A0A060W031_ONCMY Loading...

Family with sequence similarity 43 member A

AlphaFold DB , UniProt , Accession A0A060W031, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110497621, Length 346 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M36.3Very low35.2Very low236 Ų236177.5 Ų177.5100%1.16385%0.854SS**  0107.30-70.6166.465.600108.1
2L40.7Very low35.1Very low143 Ų143176.3 Ų176.375%0.74985%0.852SS**  trans-69.2153.6160.3-76.1152.1000108
3P45.4Very low34.8Very low126 Ų126176.3 Ų176.382%0.81885%0.85SS**  -135.3136.911729.1-13.8000112.5
4W30Very low34.6Very low189 Ų189176.6 Ų176.672%0.71685%0.85SS**  trans-74.6147171.8-65.116.6000110.4
5K39.2Very low34.1Very low208 Ų208173.3 Ų173.390%0.90484%0.838SS**  trans-136.8122.5144.9-97.2-166.2178-1770110.6
6K39.6Very low33.9Very low166 Ų166173 Ų17372%0.72283%0.832SS**  trans-73.7144.8170.2-63170.6174.3177.20109.1
7N33.2Very low33.9Very low160 Ų160173.6 Ų173.686%0.85683%0.834SS**  trans-154.499.3145.1-91.6-17.8000106.4
8K33Very low33.6Very low188 Ų188170.6 Ų170.682%0.81783%0.833SS**  71.6102.691.2-129-177.3-171.8-173.70111.3
9F28.2Very low33.4Very low206 Ų206172.5 Ų172.590%0.90484%0.837SS**  trans-63.9131167.3-76.4-100.9000108.9
10D30.4Very low33.3Very low154 Ų154174.1 Ų174.182%0.82484%0.843SS**  trans-122131.1155.5-88.2-36.2000108.4
11L31.4Very low33.3Very low176 Ų176175.8 Ų175.892%0.92185%0.846SS**  trans-90.8117-177-166.384.3000107.3
12I34.1Very low33.1Very low163 Ų163167.9 Ų167.984%0.83683%0.825SS**  trans-135.5131.9165.4-62.5178.1000108.4
13E30.3Very low32.8Very low177 Ų177172.4 Ų172.483%0.82783%0.834SS**  trans-63.8152.8-178.2-81.1170.5135.700114.8
14E32.2Very low32.2Very low180 Ų180171 Ų17184%0.84183%0.832SS**  trans29.4119.8154-57.1-148.1140.300120.5
15D27.7Very low32.6Very low127 Ų127168.1 Ų168.168%0.67984%0.835SS**  -160136.8108.1-123.6-23.5000113.8
16K31.1Very low32.6Very low169 Ų169163.2 Ų163.274%0.73583%0.827SS**  trans28.9135.1149.3-74.5162.9-165148.80123.8
17Q33.1Very low32.7Very low184 Ų184162.8 Ų162.886%0.8683%0.832SS**  trans76106.7147-70.2176.76.600119.1
18S28.3Very low33.1Very low119 Ų119161.8 Ų161.883%0.83283%0.827SS**  trans-166.8116.4132.843.50000115
19K30.3Very low33.6Very low207 Ų207162.2 Ų162.290%0.983%0.825SS**  trans34.3104.6138.6-62.9177.7-179.9175.60119.1K21K19-K21 PolarHBondContact O-N 2.83Å
20Q31.2Very low34.8Very low203 Ų203156.9 Ų156.995%0.94981%0.813SS**  trans-68.5120.9157.8-72.3179.9-32.900110.8
21K34.1Very low35.5Very low211 Ų211153 Ų15392%0.91780%0.802SS**  trans-88.399159.1-94.3-179.7174.1177.40108.2K19K19-K21 PolarHBondContact O-N 2.83Å
22G31.9Very low36.4Very low69 Ų69150.8 Ų150.871%0.71179%0.79SS**  trans-90.1126.9167.900000110.3A24G22-A24 PolarHBondContact O-N 3.13Å; G22-A24 VanDerWaalsContact O-N 3.17Å
23Y34.7Very low37.2Very low239 Ų239146.7 Ų146.794%0.93777%0.773SS**  trans-68.4104.1163.3-79.6-94.9000108.2
24A33.2Very low37.9Very low95 Ų95143.1 Ų143.179%0.78577%0.768SS**  trans-84.9118.4171.200000109.2G22 S26G22-A24 PolarHBondContact O-N 3.13Å; G22-A24 VanDerWaalsContact O-N 3.17Å; A24-S26 PolarHBondContact O-N 3.08Å
25V36.9Very low38.7Very low129 Ų129142.5 Ų142.578%0.78276%0.763SS**  trans-72.3108.1162.6170.30000106.8L27V25-L27 HydrophobicContact CG1-CG 4.47Å; V25-L27 PolarHBondContact O-N 3.31Å
26S40.6Very low39.6Very low105 Ų105140.1 Ų140.173%0.73476%0.76SS**  trans-72.8102.7173.657.70000109.5A24A24-S26 PolarHBondContact O-N 3.08Å
27L40Very low40.5Very low157 Ų157141.5 Ų141.582%0.82277%0.766SS**  trans-80.7124.7166.3-74.1169.8000109V25 Y29V25-L27 HydrophobicContact CG1-CG 4.47Å; V25-L27 PolarHBondContact O-N 3.31Å; L27-Y29 PolarHBondContact O-N 3.45Å
28N41.8Very low41.2Very low140 Ų140137.4 Ų137.475%0.74976%0.758SS**  trans-61.6125.9-177.1-79.2-41.3000112S30N28-S30 PolarHBondContact O-N 3.43Å
29Y44.7Very low42.1Very low197 Ų197135.7 Ų135.777%0.77375%0.745SS**THydrogen-bonded Turntrans-75.94-172.8-156.3-100.2000114.5L27 T33L27-Y29 PolarHBondContact O-N 3.45Å; Y29-T33 HydrophobicContact CE1-CG2 4.44Å
30S52Low43Very low94 Ų94130.3 Ų130.366%0.65773%0.731SS**THydrogen-bonded Turntrans-91.7-17.1-169.556.30000115.3N28 T33N28-S30 PolarHBondContact O-N 3.43Å; S30-T33 PolarHBondContact O-OG1 3.1Å
31A46.7Very low43.9Very low71 Ų71129.4 Ų129.459%0.58773%0.727SS**SBendtrans-86.9-20.2179.500000113.5
32L49.7Very low44.7Very low131 Ų131124.1 Ų124.169%0.68672%0.717SS**SBendtrans-89.1-16-177.2-65.8177.5000113.4
33T49.9Very low45.5Very low76 Ų76122.7 Ų122.747%0.46670%0.698SS.*THydrogen-bonded Turntrans-77.2-20.3-179.236.90000113.6Y29 S30Y29-T33 HydrophobicContact CE1-CG2 4.44Å; S30-T33 PolarHBondContact O-OG1 3.1Å
34S46.7Very low46.3Very low103 Ų103117.7 Ų117.772%0.7269%0.687SS**THydrogen-bonded Turntrans-79.7-26.1177.3-1220000113.7
35F47.2Very low47.2Very low167 Ų167120.3 Ų120.373%0.73269%0.688SS**THydrogen-bonded Turntrans-84.7-18.1176.1-79-79.4000113.6K37F35-K37 VanDerWaalsContact C-N 3.33Å; F35-K37 PolarHBondContact O-N 3.36Å
36A47.9Very low47.9Very low76 Ų76124.4 Ų124.463%0.62869%0.689SS**THydrogen-bonded Turntrans-81.7-6.4-175.800000114.3
37K49.2Very low48.5Very low198 Ų198123.2 Ų123.286%0.86168%0.677SS**THydrogen-bonded Turntrans-92.8-1.5-179.6-80.6-165.4175.6-176.40115.2F35F35-K37 VanDerWaalsContact C-N 3.33Å; F35-K37 PolarHBondContact O-N 3.36Å
38S48.5Very low49Very low98 Ų98118.4 Ų118.469%0.68567%0.666SS**SBendtrans-122.715.1-174.563.70000115.7
39C47.5Very low49.6Very low84 Ų84116.1 Ų116.157%0.56866%0.661SS**SBendtrans-126.9124.8-178-142.10000112.4
40P48.8Very low50.1Low94 Ų94114.2 Ų114.261%0.6166%0.661SS**  trans-66.6147.2176.827.6-32.1000111S42 A43P40-S42 PolarHBondContact O-N 3.16Å; P40-A43 PolarHBondContact O-N 3.03Å
41E49.6Very low50.2Low184 Ų184117 Ų11786%0.8666%0.661SS**THydrogen-bonded Turntrans-57.9-2.9-167.8-156.1162.9164.900115.9
42S51.2Low50.5Low100 Ų100122.1 Ų122.170%0.69967%0.67SS**THydrogen-bonded Turntrans-95.7-8.7-17954.70000114.8P40P40-S42 PolarHBondContact O-N 3.16Å
43A49Very low50.9Low39 Ų39121.3 Ų121.332%0.32267%0.671SS.*SBendtrans-86.7-23.8179.700000114.3P40 N45 R46P40-A43 PolarHBondContact O-N 3.03Å; A43-N45 PolarHBondContact O-N 2.81Å; A43-R46 PolarHBondContact O-N 3.23Å
44L52.2Low51.3Low134 Ų134126.3 Ų126.370%0.70269%0.686SS**Hα-helixtrans-71.2-27.9-173.2-70.3177.7000113.7R46 V47L44-R46 VanDerWaalsContact C-N 3.26Å; L44-R46 PolarHBondContact O-N 3.45Å; L44-V47 PolarHBondContact O-N 2.86Å
45N51.5Low51.7Low149 Ų149133 Ų13380%0.79770%0.696SS**Hα-helixtrans-73.5-17.1177.8-70-24.5000113.3A43A43-N45 PolarHBondContact O-N 2.81Å
46R52.3Low52.4Low216 Ų216133.4 Ų133.482%0.81570%0.697SS**Hα-helixtrans-88.4-22.2177.9-166.3175.3-83.7-155.6-2.7112.9A43 L44A43-R46 PolarHBondContact O-N 3.23Å; L44-R46 VanDerWaalsContact C-N 3.26Å; L44-R46 PolarHBondContact O-N 3.45Å
47V52.9Low52.8Low79 Ų79139.1 Ų139.148%0.47971%0.708SS.*Hα-helixtrans-90.8-23.6-178-1720000112.5L44 S49 M50 F51L44-V47 PolarHBondContact O-N 2.86Å; V47-S49 PolarHBondContact O-N 2.7Å; V47-S49 VanDerWaalsContact O-N 3.11Å; V47-M50 PolarHBondContact O-N 3.04Å; V47-F51 HydrophobicContact CG1-CE2 4.27Å
