297-R301 VanDerWaalsContact O-CG 3.31Å; N297-R301 WeakPolarHBondContact O-CG 3.46Å; N297-R301 PolarHBondContact O-N 3.15Å; N297-R301 PolarHBondContact O-NH1 2.84Å
298T97.5Very high97.3Very high84 Ų8483.4 Ų83.452%0.51547%0.465SS..Hα-helixtrans-72.1-46.9174.3-59.80000110.7N294 A295 A296 R301 Q302N294-T298 PolarHBondContact O-N 3.28Å; N294-T298 VanDerWaalsContact O-N 3.12Å; N294-T298 PolarHBondContact O-OG1 2.99Å; A295-T298 WeakPolarHBondContact O-CB 3.41Å; A295-T298 PolarHBondContact O-N 3.04Å; A295-T298 VanDerWaalsContact O-N 3.08Å; A296-T298 VanDerWaalsContact C-N 3.32Å; A296-T298 PolarHBondContact O-N 3.4Å; T298-R301 PolarHBondContact O-N 3.37Å; T298-Q302 WeakPolarHBondContact O-CB 3.47Å; T298-Q302 PolarHBondContact O-N 3.43Å
299I97.3Very high97.4Very high60 Ų6083.9 Ų83.931%0.30847%0.466SS..Hα-helixtrans-61.2-46.5178.3-66.7165000110.7A288 V289 A295 A296 R301 Q302 L303A288-I299 HydrophobicContact CB-CD1 4.09Å; A288-I299 WeakPolarHBondContact O-CD1 3.42Å; V289-I299 HydrophobicContact CG2-CD1 4.04Å; A295-I299 WeakPolarHBondContact O-CG1 3.47Å; A295-I299 PolarHBondContact O-N 3.31Å; A296-I299 PolarHBondContact O-N 3.1Å; I299-R301 PolarHBondContact O-N 3.44Å; I299-Q302 PolarHBondContact O-N 2.77Å; I299-L303 HydrophobicContact CG2-CD1 4.07Å; I299-L303 WeakPolarHBondContact O-CG 3.48Å; I299-L303 PolarHBondContact O-N 3.06Å
300L97.6Very high97.4Very high105 Ų10585.1 Ų85.155%0.5547%0.47SS..Hα-helixtrans-60.9-45.4178.1-70.3171.5000112.2A296 Q302 L303 D304A296-L300 VanDerWaalsContact O-CG 3.31Å; A296-L300 WeakPolarHBondContact O-CG 3.29Å; A296-L300 PolarHBondContact O-N 2.87Å; L300-Q302 VanDerWaalsContact C-N 3.33Å; L300-Q302 PolarHBondContact O-N 3.33Å; L300-L303 PolarHBondContact O-N 2.94Å; L300-D304 PolarHBondContact O-N 2.83Å
301R97.9Very high97.6Very high151 Ų15186.8 Ų86.857%0.5747%0.467SS*.Hα-helixtrans-64.4-35.1176.3-73.7-174.2-166.1100-4.5113.1N297 T298 I299 D304 M305N297-R301 VanDerWaalsContact O-CG 3.31Å; N297-R301 WeakPolarHBondContact O-CG 3.46Å; N297-R301 PolarHBondContact O-N 3.15Å; N297-R301 PolarHBondContact O-NH1 2.84Å; T298-R301 PolarHBondContact O-N 3.37Å; I299-R301 PolarHBondContact O-N 3.44Å; R301-D304 PolarHBondContact O-N 3.36Å; R301-M305 WeakPolarHBondContact O-CG 3.42Å; R301-M305 PolarHBondContact O-N 3.24Å
302Q98.1Very high97.7Very high105 Ų10589.5 Ų89.549%0.49146%0.464SS..Hα-helixtrans-63.4-46.6175179.6602800110.8T298 I299 L300 D304 M305 E306T298-Q302 WeakPolarHBondContact O-CB 3.47Å; T298-Q302 PolarHBondContact O-N 3.43Å; I299-Q302 PolarHBondContact O-N 2.77Å; L300-Q302 VanDerWaalsContact C-N 3.33Å; L300-Q302 PolarHBondContact O-N 3.33Å; Q302-D304 VanDerWaalsContact C-N 3.35Å; Q302-D304 PolarHBondContact O-N 3.12Å; Q302-M305 PolarHBondContact O-N 3.26Å; Q302-E306 PolarHBondContact NE2-OE1 3.38Å; Q302-E306 WeakPolarHBondContact O-CG 3.31Å; Q302-E306 PolarHBondContact O-N 3.42Å
303L98.2Very high97.8Very high94 Ų9492.9 Ų92.949%0.49247%0.473SS..Hα-helixtrans-63.7-37.1176.6-67171.1000112.4I299 L300 E306 L307I299-L303 HydrophobicContact CG2-CD1 4.07Å; I299-L303 WeakPolarHBondContact O-CG 3.48Å; I299-L303 PolarHBondContact O-N 3.06Å; L300-L303 PolarHBondContact O-N 2.94Å; L303-E306 PolarHBondContact O-N 3.3Å; L303-L307 WeakPolarHBondContact O-CB 3.49Å; L303-L307 PolarHBondContact O-N 3.06Å
304D98.5Very high98Very high88 Ų8889.6 Ų89.647%0.47145%0.45SS..Hα-helixtrans-64.8-41.9172.9-82.4-37.6000112.4L300 R301 Q302 L307 I308L300-D304 PolarHBondContact O-N 2.83Å; R301-D304 PolarHBondContact O-N 3.36Å; Q302-D304 VanDerWaalsContact C-N 3.35Å; Q302-D304 PolarHBondContact O-N 3.12Å; D304-L307 PolarHBondContact O-N 2.9Å; D304-I308 WeakPolarHBondContact O-CB 3.5Å; D304-I308 VanDerWaalsContact O-CG1 3.28Å; D304-I308 WeakPolarHBondContact O-CG1 3.38Å; D304-I308 PolarHBondContact O-N 3.38Å
305M98.4Very high98.1Very high115 Ų11591.1 Ų91.157%0.56745%0.454SS*.Hα-helixtrans-62.9-44.3175-73.9-64.2104.200111.7R301 Q302 I308 S309R301-M305 WeakPolarHBondContact O-CG 3.42Å; R301-M305 PolarHBondContact O-N 3.24Å; Q302-M305 PolarHBondContact O-N 3.26Å; M305-I308 HydrophobicContact CE-CD1 3.98Å; M305-I308 PolarHBondContact O-N 3.18Å; M305-S309 WeakPolarHBondContact O-CB 3.5Å; M305-S309 PolarHBondContact O-N 3.12Å
306E98.5Very high98.2Very high92 Ų9295.3 Ų95.343%0.4348%0.476SS..Hα-helixtrans-63.1-44.5175-74.7174.8-155.800111.7Q302 L303 I308 S309 L310Q302-E306 PolarHBondContact NE2-OE1 3.38Å; Q302-E306 WeakPolarHBondContact O-CG 3.31Å; Q302-E306 PolarHBondContact O-N 3.42Å; L303-E306 PolarHBondContact O-N 3.3Å; E306-I308 VanDerWaalsContact C-N 3.33Å; E306-I308 PolarHBondContact O-N 3.14Å; E306-S309 WeakPolarHBondContact O-CB 3.2Å; E306-S309 PolarHBondContact O-N 3.34Å; E306-S309 VanDerWaalsContact O-N 3.1Å; E306-L310 WeakPolarHBondContact O-CB 3.49Å; E306-L310 WeakPolarHBondContact O-CG 3.27Å; E306-L310 PolarHBondContact O-N 2.88Å
307L98.4Very high98.3Very high78 Ų7895.6 Ų95.641%0.40848%0.478SS..Hα-helixtrans-59.7-41.1175.9179.361.5000112L303 D304 K311L303-L307 WeakPolarHBondContact O-CB 3.49Å; L303-L307 PolarHBondContact O-N 3.06Å; D304-L307 PolarHBondContact O-N 2.9Å; L307-K311 HydrophobicContact CD1-CD 4.37Å; L307-K311 HydrophobicContact CG-CD 4.19Å; L307-K311 VanDerWaalsContact O-CB 3.3Å; L307-K311 WeakPolarHBondContact O-CB 3.42Å; L307-K311 WeakPolarHBondContact O-CD 3.42Å; L307-K311 WeakPolarHBondContact O-CG 3.39Å; L307-K311 PolarHBondContact O-N 3.19Å
308I98.6Very high98.4Very high87 Ų8797.8 Ų97.845%0.44648%0.484SS..Hα-helixtrans-67.9-38.5174.5-70.7166.1000111D304 M305 E306 R312D304-I308 WeakPolarHBondContact O-CB 3.5Å; D304-I308 VanDerWaalsContact O-CG1 3.28Å; D304-I308 WeakPolarHBondContact O-CG1 3.38Å; D304-I308 PolarHBondContact O-N 3.38Å; M305-I308 HydrophobicContact CE-CD1 3.98Å; M305-I308 PolarHBondContact O-N 3.18Å; E306-I308 VanDerWaalsContact C-N 3.33Å; E306-I308 PolarHBondContact O-N 3.14Å; I308-R312 WeakPolarHBondContact O-CB 3.22Å; I308-R312 PolarHBondContact O-N 3.14Å
309S98.7Very high98.4Very high51 Ų51100.6 Ų100.636%0.35749%0.491SS..Hα-helixtrans-64.1-48.6176.8-152.80000112.2M305 E306 R312 Q313M305-S309 WeakPolarHBondContact O-CB 3.5Å; M305-S309 PolarHBondContact O-N 3.12Å; E306-S309 WeakPolarHBondContact O-CB 3.2Å; E306-S309 PolarHBondContact O-N 3.34Å; E306-S309 VanDerWaalsContact O-N 3.1Å; S309-R312 WeakPolarHBondContact O-CB 3.34Å; S309-R312 PolarHBondContact O-N 3.21Å; S309-R312 PolarHBondContact OG-NH2 3.23Å; S309-Q313 PolarHBondContact O-N 3.46Å
310L98.7Very high98.5Very high96 Ų96101.1 Ų101.150%0.50350%0.498SS..Hα-helixtrans-63.4-42.4176-70.8166.9000111.6E306 R312 Q313 V314E306-L310 WeakPolarHBondContact O-CB 3.49Å; E306-L310 WeakPolarHBondContact O-CG 3.27Å; E306-L310 PolarHBondContact O-N 2.88Å; L310-R312 VanDerWaalsContact C-N 3.31Å; L310-R312 PolarHBondContact O-N 3.47Å; L310-Q313 PolarHBondContact O-N 3.37Å; L310-V314 WeakPolarHBondContact O-CG2 3.23Å; L310-V314 PolarHBondContact O-N 3.33Å
311K98.6Very high98.5Very high118 Ų118100.6 Ų100.651%0.51350%0.495SS..Hα-helixtrans-56.3-44.4172.4-79.2166.4-179.6169.30111.4L307 V314 Q315L307-K311 HydrophobicContact CD1-CD 4.37Å; L307-K311 HydrophobicContact CG-CD 4.19Å; L307-K311 VanDerWaalsContact O-CB 3.3Å; L307-K311 WeakPolarHBondContact O-CB 3.42Å; L307-K311 WeakPolarHBondContact O-CD 3.42Å; L307-K311 WeakPolarHBondContact O-CG 3.39Å; L307-K311 PolarHBondContact O-N 3.19Å; K311-V314 PolarHBondContact O-N 3.13Å; K311-Q315 WeakPolarHBondContact O-CG 3.25Å; K311-Q315 PolarHBondContact O-N 2.86Å; K311-Q315 VanDerWaalsContact O-N 3.16Å
312R98.7Very high98.5Very high152 Ų15297.1 Ų97.157%0.57449%0.494SS*.Hα-helixtrans-64.6-44.2176.9-176.7174.863.9-99-5.6112.1I308 S309 L310 V314 Q315 N316I308-R312 WeakPolarHBondContact O-CB 3.22Å; I308-R312 PolarHBondContact O-N 3.14Å; S309-R312 WeakPolarHBondContact O-CB 3.34Å; S309-R312 PolarHBondContact O-N 3.21Å; S309-R312 PolarHBondContact OG-NH2 3.23Å; L310-R312 VanDerWaalsContact C-N 3.31Å; L310-R312 PolarHBondContact O-N 3.47Å; R312-V314 VanDerWaalsContact C-N 3.35Å; R312-V314 PolarHBondContact O-N 3.3Å; R312-Q315 PolarHBondContact O-N 2.97Å; R312-N316 PolarHBondContact O-N 3.45Å
313Q98.6Very high98.5Very high128 Ų12894.4 Ų94.460%0.59849%0.489SS*.Hα-helixtrans-60.1-43.1176.1-168.6-177.919.400111.7S309 L310 Q315 N316 A317S309-Q313 PolarHBondContact O-N 3.46Å; L310-Q313 PolarHBondContact O-N 3.37Å; Q313-Q315 VanDerWaalsContact C-N 3.34Å; Q313-Q315 PolarHBondContact O-N 3.47Å; Q313-N316 PolarHBondContact O-N 3.09Å; Q313-A317 WeakPolarHBondContact O-CB 3.24Å; Q313-A317 PolarHBondContact O-N 3.38Å
314V98.8Very high98.5Very high77 Ų7794.1 Ų94.147%0.46749%0.488SS..Hα-helixtrans-62-38.3176.2167.50000112.2L310 K311 R312 K318L310-V314 WeakPolarHBondContact O-CG2 3.23Å; L310-V314 PolarHBondContact O-N 3.33Å; K311-V314 PolarHBondContact O-N 3.13Å; R312-V314 VanDerWaalsContact C-N 3.35Å; R312-V314 PolarHBondContact O-N 3.3Å; V314-K318 HydrophobicContact CG1-CD 4.25Å; V314-K318 WeakPolarHBondContact O-CB 3.33Å; V314-K318 VanDerWaalsContact O-CG 3.28Å; V314-K318 WeakPolarHBondContact O-CG 3.48Å; V314-K318 PolarHBondContact O-N 3.22Å
315Q98.6Very high98.4Very high117 Ų11797.6 Ų97.655%0.54750%0.499SS..Hα-helixtrans-70.9-38.5176.5-60-65.117.200112.3K311 R312 Q313 K318 Q319K311-Q315 WeakPolarHBondContact O-CG 3.25Å; K311-Q315 PolarHBondContact O-N 2.86Å; K311-Q315 VanDerWaalsContact O-N 3.16Å; R312-Q315 PolarHBondContact O-N 2.97Å; Q313-Q315 VanDerWaalsContact C-N 3.34Å; Q313-Q315 PolarHBondContact O-N 3.47Å; Q315-K318 WeakPolarHBondContact O-CB 3.41Å; Q315-K318 PolarHBondContact O-N 2.95Å; Q315-K318 VanDerWaalsContact OE1-CD 3.23Å; Q315-Q319 PolarHBondContact O-N 3.37Å
316N98.6Very high98.4Very high94 Ų9498.8 Ų98.850%0.50350%0.503SS..Hα-helixtrans-62.6-46.5172.9176.9-99000111.6R312 Q313 K318 Q319 V320R312-N316 PolarHBondContact O-N 3.45Å; Q313-N316 PolarHBondContact O-N 3.09Å; N316-K318 VanDerWaalsContact C-N 3.31Å; N316-K318 PolarHBondContact O-N 2.82Å; N316-Q319 WeakPolarHBondContact O-CB 3.44Å; N316-Q319 PolarHBondContact O-N 2.97Å; N316-Q319 VanDerWaalsContact O-N 3.09Å; N316-V320 WeakPolarHBondContact O-CG2 3.31Å; N316-V320 PolarHBondContact O-N 2.94Å
317A98.5Very high98.2Very high41 Ų41102.7 Ų102.734%0.33952%0.519SS..Hα-helixtrans-60.4-38.2175.600000112.4Q313 N321Q313-A317 WeakPolarHBondContact O-CB 3.24Å; Q313-A317 PolarHBondContact O-N 3.38Å; A317-N321 WeakPolarHBondContact O-CB 3.37Å; A317-N321 PolarHBondContact O-N 3.38Å; A317-N321 PolarHBondContact O-ND2 3.33Å; A317-N321 VanDerWaalsContact O-ND2 3.16Å
318K98.6Very high98.1Very high121 Ų121106 Ų10653%0.52653%0.533SS..Hα-helixtrans-62.1-43.4171.8-78.4168176.5-178.60112.4V314 Q315 N316 N321 S322V314-K318 HydrophobicContact CG1-CD 4.25Å; V314-K318 WeakPolarHBondContact O-CB 3.33Å; V314-K318 VanDerWaalsContact O-CG 3.28Å; V314-K318 WeakPolarHBondContact O-CG 3.48Å; V314-K318 PolarHBondContact O-N 3.22Å; Q315-K318 WeakPolarHBondContact O-CB 3.41Å; Q315-K318 PolarHBondContact O-N 2.95Å; Q315-K318 VanDerWaalsContact OE1-CD 3.23Å; N316-K318 VanDerWaalsContact C-N 3.31Å; N316-K318 PolarHBondContact O-N 2.82Å; K318-N321 PolarHBondContact O-N 3.46Å; K318-S322 WeakPolarHBondContact O-CB 3.34Å; K318-S322 PolarHBondContact O-N 2.96Å
319Q98.4Very high97.7Very high142 Ų142109.3 Ų109.366%0.66455%0.547SS*.Hα-helixtrans-62.9-48.1178.6-172.2-179.86.800111.4Q315 N316 S322 A323Q315-Q319 PolarHBondContact O-N 3.37Å; N316-Q319 WeakPolarHBondContact O-CB 3.44Å; N316-Q319 PolarHBondContact O-N 2.97Å; N316-Q319 VanDerWaalsContact O-N 3.09Å; Q319-S322 PolarHBondContact O-N 2.93Å; Q319-A323 PolarHBondContact O-N 2.89Å
320V98.4Very high97.3Very high72 Ų72110.3 Ų110.344%0.43657%0.566SS.*Hα-helixtrans-60.4-48.9176.1174.60000110.8N316 S322 A323 L324N316-V320 WeakPolarHBondContact O-CG2 3.31Å; N316-V320 PolarHBondContact O-N 2.94Å; V320-S322 VanDerWaalsContact C-N 3.28Å; V320-S322 PolarHBondContact O-N 2.89Å; V320-A323 PolarHBondContact O-N 2.81Å; V320-L324 HydrophobicContact CG1-CD1 4.02Å; V320-L324 HydrophobicContact CG1-CG 4.43Å; V320-L324 WeakPolarHBondContact O-CG 3.36Å; V320-L324 PolarHBondContact O-N 3.46Å
321N98.3Very high97Very high94 Ų94108 Ų10850%0.50357%0.566SS.*Hα-helixtrans-64.3-30.3178.4-73-26.3000113A317 K318 K325A317-N321 WeakPolarHBondContact O-CB 3.37Å; A317-N321 PolarHBondContact O-N 3.38Å; A317-N321 PolarHBondContact O-ND2 3.33Å; A317-N321 VanDerWaalsContact O-ND2 3.16Å; K318-N321 PolarHBondContact O-N 3.46Å; N321-K325 WeakPolarHBondContact O-CB 3.43Å; N321-K325 VanDerWaalsContact O-CG 3.28Å; N321-K325 WeakPolarHBondContact O-CG 3.49Å; N321-K325 PolarHBondContact O-N 2.96Å
322S98.2Very high96.9Very high78 Ų78108.2 Ų108.255%0.54557%0.571SS.*Hα-helixtrans-68.8-42.9173.8-162.70000111.6K318 Q319 V320 K325 Q326K318-S322 WeakPolarHBondContact O-CB 3.34Å; K318-S322 PolarHBondContact O-N 2.96Å; Q319-S322 PolarHBondContact O-N 2.93Å; V320-S322 VanDerWaalsContact C-N 3.28Å; V320-S322 PolarHBondContact O-N 2.89Å; S322-K325 PolarHBondContact O-N 3.45Å; S322-Q326 PolarHBondContact O-N 3.42Å
323A98.1Very high96.5Very high47 Ų47107.4 Ų107.439%0.38857%0.573SS.*Hα-helixtrans-66.3-38.117600000112.2Q319 V320 Q326 K327Q319-A323 PolarHBondContact O-N 2.89Å; V320-A323 PolarHBondContact O-N 2.81Å; A323-Q326 PolarHBondContact O-N 2.74Å; A323-K327 WeakPolarHBondContact O-CG 3.45Å; A323-K327 PolarHBondContact O-N 3.27Å
324L97.9Very high96.2Very high88 Ų88109.2 Ų109.246%0.46158%0.582SS.*Hα-helixtrans-66.3-42173.8-69.5174.9000112V320 Q326 K327 M328V320-L324 HydrophobicContact CG1-CD1 4.02Å; V320-L324 HydrophobicContact CG1-CG 4.43Å; V320-L324 WeakPolarHBondContact O-CG 3.36Å; V320-L324 PolarHBondContact O-N 3.46Å; L324-Q326 PolarHBondContact O-N 3.48Å; L324-K327 PolarHBondContact O-N 3.46Å; L324-M328 WeakPolarHBondContact O-CG 3.22Å; L324-M328 PolarHBondContact O-N 3.25Å; L324-M328 VanDerWaalsContact O-N 3.14Å
325K97.3Very high95.9Very high161 Ų161112.7 Ų112.770%0.759%0.591SS**Hα-helixtrans-59.7-43.5174.4-80.6179.8176.3-166.90112.5N321 S322 K327 M328 E329N321-K325 WeakPolarHBondContact O-CB 3.43Å; N321-K325 VanDerWaalsContact O-CG 3.28Å; N321-K325 WeakPolarHBondContact O-CG 3.49Å; N321-K325 PolarHBondContact O-N 2.96Å; S322-K325 PolarHBondContact O-N 3.45Å; K325-K327 VanDerWaalsContact C-N 3.32Å; K325-K327 PolarHBondContact O-N 3.18Å; K325-M328 CarbonylContact O-C 3.44Å; K325-M328 PolarHBondContact O-N 3.04Å; K325-M328 VanDerWaalsContact O-N 3.1Å; K325-E329 PolarHBondContact O-N 3.35Å; K325-E329 VanDerWaalsContact O-N 3.13Å
326Q97.1Very high95.7Very high140 Ų140112.1 Ų112.165%0.65459%0.587SS**Hα-helixtrans-64.7-36176.5-168179.420.300112.2S322 A323 L324 M328 E329S322-Q326 PolarHBondContact O-N 3.42Å; A323-Q326 PolarHBondContact O-N 2.74Å; L324-Q326 PolarHBondContact O-N 3.48Å; Q326-M328 PolarHBondContact O-N 3.4Å; Q326-E329 VanDerWaalsContact O-CB 3.29Å; Q326-E329 WeakPolarHBondContact O-CB 3.45Å; Q326-E329 PolarHBondContact O-N 3.41Å
327K95.8Very high95.2Very high175 Ų175112.3 Ų112.376%0.76159%0.593SS**Hα-helixtrans-69.1-15.6173-75.1-178.3175.9-170.60114.4A323 L324 K325A323-K327 WeakPolarHBondContact O-CG 3.45Å; A323-K327 PolarHBondContact O-N 3.27Å; L324-K327 PolarHBondContact O-N 3.46Å; K325-K327 VanDerWaalsContact C-N 3.32Å; K325-K327 PolarHBondContact O-N 3.18Å
328M94.8Very high94.8Very high146 Ų146116.5 Ų116.572%0.71962%0.617SS**THydrogen-bonded Turntrans-108.510.6176.3-62.4-179.972.900112.1L324 K325 Q326 G331L324-M328 WeakPolarHBondContact O-CG 3.22Å; L324-M328 PolarHBondContact O-N 3.25Å; L324-M328 VanDerWaalsContact O-N 3.14Å; K325-M328 CarbonylContact O-C 3.44Å; K325-M328 PolarHBondContact O-N 3.04Å; K325-M328 VanDerWaalsContact O-N 3.1Å; Q326-M328 PolarHBondContact O-N 3.4Å; M328-G331 PolarHBondContact O-N 3.44Å; M328-G331 VanDerWaalsContact O-N 3.14Å
329E92.1Very high94.1Very high157 Ų157117.2 Ų117.273%0.73462%0.622SS**THydrogen-bonded Turntrans-71.9132.2177.7-165.8148.4-137.800109.6K325 Q326K325-E329 PolarHBondContact O-N 3.35Å; K325-E329 VanDerWaalsContact O-N 3.13Å; Q326-E329 VanDerWaalsContact O-CB 3.29Å; Q326-E329 WeakPolarHBondContact O-CB 3.45Å; Q326-E329 PolarHBondContact O-N 3.41Å
330G89.4Confident93.3Very high73 Ų73114.6 Ų114.675%0.75362%0.62SS**THydrogen-bonded Turntrans101.5-26.5-163.600000113.9
331G92.9Very high92.6Very high48 Ų48118.4 Ų118.450%0.49564%0.637SS.*THydrogen-bonded Turntrans72.6-135.9176.400000113.1M328M328-G331 PolarHBondContact O-N 3.44Å; M328-G331 VanDerWaalsContact O-N 3.14Å
332I94.9Very high92.3Very high121 Ų121119.2 Ų119.262%0.62164%0.638SS**THydrogen-bonded Turntrans-133.11017963.4168.8000114E334 F335 K336I332-E334 VanDerWaalsContact C-N 3.29Å; I332-E334 PolarHBondContact O-N 3.35Å; I332-F335 PolarHBondContact O-N 3.22Å; I332-K336 PolarHBondContact O-N 2.84Å
333E92.1Very high92Very high135 Ų135124.7 Ų124.763%0.63165%0.652SS**G310 helixtrans-64.3-32.9-173.1-59.8-57.2133.100112.4F335 K336E333-F335 PolarHBondContact O-N 3.41Å; E333-K336 WeakPolarHBondContact O-CB 3.39Å; E333-K336 PolarHBondContact O-N 3.46Å
334E91.8Very high91.9Very high166 Ų166127 Ų12778%0.77666%0.657SS**G310 helixtrans-68.1-20.7174.366.5179.4-174.400113.8I332I332-E334 VanDerWaalsContact C-N 3.29Å; I332-E334 PolarHBondContact O-N 3.35Å
335F92.7Very high91.8Very high150 Ų150126.2 Ų126.266%0.65865%0.653SS**G310 helixtrans-96.3-3.3175.4-55.1-67.5000112.8I332 E333 P337I332-F335 PolarHBondContact O-N 3.22Å; E333-F335 PolarHBondContact O-N 3.41Å; F335-P337 WeakPolarHBondContact O-CD 3.28Å
336K93.1Very high91.6Very high106 Ų106122.1 Ų122.146%0.46165%0.649SS.*PPolyproline II helixtrans-76.6117.8-177.9-170.5-176.2173.6-169.10109.9I332 E333 E339I332-K336 PolarHBondContact O-N 2.84Å; E333-K336 WeakPolarHBondContact O-CB 3.39Å; E333-K336 PolarHBondContact O-N 3.46Å; K336-E339 VanDerWaalsContact CE-OE1 3.27Å; K336-E339 WeakPolarHBondContact CE-OE1 3.4Å; K336-E339 IonicContact NZ-OE1 3.79Å; K336-E339 PolarHBondContact NZ-OE1 3.03Å
337P89Confident91.6Very high98 Ų98124.4 Ų124.464%0.63665%0.652SS**PPolyproline II helixtrans-69.2153.2178.129.5-35.1000111.3F335 E339F335-P337 WeakPolarHBondContact O-CD 3.28Å; P337-E339 PolarHBondContact O-N 3.32Å
338P89.3Confident91.7Very high129 Ų129118.4 Ų118.484%0.83863%0.625SS**PPolyproline II helixtrans-57.6134.9174.6-2534.8000112.6S340P338-S340 PolarHBondContact O-N 3.47Å
339E84.9Confident91.8Very high135 Ų135114 Ų11463%0.63161%0.607SS**PPolyproline II helixtrans-72.6120.6-175.3-67-179.6-176.300112.2K336 P337 N341K336-E339 VanDerWaalsContact CE-OE1 3.27Å; K336-E339 WeakPolarHBondContact CE-OE1 3.4Å; K336-E339 IonicContact NZ-OE1 3.79Å; K336-E339 PolarHBondContact NZ-OE1 3.03Å; P337-E339 PolarHBondContact O-N 3.32Å; E339-N341 PolarHBondContact O-N 3.47Å; E339-N341 PolarHBondContact O-ND2 3.22Å
340S82.2Confident92.1Very high88 Ų88111.7 Ų111.762%0.61560%0.603SS**  trans-74.291.2-174.847.30000112.6P338 Q342P338-S340 PolarHBondContact O-N 3.47Å; S340-Q342 PolarHBondContact O-N 3.14Å
341N83.3Confident92.5Very high151 Ų151115 Ų11581%0.80760%0.599SS**  trans-76.942.3179.9-81.5-100.5000113.8E339E339-N341 PolarHBondContact O-N 3.47Å; E339-N341 PolarHBondContact O-ND2 3.22Å
342Q90.9Very high92.7Very high111 Ų111113.4 Ų113.452%0.51958%0.578SS.*PPolyproline II helixtrans-77137.6178.2-63.8-160.937.500111.6S340 N376S340-Q342 PolarHBondContact O-N 3.14Å; Q342-N376 HydrophobicContact CB-CB 4.17Å
343K93.4Very high92.8Very high193 Ų193109 Ų10984%0.83956%0.555SS**PPolyproline II helixtrans-81.3129.9175.7-67.2-175.5179.3-178.90110.3N345K343-N345 PolarHBondContact O-N 3.35Å
344I95.6Very high93.1Very high97 Ų97107 Ų10750%0.49755%0.549SS..PPolyproline II helixtrans-54.3129177.7-61.7-58.4000111.1N376 T378I344-N376 CarbonylContact C-O 3.58Å; I344-N376 VanDerWaalsContact CA-O 3.31Å; I344-N376 WeakPolarHBondContact CA-O 3.29Å; I344-T378 HydrophobicContact CD1-CG2 4.07Å; I344-T378 HydrophobicContact CG1-CG2 4.2Å; I344-T378 HydrophobicContact CG2-CG2 3.7Å
345N94.6Very high93.4Very high70 Ų70101.9 Ų101.937%0.37453%0.526SS..  trans-129.3118.9-175.8-175-1.5000111.4K343 R347 N376 K377K343-N345 PolarHBondContact O-N 3.35Å; N345-R347 VanDerWaalsContact C-N 3.31Å; N345-R347 PolarHBondContact O-N 2.89Å; N345-R347 WeakPolarHBondContact OD1-CB 3.26Å; N345-R347 PolarHBondContact OD1-N 3.07Å; N345-N376 PolarHBondContact N-O 3.37Å; N345-K377 WeakPolarHBondContact O-CD 3.3Å; N345-K377 VanDerWaalsContact O-CE 3.29Å; N345-K377 WeakPolarHBondContact O-CE 3.4Å; N345-K377 PolarHBondContact O-NZ 3.32Å