48G50.7Low53.3Low57 Ų57134.5 Ų134.559%0.58870%0.696SS**THydrogen-bonded Turntrans-63.7-15.7177.900000115.3
49S54.6Low53.5Low91 Ų91138.9 Ų138.964%0.63670%0.703SS**THydrogen-bonded Turntrans-91.9-12.9178.5-167.60000114.2V47 F51V47-S49 PolarHBondContact O-N 2.7Å; V47-S49 VanDerWaalsContact O-N 3.11Å; S49-F51 VanDerWaalsContact C-N 3.32Å; S49-F51 PolarHBondContact O-N 3.25Å
50M53.6Low54.1Low157 Ų157141.4 Ų141.477%0.77371%0.709SS**THydrogen-bonded Turntrans-82.1-10.6-175.9-59.4-145.783.200113.6V47V47-M50 PolarHBondContact O-N 3.04Å
51F54.6Low54.3Low154 Ų154143 Ų14368%0.67572%0.717SS**THydrogen-bonded Turntrans-119.221.3-175.6-62.6-79.4000114.4V47 S49 T53V47-F51 HydrophobicContact CG1-CE2 4.27Å; S49-F51 VanDerWaalsContact C-N 3.32Å; S49-F51 PolarHBondContact O-N 3.25Å; F51-T53 PolarHBondContact O-N 3.44Å
52K53.2Low54.9Low177 Ų177139.4 Ų139.477%0.7771%0.712SS**  trans-73.169.5161.2-66.3-158.8-178.1-1770108.9K54K52-K54 PolarHBondContact O-N 3.29Å
53T57.7Low55.9Low114 Ų114142.6 Ų142.670%0.69972%0.716SS**  trans-61.390.8167.3410000107.1F51 R55F51-T53 PolarHBondContact O-N 3.44Å; T53-R55 VanDerWaalsContact C-N 3.31Å; T53-R55 PolarHBondContact O-N 2.97Å
54K58.7Low57.5Low181 Ų181144.5 Ų144.579%0.78772%0.721SS**  trans-55.2104.3164.2-76-171.6176.8-177.60105.4K52 K56K52-K54 PolarHBondContact O-N 3.29Å; K54-K56 PolarHBondContact O-N 3.42Å
55R55.4Low59.2Low245 Ų245140.3 Ų140.393%0.92570%0.702SS**  trans-61.984.4174.2-70.5-177.9178.8176.2-0.8107.4T53 K57T53-R55 VanDerWaalsContact C-N 3.31Å; T53-R55 PolarHBondContact O-N 2.97Å; R55-K57 PolarHBondContact O-N 2.84Å
56K62Low61.1Low175 Ų175136.6 Ų136.676%0.76168%0.684SS**  trans-74.1116.9171.8-77-175.9177-179.50106.3K54 V58K54-K56 PolarHBondContact O-N 3.42Å; K56-V58 VanDerWaalsContact C-N 3.29Å; K56-V58 PolarHBondContact O-N 3.27Å
57K56.6Low63Low196 Ų196127.7 Ų127.785%0.85265%0.651SS**  trans-68.490.7171-172.9175.7-177.7176.70107.5R55 K59R55-K57 PolarHBondContact O-N 2.84Å; K57-K59 PolarHBondContact O-N 2.88Å
58V59.5Low65Low101 Ų101128.2 Ų128.261%0.61266%0.655SS**  trans-78.4114.6173.1-175.50000106.6K56 I60K56-V58 VanDerWaalsContact C-N 3.29Å; K56-V58 PolarHBondContact O-N 3.27Å; V58-I60 VanDerWaalsContact C-N 3.28Å; V58-I60 HydrophobicContact CB-CG1 4.03Å; V58-I60 HydrophobicContact CG1-CD1 4.49Å; V58-I60 HydrophobicContact CG1-CG1 3.58Å; V58-I60 PolarHBondContact O-N 3.06Å
59K52.4Low67.1Low190 Ų190125.8 Ų125.883%0.82663%0.628SS**  trans-72.592.9164.5-72.2-176.2179.3-179.20106.4K57K57-K59 PolarHBondContact O-N 2.88Å
60I60.6Low69Low137 Ų137123 Ų12370%0.70361%0.606SS**  trans-78126.3177-59.4171000106.3V58V58-I60 VanDerWaalsContact C-N 3.28Å; V58-I60 HydrophobicContact CB-CG1 4.03Å; V58-I60 HydrophobicContact CG1-CD1 4.49Å; V58-I60 HydrophobicContact CG1-CG1 3.58Å; V58-I60 PolarHBondContact O-N 3.06Å
61T51.1Low71Confident126 Ų126117 Ų11777%0.77358%0.575SS**  trans79.578.5177.3-31.50000114.8
62S62.5Low72.9Confident109 Ų109110.6 Ų110.676%0.76255%0.548SS*.PPolyproline II helixtrans-68.1130.2146.252.60000107.4
63E72.6Confident74.8Confident168 Ų168102.8 Ų102.879%0.78552%0.517SS*.PPolyproline II helixtrans-56.3144.2170.8-174.6176.4178.900110.4
64D82.8Confident76.5Confident79 Ų79100.2 Ų100.242%0.42250%0.499SS..PPolyproline II helixtrans-62.4125.2178.5-71.8-31.6000109.8T66 T109 S111D64-T66 PolarHBondContact O-N 3.25Å; D64-T66 PolarHBondContact O-OG1 3.43Å; D64-T109 HydrophobicContact CB-CG2 3.5Å; D64-T109 VanDerWaalsContact CB-CG2 3.5Å; D64-S111 VanDerWaalsContact OD2-CB 3.24Å; D64-S111 WeakPolarHBondContact OD2-CB 3.4Å
65P88.7Confident78.3Confident46 Ų4692 Ų9230%0.29947%0.465SS..PPolyproline II helixtrans-65.9127.2-173.626.4-34.5000110.8Y67 I110 L183P65-Y67 HydrophobicContact CB-CE2 3.93Å; P65-Y67 HydrophobicContact CG-CE2 4.34Å; P65-I110 PolarHBondContact O-N 2.97Å; P65-L183 HydrophobicContact CB-CD2 4.25Å; P65-L183 HydrophobicContact CG-CD2 3.23Å; P65-L183 HydrophobicContact CG-CG 4.5Å
66T91Very high80.1Confident70 Ų7084.5 Ų84.543%0.42945%0.447SS..EExtended strand (participates in β ladder)trans-113.5129.4-176.4-62.20000110.7D64 K107 L108 T109D64-T66 PolarHBondContact O-N 3.25Å; D64-T66 PolarHBondContact O-OG1 3.43Å; T66-K107 HydrophobicContact CG2-CB 4.03Å; T66-L108 WeakPolarHBondContact CA-O 3.12Å; T66-T109 WeakPolarHBondContact CG2-OG1 3.32Å; T66-T109 PolarHBondContact OG1-OG1 3.48Å
67Y92.9Very high81.5Confident29 Ų2977.4 Ų77.411%0.11442%0.418CS..EExtended strand (participates in β ladder)trans-119.9127.6-176.5-56.9-85.6000110.5P65 V69 L108 I110 M180 L183P65-Y67 HydrophobicContact CB-CE2 3.93Å; P65-Y67 HydrophobicContact CG-CE2 4.34Å; Y67-V69 PolarHBondContact O-N 2.99Å; Y67-L108 PolarHBondContact N-O 3.27Å; Y67-L108 PolarHBondContact O-N 3.05Å; Y67-I110 HydrophobicContact CE2-CD1 4.25Å; Y67-M180 HydrophobicContact CD1-CG 4.16Å; Y67-M180 HydrophobicContact CD1-SD 4.2Å; Y67-M180 HydrophobicContact CD2-CE 4.17Å; Y67-M180 HydrophobicContact CD2-CG 3.77Å; Y67-M180 HydrophobicContact CD2-SD 4.1Å; Y67-M180 HydrophobicContact CE1-CG 4.14Å; Y67-M180 HydrophobicContact CE2-CG 3.74Å; Y67-M180 HydrophobicContact CG-CE 4.29Å; Y67-M180 HydrophobicContact CG-CG 3.98Å; Y67-M180 HydrophobicContact CG-SD 3.86Å; Y67-L183 HydrophobicContact CE2-CD2 4.35Å
68T93.9Very high83Confident91 Ų9175.9 Ų75.956%0.55842%0.418SS*.EExtended strand (participates in β ladder)trans-76.1118.9168.2-52.60000109.2V120T68-V120 HydrophobicContact CG2-CG2 4.11Å
69V95Very high84.3Confident5 Ų576 Ų763%0.0341%0.411CS..EExtended strand (participates in β ladder)trans-131.8158.7-176.4-57.70000111.1Y67 M106 L108 M117 V169 V171 M180Y67-V69 PolarHBondContact O-N 2.99Å; V69-M106 PolarHBondContact N-O 3Å; V69-M106 PolarHBondContact O-N 3.23Å; V69-L108 HydrophobicContact CG1-CB 4.29Å; V69-L108 HydrophobicContact CG2-CB 3.76Å; V69-L108 HydrophobicContact CG2-CD1 4.25Å; V69-M117 HydrophobicContact CG2-CE 3.86Å; V69-V169 HydrophobicContact CB-CB 4.1Å; V69-V169 HydrophobicContact CB-CG2 4.36Å; V69-V169 HydrophobicContact CG1-CG2 4.44Å; V69-V169 HydrophobicContact CG2-CB 4.05Å; V69-V169 HydrophobicContact CG2-CG1 4.04Å; V69-V169 HydrophobicContact CG2-CG2 4.46Å; V69-V171 HydrophobicContact CG1-CG2 4.05Å; V69-M180 HydrophobicContact CG1-CE 4.05Å; V69-M180 HydrophobicContact CG1-SD 4.43Å
70L94.9Very high85.7Confident32 Ų3268.9 Ų68.917%0.16839%0.386CS..EExtended strand (participates in β ladder)trans-102.3111.1171.8-175.974.6000108.7L72 G100 G103 K105 V169 L170L70-L72 HydrophobicContact CD2-CD2 4.14Å; L70-L72 HydrophobicContact CG-CD2 4.4Å; L70-L72 PolarHBondContact O-N 3.37Å; L70-G100 WeakPolarHBondContact CD2-O 3.27Å; L70-G103 VanDerWaalsContact CD1-C 3.42Å; L70-G103 WeakPolarHBondContact CD1-O 3.45Å; L70-K105 HydrophobicContact CD1-CG 3.92Å; L70-V169 CarbonylContact O-C 3.59Å; L70-V169 WeakPolarHBondContact O-CA 3.1Å; L70-L170 HydrophobicContact CB-CB 4.2Å; L70-L170 HydrophobicContact CD2-CD2 4.06Å; L70-L170 PolarHBondContact N-O 3.4Å; L70-L170 PolarHBondContact O-N 3.18Å