346A94.9Very high93.6Very high75 Ų7594.8 Ų94.862%0.6250%0.495SS*.SBendtrans-74.3-15.7-179.500000114.4
347R96.6Very high93.8Very high189 Ų18991.1 Ų91.171%0.71348%0.481SS*.SBendtrans-75.4137.5172-174.5178.1-61.3-79.4-1.7109.2N345 E352 K377N345-R347 VanDerWaalsContact C-N 3.31Å; N345-R347 PolarHBondContact O-N 2.89Å; N345-R347 WeakPolarHBondContact OD1-CB 3.26Å; N345-R347 PolarHBondContact OD1-N 3.07Å; R347-E352 VanDerWaalsContact O-OE2 3.04Å; R347-K377 WeakPolarHBondContact O-CE 3.41Å; R347-K377 PolarHBondContact O-NZ 3.37Å
348W97.5Very high94.2Very high48 Ų4892.3 Ų92.318%0.18248%0.478CS..PPolyproline II helixtrans-98.8117.2172.2-7489.9000110.4E352 Q353 A356 I374 K377 Q381 V382 F385W348-E352 VanDerWaalsContact CA-OE2 3.26Å; W348-E352 WeakPolarHBondContact CA-OE2 3.29Å; W348-E352 HydrophobicContact CE3-CB 3.86Å; W348-E352 HydrophobicContact CZ3-CB 4.19Å; W348-Q353 HydrophobicContact CB-CG 4.07Å; W348-Q353 HydrophobicContact CE3-CG 4.06Å; W348-A356 HydrophobicContact CH2-CB 4.32Å; W348-A356 HydrophobicContact CZ3-CB 3.94Å; W348-I374 HydrophobicContact CH2-CD1 4.07Å; W348-I374 HydrophobicContact CZ3-CD1 4.08Å; W348-K377 HydrophobicContact CD2-CD 4.2Å; W348-K377 VanDerWaalsContact CD2-CE 3.48Å; W348-K377 HydrophobicContact CE3-CD 4.38Å; W348-K377 HydrophobicContact CH2-CB 4.32Å; W348-K377 HydrophobicContact CH2-CD 3.89Å; W348-K377 HydrophobicContact CH2-CG 3.69Å; W348-K377 HydrophobicContact CZ2-CD 3.66Å; W348-K377 HydrophobicContact CZ2-CG 3.96Å; W348-K377 HydrophobicContact CZ3-CD 4.24Å; W348-K377 HydrophobicContact CZ3-CG 4.02Å; W348-Q381 HydrophobicContact CZ2-CB 4.29Å; W348-V382 HydrophobicContact CH2-CG2 4.47Å; W348-F385 HydrophobicContact CD2-CD2 4.23Å; W348-F385 HydrophobicContact CE3-CD2 4.22Å; W348-F385 HydrophobicContact CH2-CB 3.9Å; W348-F385 HydrophobicContact CH2-CD2 4.31Å; W348-F385 HydrophobicContact CH2-CG 4.04Å; W348-F385 HydrophobicContact CZ2-CB 3.59Å; W348-F385 HydrophobicContact CZ2-CD2 4.34Å; W348-F385 HydrophobicContact CZ2-CG 4.13Å; W348-F385 HydrophobicContact CZ3-CD2 4.26Å; W348-F385 HydrophobicContact CZ3-CG 4.35Å
349T97.3Very high94.6Very high55 Ų5586.2 Ų86.234%0.33744%0.44SS..PPolyproline II helixtrans-78.9167.5167.674.80000110.4E351 E352 Q353T349-E351 VanDerWaalsContact C-N 3.31Å; T349-E351 PolarHBondContact OG1-N 3.28Å; T349-E352 HydrophobicContact CG2-CG 4.48Å; T349-E352 PolarHBondContact N-OE2 2.57Å; T349-E352 VanDerWaalsContact OG1-CG 3.23Å; T349-E352 WeakPolarHBondContact OG1-CG 3.39Å; T349-E352 PolarHBondContact OG1-N 2.75Å; T349-E352 VanDerWaalsContact OG1-N 3.09Å; T349-Q353 VanDerWaalsContact O-CG 3.24Å; T349-Q353 WeakPolarHBondContact O-CG 3.45Å; T349-Q353 PolarHBondContact O-N 3.46Å; T349-Q353 PolarHBondContact O-NE2 2.97Å
350T97.4Very high95.1Very high107 Ų10780 Ų8066%0.65641%0.41SS*.Hα-helixtrans-64.4-38.3174.9-47.90000111.6Q353 L354T350-Q353 PolarHBondContact O-N 2.93Å; T350-L354 HydrophobicContact CG2-CD1 4.42Å; T350-L354 WeakPolarHBondContact O-CG 3.49Å; T350-L354 PolarHBondContact O-N 2.9Å
351E97.6Very high95.8Very high144 Ų14478.8 Ų78.867%0.67339%0.392SS*.Hα-helixtrans-61.5-49.7176.6178.8176.9-151.600111.8T349 Q353 L354 L355T349-E351 VanDerWaalsContact C-N 3.31Å; T349-E351 PolarHBondContact OG1-N 3.28Å; E351-Q353 VanDerWaalsContact C-N 3.26Å; E351-Q353 PolarHBondContact O-N 3.36Å; E351-L354 PolarHBondContact O-N 3.09Å; E351-L354 VanDerWaalsContact O-N 3.12Å; E351-L355 HydrophobicContact CG-CD1 4.31Å; E351-L355 WeakPolarHBondContact O-CG 3.39Å; E351-L355 PolarHBondContact O-N 3.29Å
352E97.6Very high96.4Very high13 Ų1377.9 Ų77.96%0.06138%0.381CS..Hα-helixtrans-61.1-34.2177.3-68164.8169.400112.4R347 W348 T349 A356 I374 N376 K377R347-E352 VanDerWaalsContact O-OE2 3.04Å; W348-E352 VanDerWaalsContact CA-OE2 3.26Å; W348-E352 WeakPolarHBondContact CA-OE2 3.29Å; W348-E352 HydrophobicContact CE3-CB 3.86Å; W348-E352 HydrophobicContact CZ3-CB 4.19Å; T349-E352 HydrophobicContact CG2-CG 4.48Å; T349-E352 PolarHBondContact N-OE2 2.57Å; T349-E352 VanDerWaalsContact OG1-CG 3.23Å; T349-E352 WeakPolarHBondContact OG1-CG 3.39Å; T349-E352 PolarHBondContact OG1-N 2.75Å; T349-E352 VanDerWaalsContact OG1-N 3.09Å; E352-A356 WeakPolarHBondContact O-CB 3.49Å; E352-A356 PolarHBondContact O-N 3.44Å; E352-I374 HydrophobicContact CB-CG2 4.19Å; E352-I374 HydrophobicContact CG-CG2 4.07Å; E352-N376 PolarHBondContact OE1-ND2 2.9Å; E352-N376 PolarHBondContact OE1-OD1 2.93Å; E352-K377 IonicContact OE1-NZ 2.71Å; E352-K377 PolarHBondContact OE1-NZ 2.97Å; E352-K377 VanDerWaalsContact OE1-NZ 3.09Å; E352-K377 VanDerWaalsContact OE2-CE 3.31Å; E352-K377 WeakPolarHBondContact OE2-CE 3.28Å; E352-K377 IonicContact OE2-NZ 3.38Å; E352-K377 PolarHBondContact OE2-NZ 3.08Å
353Q97.4Very high96.7Very high30 Ų3076 Ų7614%0.1437%0.37CS..Hα-helixtrans-69.2-41.1175.2-68.916975.200111.5W348 T349 T350 E351 A356 V357 F385 F393W348-Q353 HydrophobicContact CB-CG 4.07Å; W348-Q353 HydrophobicContact CE3-CG 4.06Å; T349-Q353 VanDerWaalsContact O-CG 3.24Å; T349-Q353 WeakPolarHBondContact O-CG 3.45Å; T349-Q353 PolarHBondContact O-N 3.46Å; T349-Q353 PolarHBondContact O-NE2 2.97Å; T350-Q353 PolarHBondContact O-N 2.93Å; E351-Q353 VanDerWaalsContact C-N 3.26Å; E351-Q353 PolarHBondContact O-N 3.36Å; Q353-A356 PolarHBondContact O-N 3.34Å; Q353-V357 VanDerWaalsContact O-CG2 3.32Å; Q353-V357 WeakPolarHBondContact O-CG2 3.49Å; Q353-V357 PolarHBondContact O-N 2.92Å; Q353-F385 HydrophobicContact CB-CE2 4.11Å; Q353-F385 HydrophobicContact CB-CZ 4.34Å; Q353-F385 HydrophobicContact CG-CE2 3.81Å; Q353-F393 HydrophobicContact CB-CE2 4.05Å; Q353-F393 HydrophobicContact CB-CZ 4.17Å
354L97.6Very high96.7Very high93 Ų9366.8 Ų66.849%0.48733%0.33SS..Hα-helixtrans-68.2-36.6175.3-68.5171.3000112T350 E351 V357 Q358T350-L354 HydrophobicContact CG2-CD1 4.42Å; T350-L354 WeakPolarHBondContact O-CG 3.49Å; T350-L354 PolarHBondContact O-N 2.9Å; E351-L354 PolarHBondContact O-N 3.09Å; E351-L354 VanDerWaalsContact O-N 3.12Å; L354-V357 PolarHBondContact O-N 3.48Å; L354-Q358 WeakPolarHBondContact O-CB 3.33Å; L354-Q358 WeakPolarHBondContact O-CG 3.45Å; L354-Q358 PolarHBondContact O-N 2.86Å; L354-Q358 PolarHBondContact O-NE2 2.96Å
355L98Very high96.8Very high58 Ų5867.2 Ų67.230%0.30433%0.328SS..Hα-helixtrans-64-40.8171.2-71.8172.7000111.5E351 Q358 G359 I374E351-L355 HydrophobicContact CG-CD1 4.31Å; E351-L355 WeakPolarHBondContact O-CG 3.39Å; E351-L355 PolarHBondContact O-N 3.29Å; L355-Q358 PolarHBondContact O-N 3.32Å; L355-G359 PolarHBondContact O-N 3.47Å; L355-I374 HydrophobicContact CB-CG1 4.1Å
356A97.6Very high96.9Very high1 Ų167.7 Ų67.71%0.00833%0.331CS..Hα-helixtrans-65.2-39.8176.100000113W348 E352 Q353 G359 V360 I374 F385W348-A356 HydrophobicContact CH2-CB 4.32Å; W348-A356 HydrophobicContact CZ3-CB 3.94Å; E352-A356 WeakPolarHBondContact O-CB 3.49Å; E352-A356 PolarHBondContact O-N 3.44Å; Q353-A356 PolarHBondContact O-N 3.34Å; A356-G359 PolarHBondContact O-N 3.43Å; A356-V360 WeakPolarHBondContact O-CG2 3.44Å; A356-V360 PolarHBondContact O-N 3.16Å; A356-I374 HydrophobicContact CB-CD1 3.8Å; A356-F385 HydrophobicContact CB-CD1 3.71Å; A356-F385 HydrophobicContact CB-CE1 3.38Å; A356-F385 HydrophobicContact CB-CG 4.44Å; A356-F385 HydrophobicContact CB-CZ 3.88Å
357V97.7Very high97Very high28 Ų2866 Ų6617%0.1731%0.309CS..Hα-helixtrans-65.2-47.5175.5174.60000111.2Q353 L354 G359 V360 R361 F385 F393 L395Q353-V357 VanDerWaalsContact O-CG2 3.32Å; Q353-V357 WeakPolarHBondContact O-CG2 3.49Å; Q353-V357 PolarHBondContact O-N 2.92Å; L354-V357 PolarHBondContact O-N 3.48Å; V357-G359 PolarHBondContact O-N 2.96Å; V357-V360 PolarHBondContact O-N 3.39Å; V357-R361 PolarHBondContact O-N 3.19Å; V357-F385 HydrophobicContact CG2-CE1 4.49Å; V357-F385 HydrophobicContact CG2-CZ 4.24Å; V357-F393 HydrophobicContact CG2-CB 3.65Å; V357-F393 HydrophobicContact CG2-CD1 4.34Å; V357-F393 HydrophobicContact CG2-CD2 3.65Å; V357-F393 HydrophobicContact CG2-CE2 4.34Å; V357-F393 HydrophobicContact CG2-CG 3.65Å; V357-L395 HydrophobicContact CG2-CD2 4.02Å
358Q96.9Very high97.1Very high123 Ų12361.6 Ų61.658%0.57530%0.297SS*.Hα-helixtrans-61.5-35173.7-72.3168.995.400111.9L354 L355 R361 K362L354-Q358 WeakPolarHBondContact O-CB 3.33Å; L354-Q358 WeakPolarHBondContact O-CG 3.45Å; L354-Q358 PolarHBondContact O-N 2.86Å; L354-Q358 PolarHBondContact O-NE2 2.96Å; L355-Q358 PolarHBondContact O-N 3.32Å; Q358-R361 PolarHBondContact O-N 3.06Å; Q358-K362 WeakPolarHBondContact O-CB 3.35Å; Q358-K362 PolarHBondContact O-N 3.26Å; Q358-K362 VanDerWaalsContact O-N 3.07Å
359G97.2Very high97.1Very high2 Ų260.1 Ų60.12%0.02130%0.295CS..Hα-helixtrans-60.1-51.317300000112.1L355 A356 V357 R361 K362 Y363L355-G359 PolarHBondContact O-N 3.47Å; A356-G359 PolarHBondContact O-N 3.43Å; V357-G359 PolarHBondContact O-N 2.96Å; G359-R361 VanDerWaalsContact C-N 3.26Å; G359-R361 PolarHBondContact O-N 3.07Å; G359-K362 PolarHBondContact O-N 3.1Å; G359-Y363 WeakPolarHBondContact O-CB 3.37Å; G359-Y363 WeakPolarHBondContact O-CD2 3.2Å; G359-Y363 PolarHBondContact O-N 3.37Å
360V96.7Very high97.1Very high3 Ų357.5 Ų57.52%0.01828%0.279CS..Hα-helixtrans-57.7-41.2173.6173.40000110.8A356 V357 K362 G364 I370 F386 V398 L399A356-V360 WeakPolarHBondContact O-CG2 3.44Å; A356-V360 PolarHBondContact O-N 3.16Å; V357-V360 PolarHBondContact O-N 3.39Å; V360-K362 VanDerWaalsContact C-N 3.26Å; V360-K362 PolarHBondContact O-N 3.13Å; V360-G364 WeakPolarHBondContact O-CA 3.49Å; V360-G364 PolarHBondContact O-N 2.92Å; V360-I370 HydrophobicContact CG2-CD1 4Å; V360-F386 HydrophobicContact CG1-CD2 4.49Å; V360-F386 HydrophobicContact CG1-CE2 3.96Å; V360-F386 HydrophobicContact CG2-CD2 3.9Å; V360-F386 HydrophobicContact CG2-CE2 4.2Å; V360-V398 HydrophobicContact CB-CG1 4.39Å; V360-V398 HydrophobicContact CG1-CG1 4.06Å; V360-L399 HydrophobicContact CG1-CB 4.36Å