71Y95.2Very high86.9Confident33 Ų3365.1 Ų65.113%0.12936%0.364CS..EExtended strand (participates in β ladder)trans-74.3115.8176.5-178.6-108.1000110.1N74 G103 T104 M106 H167 V169Y71-N74 PolarHBondContact OH-OD1 3.37Å; Y71-G103 CarbonylContact O-C 3.56Å; Y71-G103 WeakPolarHBondContact O-CA 3.37Å; Y71-T104 PolarHBondContact N-O 2.85Å; Y71-T104 PolarHBondContact O-N 3.33Å; Y71-M106 HydrophobicContact CD1-CE 4.13Å; Y71-M106 HydrophobicContact CD1-SD 4.43Å; Y71-M106 HydrophobicContact CG-CE 4.34Å; Y71-M106 HydrophobicContact CG-SD 4.04Å; Y71-H167 HydrophobicContact CE2-CB 4.4Å; Y71-H167 AromaticContact CE2-ND1 3.97Å; Y71-H167 AromaticContact CZ-ND1 3.99Å; Y71-H167 PolarHBondContact OH-ND1 2.89Å; Y71-H167 VanDerWaalsContact OH-ND1 3.1Å; Y71-V169 HydrophobicContact CD2-CG1 3.89Å
72L94.5Very high88.4Confident18 Ų1860.7 Ų60.79%0.09434%0.344CS..EExtended strand (participates in β ladder)trans-86-27.5-177.2-59.2-178.7000112.2L70 I93 W94 I148 A168 L170L70-L72 HydrophobicContact CD2-CD2 4.14Å; L70-L72 HydrophobicContact CG-CD2 4.4Å; L70-L72 PolarHBondContact O-N 3.37Å; L72-I93 HydrophobicContact CB-CG2 3.58Å; L72-W94 HydrophobicContact CD1-CE3 3.83Å; L72-W94 HydrophobicContact CD1-CZ3 4.04Å; L72-I148 HydrophobicContact CD1-CD1 4.23Å; L72-A168 PolarHBondContact N-O 3.37Å; L72-A168 VanDerWaalsContact N-O 3.14Å; L72-L170 HydrophobicContact CD1-CB 4.15Å; L72-L170 HydrophobicContact CD2-CB 4.03Å; L72-L170 HydrophobicContact CG-CB 4.12Å
73G93.1Very high89.5Confident13 Ų1364.7 Ų64.713%0.13435%0.35CS..EExtended strand (participates in β ladder)trans132.8-160.8179.700000113A168G73-A168 PolarHBondContact O-N 3.12Å
74N94.1Very high90Very high60 Ų6057.8 Ų57.832%0.32133%0.325SS..EExtended strand (participates in β ladder)trans-140.5150.2-175.159.5-78.2000112.1Y71 R165 C166Y71-N74 PolarHBondContact OH-OD1 3.37Å; N74-R165 HydrophobicContact CB-CG 3.75Å; N74-R165 WeakPolarHBondContact ND2-CD 3.38Å; N74-R165 VanDerWaalsContact ND2-CZ 3.3Å; N74-R165 PolarHBondContact ND2-NE 2.84Å; N74-R165 VanDerWaalsContact ND2-NE 3.17Å; N74-R165 PolarHBondContact ND2-NH1 2.55Å; N74-C166 CarbonylContact C-O 3.17Å; N74-C166 WeakPolarHBondContact CA-O 3.43Å; N74-C166 WeakPolarHBondContact CB-O 3.29Å
75A95.3Very high90.3Very high9 Ų954.3 Ų54.37%0.07431%0.306CS..EExtended strand (participates in β ladder)trans-137.8148.5174.900000110.2A89 I93 R165 C166A75-A89 HydrophobicContact CB-CB 4.19Å; A75-I93 HydrophobicContact CB-CD1 3.94Å; A75-I93 HydrophobicContact CB-CG1 3.71Å; A75-R165 CarbonylContact O-C 3.54Å; A75-R165 WeakPolarHBondContact O-CA 3.2Å; A75-C166 PolarHBondContact N-O 3.42Å; A75-C166 PolarHBondContact O-N 2.89Å
76T93.6Very high90.5Very high88 Ų8852.2 Ų52.254%0.5429%0.293SS..EExtended strand (participates in β ladder)trans-71.7141.5173.549.20000109.9M163T76-M163 HydrophobicContact CG2-CE 4.48Å; T76-M163 HydrophobicContact CG2-CG 4.24Å; T76-M163 HydrophobicContact CG2-SD 3.64Å
77T92.1Very high90.5Very high25 Ų2550.8 Ų50.815%0.15328%0.282CS..EExtended strand (participates in β ladder)trans-129.4156.1174.6-1720000109.8Q79 C85 I152 L164T77-Q79 WeakPolarHBondContact CG2-O 3.43Å; T77-C85 PolarHBondContact OG1-O 2.82Å; T77-I152 HydrophobicContact CG2-CD1 4.06Å; T77-I152 HydrophobicContact CG2-CG1 4.31Å; T77-I152 HydrophobicContact CG2-CG2 3.92Å; T77-L164 HydrophobicContact CG2-CB 3.72Å; T77-L164 PolarHBondContact N-O 3.4Å; T77-L164 WeakPolarHBondContact O-CB 3.39Å
78I87.6Confident90.5Very high165 Ų16553.9 Ų53.985%0.84630%0.304SS*.SBendtrans-96.1-33.3-179.4-58.8170.2000110.1
79Q86.4Confident90.5Very high102 Ų10249.7 Ų49.748%0.47728%0.279SS..  trans-92.1136.5-177.4-65.6-176.126.100110.6T77 C85T77-Q79 WeakPolarHBondContact CG2-O 3.43Å; Q79-C85 HydrophobicContact CB-CB 3.62Å
80S82.6Confident90.5Very high41 Ų4149.5 Ų49.529%0.28728%0.278SS..SBendtrans-92.4-26.9177.656.50000113.3T137 Y138S80-T137 WeakPolarHBondContact O-CB 3.32Å; S80-T137 PolarHBondContact O-OG1 3.45Å; S80-Y138 WeakPolarHBondContact O-CB 3.46Å
81K85.4Confident90.4Very high59 Ų5950.9 Ų50.926%0.25729%0.29SS..SBendtrans-152.2159.3-176.8-56.7-172.1-178.5-179.90108.6D290 E293 S295K81-D290 PolarHBondContact NZ-O 3.2Å; K81-E293 PolarHBondContact NZ-O 2.89Å; K81-S295 WeakPolarHBondContact CB-OG 3.26Å; K81-S295 WeakPolarHBondContact CD-OG 3.41Å; K81-S295 WeakPolarHBondContact CG-OG 3.46Å
82G83.4Confident90.4Very high33 Ų3355 Ų5534%0.3431%0.309SS..SBendtrans123.5158.7176.300000113.4G84 C85 Y138G82-G84 PolarHBondContact O-N 3.34Å; G82-C85 WeakPolarHBondContact O-CB 3.46Å; G82-C85 PolarHBondContact O-N 3.36Å; G82-C85 PolarHBondContact O-SG 3.28Å; G82-Y138 PolarHBondContact O-OH 2.89Å
83E83.7Confident90.4Very high192 Ų19254.3 Ų54.390%0.89731%0.305SS*.THydrogen-bonded Turntrans-64.3131.4176.5-171173.2-177.800110.1C85E83-C85 VanDerWaalsContact C-N 3.26Å; E83-C85 PolarHBondContact O-N 2.87Å
84G85.1Confident90.5Very high24 Ų2456.1 Ų56.125%0.24731%0.308CS..THydrogen-bonded Turntrans73.54.4179.700000116.7G82 T86 D87G82-G84 PolarHBondContact O-N 3.34Å; G84-T86 PolarHBondContact O-N 3.44Å; G84-T86 VanDerWaalsContact O-N 3.08Å; G84-D87 WeakPolarHBondContact CA-OD2 3.36Å; G84-D87 WeakPolarHBondContact O-CB 3.37Å; G84-D87 PolarHBondContact O-N 3.15Å
85C88.4Confident90.5Very high5 Ų555.4 Ų55.43%0.03432%0.315CS..THydrogen-bonded Turntrans-58.8-25.7179.765.60000114T77 Q79 G82 E83 Y138 I152T77-C85 PolarHBondContact OG1-O 2.82Å; Q79-C85 HydrophobicContact CB-CB 3.62Å; G82-C85 WeakPolarHBondContact O-CB 3.46Å; G82-C85 PolarHBondContact O-N 3.36Å; G82-C85 PolarHBondContact O-SG 3.28Å; E83-C85 VanDerWaalsContact C-N 3.26Å; E83-C85 PolarHBondContact O-N 2.87Å; C85-Y138 WeakPolarHBondContact SG-CD1 3.47Å; C85-Y138 WeakPolarHBondContact SG-CE1 3.28Å; C85-I152 HydrophobicContact CB-CD1 4.42Å
86T91.9Very high90.4Very high3 Ų362.7 Ų62.72%0.01834%0.344CS..THydrogen-bonded Turntrans-91.5-16179.744.60000113.9G84 V88 A89 V90 Y138 V140 I152G84-T86 PolarHBondContact O-N 3.44Å; G84-T86 VanDerWaalsContact O-N 3.08Å; T86-V88 PolarHBondContact O-N 3.4Å; T86-A89 PolarHBondContact O-N 3.29Å; T86-A89 VanDerWaalsContact O-N 3.1Å; T86-V90 WeakPolarHBondContact O-CB 3.47Å; T86-V90 WeakPolarHBondContact O-CG2 3.38Å; T86-V90 PolarHBondContact O-N 3.06Å; T86-Y138 HydrophobicContact CG2-CD1 3.57Å; T86-Y138 HydrophobicContact CG2-CE1 3.55Å; T86-V140 HydrophobicContact CG2-CG1 3.9Å; T86-V140 WeakPolarHBondContact OG1-CG1 3.4Å; T86-I152 HydrophobicContact CG2-CD1 3.79Å; T86-I152 HydrophobicContact CG2-CG1 3.82Å
87D91.9Very high90.2Very high39 Ų3958.6 Ų58.621%0.20932%0.319CS..Hα-helixtrans-62.9-47.3-163.8-62.5-13.3000113.1G84 A89 S91 R144G84-D87 WeakPolarHBondContact CA-OD2 3.36Å; G84-D87 WeakPolarHBondContact O-CB 3.37Å; G84-D87 PolarHBondContact O-N 3.15Å; D87-A89 VanDerWaalsContact C-N 3.29Å; D87-A89 PolarHBondContact O-N 2.73Å; D87-S91 VanDerWaalsContact O-CB 3.28Å; D87-S91 WeakPolarHBondContact O-CB 3.49Å; D87-S91 PolarHBondContact O-N 2.86Å; D87-S91 PolarHBondContact O-OG 3.41Å; D87-R144 VanDerWaalsContact CB-NH2 3.34Å; D87-R144 IonicContact OD1-NH2 2.68Å; D87-R144 PolarHBondContact OD1-NH2 2.7Å; D87-R144 IonicContact OD2-CZ 3.6Å; D87-R144 IonicContact OD2-NH2 3.76Å; D87-R144 PolarHBondContact OD2-NH2 3.19Å