361R95.9Very high97.1Very high63 Ų6352.6 Ų52.624%0.23825%0.25CC..Hα-helixtrans-66-23.9-179.7-171.548.2-176.178.6-3.5114.7V357 Q358 G359 V398 E401 E405V357-R361 PolarHBondContact O-N 3.19Å; Q358-R361 PolarHBondContact O-N 3.06Å; G359-R361 VanDerWaalsContact C-N 3.26Å; G359-R361 PolarHBondContact O-N 3.07Å; R361-V398 HydrophobicContact CB-CG1 3.59Å; R361-V398 VanDerWaalsContact CD-O 3.3Å; R361-V398 WeakPolarHBondContact CD-O 3.47Å; R361-V398 HydrophobicContact CG-CG1 4.21Å; R361-E401 IonicContact CZ-OE2 2.73Å; R361-E401 VanDerWaalsContact CZ-OE2 3.25Å; R361-E401 IonicContact NE-OE2 3.25Å; R361-E401 PolarHBondContact NE-OE2 3.49Å; R361-E401 IonicContact NH2-OE2 2.67Å; R361-E401 PolarHBondContact NH2-OE2 2.58Å; R361-E405 IonicContact CZ-OE1 2.68Å; R361-E405 IonicContact CZ-OE2 3.41Å; R361-E405 VanDerWaalsContact NH1-CD 3.3Å; R361-E405 IonicContact NH1-OE1 3.48Å; R361-E405 PolarHBondContact NH1-OE1 3.04Å; R361-E405 IonicContact NH1-OE2 3.59Å; R361-E405 PolarHBondContact NH1-OE2 3.28Å; R361-E405 IonicContact NH2-OE1 3.72Å; R361-E405 PolarHBondContact NH2-OE1 2.97Å; R361-E405 IonicContact NH2-OE2 2.73Å
362K95.8Very high97Very high133 Ų13350.5 Ų50.558%0.57824%0.243SC*.Hα-helixtrans-107.4-31.1-175.2-175.1175176.7-167.40113.8Q358 G359 V360 W402Q358-K362 WeakPolarHBondContact O-CB 3.35Å; Q358-K362 PolarHBondContact O-N 3.26Å; Q358-K362 VanDerWaalsContact O-N 3.07Å; G359-K362 PolarHBondContact O-N 3.1Å; V360-K362 VanDerWaalsContact C-N 3.26Å; V360-K362 PolarHBondContact O-N 3.13Å; K362-W402 VanDerWaalsContact C-CD1 3.44Å; K362-W402 VanDerWaalsContact C-NE1 3.29Å; K362-W402 PolarHBondContact O-NE1 3.13Å
363Y96.6Very high96.9Very high70 Ų7053.2 Ų53.228%0.27526%0.26SS..Hα-helixtrans-121.81.4-174.4-52.2-80.3000112.9G359 K365 D366 A369 I370 V373G359-Y363 WeakPolarHBondContact O-CB 3.37Å; G359-Y363 WeakPolarHBondContact O-CD2 3.2Å; G359-Y363 PolarHBondContact O-N 3.37Å; Y363-K365 PolarHBondContact O-N 2.87Å; Y363-K365 VanDerWaalsContact O-N 3.09Å; Y363-D366 WeakPolarHBondContact O-CB 3.45Å; Y363-D366 PolarHBondContact O-N 2.9Å; Y363-A369 HydrophobicContact CD1-CB 3.82Å; Y363-A369 HydrophobicContact CE1-CB 4.28Å; Y363-A369 HydrophobicContact CG-CB 3.96Å; Y363-I370 HydrophobicContact CD2-CG1 4.32Å; Y363-V373 HydrophobicContact CE2-CG2 3.97Å
364G95.3Very high96.8Very high0 Ų052.2 Ų52.20%026%0.256CS..THydrogen-bonded Turntrans61.1-110.3175.900000112.7V360V360-G364 WeakPolarHBondContact O-CA 3.49Å; V360-G364 PolarHBondContact O-N 2.92Å
365K96Very high96.7Very high106 Ų10648.7 Ų48.746%0.46124%0.242SC..THydrogen-bonded Turntrans-1019.1179.4-68.8160.4-179.6136.20113.3Y363 F367 L399 E403Y363-K365 PolarHBondContact O-N 2.87Å; Y363-K365 VanDerWaalsContact O-N 3.09Å; K365-F367 VanDerWaalsContact C-N 3.27Å; K365-F367 HydrophobicContact CB-CE2 4.27Å; K365-F367 HydrophobicContact CB-CZ 4.28Å; K365-F367 HydrophobicContact CG-CZ 4.43Å; K365-F367 WeakPolarHBondContact O-CD2 3.46Å; K365-F367 VanDerWaalsContact O-CE2 3.32Å; K365-F367 WeakPolarHBondContact O-CE2 3.31Å; K365-F367 WeakPolarHBondContact O-CG 3.43Å; K365-F367 PolarHBondContact O-N 3.15Å; K365-L399 HydrophobicContact CD-CD1 4.4Å; K365-L399 HydrophobicContact CD-CD2 4.42Å; K365-L399 HydrophobicContact CG-CD1 4.03Å; K365-L399 HydrophobicContact CG-CD2 4.48Å; K365-E403 IonicContact NZ-OE1 2.74Å; K365-E403 PolarHBondContact NZ-OE1 2.77Å
366D97.3Very high96.6Very high81 Ų8146.8 Ų46.843%0.43323%0.232SC..  trans-74.682.9171.2-172-11.1000111Y363 Q368 A369 I370Y363-D366 WeakPolarHBondContact O-CB 3.45Å; Y363-D366 PolarHBondContact O-N 2.9Å; D366-Q368 PolarHBondContact O-N 2.82Å; D366-Q368 VanDerWaalsContact O-N 3.17Å; D366-Q368 WeakPolarHBondContact OD1-CA 3.44Å; D366-Q368 WeakPolarHBondContact OD1-CB 3.44Å; D366-Q368 PolarHBondContact OD1-N 3.19Å; D366-A369 HydrophobicContact CB-CB 4.2Å; D366-A369 PolarHBondContact O-N 2.89Å; D366-A369 PolarHBondContact OD1-N 3.07Å; D366-A369 WeakPolarHBondContact OD2-CB 3.4Å; D366-I370 WeakPolarHBondContact O-CD1 3.21Å; D366-I370 WeakPolarHBondContact O-CG1 3.39Å; D366-I370 PolarHBondContact O-N 3.38Å; D366-I370 VanDerWaalsContact O-N 3.11Å
367F97.9Very high96.6Very high38 Ų3847 Ų4717%0.16723%0.233CC..Hα-helixtrans-67-7.7177.5-53.5-65.2000114.1K365 A371 V379 V382 K383 F386K365-F367 VanDerWaalsContact C-N 3.27Å; K365-F367 HydrophobicContact CB-CE2 4.27Å; K365-F367 HydrophobicContact CB-CZ 4.28Å; K365-F367 HydrophobicContact CG-CZ 4.43Å; K365-F367 WeakPolarHBondContact O-CD2 3.46Å; K365-F367 VanDerWaalsContact O-CE2 3.32Å; K365-F367 WeakPolarHBondContact O-CE2 3.31Å; K365-F367 WeakPolarHBondContact O-CG 3.43Å; K365-F367 PolarHBondContact O-N 3.15Å; F367-A371 VanDerWaalsContact O-CB 3.32Å; F367-A371 WeakPolarHBondContact O-CB 3.33Å; F367-A371 PolarHBondContact O-N 2.84Å; F367-V379 HydrophobicContact CB-CG1 3.71Å; F367-V382 HydrophobicContact CB-CG1 4.45Å; F367-V382 HydrophobicContact CD1-CG1 3.96Å; F367-K383 HydrophobicContact CB-CG 4.04Å; F367-K383 HydrophobicContact CD1-CG 4.04Å; F367-K383 HydrophobicContact CD2-CD 4.12Å; F367-K383 HydrophobicContact CD2-CG 3.58Å; F367-K383 HydrophobicContact CE1-CG 4.39Å; F367-K383 HydrophobicContact CE2-CG 3.97Å; F367-K383 HydrophobicContact CG-CD 4.45Å; F367-K383 HydrophobicContact CG-CG 3.6Å; F367-K383 HydrophobicContact CZ-CG 4.35Å; F367-F386 HydrophobicContact CE1-CB 4.01Å; F367-F386 HydrophobicContact CE1-CD2 4.2Å; F367-F386 HydrophobicContact CE1-CG 4.05Å; F367-F386 HydrophobicContact CZ-CG 4.44Å
368Q97.8Very high96.6Very high97 Ų9748.5 Ų48.545%0.45324%0.242SC..Hα-helixtrans-84.2-56.2172-177.361.663.300109.5D366 I370 A371 D372 V379D366-Q368 PolarHBondContact O-N 2.82Å; D366-Q368 VanDerWaalsContact O-N 3.17Å; D366-Q368 WeakPolarHBondContact OD1-CA 3.44Å; D366-Q368 WeakPolarHBondContact OD1-CB 3.44Å; D366-Q368 PolarHBondContact OD1-N 3.19Å; Q368-I370 PolarHBondContact O-N 2.83Å; Q368-A371 WeakPolarHBondContact O-CA 3.48Å; Q368-A371 WeakPolarHBondContact O-CB 3.4Å; Q368-A371 PolarHBondContact O-N 2.93Å; Q368-D372 VanDerWaalsContact NE2-CG 3.26Å; Q368-D372 PolarHBondContact NE2-OD1 3.43Å; Q368-D372 PolarHBondContact NE2-OD2 2.9Å; Q368-D372 VanDerWaalsContact O-CG 3.26Å; Q368-D372 PolarHBondContact O-N 3.24Å; Q368-D372 VanDerWaalsContact O-OD2 3.13Å; Q368-V379 HydrophobicContact CB-CG2 4.39Å
369A97.5Very high96.7Very high18 Ų1844.3 Ų44.315%0.14923%0.225CC..Hα-helixtrans-55.4-3817600000112.6Y363 D366 D372 V373Y363-A369 HydrophobicContact CD1-CB 3.82Å; Y363-A369 HydrophobicContact CE1-CB 4.28Å; Y363-A369 HydrophobicContact CG-CB 3.96Å; D366-A369 HydrophobicContact CB-CB 4.2Å; D366-A369 PolarHBondContact O-N 2.89Å; D366-A369 PolarHBondContact OD1-N 3.07Å; D366-A369 WeakPolarHBondContact OD2-CB 3.4Å; A369-D372 PolarHBondContact O-N 3.1Å; A369-V373 WeakPolarHBondContact O-CB 3.49Å; A369-V373 VanDerWaalsContact O-CG2 3.28Å; A369-V373 WeakPolarHBondContact O-CG2 3.5Å; A369-V373 PolarHBondContact O-N 3.05Å
370I97.6Very high96.7Very high0 Ų046 Ų460%024%0.242CC..Hα-helixtrans-67.6-38.6175-62.1169.4000111.7V360 Y363 D366 Q368 I374 V382V360-I370 HydrophobicContact CG2-CD1 4Å; Y363-I370 HydrophobicContact CD2-CG1 4.32Å; D366-I370 WeakPolarHBondContact O-CD1 3.21Å; D366-I370 WeakPolarHBondContact O-CG1 3.39Å; D366-I370 PolarHBondContact O-N 3.38Å; D366-I370 VanDerWaalsContact O-N 3.11Å; Q368-I370 PolarHBondContact O-N 2.83Å; I370-I374 HydrophobicContact CG2-CD1 4Å; I370-I374 VanDerWaalsContact O-CD1 3.28Å; I370-I374 WeakPolarHBondContact O-CD1 3.15Å; I370-I374 VanDerWaalsContact O-CG1 3.24Å; I370-I374 WeakPolarHBondContact O-CG1 3.39Å; I370-I374 PolarHBondContact O-N 3.21Å; I370-V382 HydrophobicContact CB-CG1 4.02Å; I370-V382 HydrophobicContact CG2-CG1 3.45Å; I370-V382 VanDerWaalsContact CG2-CG1 3.45Å; I370-V382 HydrophobicContact CG2-CG2 4.4Å
371A97Very high96.7Very high4 Ų447.7 Ų47.73%0.03325%0.249CC..Hα-helixtrans-65.6-42.9175.500000111.4F367 Q368 I374 G375 V379 V382F367-A371 VanDerWaalsContact O-CB 3.32Å; F367-A371 WeakPolarHBondContact O-CB 3.33Å; F367-A371 PolarHBondContact O-N 2.84Å; Q368-A371 WeakPolarHBondContact O-CA 3.48Å; Q368-A371 WeakPolarHBondContact O-CB 3.4Å; Q368-A371 PolarHBondContact O-N 2.93Å; A371-I374 PolarHBondContact O-N 3.12Å; A371-G375 PolarHBondContact O-N 3.21Å; A371-V379 HydrophobicContact CB-CG2 4.23Å; A371-V382 HydrophobicContact CB-CG2 3.93Å
372D95.5Very high96.8Very high99 Ų9944.8 Ų44.853%0.52924%0.239SC..Hα-helixtrans-66.5-37.8-179.7-60-32.2000111.9Q368 A369 I374 G375Q368-D372 VanDerWaalsContact NE2-CG 3.26Å; Q368-D372 PolarHBondContact NE2-OD1 3.43Å; Q368-D372 PolarHBondContact NE2-OD2 2.9Å; Q368-D372 VanDerWaalsContact O-CG 3.26Å; Q368-D372 PolarHBondContact O-N 3.24Å; Q368-D372 VanDerWaalsContact O-OD2 3.13Å; A369-D372 PolarHBondContact O-N 3.1Å; D372-I374 VanDerWaalsContact C-N 3.33Å; D372-I374 PolarHBondContact O-N 2.64Å; D372-G375 PolarHBondContact O-N 2.92Å
373V95.4Very high96.9Very high70 Ų7043.5 Ų43.542%0.42423%0.233SC..Hα-helixtrans-65.8-31.7173.3165.40000112.9Y363 A369Y363-V373 HydrophobicContact CE2-CG2 3.97Å; A369-V373 WeakPolarHBondContact O-CB 3.49Å; A369-V373 VanDerWaalsContact O-CG2 3.28Å; A369-V373 WeakPolarHBondContact O-CG2 3.5Å; A369-V373 PolarHBondContact O-N 3.05Å
374I96.2Very high97Very high9 Ų944.9 Ų44.95%0.04625%0.245CC..Hα-helixtrans-82.8-24.3174.3-57.1158.5000111W348 E352 L355 A356 I370 A371 D372 N376 K377 V382W348-I374 HydrophobicContact CH2-CD1 4.07Å; W348-I374 HydrophobicContact CZ3-CD1 4.08Å; E352-I374 HydrophobicContact CB-CG2 4.19Å; E352-I374 HydrophobicContact CG-CG2 4.07Å; L355-I374 HydrophobicContact CB-CG1 4.1Å; A356-I374 HydrophobicContact CB-CD1 3.8Å; I370-I374 HydrophobicContact CG2-CD1 4Å; I370-I374 VanDerWaalsContact O-CD1 3.28Å; I370-I374 WeakPolarHBondContact O-CD1 3.15Å; I370-I374 VanDerWaalsContact O-CG1 3.24Å; I370-I374 WeakPolarHBondContact O-CG1 3.39Å; I370-I374 PolarHBondContact O-N 3.21Å; A371-I374 PolarHBondContact O-N 3.12Å; D372-I374 VanDerWaalsContact C-N 3.33Å; D372-I374 PolarHBondContact O-N 2.64Å; I374-N376 PolarHBondContact O-N 3.05Å; I374-K377 HydrophobicContact CB-CB 4.45Å; I374-K377 HydrophobicContact CB-CG 4.31Å; I374-K377 HydrophobicContact CD1-CG 4.45Å; I374-K377 HydrophobicContact CG2-CB 4.17Å; I374-K377 HydrophobicContact CG2-CG 3.53Å; I374-V382 HydrophobicContact CD1-CG2 4.14Å
375G95.1Very high97.1Very high19 Ų1945 Ų4520%0.19625%0.246CC..SBendtrans71.2-25.6173.700000116.2A371 D372A371-G375 PolarHBondContact O-N 3.21Å; D372-G375 PolarHBondContact O-N 2.92Å
376N96.4Very high97.1Very high18 Ų1841.1 Ų41.110%0.09623%0.229CC..SBendtrans-122.312-176.177.223.6000114.8Q342 I344 N345 E352 I374Q342-N376 HydrophobicContact CB-CB 4.17Å; I344-N376 CarbonylContact C-O 3.58Å; I344-N376 VanDerWaalsContact CA-O 3.31Å; I344-N376 WeakPolarHBondContact CA-O 3.29Å; N345-N376 PolarHBondContact N-O 3.37Å; E352-N376 PolarHBondContact OE1-ND2 2.9Å; E352-N376 PolarHBondContact OE1-OD1 2.93Å; I374-N376 PolarHBondContact O-N 3.05Å
377K97.4Very high97.1Very high6 Ų642.1 Ų42.13%0.02624%0.238CC..  trans-117.3145.2177.9-63.7-68.1179.2-84.30110.4N345 R347 W348 E352 I374 Q381 V382N345-K377 WeakPolarHBondContact O-CD 3.3Å; N345-K377 VanDerWaalsContact O-CE 3.29Å; N345-K377 WeakPolarHBondContact O-CE 3.4Å; N345-K377 PolarHBondContact O-NZ 3.32Å; R347-K377 WeakPolarHBondContact O-CE 3.41Å; R347-K377 PolarHBondContact O-NZ 3.37Å; W348-K377 HydrophobicContact CD2-CD 4.2Å; W348-K377 VanDerWaalsContact CD2-CE 3.48Å; W348-K377 HydrophobicContact CE3-CD 4.38Å; W348-K377 HydrophobicContact CH2-CB 4.32Å; W348-K377 HydrophobicContact CH2-CD 3.89Å; W348-K377 HydrophobicContact CH2-CG 3.69Å; W348-K377 HydrophobicContact CZ2-CD 3.66Å; W348-K377 HydrophobicContact CZ2-CG 3.96Å; W348-K377 HydrophobicContact CZ3-CD 4.24Å; W348-K377 HydrophobicContact CZ3-CG 4.02Å; E352-K377 IonicContact OE1-NZ 2.71Å; E352-K377 PolarHBondContact OE1-NZ 2.97Å; E352-K377 VanDerWaalsContact OE1-NZ 3.09Å; E352-K377 VanDerWaalsContact OE2-CE 3.31Å; E352-K377 WeakPolarHBondContact OE2-CE 3.28Å; E352-K377 IonicContact OE2-NZ 3.38Å; E352-K377 PolarHBondContact OE2-NZ 3.08Å; I374-K377 HydrophobicContact CB-CB 4.45Å; I374-K377 HydrophobicContact CB-CG 4.31Å; I374-K377 HydrophobicContact CD1-CG 4.45Å; I374-K377 HydrophobicContact CG2-CB 4.17Å; I374-K377 HydrophobicContact CG2-CG 3.53Å; K377-Q381 VanDerWaalsContact CA-OE1 3.32Å; K377-Q381 HydrophobicContact CB-CB 4.45Å; K377-Q381 HydrophobicContact CD-CB 4.37Å; K377-V382 HydrophobicContact CB-CG2 4.13Å
378T97.4Very high97Very high59 Ų5945.1 Ų45.136%0.36226%0.256SS..  trans-85.4156.3171.272.50000111.2I344 G380 Q381 V382I344-T378 HydrophobicContact CD1-CG2 4.07Å; I344-T378 HydrophobicContact CG1-CG2 4.2Å; I344-T378 HydrophobicContact CG2-CG2 3.7Å; T378-G380 PolarHBondContact O-N 3.01Å; T378-G380 VanDerWaalsContact O-N 3.1Å; T378-G380 PolarHBondContact OG1-N 3.27Å; T378-Q381 WeakPolarHBondContact O-CA 3.45Å; T378-Q381 WeakPolarHBondContact O-CB 3.49Å; T378-Q381 PolarHBondContact O-N 3.47Å; T378-Q381 PolarHBondContact OG1-N 3.24Å; T378-V382 PolarHBondContact O-N 3.45Å
379V97.9Very high96.8Very high36 Ų3642.3 Ų42.322%0.21824%0.241CC..Hα-helixtrans-49.2-37.6171.1-175.10000112.2F367 Q368 A371 V382 K383F367-V379 HydrophobicContact CB-CG1 3.71Å; Q368-V379 HydrophobicContact CB-CG2 4.39Å; A371-V379 HydrophobicContact CB-CG2 4.23Å; V379-V382 PolarHBondContact O-N 3.32Å; V379-K383 HydrophobicContact CG1-CD 4.26Å; V379-K383 WeakPolarHBondContact O-CB 3.47Å; V379-K383 VanDerWaalsContact O-CG 3.32Å; V379-K383 WeakPolarHBondContact O-CG 3.34Å; V379-K383 PolarHBondContact O-N 3.44Å
380G97.9Very high96.6Very high36 Ų3646.3 Ų46.337%0.37125%0.252SS..Hα-helixtrans-66.8-37.917500000113.3T378 N384T378-G380 PolarHBondContact O-N 3.01Å; T378-G380 VanDerWaalsContact O-N 3.1Å; T378-G380 PolarHBondContact OG1-N 3.27Å; G380-N384 WeakPolarHBondContact O-CB 3.46Å; G380-N384 PolarHBondContact O-N 3.47Å; G380-N384 PolarHBondContact O-ND2 2.93Å
381Q97.6Very high96.5Very high39 Ų3957.6 Ų57.618%0.18230%0.295CS..Hα-helixtrans-69-39.8174-70.7165.9-20.800111.5W348 K377 T378 N384 F385W348-Q381 HydrophobicContact CZ2-CB 4.29Å; K377-Q381 VanDerWaalsContact CA-OE1 3.32Å; K377-Q381 HydrophobicContact CB-CB 4.45Å; K377-Q381 HydrophobicContact CD-CB 4.37Å; T378-Q381 WeakPolarHBondContact O-CA 3.45Å; T378-Q381 WeakPolarHBondContact O-CB 3.49Å; T378-Q381 PolarHBondContact O-N 3.47Å; T378-Q381 PolarHBondContact OG1-N 3.24Å; Q381-N384 PolarHBondContact O-N 2.86Å; Q381-F385 PolarHBondContact O-N 2.9Å
382V98.1Very high96.4Very high2 Ų264.5 Ų64.51%0.01232%0.32CS..Hα-helixtrans-65.8-43.3176.2-176.80000111.6W348 F367 I370 A371 I374 K377 T378 V379 N384 F385 F386W348-V382 HydrophobicContact CH2-CG2 4.47Å; F367-V382 HydrophobicContact CB-CG1 4.45Å; F367-V382 HydrophobicContact CD1-CG1 3.96Å; I370-V382 HydrophobicContact CB-CG1 4.02Å; I370-V382 HydrophobicContact CG2-CG1 3.45Å; I370-V382 VanDerWaalsContact CG2-CG1 3.45Å; I370-V382 HydrophobicContact CG2-CG2 4.4Å; A371-V382 HydrophobicContact CB-CG2 3.93Å; I374-V382 HydrophobicContact CD1-CG2 4.14Å; K377-V382 HydrophobicContact CB-CG2 4.13Å; T378-V382 PolarHBondContact O-N 3.45Å; V379-V382 PolarHBondContact O-N 3.32Å; V382-N384 VanDerWaalsContact C-N 3.33Å; V382-N384 PolarHBondContact O-N 2.98Å; V382-F385 WeakPolarHBondContact O-CB 3.5Å; V382-F385 PolarHBondContact O-N 2.94Å; V382-F385 VanDerWaalsContact O-N 3.13Å; V382-F386 PolarHBondContact O-N 3.37Å
383K97.7Very high96.4Very high106 Ų10662.9 Ų62.946%0.46131%0.308SS..Hα-helixtrans-58.4-43.9172.5-75.8173.1178.2177.90112F367 V379 F386 V387F367-K383 HydrophobicContact CB-CG 4.04Å; F367-K383 HydrophobicContact CD1-CG 4.04Å; F367-K383 HydrophobicContact CD2-CD 4.12Å; F367-K383 HydrophobicContact CD2-CG 3.58Å; F367-K383 HydrophobicContact CE1-CG 4.39Å; F367-K383 HydrophobicContact CE2-CG 3.97Å; F367-K383 HydrophobicContact CG-CD 4.45Å; F367-K383 HydrophobicContact CG-CG 3.6Å; F367-K383 HydrophobicContact CZ-CG 4.35Å; V379-K383 HydrophobicContact CG1-CD 4.26Å; V379-K383 WeakPolarHBondContact O-CB 3.47Å; V379-K383 VanDerWaalsContact O-CG 3.32Å; V379-K383 WeakPolarHBondContact O-CG 3.34Å; V379-K383 PolarHBondContact O-N 3.44Å; K383-F386 PolarHBondContact O-N 3.23Å; K383-V387 PolarHBondContact O-N 3.1Å
384N97.5Very high96.3Very high100 Ų10063.6 Ų63.654%0.53531%0.31SS..Hα-helixtrans-65.1-36.5174.6-82.3-63.4000112.5G380 Q381 V382 N388G380-N384 WeakPolarHBondContact O-CB 3.46Å; G380-N384 PolarHBondContact O-N 3.47Å; G380-N384 PolarHBondContact O-ND2 2.93Å; Q381-N384 PolarHBondContact O-N 2.86Å; V382-N384 VanDerWaalsContact C-N 3.33Å; V382-N384 PolarHBondContact O-N 2.98Å; N384-N388 VanDerWaalsContact O-CB 3.29Å; N384-N388 WeakPolarHBondContact O-CB 3.37Å; N384-N388 PolarHBondContact O-N 3.4Å; N384-N388 PolarHBondContact O-ND2 3.38Å
385F97.4Very high96.3Very high3 Ų363.2 Ų63.21%0.01331%0.308CS..Hα-helixtrans-61.7-48.7173.2172.6-96.1000111.1W348 Q353 A356 V357 Q381 V382 V387 N388 Y389 F393 L395W348-F385 HydrophobicContact CD2-CD2 4.23Å; W348-F385 HydrophobicContact CE3-CD2 4.22Å; W348-F385 HydrophobicContact CH2-CB 3.9Å; W348-F385 HydrophobicContact CH2-CD2 4.31Å; W348-F385 HydrophobicContact CH2-CG 4.04Å; W348-F385 HydrophobicContact CZ2-CB 3.59Å; W348-F385 HydrophobicContact CZ2-CD2 4.34Å; W348-F385 HydrophobicContact CZ2-CG 4.13Å; W348-F385 HydrophobicContact CZ3-CD2 4.26Å; W348-F385 HydrophobicContact CZ3-CG 4.35Å; Q353-F385 HydrophobicContact CB-CE2 4.11Å; Q353-F385 HydrophobicContact CB-CZ 4.34Å; Q353-F385 HydrophobicContact CG-CE2 3.81Å; A356-F385 HydrophobicContact CB-CD1 3.71Å; A356-F385 HydrophobicContact CB-CE1 3.38Å; A356-F385 HydrophobicContact CB-CG 4.44Å; A356-F385 HydrophobicContact CB-CZ 3.88Å; V357-F385 HydrophobicContact CG2-CE1 4.49Å; V357-F385 HydrophobicContact CG2-CZ 4.24Å; Q381-F385 PolarHBondContact O-N 2.9Å; V382-F385 WeakPolarHBondContact O-CB 3.5Å; V382-F385 PolarHBondContact O-N 2.94Å; V382-F385 VanDerWaalsContact O-N 3.13Å; F385-V387 VanDerWaalsContact C-N 3.28Å; F385-V387 PolarHBondContact O-N 3.4Å; F385-N388 PolarHBondContact O-N 3.16Å; F385-Y389 HydrophobicContact CD2-CD1 4.25Å; F385-Y389 AromaticContact CD2-CD2 3.3Å; F385-Y389 HydrophobicContact CD2-CD2 3.3Å; F385-Y389 HydrophobicContact CD2-CE1 4.49Å; F385-Y389 AromaticContact CD2-CE2 3.64Å; F385-Y389 HydrophobicContact CD2-CE2 3.64Å; F385-Y389 AromaticContact CD2-CG 3.65Å; F385-Y389 HydrophobicContact CD2-CG 3.65Å; F385-Y389 AromaticContact CE2-CD1 3.67Å; F385-Y389 HydrophobicContact CE2-CD1 3.67Å; F385-Y389 AromaticContact CE2-CD2 3.6Å; F385-Y389 HydrophobicContact CE2-CD2 3.6Å; F385-Y389 HydrophobicContact CE2-CE1 4.04Å; F385-Y389 HydrophobicContact CE2-CE2 4.02Å; F385-Y389 AromaticContact CE2-CG 3.41Å; F385-Y389 HydrophobicContact CE2-CG 3.41Å; F385-Y389 VanDerWaalsContact CE2-CG 3.41Å; F385-Y389 HydrophobicContact CG-CD2 4.1Å; F385-Y389 HydrophobicContact CG-CG 4.5Å; F385-Y389 HydrophobicContact CZ-CD1 4.43Å; F385-Y389 HydrophobicContact CZ-CG 4.15Å; F385-Y389 WeakPolarHBondContact O-CB 3.02Å; F385-Y389 WeakPolarHBondContact O-CD2 3.31Å; F385-Y389 PolarHBondContact O-N 2.94Å; F385-F393 HydrophobicContact CE2-CD2 4.16Å; F385-F393 AromaticContact CE2-CE2 3.84Å; F385-F393 HydrophobicContact CE2-CE2 3.84Å; F385-F393 AromaticContact CZ-CD2 3.62Å; F385-F393 HydrophobicContact CZ-CD2 3.62Å; F385-F393 AromaticContact CZ-CE2 3.68Å; F385-F393 HydrophobicContact CZ-CE2 3.68Å; F385-L395 HydrophobicContact CE1-CD1 4.18Å
386F96.5Very high96.2Very high23 Ų2366.3 Ų66.310%0.10132%0.318CS..Hα-helixtrans-54.1-43.1179.6-170.5-91.2000112.4V360 F367 V382 K383 R390 L395 L399V360-F386 HydrophobicContact CG1-CD2 4.49Å; V360-F386 HydrophobicContact CG1-CE2 3.96Å; V360-F386 HydrophobicContact CG2-CD2 3.9Å; V360-F386 HydrophobicContact CG2-CE2 4.2Å; F367-F386 HydrophobicContact CE1-CB 4.01Å; F367-F386 HydrophobicContact CE1-CD2 4.2Å; F367-F386 HydrophobicContact CE1-CG 4.05Å; F367-F386 HydrophobicContact CZ-CG 4.44Å; V382-F386 PolarHBondContact O-N 3.37Å; K383-F386 PolarHBondContact O-N 3.23Å; F386-R390 WeakPolarHBondContact O-CA 3.37Å; F386-R390 WeakPolarHBondContact O-CB 3.28Å; F386-R390 PolarHBondContact O-N 2.82Å; F386-L395 HydrophobicContact CD2-CB 4.29Å; F386-L395 HydrophobicContact CD2-CD1 4.06Å; F386-L395 HydrophobicContact CE2-CB 3.96Å; F386-L395 HydrophobicContact CG-CD1 4.45Å; F386-L395 HydrophobicContact CZ-CB 4.44Å; F386-L399 HydrophobicContact CZ-CD2 4.19Å
387V96.4Very high96.2Very high103 Ų10370.6 Ų70.662%0.62434%0.337SS*.Hα-helixtrans-70.6-52.6175.6179.50000111.9K383 F385 Y389 R390K383-V387 PolarHBondContact O-N 3.1Å; F385-V387 VanDerWaalsContact C-N 3.28Å; F385-V387 PolarHBondContact O-N 3.4Å; V387-Y389 VanDerWaalsContact C-N 3.26Å; V387-Y389 PolarHBondContact O-N 2.93Å; V387-R390 PolarHBondContact O-N 2.96Å
388N95.8Very high96.1Very high100 Ų10071.4 Ų71.454%0.53534%0.342SS..Hα-helixtrans-73-13.6-172.2-71.8-61.1000114.6N384 F385 R392N384-N388 VanDerWaalsContact O-CB 3.29Å; N384-N388 WeakPolarHBondContact O-CB 3.37Å; N384-N388 PolarHBondContact O-N 3.4Å; N384-N388 PolarHBondContact O-ND2 3.38Å; F385-N388 PolarHBondContact O-N 3.16Å; N388-R392 PolarHBondContact O-NH2 3.25Å