88V93Very high90.1Very high95 Ų9562.7 Ų62.758%0.57634%0.337SS*.Hα-helixtrans-65.5-38.3178.4179.30000110.2T86 K92T86-V88 PolarHBondContact O-N 3.4Å; V88-K92 HydrophobicContact CG1-CD 4.33Å; V88-K92 WeakPolarHBondContact O-CB 3.29Å; V88-K92 VanDerWaalsContact O-CG 3.25Å; V88-K92 WeakPolarHBondContact O-CG 3.22Å; V88-K92 PolarHBondContact O-N 3.23Å; V88-K92 VanDerWaalsContact O-N 3.12Å
89A93.6Very high90Very high3 Ų359.8 Ų59.83%0.02532%0.321CS..Hα-helixtrans-71.5-45.5-179.400000111.6A75 T86 D87 K92 I93 C166A75-A89 HydrophobicContact CB-CB 4.19Å; T86-A89 PolarHBondContact O-N 3.29Å; T86-A89 VanDerWaalsContact O-N 3.1Å; D87-A89 VanDerWaalsContact C-N 3.29Å; D87-A89 PolarHBondContact O-N 2.73Å; A89-K92 PolarHBondContact O-N 2.96Å; A89-I93 VanDerWaalsContact O-CG1 3.26Å; A89-I93 WeakPolarHBondContact O-CG1 3.3Å; A89-I93 PolarHBondContact O-N 2.91Å; A89-C166 HydrophobicContact CB-CB 3.54Å
90V94.3Very high89.8Confident1 Ų155.6 Ų55.61%0.00631%0.305CS..Hα-helixtrans-62.5-44.4176.1171.60000110.4T86 K92 I93 W94 L145 I148 A150T86-V90 WeakPolarHBondContact O-CB 3.47Å; T86-V90 WeakPolarHBondContact O-CG2 3.38Å; T86-V90 PolarHBondContact O-N 3.06Å; V90-K92 VanDerWaalsContact C-N 3.32Å; V90-K92 PolarHBondContact O-N 2.81Å; V90-I93 PolarHBondContact O-N 3.3Å; V90-I93 VanDerWaalsContact O-N 3.16Å; V90-W94 VanDerWaalsContact O-CB 3.26Å; V90-W94 WeakPolarHBondContact O-CB 3.24Å; V90-W94 PolarHBondContact O-N 2.94Å; V90-L145 HydrophobicContact CG1-CD1 4.38Å; V90-I148 HydrophobicContact CG1-CD1 4.09Å; V90-I148 HydrophobicContact CG1-CG2 4.11Å; V90-A150 HydrophobicContact CG2-CB 3.76Å
91S93.8Very high89.9Confident61 Ų6161.7 Ų61.743%0.42733%0.326SS..Hα-helixtrans-59.5-41.7176.6-59.50000112.1D87 W94 G95D87-S91 VanDerWaalsContact O-CB 3.28Å; D87-S91 WeakPolarHBondContact O-CB 3.49Å; D87-S91 PolarHBondContact O-N 2.86Å; D87-S91 PolarHBondContact O-OG 3.41Å; S91-W94 PolarHBondContact O-N 3.19Å; S91-G95 PolarHBondContact O-N 3.33Å
92K94.6Very high90Very high119 Ų11962.8 Ų62.852%0.51734%0.335SS..Hα-helixtrans-64.3-43.2174.7-75.3171.8-177.8178.10112.2V88 A89 V90 K96V88-K92 HydrophobicContact CG1-CD 4.33Å; V88-K92 WeakPolarHBondContact O-CB 3.29Å; V88-K92 VanDerWaalsContact O-CG 3.25Å; V88-K92 WeakPolarHBondContact O-CG 3.22Å; V88-K92 PolarHBondContact O-N 3.23Å; V88-K92 VanDerWaalsContact O-N 3.12Å; A89-K92 PolarHBondContact O-N 2.96Å; V90-K92 VanDerWaalsContact C-N 3.32Å; V90-K92 PolarHBondContact O-N 2.81Å; K92-K96 WeakPolarHBondContact O-CB 3.49Å; K92-K96 VanDerWaalsContact O-CG 3.27Å; K92-K96 WeakPolarHBondContact O-CG 3.4Å; K92-K96 PolarHBondContact O-N 3.29Å; K92-K96 VanDerWaalsContact O-N 3.08Å
93I94.7Very high90.1Very high4 Ų463 Ų632%0.02134%0.338CS..Hα-helixtrans-65.9-43.3178-64.6162000109.9L72 A75 A89 V90 G95 K96 S97 A168L72-I93 HydrophobicContact CB-CG2 3.58Å; A75-I93 HydrophobicContact CB-CD1 3.94Å; A75-I93 HydrophobicContact CB-CG1 3.71Å; A89-I93 VanDerWaalsContact O-CG1 3.26Å; A89-I93 WeakPolarHBondContact O-CG1 3.3Å; A89-I93 PolarHBondContact O-N 2.91Å; V90-I93 PolarHBondContact O-N 3.3Å; V90-I93 VanDerWaalsContact O-N 3.16Å; I93-G95 PolarHBondContact O-N 3.14Å; I93-K96 PolarHBondContact O-N 2.94Å; I93-S97 WeakPolarHBondContact O-CB 3.43Å; I93-S97 PolarHBondContact O-N 2.71Å; I93-S97 PolarHBondContact O-OG 3.48Å; I93-A168 HydrophobicContact CD1-CB 3.9Å; I93-A168 HydrophobicContact CG2-CB 4.11Å
94W94.8Very high90.5Very high51 Ų5156.8 Ų56.819%0.19331%0.313CS..Hα-helixtrans-59.6-47.3179-172.3-120.1000111.8L72 V90 S91 K96 S97 M99 L145 I148 L170L72-W94 HydrophobicContact CD1-CE3 3.83Å; L72-W94 HydrophobicContact CD1-CZ3 4.04Å; V90-W94 VanDerWaalsContact O-CB 3.26Å; V90-W94 WeakPolarHBondContact O-CB 3.24Å; V90-W94 PolarHBondContact O-N 2.94Å; S91-W94 PolarHBondContact O-N 3.19Å; W94-K96 PolarHBondContact O-N 3.05Å; W94-S97 WeakPolarHBondContact CA-OG 3.17Å; W94-S97 PolarHBondContact O-N 3.1Å; W94-S97 PolarHBondContact O-OG 3.21Å; W94-M99 HydrophobicContact CD2-CE 4.3Å; W94-M99 HydrophobicContact CG-CE 3.8Å; W94-M99 HydrophobicContact CH2-CB 4.43Å; W94-M99 WeakPolarHBondContact CH2-O 3.37Å; W94-M99 VanDerWaalsContact CZ2-C 3.47Å; W94-M99 HydrophobicContact CZ2-CB 3.78Å; W94-M99 WeakPolarHBondContact CZ2-O 3.4Å; W94-M99 HydrophobicContact CZ2-SD 4.46Å; W94-M99 VanDerWaalsContact NE1-CE 3.33Å; W94-M99 PolarHBondContact NE1-SD 2.89Å; W94-M99 WeakPolarHBondContact O-CE 3.21Å; W94-M99 PolarHBondContact O-N 3.44Å; W94-L145 HydrophobicContact CB-CD1 4.34Å; W94-L145 HydrophobicContact CD2-CD1 4.05Å; W94-L145 HydrophobicContact CG-CD1 3.86Å; W94-I148 HydrophobicContact CD2-CD1 4.14Å; W94-I148 HydrophobicContact CE3-CD1 3.62Å; W94-I148 HydrophobicContact CZ3-CD1 4.03Å; W94-L170 HydrophobicContact CZ3-CD1 4.36Å
95G94.1Very high90.9Very high45 Ų4561.1 Ų61.146%0.46433%0.325SS..Hα-helixtrans-59.3-44.8173.300000113.2S91 I93 S97 E98S91-G95 PolarHBondContact O-N 3.33Å; I93-G95 PolarHBondContact O-N 3.14Å; G95-S97 VanDerWaalsContact C-N 3.28Å; G95-S97 PolarHBondContact O-N 2.98Å; G95-E98 PolarHBondContact O-N 3.11Å
96K92.6Very high91.1Very high161 Ų16161.4 Ų61.470%0.733%0.326SS*.Hα-helixtrans-65.4-29.2177.3-73.7177.1-179.1-171.90113.6K92 I93 W94 E98K92-K96 WeakPolarHBondContact O-CB 3.49Å; K92-K96 VanDerWaalsContact O-CG 3.27Å; K92-K96 WeakPolarHBondContact O-CG 3.4Å; K92-K96 PolarHBondContact O-N 3.29Å; K92-K96 VanDerWaalsContact O-N 3.08Å; I93-K96 PolarHBondContact O-N 2.94Å; W94-K96 PolarHBondContact O-N 3.05Å; K96-E98 PolarHBondContact O-N 3.22Å
97S90.1Very high91.1Very high2 Ų265.6 Ų65.61%0.01434%0.344CS..THydrogen-bonded Turntrans-83.67.1179.470.60000114.1I93 W94 G95 M99 G100 K101 N102I93-S97 WeakPolarHBondContact O-CB 3.43Å; I93-S97 PolarHBondContact O-N 2.71Å; I93-S97 PolarHBondContact O-OG 3.48Å; W94-S97 WeakPolarHBondContact CA-OG 3.17Å; W94-S97 PolarHBondContact O-N 3.1Å; W94-S97 PolarHBondContact O-OG 3.21Å; G95-S97 VanDerWaalsContact C-N 3.28Å; G95-S97 PolarHBondContact O-N 2.98Å; S97-M99 VanDerWaalsContact C-N 3.3Å; S97-M99 PolarHBondContact O-N 3.27Å; S97-G100 PolarHBondContact O-N 3.32Å; S97-G100 VanDerWaalsContact O-N 3.11Å; S97-G100 PolarHBondContact OG-N 3.1Å; S97-K101 PolarHBondContact O-N 2.85Å; S97-K101 VanDerWaalsContact O-N 3.12Å; S97-N102 WeakPolarHBondContact CB-O 3.24Å; S97-N102 PolarHBondContact O-N 3.45Å
98E89.4Confident91.3Very high111 Ų11163.8 Ų63.852%0.51933%0.334SS..THydrogen-bonded Turntrans51.547.3-174.2-60.6-172.3176.200112.6G95 K96 G100 K101 N102G95-E98 PolarHBondContact O-N 3.11Å; K96-E98 PolarHBondContact O-N 3.22Å; E98-G100 PolarHBondContact O-N 3.26Å; E98-K101 HydrophobicContact CB-CB 4.27Å; E98-K101 HydrophobicContact CB-CD 4.45Å; E98-K101 WeakPolarHBondContact O-CG 3.38Å; E98-N102 PolarHBondContact OE2-OD1 3.05Å
99M85.8Confident91.3Very high105 Ų10560.2 Ų60.252%0.51731%0.313SS..THydrogen-bonded Turntrans6239.5-177-46.7-7390.200113.3W94 S97W94-M99 HydrophobicContact CD2-CE 4.3Å; W94-M99 HydrophobicContact CG-CE 3.8Å; W94-M99 HydrophobicContact CH2-CB 4.43Å; W94-M99 WeakPolarHBondContact CH2-O 3.37Å; W94-M99 VanDerWaalsContact CZ2-C 3.47Å; W94-M99 HydrophobicContact CZ2-CB 3.78Å; W94-M99 WeakPolarHBondContact CZ2-O 3.4Å; W94-M99 HydrophobicContact CZ2-SD 4.46Å; W94-M99 VanDerWaalsContact NE1-CE 3.33Å; W94-M99 PolarHBondContact NE1-SD 2.89Å; W94-M99 WeakPolarHBondContact O-CE 3.21Å; W94-M99 PolarHBondContact O-N 3.44Å; S97-M99 VanDerWaalsContact C-N 3.3Å; S97-M99 PolarHBondContact O-N 3.27Å
100G81.9Confident91.3Very high14 Ų1460.2 Ų60.214%0.14431%0.312CS..THydrogen-bonded Turntrans82.611.5174.800000115.1L70 S97 E98L70-G100 WeakPolarHBondContact CD2-O 3.27Å; S97-G100 PolarHBondContact O-N 3.32Å; S97-G100 VanDerWaalsContact O-N 3.11Å; S97-G100 PolarHBondContact OG-N 3.1Å; E98-G100 PolarHBondContact O-N 3.26Å
101K85.7Confident91.1Very high168 Ų16860.5 Ų60.573%0.7331%0.314SS*.THydrogen-bonded Turntrans-75-36.1171.7-66.2177.9-176.8179.70111.5S97 E98S97-K101 PolarHBondContact O-N 2.85Å; S97-K101 VanDerWaalsContact O-N 3.12Å; E98-K101 HydrophobicContact CB-CB 4.27Å; E98-K101 HydrophobicContact CB-CD 4.45Å; E98-K101 WeakPolarHBondContact O-CG 3.38Å
102N86.6Confident90.8Very high83 Ų8361.3 Ų61.344%0.44432%0.32SS..SBendtrans-106.5114-174.1-62.636000108.9S97 E98S97-N102 WeakPolarHBondContact CB-O 3.24Å; S97-N102 PolarHBondContact O-N 3.45Å; E98-N102 PolarHBondContact OE2-OD1 3.05Å
103G87.4Confident90.6Very high38 Ų3861.5 Ų61.539%0.39232%0.323SS..  trans-171.4165.8178.500000112.7L70 Y71L70-G103 VanDerWaalsContact CD1-C 3.42Å; L70-G103 WeakPolarHBondContact CD1-O 3.45Å; Y71-G103 CarbonylContact O-C 3.56Å; Y71-G103 WeakPolarHBondContact O-CA 3.37Å
104T91.4Very high90.4Very high61 Ų6161.3 Ų61.337%0.37432%0.322SS..EExtended strand (participates in β ladder)trans-102124.1178.7-57.20000110.3Y71 M106Y71-T104 PolarHBondContact N-O 2.85Å; Y71-T104 PolarHBondContact O-N 3.33Å; T104-M106 HydrophobicContact CG2-CE 3.8Å; T104-M106 HydrophobicContact CG2-CG 4.06Å; T104-M106 PolarHBondContact O-N 3.35Å
105K92.3Very high90.4Very high114 Ų11458.9 Ų58.950%0.49631%0.312SS..EExtended strand (participates in β ladder)trans-69.6121.3175.2-66.8-179.3-176.2171.50109.9L70 V120L70-K105 HydrophobicContact CD1-CG 3.92Å; K105-V120 HydrophobicContact CB-CB 4.44Å; K105-V120 HydrophobicContact CB-CG2 4.07Å; K105-V120 PolarHBondContact O-N 3.16Å
106M93.1Very high90.4Very high11 Ų1162.1 Ų62.15%0.05431%0.31CS..EExtended strand (participates in β ladder)trans-135.5153.6-179-62.2-177.1172.600111.1V69 Y71 T104 M117 V118V69-M106 PolarHBondContact N-O 3Å; V69-M106 PolarHBondContact O-N 3.23Å; Y71-M106 HydrophobicContact CD1-CE 4.13Å; Y71-M106 HydrophobicContact CD1-SD 4.43Å; Y71-M106 HydrophobicContact CG-CE 4.34Å; Y71-M106 HydrophobicContact CG-SD 4.04Å; T104-M106 HydrophobicContact CG2-CE 3.8Å; T104-M106 HydrophobicContact CG2-CG 4.06Å; T104-M106 PolarHBondContact O-N 3.35Å; M106-M117 HydrophobicContact CB-CE 3.28Å; M106-M117 HydrophobicContact CG-CE 4.18Å; M106-M117 HydrophobicContact SD-CB 4.43Å; M106-M117 HydrophobicContact SD-CE 3.84Å; M106-M117 HydrophobicContact SD-SD 4.27Å; M106-V118 CarbonylContact C-O 3.45Å; M106-V118 VanDerWaalsContact CA-O 3.26Å; M106-V118 WeakPolarHBondContact CA-O 3.45Å; M106-V118 WeakPolarHBondContact CB-O 3.22Å
107K93.3Very high90.4Very high92 Ų9254.6 Ų54.640%0.428%0.278SS..EExtended strand (participates in β ladder)trans-92.6119.8167.8-64.3-176.6178.2174.50108.3T66 M117 V118 V120T66-K107 HydrophobicContact CG2-CB 4.03Å; K107-M117 WeakPolarHBondContact O-CA 3.35Å; K107-V118 PolarHBondContact N-O 3.16Å; K107-V118 PolarHBondContact O-N 3.09Å; K107-V120 HydrophobicContact CG-CG2 3.87Å
108L94.8Very high90.5Very high0 Ų057 Ų570%029%0.293CS..EExtended strand (participates in β ladder)trans-105116178.1-168.9160.3000109.2T66 Y67 V69 I110 I115 R116 M117 W151 V169 M180T66-L108 WeakPolarHBondContact CA-O 3.12Å; Y67-L108 PolarHBondContact N-O 3.27Å; Y67-L108 PolarHBondContact O-N 3.05Å; V69-L108 HydrophobicContact CG1-CB 4.29Å; V69-L108 HydrophobicContact CG2-CB 3.76Å; V69-L108 HydrophobicContact CG2-CD1 4.25Å; L108-I110 HydrophobicContact CD2-CD1 4.18Å; L108-I110 HydrophobicContact CD2-CG1 3.57Å; L108-I115 HydrophobicContact CD1-CG2 3.97Å; L108-I115 HydrophobicContact CD2-CG2 3.71Å; L108-I115 HydrophobicContact CG-CG2 3.61Å; L108-R116 CarbonylContact C-O 3.33Å; L108-R116 WeakPolarHBondContact CA-O 3.36Å; L108-M117 HydrophobicContact CB-CE 3.62Å; L108-M117 HydrophobicContact CB-SD 4.25Å; L108-M117 HydrophobicContact CD1-CE 4.25Å; L108-M117 HydrophobicContact CD1-SD 3.81Å; L108-M117 HydrophobicContact CG-CE 4.08Å; L108-M117 HydrophobicContact CG-CG 4.41Å; L108-M117 HydrophobicContact CG-SD 4.05Å; L108-W151 HydrophobicContact CD1-CH2 4.23Å; L108-W151 HydrophobicContact CD1-CZ3 4.16Å; L108-V169 HydrophobicContact CD1-CG1 4.34Å; L108-V169 HydrophobicContact CD1-CG2 4.23Å; L108-M180 HydrophobicContact CB-CE 4.43Å; L108-M180 HydrophobicContact CD1-CE 3.72Å; L108-M180 HydrophobicContact CD2-CE 3.71Å; L108-M180 HydrophobicContact CG-CE 4.15Å
109T93.9Very high90.6Very high21 Ų2153.2 Ų53.213%0.12928%0.275CS..EExtended strand (participates in β ladder)trans-109.7126.8176.6-52.90000109.2D64 T66 R116D64-T109 HydrophobicContact CB-CG2 3.5Å; D64-T109 VanDerWaalsContact CB-CG2 3.5Å; T66-T109 WeakPolarHBondContact CG2-OG1 3.32Å; T66-T109 PolarHBondContact OG1-OG1 3.48Å; T109-R116 PolarHBondContact N-O 3.03Å; T109-R116 PolarHBondContact O-N 3.35Å
110I93.4Very high90.6Very high3 Ų351 Ų512%0.01527%0.267CS..EExtended strand (participates in β ladder)trans-97.5116.8175.8-61.7170.4000107.5P65 Y67 L108 M180 L183 L184P65-I110 PolarHBondContact O-N 2.97Å; Y67-I110 HydrophobicContact CE2-CD1 4.25Å; L108-I110 HydrophobicContact CD2-CD1 4.18Å; L108-I110 HydrophobicContact CD2-CG1 3.57Å; I110-M180 HydrophobicContact CD1-CB 3.96Å; I110-M180 HydrophobicContact CD1-CG 4.18Å; I110-L183 HydrophobicContact CB-CD2 3.93Å; I110-L183 HydrophobicContact CB-CG 4.46Å; I110-L183 HydrophobicContact CD1-CD2 3.94Å; I110-L183 HydrophobicContact CD1-CG 4.43Å; I110-L183 HydrophobicContact CG1-CD2 4.5Å; I110-L183 HydrophobicContact CG2-CD2 4.06Å; I110-L183 HydrophobicContact CG2-CG 4.04Å; I110-L184 HydrophobicContact CD1-CB 4.44Å; I110-L184 HydrophobicContact CG2-CB 4.4Å; I110-L184 HydrophobicContact CG2-CD1 4Å
111S90.8Very high90.6Very high7 Ų754.9 Ų54.95%0.04928%0.284CS..EExtended strand (participates in β ladder)trans-127.1169-176.266.20000110.7D64 Q113 G114 T187D64-S111 VanDerWaalsContact OD2-CB 3.24Å; D64-S111 WeakPolarHBondContact OD2-CB 3.4Å; S111-Q113 PolarHBondContact O-N 2.85Å; S111-Q113 PolarHBondContact OG-N 3.13Å; S111-G114 PolarHBondContact N-O 3.2Å; S111-G114 PolarHBondContact O-N 3.01Å; S111-G114 PolarHBondContact OG-N 3.15Å; S111-G114 PolarHBondContact OG-O 2.68Å; S111-T187 WeakPolarHBondContact O-CG2 3.5Å