389Y94.4Very high95.9Very high39 Ų3968.7 Ų68.715%0.15333%0.325CS..Hα-helixtrans-119.21-179.9-68.3-105.5000113.4F385 V387 R391 R392 F393F385-Y389 HydrophobicContact CD2-CD1 4.25Å; F385-Y389 AromaticContact CD2-CD2 3.3Å; F385-Y389 HydrophobicContact CD2-CD2 3.3Å; F385-Y389 HydrophobicContact CD2-CE1 4.49Å; F385-Y389 AromaticContact CD2-CE2 3.64Å; F385-Y389 HydrophobicContact CD2-CE2 3.64Å; F385-Y389 AromaticContact CD2-CG 3.65Å; F385-Y389 HydrophobicContact CD2-CG 3.65Å; F385-Y389 AromaticContact CE2-CD1 3.67Å; F385-Y389 HydrophobicContact CE2-CD1 3.67Å; F385-Y389 AromaticContact CE2-CD2 3.6Å; F385-Y389 HydrophobicContact CE2-CD2 3.6Å; F385-Y389 HydrophobicContact CE2-CE1 4.04Å; F385-Y389 HydrophobicContact CE2-CE2 4.02Å; F385-Y389 AromaticContact CE2-CG 3.41Å; F385-Y389 HydrophobicContact CE2-CG 3.41Å; F385-Y389 VanDerWaalsContact CE2-CG 3.41Å; F385-Y389 HydrophobicContact CG-CD2 4.1Å; F385-Y389 HydrophobicContact CG-CG 4.5Å; F385-Y389 HydrophobicContact CZ-CD1 4.43Å; F385-Y389 HydrophobicContact CZ-CG 4.15Å; F385-Y389 WeakPolarHBondContact O-CB 3.02Å; F385-Y389 WeakPolarHBondContact O-CD2 3.31Å; F385-Y389 PolarHBondContact O-N 2.94Å; V387-Y389 VanDerWaalsContact C-N 3.26Å; V387-Y389 PolarHBondContact O-N 2.93Å; Y389-R391 VanDerWaalsContact C-N 3.3Å; Y389-R391 PolarHBondContact O-N 3.29Å; Y389-R391 VanDerWaalsContact O-N 3.09Å; Y389-R392 VanDerWaalsContact CD1-NH2 3.33Å; Y389-R392 VanDerWaalsContact CE1-NH2 3.25Å; Y389-R392 VanDerWaalsContact CZ-NH2 3.31Å; Y389-R392 PolarHBondContact O-N 2.86Å; Y389-F393 AromaticContact CD1-CD2 3.87Å; Y389-F393 HydrophobicContact CD1-CD2 3.87Å; Y389-F393 AromaticContact CD1-CE2 3.38Å; Y389-F393 HydrophobicContact CD1-CE2 3.38Å; Y389-F393 HydrophobicContact CD1-CZ 4.22Å; Y389-F393 HydrophobicContact CE1-CE2 4.04Å; Y389-F393 HydrophobicContact CG-CD2 4.29Å; Y389-F393 HydrophobicContact CG-CE2 4.17Å; Y389-F393 PolarHBondContact O-N 3.19Å; Y389-F393 VanDerWaalsContact O-N 3.15Å
390R93.8Very high95.7Very high101 Ų10173.2 Ų73.238%0.38134%0.344SS..THydrogen-bonded Turntrans-40.2-51-179.9-175.4174.2172.280.5-5.1114.7F386 V387 N394 L395 E396F386-R390 WeakPolarHBondContact O-CA 3.37Å; F386-R390 WeakPolarHBondContact O-CB 3.28Å; F386-R390 PolarHBondContact O-N 2.82Å; V387-R390 PolarHBondContact O-N 2.96Å; R390-N394 PolarHBondContact O-N 3.02Å; R390-L395 PolarHBondContact O-N 3.06Å; R390-E396 IonicContact CZ-OE1 3.47Å; R390-E396 IonicContact CZ-OE2 3.48Å; R390-E396 IonicContact NH1-OE1 2.87Å; R390-E396 PolarHBondContact NH1-OE1 2.98Å; R390-E396 IonicContact NH1-OE2 2.72Å; R390-E396 PolarHBondContact NH1-OE2 3.27Å; R390-E396 IonicContact NH2-OE1 2.67Å; R390-E396 PolarHBondContact NH2-OE1 3.23Å; R390-E396 IonicContact NH2-OE2 3.47Å; R390-E396 PolarHBondContact NH2-OE2 2.99Å
391R95.6Very high95.5Very high237 Ų23775.9 Ų75.989%0.89435%0.347SS*.THydrogen-bonded Turntrans-85.5-12.2-179.9-58.8-172.9-166.8148.11.5115.1Y389Y389-R391 VanDerWaalsContact C-N 3.3Å; Y389-R391 PolarHBondContact O-N 3.29Å; Y389-R391 VanDerWaalsContact O-N 3.09Å
392R94.3Very high95.3Very high150 Ų15076.8 Ų76.857%0.56635%0.349SS*.THydrogen-bonded Turntrans-93.8-24.3-175.8-77.6-172.1-74.2158.6-3113.3N388 Y389N388-R392 PolarHBondContact O-NH2 3.25Å; Y389-R392 VanDerWaalsContact CD1-NH2 3.33Å; Y389-R392 VanDerWaalsContact CE1-NH2 3.25Å; Y389-R392 VanDerWaalsContact CZ-NH2 3.31Å; Y389-R392 PolarHBondContact O-N 2.86Å
393F94.9Very high95.1Very high64 Ų6481 Ų8128%0.28137%0.368SS..THydrogen-bonded Turntrans-12726.1175.9-58.9-51.6000112.1Q353 V357 F385 Y389 L395Q353-F393 HydrophobicContact CB-CE2 4.05Å; Q353-F393 HydrophobicContact CB-CZ 4.17Å; V357-F393 HydrophobicContact CG2-CB 3.65Å; V357-F393 HydrophobicContact CG2-CD1 4.34Å; V357-F393 HydrophobicContact CG2-CD2 3.65Å; V357-F393 HydrophobicContact CG2-CE2 4.34Å; V357-F393 HydrophobicContact CG2-CG 3.65Å; F385-F393 HydrophobicContact CE2-CD2 4.16Å; F385-F393 AromaticContact CE2-CE2 3.84Å; F385-F393 HydrophobicContact CE2-CE2 3.84Å; F385-F393 AromaticContact CZ-CD2 3.62Å; F385-F393 HydrophobicContact CZ-CD2 3.62Å; F385-F393 AromaticContact CZ-CE2 3.68Å; F385-F393 HydrophobicContact CZ-CE2 3.68Å; Y389-F393 AromaticContact CD1-CD2 3.87Å; Y389-F393 HydrophobicContact CD1-CD2 3.87Å; Y389-F393 AromaticContact CD1-CE2 3.38Å; Y389-F393 HydrophobicContact CD1-CE2 3.38Å; Y389-F393 HydrophobicContact CD1-CZ 4.22Å; Y389-F393 HydrophobicContact CE1-CE2 4.04Å; Y389-F393 HydrophobicContact CG-CD2 4.29Å; Y389-F393 HydrophobicContact CG-CE2 4.17Å; Y389-F393 PolarHBondContact O-N 3.19Å; Y389-F393 VanDerWaalsContact O-N 3.15Å; F393-L395 HydrophobicContact CB-CD2 3.84Å; F393-L395 HydrophobicContact CB-CG 4.16Å; F393-L395 PolarHBondContact O-N 2.83Å
394N95.1Very high94.9Very high86 Ų8678.8 Ų78.846%0.4637%0.37SS..THydrogen-bonded Turntrans4243.5-179.9-67.129.8000114.4R390 E396 E397 V398R390-N394 PolarHBondContact O-N 3.02Å; N394-E396 PolarHBondContact O-N 2.81Å; N394-E397 HydrophobicContact CB-CB 4.13Å; N394-E397 WeakPolarHBondContact CB-OE2 3.38Å; N394-E397 PolarHBondContact ND2-OE2 3.49Å; N394-E397 WeakPolarHBondContact O-CB 3.31Å; N394-E397 PolarHBondContact O-N 3.23Å; N394-V398 WeakPolarHBondContact O-CG2 3.33Å; N394-V398 PolarHBondContact O-N 3.44Å; N394-V398 VanDerWaalsContact O-N 3.15Å
395L95.1Very high94.5Very high0 Ų079 Ų790%037%0.368CS..THydrogen-bonded Turntrans-64.6-11.4-165.7-62.4179.6000115V357 F385 F386 R390 F393 L399V357-L395 HydrophobicContact CG2-CD2 4.02Å; F385-L395 HydrophobicContact CE1-CD1 4.18Å; F386-L395 HydrophobicContact CD2-CB 4.29Å; F386-L395 HydrophobicContact CD2-CD1 4.06Å; F386-L395 HydrophobicContact CE2-CB 3.96Å; F386-L395 HydrophobicContact CG-CD1 4.45Å; F386-L395 HydrophobicContact CZ-CB 4.44Å; R390-L395 PolarHBondContact O-N 3.06Å; F393-L395 HydrophobicContact CB-CD2 3.84Å; F393-L395 HydrophobicContact CB-CG 4.16Å; F393-L395 PolarHBondContact O-N 2.83Å; L395-L399 WeakPolarHBondContact O-CB 3.28Å; L395-L399 PolarHBondContact O-N 3.42Å
396E94.1Very high93.8Very high85 Ų8582.5 Ų82.540%0.39738%0.384SS..THydrogen-bonded Turntrans-81.3-38.1170.5-163.481.8130.300112.4R390 N394 L399 Q400R390-E396 IonicContact CZ-OE1 3.47Å; R390-E396 IonicContact CZ-OE2 3.48Å; R390-E396 IonicContact NH1-OE1 2.87Å; R390-E396 PolarHBondContact NH1-OE1 2.98Å; R390-E396 IonicContact NH1-OE2 2.72Å; R390-E396 PolarHBondContact NH1-OE2 3.27Å; R390-E396 IonicContact NH2-OE1 2.67Å; R390-E396 PolarHBondContact NH2-OE1 3.23Å; R390-E396 IonicContact NH2-OE2 3.47Å; R390-E396 PolarHBondContact NH2-OE2 2.99Å; N394-E396 PolarHBondContact O-N 2.81Å; E396-L399 PolarHBondContact O-N 3Å; E396-Q400 WeakPolarHBondContact O-CB 3.41Å; E396-Q400 PolarHBondContact O-N 3.12Å
397E95.3Very high92.3Very high108 Ų10884.1 Ų84.151%0.50541%0.407SS..Hα-helixtrans-68.3-46.4177.3-170.5172.7-161.700109.7N394 L399 Q400 E401N394-E397 HydrophobicContact CB-CB 4.13Å; N394-E397 WeakPolarHBondContact CB-OE2 3.38Å; N394-E397 PolarHBondContact ND2-OE2 3.49Å; N394-E397 WeakPolarHBondContact O-CB 3.31Å; N394-E397 PolarHBondContact O-N 3.23Å; E397-L399 PolarHBondContact O-N 3.38Å; E397-Q400 PolarHBondContact O-N 3.14Å; E397-Q400 VanDerWaalsContact O-N 3.1Å; E397-E401 PolarHBondContact O-N 3.41Å
398V95.2Very high90.5Very high22 Ų2284 Ų8413%0.13341%0.407CS..Hα-helixtrans-57.1-33.3172.6178.90000112.5V360 R361 N394V360-V398 HydrophobicContact CB-CG1 4.39Å; V360-V398 HydrophobicContact CG1-CG1 4.06Å; R361-V398 HydrophobicContact CB-CG1 3.59Å; R361-V398 VanDerWaalsContact CD-O 3.3Å; R361-V398 WeakPolarHBondContact CD-O 3.47Å; R361-V398 HydrophobicContact CG-CG1 4.21Å; N394-V398 WeakPolarHBondContact O-CG2 3.33Å; N394-V398 PolarHBondContact O-N 3.44Å; N394-V398 VanDerWaalsContact O-N 3.15Å
399L93.9Very high88.5Confident2 Ų286 Ų861%0.0141%0.413CS..Hα-helixtrans-80.5-39.2176.4171.571.7000111.7V360 K365 F386 L395 E396 E397 E401 W402 E403V360-L399 HydrophobicContact CG1-CB 4.36Å; K365-L399 HydrophobicContact CD-CD1 4.4Å; K365-L399 HydrophobicContact CD-CD2 4.42Å; K365-L399 HydrophobicContact CG-CD1 4.03Å; K365-L399 HydrophobicContact CG-CD2 4.48Å; F386-L399 HydrophobicContact CZ-CD2 4.19Å; L395-L399 WeakPolarHBondContact O-CB 3.28Å; L395-L399 PolarHBondContact O-N 3.42Å; E396-L399 PolarHBondContact O-N 3Å; E397-L399 PolarHBondContact O-N 3.38Å; L399-E401 VanDerWaalsContact C-N 3.29Å; L399-E401 PolarHBondContact O-N 2.86Å; L399-W402 HydrophobicContact CD1-CE3 4.21Å; L399-W402 WeakPolarHBondContact O-CB 3.39Å; L399-W402 PolarHBondContact O-N 2.93Å; L399-W402 VanDerWaalsContact O-N 3.08Å; L399-E403 HydrophobicContact CD1-CG 4.35Å; L399-E403 HydrophobicContact CG-CG 4.41Å; L399-E403 WeakPolarHBondContact O-CG 3.38Å; L399-E403 PolarHBondContact O-N 2.9Å
400Q94.4Very high86.4Confident131 Ų13188.2 Ų88.261%0.61244%0.44SS*.Hα-helixtrans-62.8-36.6176.6-173.2176.18.800111.5E396 E397 E403 A404E396-Q400 WeakPolarHBondContact O-CB 3.41Å; E396-Q400 PolarHBondContact O-N 3.12Å; E397-Q400 PolarHBondContact O-N 3.14Å; E397-Q400 VanDerWaalsContact O-N 3.1Å; Q400-E403 PolarHBondContact O-N 3.22Å; Q400-A404 WeakPolarHBondContact O-CB 3.39Å; Q400-A404 PolarHBondContact O-N 3.28Å
401E93.1Very high84.1Confident93 Ų9388 Ų8844%0.43545%0.454SS..Hα-helixtrans-59.3-44.2169.4-73.2-176.4-143.800112.3R361 E397 L399 A404 E405R361-E401 IonicContact CZ-OE2 2.73Å; R361-E401 VanDerWaalsContact CZ-OE2 3.25Å; R361-E401 IonicContact NE-OE2 3.25Å; R361-E401 PolarHBondContact NE-OE2 3.49Å; R361-E401 IonicContact NH2-OE2 2.67Å; R361-E401 PolarHBondContact NH2-OE2 2.58Å; E397-E401 PolarHBondContact O-N 3.41Å; L399-E401 VanDerWaalsContact C-N 3.29Å; L399-E401 PolarHBondContact O-N 2.86Å; E401-A404 PolarHBondContact O-N 2.79Å; E401-E405 PolarHBondContact O-N 2.95Å