112S87.4Confident89.6Confident77 Ų7754.2 Ų54.254%0.53829%0.289SS..THydrogen-bonded Turntrans-61.5-22.9174.159.10000113.7L133S112-L133 WeakPolarHBondContact O-CD2 3.41Å
113Q88.6Confident88.5Confident124 Ų12459 Ų5958%0.57931%0.306SS*.THydrogen-bonded Turntrans-79.1-23.4174.8-62.9-63.8-32.200112.5S111 L132 L133S111-Q113 PolarHBondContact O-N 2.85Å; S111-Q113 PolarHBondContact OG-N 3.13Å; Q113-L132 WeakPolarHBondContact O-CA 3.44Å; Q113-L133 PolarHBondContact O-N 3.19Å
114G91.4Very high87.3Confident0 Ų058.9 Ų58.90%030%0.301CS..EExtended strand (participates in β ladder)trans134.9-149.8-176.800000113S111 Y131S111-G114 PolarHBondContact N-O 3.2Å; S111-G114 PolarHBondContact O-N 3.01Å; S111-G114 PolarHBondContact OG-N 3.15Å; S111-G114 PolarHBondContact OG-O 2.68Å; G114-Y131 CarbonylContact C-O 3.58Å; G114-Y131 VanDerWaalsContact CA-O 3.31Å; G114-Y131 WeakPolarHBondContact CA-O 3.45Å
115I94.8Very high85.6Confident0 Ų068 Ų680%033%0.329CS..EExtended strand (participates in β ladder)trans-97.8119.7-177.2-55.2172.6000109.5L108 M117 Y131 I136 W151 L184L108-I115 HydrophobicContact CD1-CG2 3.97Å; L108-I115 HydrophobicContact CD2-CG2 3.71Å; L108-I115 HydrophobicContact CG-CG2 3.61Å; I115-M117 HydrophobicContact CG2-CG 4.03Å; I115-Y131 HydrophobicContact CB-CD2 4.38Å; I115-Y131 HydrophobicContact CG2-CD2 4.49Å; I115-Y131 PolarHBondContact N-O 3.2Å; I115-Y131 PolarHBondContact O-N 3.31Å; I115-I136 HydrophobicContact CD1-CD1 3.75Å; I115-I136 HydrophobicContact CG1-CD1 3.86Å; I115-W151 HydrophobicContact CD1-CD2 3.8Å; I115-W151 HydrophobicContact CD1-CE3 4.28Å; I115-W151 HydrophobicContact CD1-CG 3.97Å; I115-W151 HydrophobicContact CD1-CZ2 4.42Å; I115-L184 HydrophobicContact CD1-CD1 4.26Å; I115-L184 HydrophobicContact CD1-CD2 3.78Å; I115-L184 HydrophobicContact CG1-CD1 3.87Å; I115-L184 HydrophobicContact CG1-CD2 4.31Å
116R93.5Very high84.4Confident112 Ų11271 Ų7142%0.42334%0.337SS..EExtended strand (participates in β ladder)trans-101.5127.1171.8-172.4-176.6-58.6-77.5-3.5109.8L108 T109 V118 L130L108-R116 CarbonylContact C-O 3.33Å; L108-R116 WeakPolarHBondContact CA-O 3.36Å; T109-R116 PolarHBondContact N-O 3.03Å; T109-R116 PolarHBondContact O-N 3.35Å; R116-V118 HydrophobicContact CG-CG2 3.99Å; R116-L130 HydrophobicContact CB-CD1 4.21Å
117M93Very high83.4Confident3 Ų375.6 Ų75.62%0.01537%0.367CS..EExtended strand (participates in β ladder)trans-118111.7-178.8-73.8-107.150.900108.9V69 M106 K107 L108 I115 G128 H129 Y131 W151 V169V69-M117 HydrophobicContact CG2-CE 3.86Å; M106-M117 HydrophobicContact CB-CE 3.28Å; M106-M117 HydrophobicContact CG-CE 4.18Å; M106-M117 HydrophobicContact SD-CB 4.43Å; M106-M117 HydrophobicContact SD-CE 3.84Å; M106-M117 HydrophobicContact SD-SD 4.27Å; K107-M117 WeakPolarHBondContact O-CA 3.35Å; L108-M117 HydrophobicContact CB-CE 3.62Å; L108-M117 HydrophobicContact CB-SD 4.25Å; L108-M117 HydrophobicContact CD1-CE 4.25Å; L108-M117 HydrophobicContact CD1-SD 3.81Å; L108-M117 HydrophobicContact CG-CE 4.08Å; L108-M117 HydrophobicContact CG-CG 4.41Å; L108-M117 HydrophobicContact CG-SD 4.05Å; I115-M117 HydrophobicContact CG2-CG 4.03Å; M117-G128 CarbonylContact O-C 3.55Å; M117-G128 WeakPolarHBondContact O-CA 3.45Å; M117-H129 HydrophobicContact CB-CB 4.25Å; M117-H129 PolarHBondContact N-O 3.36Å; M117-H129 PolarHBondContact O-N 2.79Å; M117-Y131 HydrophobicContact CG-CD2 4.38Å; M117-Y131 HydrophobicContact CG-CE2 4.09Å; M117-W151 HydrophobicContact SD-CH2 4.09Å; M117-V169 HydrophobicContact SD-CG1 4.37Å
118V92.2Very high82.8Confident54 Ų5473.1 Ų73.133%0.32737%0.368SS..EExtended strand (participates in β ladder)trans-117142.9-179.5-173.20000109M106 K107 R116M106-V118 CarbonylContact C-O 3.45Å; M106-V118 VanDerWaalsContact CA-O 3.26Å; M106-V118 WeakPolarHBondContact CA-O 3.45Å; M106-V118 WeakPolarHBondContact CB-O 3.22Å; K107-V118 PolarHBondContact N-O 3.16Å; K107-V118 PolarHBondContact O-N 3.09Å; R116-V118 HydrophobicContact CG-CG2 3.99Å
119H90.9Very high82.6Confident30 Ų3077.5 Ų77.514%0.13939%0.389CS..EExtended strand (participates in β ladder)trans-63.1142.3173.4-74.9-90.4000110.4D121 A124H119-D121 PolarHBondContact O-N 3.47Å; H119-A124 HydrophobicContact CB-CB 4.12Å
120V86.5Confident82.5Confident60 Ų6079.9 Ų79.936%0.36440%0.4SS..SBendtrans-66.2-34.3175.3174.50000110.6T68 K105 K107T68-V120 HydrophobicContact CG2-CG2 4.11Å; K105-V120 HydrophobicContact CB-CB 4.44Å; K105-V120 HydrophobicContact CB-CG2 4.07Å; K105-V120 PolarHBondContact O-N 3.16Å; K107-V120 HydrophobicContact CG-CG2 3.87Å
121D82.2Confident82.5Confident94 Ų9480.6 Ų80.650%0.50340%0.403SS..SBendtrans-96.4110177.3-161.5-10.1000109.6H119 K123 A124H119-D121 PolarHBondContact O-N 3.47Å; D121-K123 PolarHBondContact O-N 2.86Å; D121-K123 VanDerWaalsContact O-N 3.16Å; D121-K123 WeakPolarHBondContact OD1-CB 3.33Å; D121-K123 WeakPolarHBondContact OD1-CG 3.44Å; D121-K123 PolarHBondContact OD1-N 2.9Å; D121-A124 WeakPolarHBondContact O-CB 3.43Å; D121-A124 PolarHBondContact O-N 3.1Å; D121-A124 VanDerWaalsContact O-N 3.16Å
122D65.4Low82.6Confident154 Ų15483.1 Ų83.182%0.82442%0.416SS*.THydrogen-bonded Turntrans-67.7-10.1-178.1-156.422.9000112.3A124D122-A124 PolarHBondContact O-N 3.43Å
123K62.8Low82.8Confident184 Ų18480.3 Ų80.380%0.839%0.394SS*.THydrogen-bonded Turntrans-72.8-16.6173.7-58.8-178.2-166.6-171.60112.8D121 R125D121-K123 PolarHBondContact O-N 2.86Å; D121-K123 VanDerWaalsContact O-N 3.16Å; D121-K123 WeakPolarHBondContact OD1-CB 3.33Å; D121-K123 WeakPolarHBondContact OD1-CG 3.44Å; D121-K123 PolarHBondContact OD1-N 2.9Å; K123-R125 PolarHBondContact O-N 3.28Å; K123-R125 VanDerWaalsContact O-N 3.14Å
124A61.8Low82.8Confident36 Ų3681.3 Ų81.330%0.29840%0.399SS..SBendtrans-73.5105.7173.400000108.8H119 D121 D122 R126H119-A124 HydrophobicContact CB-CB 4.12Å; D121-A124 WeakPolarHBondContact O-CB 3.43Å; D121-A124 PolarHBondContact O-N 3.1Å; D121-A124 VanDerWaalsContact O-N 3.16Å; D122-A124 PolarHBondContact O-N 3.43Å; A124-R126 PolarHBondContact O-N 2.79Å
125R55.6Low82.8Confident251 Ų25184.1 Ų84.195%0.94741%0.409SS*.  trans-58.312.1178-164.5176.9165.5-161.7-3.1115.1K123K123-R125 PolarHBondContact O-N 3.28Å; K123-R125 VanDerWaalsContact O-N 3.14Å
126R66.8Low82.7Confident178 Ų17884.4 Ų84.467%0.67241%0.411SS*.SBendtrans-92.9124.1179.4-68.7-163.9177.489.51.4109.9A124A124-R126 PolarHBondContact O-N 2.79Å
127P72.4Confident82.6Confident107 Ų10779.5 Ų79.570%0.69539%0.393SS*.PPolyproline II helixtrans-60.6142.8174.826.1-32.9000109.8
128G80.6Confident82.6Confident41 Ų4179.7 Ų79.742%0.42339%0.394SS..PPolyproline II helixtrans-57.9144.7175.900000111.8M117M117-G128 CarbonylContact O-C 3.55Å; M117-G128 WeakPolarHBondContact O-CA 3.45Å
129H89.9Confident82.6Confident92 Ų9277.1 Ų77.143%0.42638%0.378SS..EExtended strand (participates in β ladder)trans-85.7134177.8-61.1-55.7000110.5M117 Y131M117-H129 HydrophobicContact CB-CB 4.25Å; M117-H129 PolarHBondContact N-O 3.36Å; M117-H129 PolarHBondContact O-N 2.79Å; H129-Y131 HydrophobicContact CB-CE2 4.07Å
130L93.1Very high82.8Confident70 Ų7075.9 Ų75.937%0.36637%0.373SS..EExtended strand (participates in β ladder)trans-113.6120.2173.9-176.866.1000109.4R116R116-L130 HydrophobicContact CB-CD1 4.21Å
131Y93.8Very high83.2Confident19 Ų1973.2 Ų73.28%0.07536%0.357CS..EExtended strand (participates in β ladder)trans-102.1110.8172-60.8-82.4000108.5G114 I115 M117 H129 W151 Y153 H167G114-Y131 CarbonylContact C-O 3.58Å; G114-Y131 VanDerWaalsContact CA-O 3.31Å; G114-Y131 WeakPolarHBondContact CA-O 3.45Å; I115-Y131 HydrophobicContact CB-CD2 4.38Å; I115-Y131 HydrophobicContact CG2-CD2 4.49Å; I115-Y131 PolarHBondContact N-O 3.2Å; I115-Y131 PolarHBondContact O-N 3.31Å; M117-Y131 HydrophobicContact CG-CD2 4.38Å; M117-Y131 HydrophobicContact CG-CE2 4.09Å; H129-Y131 HydrophobicContact CB-CE2 4.07Å; Y131-W151 HydrophobicContact CD2-CZ2 4.02Å; Y131-W151 AromaticContact CE2-CZ2 3.84Å; Y131-W151 HydrophobicContact CE2-CZ2 3.84Å; Y131-W151 AromaticContact CG-NE1 3.99Å; Y131-Y153 AromaticContact CD1-CD1 3.96Å; Y131-Y153 HydrophobicContact CD1-CD1 3.96Å; Y131-Y153 AromaticContact CD1-CD2 3.61Å; Y131-Y153 HydrophobicContact CD1-CD2 3.61Å; Y131-Y153 HydrophobicContact CD1-CE1 4.16Å; Y131-Y153 AromaticContact CD1-CE2 3.82Å; Y131-Y153 HydrophobicContact CD1-CE2 3.82Å; Y131-Y153 AromaticContact CD1-CG 3.65Å; Y131-Y153 HydrophobicContact CD1-CG 3.65Å; Y131-Y153 HydrophobicContact CE1-CD1 4.38Å; Y131-Y153 HydrophobicContact CE1-CG 4.3Å; Y131-Y153 HydrophobicContact CG-CD2 4.22Å; Y131-Y153 HydrophobicContact CG-CE2 4.3Å; Y131-H167 AromaticContact CE1-CE1 3.72Å; Y131-H167 AromaticContact CE1-NE2 3.56Å; Y131-H167 AromaticContact CZ-CE1 3.83Å; Y131-H167 PolarHBondContact OH-CE1 2.72Å; Y131-H167 VanDerWaalsContact OH-CE1 3.27Å; Y131-H167 PolarHBondContact OH-ND1 3.2Å
132L92.8Very high83.6Confident60 Ų6069 Ų6931%0.31434%0.335SS..EExtended strand (participates in β ladder)trans-69.8138.1-177.3-70.882.9000111Q113 H134 R135 I136Q113-L132 WeakPolarHBondContact O-CA 3.44Å; L132-H134 VanDerWaalsContact C-N 3.32Å; L132-H134 WeakPolarHBondContact CD2-CE1 3.35Å; L132-H134 PolarHBondContact O-N 3.44Å; L132-R135 PolarHBondContact O-N 3.04Å; L132-I136 PolarHBondContact O-N 3.45Å
133L91.1Very high84.7Confident18 Ų1866.5 Ų66.59%0.09433%0.327CS..G310 helixtrans-58.9-41.4-173.7-16456.5000112.7S112 Q113 R135 I136 L184 T187 A191S112-L133 WeakPolarHBondContact O-CD2 3.41Å; Q113-L133 PolarHBondContact O-N 3.19Å; L133-R135 PolarHBondContact O-N 3.4Å; L133-R135 VanDerWaalsContact O-N 3.15Å; L133-I136 HydrophobicContact CD1-CD1 4.46Å; L133-I136 PolarHBondContact O-N 2.71Å; L133-I136 VanDerWaalsContact O-N 3.1Å; L133-L184 HydrophobicContact CD1-CD1 3.77Å; L133-T187 HydrophobicContact CD2-CG2 4.23Å; L133-A191 HydrophobicContact CD2-CB 3.75Å
134H88.5Confident86Confident144 Ų14464.8 Ų64.867%0.66732%0.315SS*.G310 helixtrans-67.7-12179.668.9-98000114.2L132L132-H134 VanDerWaalsContact C-N 3.32Å; L132-H134 WeakPolarHBondContact CD2-CE1 3.35Å; L132-H134 PolarHBondContact O-N 3.44Å
135R91.2Very high87.4Confident59 Ų5965.2 Ų65.222%0.22331%0.312CS..G310 helixtrans-100.9-8.4175.9-63.8-175.6-179.2-148.50112.7L132 L133 Y153 R154 E156L132-R135 PolarHBondContact O-N 3.04Å; L133-R135 PolarHBondContact O-N 3.4Å; L133-R135 VanDerWaalsContact O-N 3.15Å; R135-Y153 HydrophobicContact CB-CD2 3.97Å; R135-Y153 HydrophobicContact CB-CE2 3.41Å; R135-Y153 VanDerWaalsContact CB-CE2 3.41Å; R135-Y153 VanDerWaalsContact CD-OH 3.29Å; R135-Y153 WeakPolarHBondContact CD-OH 3.47Å; R135-Y153 HydrophobicContact CG-CE2 4.43Å; R135-R154 HydrophobicContact CB-CB 4.34Å; R135-R154 WeakPolarHBondContact O-CB 3.47Å; R135-R154 PolarHBondContact O-N 2.96Å; R135-E156 VanDerWaalsContact CZ-CD 3.42Å; R135-E156 IonicContact CZ-OE1 3.91Å; R135-E156 VanDerWaalsContact CZ-OE1 3.27Å; R135-E156 IonicContact CZ-OE2 3.91Å; R135-E156 IonicContact NH1-OE1 3.22Å; R135-E156 PolarHBondContact NH1-OE1 3.17Å; R135-E156 IonicContact NH1-OE2 2.68Å; R135-E156 PolarHBondContact NH1-OE2 2.91Å; R135-E156 IonicContact NH2-OE1 3.37Å; R135-E156 PolarHBondContact NH2-OE1 2.85Å; R135-E156 IonicContact NH2-OE2 3.04Å; R135-E156 PolarHBondContact NH2-OE2 3.32Å
136I92.5Very high89Confident7 Ų756.2 Ų56.24%0.03629%0.286CS..EExtended strand (participates in β ladder)trans-84.5121.4175-58.1169.4000107.8I115 L132 L133 W151 I152 Y153 L184 M294I115-I136 HydrophobicContact CD1-CD1 3.75Å; I115-I136 HydrophobicContact CG1-CD1 3.86Å; L132-I136 PolarHBondContact O-N 3.45Å; L133-I136 HydrophobicContact CD1-CD1 4.46Å; L133-I136 PolarHBondContact O-N 2.71Å; L133-I136 VanDerWaalsContact O-N 3.1Å; I136-W151 HydrophobicContact CG2-CB 4.24Å; I136-I152 WeakPolarHBondContact CA-O 3.2Å; I136-Y153 HydrophobicContact CG1-CD2 3.9Å; I136-Y153 HydrophobicContact CG1-CE2 4.46Å; I136-L184 HydrophobicContact CD1-CD1 4.45Å; I136-M294 HydrophobicContact CB-SD 4.07Å; I136-M294 HydrophobicContact CG2-CG 4.41Å; I136-M294 HydrophobicContact CG2-SD 3.49Å; I136-M294 WeakPolarHBondContact CG2-SD 3.49Å
137T91.5Very high90.3Very high8 Ų852.8 Ų52.85%0.04928%0.276CS..EExtended strand (participates in β ladder)trans-100.3-32.6-173.147.10000112.5S80 I152 S295S80-T137 WeakPolarHBondContact O-CB 3.32Å; S80-T137 PolarHBondContact O-OG1 3.45Å; T137-I152 PolarHBondContact N-O 2.85Å; T137-I152 WeakPolarHBondContact OG1-CG2 3.24Å; T137-I152 PolarHBondContact OG1-O 3.15Å; T137-S295 PolarHBondContact O-N 2.81Å; T137-S295 PolarHBondContact O-OG 3.4Å
138Y92.4Very high91.4Very high7 Ų747.8 Ų47.83%0.02724%0.244CC..EExtended strand (participates in β ladder)trans-148.4144.3-175.9-177.5-107.5000111.5S80 G82 C85 T86 V140 W151 I152 S295 G297S80-Y138 WeakPolarHBondContact O-CB 3.46Å; G82-Y138 PolarHBondContact O-OH 2.89Å; C85-Y138 WeakPolarHBondContact SG-CD1 3.47Å; C85-Y138 WeakPolarHBondContact SG-CE1 3.28Å; T86-Y138 HydrophobicContact CG2-CD1 3.57Å; T86-Y138 HydrophobicContact CG2-CE1 3.55Å; Y138-V140 HydrophobicContact CD1-CB 4.45Å; Y138-V140 HydrophobicContact CD1-CG1 4.35Å; Y138-V140 HydrophobicContact CE1-CB 3.68Å; Y138-V140 HydrophobicContact CE1-CG1 3.71Å; Y138-V140 HydrophobicContact CE1-CG2 4.46Å; Y138-W151 CarbonylContact O-C 3.59Å; Y138-W151 VanDerWaalsContact O-CA 3.24Å; Y138-W151 WeakPolarHBondContact O-CA 3.35Å; Y138-W151 WeakPolarHBondContact O-CB 3.29Å; Y138-I152 HydrophobicContact CD1-CD1 4Å; Y138-I152 HydrophobicContact CD1-CG1 4.29Å; Y138-I152 HydrophobicContact CG-CD1 4.39Å; Y138-I152 PolarHBondContact O-N 3.48Å; Y138-S295 VanDerWaalsContact CA-O 3.29Å; Y138-S295 WeakPolarHBondContact CA-O 3.5Å; Y138-S295 WeakPolarHBondContact CD2-O 3.24Å; Y138-S295 WeakPolarHBondContact CD2-OG 3.45Å; Y138-G297 VanDerWaalsContact CE2-CA 3.45Å; Y138-G297 WeakPolarHBondContact OH-CA 3.48Å