402W94.1Very high81.6Confident57 Ų5784 Ų8422%0.21645%0.451CS..Hα-helixtrans-65.5-43.1176.5179.188.1000111.9K362 L399 A404 E405 Q406K362-W402 VanDerWaalsContact C-CD1 3.44Å; K362-W402 VanDerWaalsContact C-NE1 3.29Å; K362-W402 PolarHBondContact O-NE1 3.13Å; L399-W402 HydrophobicContact CD1-CE3 4.21Å; L399-W402 WeakPolarHBondContact O-CB 3.39Å; L399-W402 PolarHBondContact O-N 2.93Å; L399-W402 VanDerWaalsContact O-N 3.08Å; W402-A404 VanDerWaalsContact C-N 3.28Å; W402-A404 PolarHBondContact O-N 3.19Å; W402-E405 PolarHBondContact O-N 3.17Å; W402-Q406 HydrophobicContact CD2-CG 3.88Å; W402-Q406 HydrophobicContact CE3-CG 4.25Å; W402-Q406 HydrophobicContact CG-CG 4.38Å; W402-Q406 HydrophobicContact CH2-CG 4.18Å; W402-Q406 HydrophobicContact CZ2-CG 3.81Å; W402-Q406 HydrophobicContact CZ3-CG 4.38Å; W402-Q406 WeakPolarHBondContact O-CB 3.39Å; W402-Q406 VanDerWaalsContact O-CG 3.24Å; W402-Q406 WeakPolarHBondContact O-CG 3.3Å; W402-Q406 PolarHBondContact O-N 3.26Å
403E93.4Very high78.9Confident90 Ų9079.7 Ų79.742%0.42145%0.452SS..Hα-helixtrans-62.6-35.2177.4-68179.3178.200111.2K365 L399 Q400 G407K365-E403 IonicContact NZ-OE1 2.74Å; K365-E403 PolarHBondContact NZ-OE1 2.77Å; L399-E403 HydrophobicContact CD1-CG 4.35Å; L399-E403 HydrophobicContact CG-CG 4.41Å; L399-E403 WeakPolarHBondContact O-CG 3.38Å; L399-E403 PolarHBondContact O-N 2.9Å; Q400-E403 PolarHBondContact O-N 3.22Å; E403-G407 PolarHBondContact O-N 2.93Å; E403-G407 VanDerWaalsContact O-N 3.12Å
404A92.3Very high75.9Confident61 Ų6184 Ų8450%0.50448%0.478SS..Hα-helixtrans-70.9-40.6174.500000113.9Q400 E401 W402 T408Q400-A404 WeakPolarHBondContact O-CB 3.39Å; Q400-A404 PolarHBondContact O-N 3.28Å; E401-A404 PolarHBondContact O-N 2.79Å; W402-A404 VanDerWaalsContact C-N 3.28Å; W402-A404 PolarHBondContact O-N 3.19Å; A404-T408 PolarHBondContact O-N 3.14Å; A404-T408 PolarHBondContact O-OG1 3.08Å
405E89.3Confident73.2Confident103 Ų10384.4 Ų84.448%0.48149%0.493SS..Hα-helixtrans-66.5-44.1175.9-77.1178178.800111.9R361 E401 W402 G407 T408 Q409R361-E405 IonicContact CZ-OE1 2.68Å; R361-E405 IonicContact CZ-OE2 3.41Å; R361-E405 VanDerWaalsContact NH1-CD 3.3Å; R361-E405 IonicContact NH1-OE1 3.48Å; R361-E405 PolarHBondContact NH1-OE1 3.04Å; R361-E405 IonicContact NH1-OE2 3.59Å; R361-E405 PolarHBondContact NH1-OE2 3.28Å; R361-E405 IonicContact NH2-OE1 3.72Å; R361-E405 PolarHBondContact NH2-OE1 2.97Å; R361-E405 IonicContact NH2-OE2 2.73Å; E401-E405 PolarHBondContact O-N 2.95Å; W402-E405 PolarHBondContact O-N 3.17Å; E405-G407 PolarHBondContact O-N 2.75Å; E405-T408 WeakPolarHBondContact O-CB 3.28Å; E405-T408 PolarHBondContact O-N 2.8Å; E405-T408 VanDerWaalsContact O-N 3.09Å; E405-Q409 PolarHBondContact O-N 3.23Å
406Q83.4Confident70.3Confident77 Ų7789.1 Ų89.136%0.3653%0.526SS..Hα-helixtrans-65-40178.5-65.3-70.312.200112.2W402 T408 Q409 A410W402-Q406 HydrophobicContact CD2-CG 3.88Å; W402-Q406 HydrophobicContact CE3-CG 4.25Å; W402-Q406 HydrophobicContact CG-CG 4.38Å; W402-Q406 HydrophobicContact CH2-CG 4.18Å; W402-Q406 HydrophobicContact CZ2-CG 3.81Å; W402-Q406 HydrophobicContact CZ3-CG 4.38Å; W402-Q406 WeakPolarHBondContact O-CB 3.39Å; W402-Q406 VanDerWaalsContact O-CG 3.24Å; W402-Q406 WeakPolarHBondContact O-CG 3.3Å; W402-Q406 PolarHBondContact O-N 3.26Å; Q406-T408 PolarHBondContact O-N 2.84Å; Q406-Q409 PolarHBondContact O-N 3.15Å; Q406-A410 PolarHBondContact O-N 2.97Å
407G64.1Low67.5Low57 Ų5791.4 Ų91.459%0.58855%0.546SS*.Hα-helixtrans-61-28172.800000113.4E403 E405E403-G407 PolarHBondContact O-N 2.93Å; E403-G407 VanDerWaalsContact O-N 3.12Å; E405-G407 PolarHBondContact O-N 2.75Å
408T60Low64.8Low101 Ų10193.3 Ų93.362%0.6256%0.559SS**Hα-helixtrans-81.7-40.5176.4-54.10000111.8A404 E405 Q406 A410 S411A404-T408 PolarHBondContact O-N 3.14Å; A404-T408 PolarHBondContact O-OG1 3.08Å; E405-T408 WeakPolarHBondContact O-CB 3.28Å; E405-T408 PolarHBondContact O-N 2.8Å; E405-T408 VanDerWaalsContact O-N 3.09Å; Q406-T408 PolarHBondContact O-N 2.84Å; T408-A410 PolarHBondContact O-N 3.08Å; T408-S411 PolarHBondContact O-N 2.87Å; T408-S411 VanDerWaalsContact O-N 3.17Å
409Q53.8Low61.7Low141 Ų14195 Ų9566%0.65958%0.581SS**Hα-helixtrans-64.7-28.7-177.2-164.9170.146.300112.9E405 Q406 S411 N412E405-Q409 PolarHBondContact O-N 3.23Å; Q406-Q409 PolarHBondContact O-N 3.15Å; Q409-S411 PolarHBondContact O-N 3.26Å; Q409-S411 VanDerWaalsContact O-N 3.15Å; Q409-N412 PolarHBondContact O-N 3.49Å
410A50.3Low58.9Low86 Ų86103 Ų10371%0.71162%0.618SS**G310 helixtrans-61-18.2175.400000114.7Q406 T408Q406-A410 PolarHBondContact O-N 2.97Å; T408-A410 PolarHBondContact O-N 3.08Å
411S45.7Very low56Low98 Ų98102.7 Ų102.769%0.68562%0.617SS**G310 helixtrans-88.3-10-178.2-168.80000114.8T408 Q409T408-S411 PolarHBondContact O-N 2.87Å; T408-S411 VanDerWaalsContact O-N 3.17Å; Q409-S411 PolarHBondContact O-N 3.26Å; Q409-S411 VanDerWaalsContact O-N 3.15Å
412N43.1Very low53Low153 Ų153104 Ų10482%0.81863%0.631SS**G310 helixtrans-116.528.3-176.5-80.9-7000112.8Q409Q409-N412 PolarHBondContact O-N 3.49Å
413G37.6Very low50.2Low58 Ų58108.3 Ų108.360%0.59865%0.652SS**SBendtrans-86.9119.2165.500000110.5A415G413-A415 PolarHBondContact O-N 3.23Å
414D31.8Very low47Very low156 Ų156110.1 Ų110.183%0.83467%0.674SS**  trans-52.7127.3-174-169.3-1.2000113.2
415A38.6Very low44Very low93 Ų93111.8 Ų111.877%0.76969%0.688SS**  trans-122.762.1-174.600000111.3G413G413-A415 PolarHBondContact O-N 3.23Å
416S33.4Very low41.1Very low99 Ų99112.4 Ų112.469%0.69270%0.704SS**  trans-149.7132.2161.7-79.80000108.8
417T34.8Very low38.3Very low133 Ų133116.4 Ų116.482%0.81673%0.728SS**  cis-130.5156.534.253.50000115.7
418L38Very low36.8Very low149 Ų149119.6 Ų119.678%0.7874%0.735SS**  trans-59.5168.4164.1-97.262.8000113.2
419G30.6Very low35.4Very low58 Ų58121 Ų12160%0.59875%0.746SS**  cis-148.8164.46.100000112.5
420E35Very low34.1Very low169 Ų169119.9 Ų119.979%0.7975%0.754SS**  65.9131.391.5-67.8-172.6101.200114.1
421E33.8Very low33.1Very low125 Ų125119.2 Ų119.258%0.58476%0.755SS**  cis-142.6160.8-10.2-107.8-127104.800105.5K423E421-K423 IonicContact OE1-NZ 2.93Å; E421-K423 PolarHBondContact OE1-NZ 3.39Å; E421-K423 IonicContact OE2-NZ 2.73Å; E421-K423 PolarHBondContact OE2-NZ 3.17Å
422T30.4Very low32.3Very low120 Ų120123.9 Ų123.974%0.73676%0.764SS**  -176.8141.180.4-59.50000111.5
423K35Very low31.5Very low147 Ų147121.6 Ų121.664%0.63976%0.76SS**  trans-29.3139.4168.6-59125.5-174.5138.40117.5E421E421-K423 IonicContact OE1-NZ 2.93Å; E421-K423 PolarHBondContact OE1-NZ 3.39Å; E421-K423 IonicContact OE2-NZ 2.73Å; E421-K423 PolarHBondContact OE2-NZ 3.17Å
424S25.5Very low31.2Very low128 Ų128124.7 Ų124.790%0.89577%0.767SS**  -161.4147.1112.2-82.10000111.1
425A31Very low31.1Very low97 Ų97124.2 Ų124.280%0.80277%0.765SS**  trans-117.5142.7-172.800000112.4
426S26.6Very low31.2Very low116 Ų116128 Ų12881%0.81177%0.766SS**  trans178.9123.2134.743.10000111.7
427N26Very low31.4Very low161 Ų161131.3 Ų131.386%0.86177%0.771SS**  -159.8144.6121-129.9-14.1000111
428V31.4Very low31.4Very low123 Ų123133.3 Ų133.375%0.74577%0.771SS**  trans-115.5136.2-179.1174.70000109.3
429P32.2Very low31Very low131 Ų131133.1 Ų133.185%0.85177%0.766SS**  trans-118.8119.7147.933.2-22.1000109.7
430S26.4Very low31Very low117 Ų117133.8 Ų133.882%0.81877%0.766SS**  trans-116.3126169.6-1700000109.1
431G28.8Very low30.9Very low72 Ų72134.2 Ų134.274%0.74277%0.768SS**  trans-93.7137.5-174.800000112.6
432K28.5Very low30.5Very low197 Ų197134.6 Ų134.686%0.85778%0.779SS**  trans-22.5126.4164.4-175.7175.2-179.2178.90115.6
433S25.8Very low31Very low105 Ų105134 Ų13473%0.73478%0.778SS**  trans-83.5153.2171.1-175.50000112.8
434T32.7Very low30.8Very low123 Ų123135.7 Ų135.776%0.75579%0.788SS**  trans-15296.4159.948.80000110.5
435D29Very low31.1Very low146 Ų146134.1 Ų134.178%0.78178%0.782SS**  trans48161.6130.3-103.3-154.9000125.3
436E40.7Very low32Very low173 Ų173134.5 Ų134.581%0.80878%0.777SS**  trans66.7141.9169.2-64.4174.3179.500118.2
437E36.6Very low32.2Very low167 Ų167139.5 Ų139.578%0.7878%0.777SS**  cis-168.7151.4-36.3-129.2178-169.600109.5
438E35.4Very low32.2Very low175 Ų175137.2 Ų137.282%0.81877%0.769SS**  trans43.9160.8160.5-104.3166.680.100122.2
439E30.2Very low32.2Very low145 Ų145139.7 Ų139.768%0.67878%0.778SS**  cis-149.1158.29.6-161.9-148128.500110.9
440A30.4Very low32Very low73 Ų73136.7 Ų136.760%0.60377%0.771SS**  trans57.7151.6153.400000121.1
441Q31.6Very low32.9Very low178 Ų178137.5 Ų137.583%0.83277%0.773SS**  cis-155.6166.1-9.9-111.8163.640.700108.4
442T26.6Very low33Very low132 Ų132139.2 Ų139.281%0.8177%0.774SS**  trans-119.4160.2173.466.20000110.9
443P41.5Very low34.1Very low109 Ų109135.4 Ų135.471%0.70877%0.769SS**  -150.8152.493.637.4-19.5000117.6
444Q29.5Very low35.4Very low182 Ų182135.8 Ų135.885%0.8577%0.769SS**  trans40.8118.7140.4-54.6178.51300120.1
445A32.5Very low35.4Very low94 Ų94136.1 Ų136.178%0.77777%0.771SS**  77.5163.956.400000114.9
446P49.2Very low36.2Very low106 Ų106134.4 Ų134.469%0.68877%0.768SS**  cis-134.2-158.2-48.336.6-18.1000112.1
447R30.7Very low35.7Very low220 Ų220131 Ų13183%0.8376%0.763SS**  trans106.8149.5162.3-62.3164.5-169-89.80.6117
448T27.5Very low35.4Very low113 Ų113127.8 Ų127.869%0.69376%0.759SS**  cis-178.5152.3-42.532.40000110.1
449L30.5Very low35.1Very low176 Ų176125.4 Ų125.492%0.92176%0.756SS**  trans70.9149.6172.9-53.6152.1000114.2
450G28.3Very low35.9Very low68 Ų68123.6 Ų123.670%0.70176%0.757SS**  cis110.81449.200000111.6
451P44.9Very low35.9Very low133 Ų133126 Ų12686%0.86477%0.765SS**  cis-133.1-165.81043.6-25.2000115.7
452S30.1Very low36.4Very low109 Ų109123 Ų12376%0.76276%0.761SS**  trans-83.6-163174.9-30.90000113.2
453P53Low36.6Very low117 Ų117123.6 Ų123.676%0.7676%0.764SS**  cis-130.8-141.9-1643-22.4000110.3
454P51.9Low36.2Very low112 Ų112122.3 Ų122.373%0.72776%0.763SS**  cis-130179.2-23.835.4-14.7000116.8
455V33.4Very low36.9Very low131 Ų131119.1 Ų119.179%0.79476%0.758SS**  trans-51.7165.8163-96.70000115.3
456P45.9Very low36.9Very low110 Ų110122.2 Ų122.271%0.71476%0.759SS**  cis-158.9168.949.944.6-21.7000123.9
457S30.2Very low36.1Very low101 Ų101122.1 Ų122.171%0.70677%0.768SS**  trans76.3135.5135.659.30000126.2
458S30.1Very low36.3Very low99 Ų99117.9 Ų117.969%0.69277%0.766SS**  trans74.8102.5140.649.10000124
459T29.7Very low36.7Very low126 Ų126120.3 Ų120.377%0.77377%0.774SS**  13.8158.3112.254.40000121.5
460P46.5Very low36.8Very low106 Ų106119 Ų11969%0.68877%0.769SS**  cis-142.8-178.7-24.540.2-20.7000116
461T30.4Very low37.4Very low125 Ų125124.3 Ų124.377%0.76778%0.775SS**  trans19.3138.5147.458.80000121.5
462P42.8Very low37.2Very low115 Ų115123.5 Ų123.575%0.74777%0.77SS**  -153.2149.280.139-19.7000120.2
463T29.4Very low38Very low144 Ų144124.2 Ų124.288%0.88377%0.771SS**  trans62.9139.3139.8-48.70000122.3
464A34.4Very low37.8Very low82 Ų82124.4 Ų124.468%0.67877%0.773SS**  trans-91-178178.600000113.5
465P43.9Very low37Very low115 Ų115127.2 Ų127.275%0.74778%0.781SS**  -148.8148.889.938.5-21.5000117.9
466I32.3Very low37.3Very low158 Ų158129.3 Ų129.381%0.8179%0.787SS**  trans28.5120.2137.1-48.2174.2000119.2
467A32.9Very low37.4Very low105 Ų105135.2 Ų135.287%0.86880%0.795SS**  trans-146140.8146.500000111.2
468T33.7Very low38Very low130 Ų130136.5 Ų136.580%0.79880%0.8SS**  trans-102.9139.7-179.551.50000112.2
469L35.9Very low38.1Very low164 Ų164138.4 Ų138.486%0.85981%0.808SS**  trans-166.2148.9136.9-157.655.5000113.2
470N33.7Very low38.6Very low150 Ų150140.5 Ų140.580%0.80281%0.814SS**  trans-86.2125.2169-75.4-32.2000111.8
471Q40.1Very low38.8Very low179 Ų179141.4 Ų141.484%0.83682%0.82SS**  trans-174149.2143.3-109.6162.489.100112.4
472P41.6Very low39.1Very low116 Ų116140.5 Ų140.575%0.75383%0.825SS**PPolyproline II helixtrans-91140.2179.634.6-32.9000113.5
473P46Very low38.8Very low123 Ų123139.5 Ų139.580%0.79983%0.826SS**PPolyproline II helixtrans-70.8162.3167.5-19.633.9000113.7
474P48.1Very low39.5Very low121 Ų121138.8 Ų138.879%0.78682%0.824SS**PPolyproline II helixtrans-96.3168.2-159.637.5-38000116.6
475L35.5Very low39.7Very low172 Ų172139.5 Ų139.590%0.90183%0.83SS**PPolyproline II helixtrans-61.1138.2171.7-67.1162.5000113.1
476L40.2Very low39.2Very low174 Ų174142.8 Ų142.891%0.91184%0.84SS**  trans-132.5141.2158.8-72.6176.5000110.1
477R49Very low39.6Very low235 Ų235143.8 Ų143.889%0.88784%0.841SS**  trans-129.9119.4-170.9-172.9-169.9-1621797.9110.2
478P42.4Very low39.7Very low127 Ų127150.6 Ų150.683%0.82584%0.844SS**PPolyproline II helixtrans-68.3153.4173.3-21.734.7000113.4
479T32.4Very low39.8Very low140 Ų140152.4 Ų152.486%0.85984%0.844SS**PPolyproline II helixtrans-101.4157.9-17519.50000113.9
480L39.8Very low40.3Very low170 Ų170150.6 Ų150.689%0.8984%0.842SS**PPolyproline II helixtrans-84.1143.3171.7-68.2167.5000112
481P49.6Very low40.7Very low125 Ų125148.9 Ų148.981%0.81284%0.839SS**PPolyproline II helixtrans-86.1155.4152.3-5.224.7000111.3
482A36.5Very low41.2Very low106 Ų106146.2 Ų146.288%0.87684%0.837SS**PPolyproline II helixtrans-102163.7-179.600000113.4
483A38.1Very low41.4Very low93 Ų93148.2 Ų148.277%0.76984%0.841SS**PPolyproline II helixtrans-89.1172.3-177.900000113.6
484P43.9Very low41Very low129 Ų129151.6 Ų151.684%0.83885%0.846SS**PPolyproline II helixtrans-100.8150.6143.135.4-29.4000111.2
485A38.8Very low40.7Very low97 Ų97153.4 Ų153.480%0.80284%0.844SS**  trans-113.5152.8-177.300000112.5
486L33.4Very low40.8Very low185 Ų185154 Ų15497%0.96984%0.842SS**  trans-137.4157159.9-84.8-176.7000111.6
487H39.3Very low40.5Very low178 Ų178149.8 Ų149.882%0.82483%0.832SS**  trans-126.8125.5-159.6-178.560.8000110.1
488R35.4Very low39.7Very low248 Ų248148.9 Ų148.994%0.93683%0.829SS**  trans-157.4155.4169.3-115.1168.5-167.3-94.2-2.1112.9
489Q36.3Very low39.3Very low169 Ų169152.7 Ų152.779%0.7983%0.833SS**  trans-95.6161.3-173-70.7-169-13.100113.6
490P46.8Very low39.3Very low125 Ų125151.9 Ų151.981%0.81282%0.822SS**  trans-88.5136.2173.634.7-33.6000113.5
491P42.6Very low39.2Very low114 Ų114151.6 Ų151.674%0.7482%0.816SS**  trans-129.9172.8161.342.4-30.4000112.1
492P50.3Low39Very low123 Ų123151.2 Ų151.280%0.79981%0.814SS**  -130.4179.5-61.938-22.5000112.2
493L46Very low38.9Very low159 Ų159154.5 Ų154.583%0.83280%0.803SS**  trans-73146.5165.3-97.978.8000111.6
494Q37.2Very low39.1Very low193 Ų193156 Ų15690%0.90281%0.806SS**  trans-149.5164.7149.5-124173.411.400112.7
495Q41.4Very low38.6Very low160 Ų160154.7 Ų154.775%0.74880%0.795SS**  trans-131.9148.4-165.9-53.3169.3500111.4
496Q36.8Very low38.5Very low183 Ų183157.8 Ų157.886%0.85580%0.797SS**  trans179.4129143.2-97.1148.486.300108
497A34Very low38.7Very low87 Ų87155.3 Ų155.372%0.71979%0.785SS**  66.5134.874.200000112.8
498R33.2Very low38.8Very low216 Ų216155.5 Ų155.582%0.81579%0.786SS**  cis-167154.11.4-123.9-175.3-169.2-179.64.6107.8
499F32.7Very low39.7Very low207 Ų207149.2 Ų149.291%0.90878%0.778SS**  trans-165.7171.7138.2-113.2-72.9000112.8
500I33.5Very low40.3Very low123 Ų123146.8 Ų146.863%0.63178%0.776SS**  trans-158.9144.1-151-91.9166.9000105.9
501Q37.3Very low40.3Very low163 Ų163146.4 Ų146.476%0.76277%0.774SS**  cis-153.8-1534.6-129.3-156.8107.300107.1
502P44.6Very low40.8Very low117 Ų117146.4 Ų146.476%0.7677%0.774SS**  cis-127.4-174.7-7.134.1-11.9000115.4
503R35Very low40Very low175 Ų175148.3 Ų148.366%0.6678%0.777SS**  trans-113.9162.1176.2-167.5-171.9176.5-176.2-0.2110.2
504P42.8Very low39.7Very low126 Ų126148.1 Ų148.182%0.81878%0.775SS**  trans-124156.3132.136.2-32000113.6
505T34.1Very low39.8Very low100 Ų100149.6 Ų149.661%0.61377%0.772SS**  trans-102.8144.5-163.549.90000114
506L36.8Very low39.7Very low162 Ų162148.1 Ų148.185%0.84878%0.776SS**  trans-133.4136.4147.4-168.963.3000108.8
507N35.7Very low39.5Very low133 Ų133144 Ų14471%0.71177%0.773SS**  trans-107.6130.6-178.9-77.9-14.6000110.5
508Q41.8Very low39.5Very low183 Ų183147.9 Ų147.986%0.85578%0.782SS**  trans-140.8138.8146.4-72.4-162.57.400109.3
509P54.3Low39.5Very low116 Ų116143.3 Ų143.375%0.75378%0.783SS**PPolyproline II helixtrans-81.7153.7173.434-34.1000111.6
510P49.3Very low39.7Very low117 Ų117142.2 Ų142.276%0.7678%0.783SS**PPolyproline II helixtrans-72.6151.4174.331.1-35.1000112.2
511P47.3Very low40.9Very low118 Ų118141.5 Ų141.577%0.76679%0.787SS**PPolyproline II helixtrans-71.2152.4177.529.9-35.1000112.5
512P51.7Low41.7Very low113 Ų113139.7 Ų139.773%0.73479%0.789SS**PPolyproline II helixtrans-81.1147.2-169.231.6-36.2000114.6
513L34.4Very low41.5Very low164 Ų164145.1 Ų145.186%0.85979%0.794SS**PPolyproline II helixtrans-72.9130.7164.1-106.867.7000110.5
514I40.6Very low41.7Very low154 Ų154145.4 Ų145.479%0.7981%0.808SS**  trans-110.1126.3169.1-63.6177.2000109.4
515R39.1Very low41.5Very low225 Ų225146 Ų14685%0.84980%0.804SS**  trans-110.7133.2165.6-68.5177.7178.5152.5-3.1109.2
516P37.7Very low42.2Very low129 Ų129146.9 Ų146.984%0.83881%0.812SS**  trans-78.5149.2150.3-9.928.1000109.9
517A33.2Very low42.1Very low95 Ų95149.8 Ų149.879%0.78581%0.811SS**  trans-125.8159.7172.400000110.6
518N33.9Very low43.1Very low170 Ų170148.2 Ų148.291%0.90981%0.808SS**  trans-61.3150.4-168.2-55-13.1000114.8
519S33.7Very low42.7Very low119 Ų119145.9 Ų145.983%0.83281%0.806SS**  trans-149.4124.9154.252.90000112.8
520M37.9Very low41.8Very low184 Ų184148 Ų14891%0.90681%0.81SS**  trans-171.4161.9173.2-111.7-158.2-173.800107.6
521P57.6Low41Very low109 Ų109146.4 Ų146.471%0.70880%0.802SS**  cis-116.3-150-1731.2-9.1000109.6
522P53.3Low40.4Very low124 Ų124147.1 Ų147.181%0.80580%0.804SS**  -139.7168.976.636.8-20000115.2
523R41.9Very low39.7Very low232 Ų232148.5 Ų148.588%0.87581%0.81SS**  trans-92.4155.6164.8-83-175.6162.8-156.4-3.4110.5
524L38.2Very low39.7Very low180 Ų180144.2 Ų144.294%0.94281%0.805SS**  -155.5164.8128.1-99.1-175.3000110.4
525N39.1Very low39.3Very low139 Ų139140.4 Ų140.474%0.74380%0.804SS**  trans-135.8145.3-178.4-170.326.3000107.3
526P48.9Very low39.1Very low119 Ų119139.2 Ų139.277%0.77381%0.808SS**  -152.9173.5101.238.9-20.1000117.6
527R34.1Very low39Very low223 Ų223141.8 Ų141.884%0.84281%0.809SS**  trans-76.4-171165.6-112.2-171.9162-158.6-1.4111.7
528P56.2Low40.3Very low100 Ų100142.5 Ų142.565%0.64981%0.806SS**  cis-138.8170.9-36.538.1-21.9000115
529V33.9Very low41.1Very low134 Ų134140.1 Ų140.181%0.81280%0.8SS**  trans-165.1130.5143.6-99.70000108.9
530L35.2Very low41.5Very low159 Ų159139.8 Ų139.883%0.83280%0.797SS**  66.3138.293.3-106.877.6000114.7
531S33.4Very low41.5Very low84 Ų84138.6 Ų138.659%0.58779%0.794SS**  cis-153.2156.224.4-63.90000115
532T35Very low40.6Very low134 Ų134140 Ų14082%0.82279%0.794SS**  trans54138.5143.9530000120.4
533V36.1Very low39.7Very low142 Ų142137.2 Ų137.286%0.86179%0.788SS**  cis-139158.915.2-177.40000106.9
534G33.9Very low39.6Very low73 Ų73133.9 Ų133.975%0.75379%0.786SS**  cis124.6142.16.900000110.7
535G33Very low39.5Very low74 Ų74133.2 Ų133.276%0.76378%0.778SS**  cis-177.6-168.6-2.100000113.8
536Q35.2Very low39.5Very low201 Ų201133.2 Ų133.294%0.93978%0.783SS**  trans73.7150.5179.1-58.4-162.53.400118.7
537Q34.9Very low38.9Very low183 Ų183133.6 Ų133.686%0.85578%0.778SS**  trans-126.2-140.1-177-68.8-172-61.600110.2
538P59.9Low39.1Very low109 Ų109127.3 Ų127.371%0.70877%0.769SS**  -116.3-151.9-113.441.4-20.1000110.5
539P52.1Low38.2Very low121 Ų121130.6 Ų130.679%0.78678%0.776SS**  -140.4-177.656.937.4-16.5000115
540S42.3Very low38.5Very low111 Ų111128.4 Ų128.478%0.77677%0.766SS**  trans-110.2134.3169.9-44.60000110.3
541L36.5Very low38.8Very low159 Ų159125.6 Ų125.683%0.83276%0.76SS**  trans-168.2150.3157.1-138.971.2000112.7
542I39.6Very low39.5Very low139 Ų139129.5 Ų129.571%0.71377%0.773SS**  trans63.7143.3166.6-99.865.9000116.3I544I542-I544 HydrophobicContact CG2-CD1 4.43Å
543G33.5Very low40.1Very low66 Ų66135.2 Ų135.268%0.6879%0.79SS**  cis108.979.1-8.500000115.2
544I40.7Very low40.3Very low162 Ų162134.9 Ų134.983%0.83179%0.787SS**  trans-140.3150.4165.4-90.4141.1000109.3I542I542-I544 HydrophobicContact CG2-CD1 4.43Å
545Q35.9Very low40.7Very low165 Ų165138.2 Ų138.277%0.77179%0.788SS**  trans-115.9135.4-176.4171.7-175.55.600109
546T39.4Very low41.1Very low139 Ų139141.7 Ų141.785%0.85379%0.79SS**  trans-135.1156.9161.946.90000110
547D35.5Very low41.5Very low127 Ų127138.2 Ų138.268%0.67978%0.781SS**  trans-123.9166.7-155.8-156.3-66.5000111.3
548S38.1Very low41.9Very low92 Ų92135.4 Ų135.464%0.64378%0.776SS**  trans69.6153.6158.9-72.60000117.4
549Q38.7Very low40.7Very low169 Ų169137.2 Ų137.279%0.7978%0.781SS**  cis-152.51652.2-131.8174.9800113.1
550S40.7Very low39.8Very low87 Ų87138.4 Ų138.461%0.60878%0.78SS**  trans-5.2158.7147.856.90000121
551S41.5Very low39.7Very low100 Ų100140.5 Ų140.570%0.69978%0.781SS**  cis-179.1169.1-9.9-91.20000108.9
552L46.6Very low39.9Very low167 Ų167138.9 Ų138.987%0.87478%0.776SS**  trans54.6112151.9-71.3159.2000118.8
553H48.9Very low40Very low254 Ų254138.9 Ų138.9100%1.17678%0.782SS**  -148097.2-150.2-48.9000110.6

Retrieved 553 of 553 residues in 74.1 ms (Link to these results)