139C93.6Very high92.2Very high0 Ų045.9 Ų45.90%022%0.224CC..EExtended strand (participates in β ladder)trans-135.2145.7172.468.90000111F149 W151 L184 M294 S295 I296 G297C139-F149 HydrophobicContact CB-CE2 4.34Å; C139-F149 HydrophobicContact CB-CZ 4.46Å; C139-W151 HydrophobicContact CB-CB 4.5Å; C139-L184 HydrophobicContact CB-CD2 3.83Å; C139-M294 HydrophobicContact CB-CE 4.48Å; C139-M294 HydrophobicContact CB-SD 4.39Å; C139-S295 PolarHBondContact N-O 3.22Å; C139-S295 VanDerWaalsContact N-O 3.08Å; C139-I296 WeakPolarHBondContact O-CA 3.27Å; C139-G297 PolarHBondContact O-N 3.14Å
140V94.4Very high92.4Very high5 Ų541.5 Ų41.53%0.0320%0.203CC..EExtended strand (participates in β ladder)trans-156.1142.9-17866.60000111.6T86 Y138 F149 A150 N298T86-V140 HydrophobicContact CG2-CG1 3.9Å; T86-V140 WeakPolarHBondContact OG1-CG1 3.4Å; Y138-V140 HydrophobicContact CD1-CB 4.45Å; Y138-V140 HydrophobicContact CD1-CG1 4.35Å; Y138-V140 HydrophobicContact CE1-CB 3.68Å; Y138-V140 HydrophobicContact CE1-CG1 3.71Å; Y138-V140 HydrophobicContact CE1-CG2 4.46Å; V140-F149 WeakPolarHBondContact O-CD2 3.4Å; V140-A150 HydrophobicContact CG1-CB 4.07Å; V140-A150 PolarHBondContact N-O 3.4Å; V140-A150 PolarHBondContact O-N 3.22Å; V140-N298 WeakPolarHBondContact CA-OD1 3.5Å; V140-N298 WeakPolarHBondContact CG2-OD1 3.44Å
141A94.7Very high92.6Very high4 Ų438.1 Ų38.13%0.03319%0.186CC..EExtended strand (participates in β ladder)trans-97.1115159.100000107.7P143 A177 K178 A181 N298A141-P143 WeakPolarHBondContact O-CD 3.36Å; A141-A177 HydrophobicContact CB-CB 4.32Å; A141-K178 HydrophobicContact CB-CG 4.1Å; A141-A181 HydrophobicContact CB-CB 4.3Å; A141-N298 PolarHBondContact N-OD1 2.8Å; A141-N298 PolarHBondContact O-ND2 2.89Å
142D91.8Very high92.6Very high5 Ų537.2 Ų37.23%0.02718%0.182CC..  trans-62.5122.2-170.9-174.2-14.5000110.7R144 L145 P146 I148D142-R144 VanDerWaalsContact C-N 3.28Å; D142-R144 PolarHBondContact O-N 3.22Å; D142-R144 WeakPolarHBondContact OD1-CB 3.46Å; D142-R144 PolarHBondContact OD1-N 2.65Å; D142-R144 IonicContact OD1-NE 2.94Å; D142-L145 HydrophobicContact CB-CB 4.31Å; D142-L145 CarbonylContact O-C 3.54Å; D142-L145 PolarHBondContact O-N 2.68Å; D142-P146 VanDerWaalsContact O-CA 3.29Å; D142-P146 WeakPolarHBondContact O-CA 3.5Å; D142-I148 HydrophobicContact CB-CB 4.46Å; D142-I148 PolarHBondContact N-O 2.95Å
143P88.1Confident92.7Very high102 Ų10235 Ų3566%0.66217%0.17SC*.SBendtrans-62.6-31.8176.8-22.633.7000113.8A141A141-P143 WeakPolarHBondContact O-CD 3.36Å
144R89.1Confident92.7Very high147 Ų14738 Ų3856%0.55518%0.18SC*.SBendtrans-76.9-38.9179.5-71.3175.9-78.9-139.2-42.9111.8D87 D142 P146D87-R144 VanDerWaalsContact CB-NH2 3.34Å; D87-R144 IonicContact OD1-NH2 2.68Å; D87-R144 PolarHBondContact OD1-NH2 2.7Å; D87-R144 IonicContact OD2-CZ 3.6Å; D87-R144 IonicContact OD2-NH2 3.76Å; D87-R144 PolarHBondContact OD2-NH2 3.19Å; D142-R144 VanDerWaalsContact C-N 3.28Å; D142-R144 PolarHBondContact O-N 3.22Å; D142-R144 WeakPolarHBondContact OD1-CB 3.46Å; D142-R144 PolarHBondContact OD1-N 2.65Å; D142-R144 IonicContact OD1-NE 2.94Å; R144-P146 WeakPolarHBondContact O-CD 3.47Å
145L91.1Very high92.8Very high46 Ų4633.4 Ų33.424%0.24116%0.158CC..SBendtrans-11979-179.1-63.4173.6000108.4V90 W94 D142 K147 I148V90-L145 HydrophobicContact CG1-CD1 4.38Å; W94-L145 HydrophobicContact CB-CD1 4.34Å; W94-L145 HydrophobicContact CD2-CD1 4.05Å; W94-L145 HydrophobicContact CG-CD1 3.86Å; D142-L145 HydrophobicContact CB-CB 4.31Å; D142-L145 CarbonylContact O-C 3.54Å; D142-L145 PolarHBondContact O-N 2.68Å; L145-K147 PolarHBondContact O-N 2.77Å; L145-I148 HydrophobicContact CB-CB 4.22Å; L145-I148 HydrophobicContact CB-CD1 3.66Å; L145-I148 HydrophobicContact CB-CG1 3.89Å; L145-I148 HydrophobicContact CD1-CD1 3.49Å; L145-I148 VanDerWaalsContact CD1-CD1 3.49Å; L145-I148 HydrophobicContact CG-CD1 4.17Å; L145-I148 WeakPolarHBondContact O-CB 3.34Å; L145-I148 PolarHBondContact O-N 3.06Å
146P90.6Very high92.7Very high61 Ų6136.3 Ų36.340%0.39618%0.175SC..THydrogen-bonded Turntrans-66.6-12.3-164.628.7-38.6000114.1D142 R144 P174D142-P146 VanDerWaalsContact O-CA 3.29Å; D142-P146 WeakPolarHBondContact O-CA 3.5Å; R144-P146 WeakPolarHBondContact O-CD 3.47Å; P146-P174 HydrophobicContact CB-CB 3.74Å; P146-P174 HydrophobicContact CG-CB 4.38Å; P146-P174 WeakPolarHBondContact O-CA 3.26Å; P146-P174 WeakPolarHBondContact O-CB 3.47Å
147K94.1Very high92.4Very high107 Ų10740.5 Ų40.547%0.46520%0.195SC..THydrogen-bonded Turntrans-87.1-9.4174.4-66.3-175.3-176.8179.40113.4L145 L170 V171L145-K147 PolarHBondContact O-N 2.77Å; K147-L170 HydrophobicContact CB-CD1 3.62Å; K147-V171 WeakPolarHBondContact CB-O 3.44Å; K147-V171 PolarHBondContact O-N 2.9Å
148I95.3Very high91.9Very high2 Ų248.9 Ų48.91%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-92.7128.6-179.1-62.2-175.6000109.6L72 V90 W94 D142 L145 A168 V169 L170L72-I148 HydrophobicContact CD1-CD1 4.23Å; V90-I148 HydrophobicContact CG1-CD1 4.09Å; V90-I148 HydrophobicContact CG1-CG2 4.11Å; W94-I148 HydrophobicContact CD2-CD1 4.14Å; W94-I148 HydrophobicContact CE3-CD1 3.62Å; W94-I148 HydrophobicContact CZ3-CD1 4.03Å; D142-I148 HydrophobicContact CB-CB 4.46Å; D142-I148 PolarHBondContact N-O 2.95Å; L145-I148 HydrophobicContact CB-CB 4.22Å; L145-I148 HydrophobicContact CB-CD1 3.66Å; L145-I148 HydrophobicContact CB-CG1 3.89Å; L145-I148 HydrophobicContact CD1-CD1 3.49Å; L145-I148 VanDerWaalsContact CD1-CD1 3.49Å; L145-I148 HydrophobicContact CG-CD1 4.17Å; L145-I148 WeakPolarHBondContact O-CB 3.34Å; L145-I148 PolarHBondContact O-N 3.06Å; I148-A168 HydrophobicContact CG2-CB 4.12Å; I148-V169 WeakPolarHBondContact CA-O 3.18Å; I148-L170 HydrophobicContact CG1-CD1 4.14Å
149F96.1Very high91.6Very high0 Ų057.3 Ų57.30%027%0.27CS..EExtended strand (participates in β ladder)trans-109.3129.3166.5173.7-114.2000108.5C139 V140 W151 V169 V171 A177 M180 A181 L184C139-F149 HydrophobicContact CB-CE2 4.34Å; C139-F149 HydrophobicContact CB-CZ 4.46Å; V140-F149 WeakPolarHBondContact O-CD2 3.4Å; F149-W151 HydrophobicContact CD1-CE3 4.04Å; F149-W151 HydrophobicContact CD1-CZ3 4.19Å; F149-W151 AromaticContact CE1-CE3 3.77Å; F149-W151 HydrophobicContact CE1-CE3 3.77Å; F149-W151 HydrophobicContact CE1-CZ3 4.21Å; F149-V169 HydrophobicContact CB-CG2 3.83Å; F149-V169 HydrophobicContact CD1-CG2 3.79Å; F149-V169 HydrophobicContact CG-CG2 4.31Å; F149-V169 PolarHBondContact N-O 3.09Å; F149-V169 WeakPolarHBondContact O-CG2 3.41Å; F149-V169 PolarHBondContact O-N 2.78Å; F149-V171 HydrophobicContact CB-CG2 4.39Å; F149-A177 HydrophobicContact CB-CB 4.16Å; F149-M180 HydrophobicContact CD1-CB 4.37Å; F149-M180 HydrophobicContact CD1-CE 3.83Å; F149-M180 HydrophobicContact CD2-CB 4.4Å; F149-M180 HydrophobicContact CE1-CB 4.45Å; F149-M180 HydrophobicContact CE1-CE 4.27Å; F149-M180 HydrophobicContact CG-CB 4.34Å; F149-M180 HydrophobicContact CG-CE 4.5Å; F149-A181 HydrophobicContact CD2-CB 3.97Å; F149-A181 VanDerWaalsContact CE2-CA 3.45Å; F149-A181 HydrophobicContact CE2-CB 3.64Å; F149-L184 HydrophobicContact CZ-CD2 3.92Å
150A95.8Very high90.8Very high0 Ų067.3 Ų67.30%031%0.314CS..EExtended strand (participates in β ladder)trans-130.9148.1-177.600000111.8V90 V140 H167 A168V90-A150 HydrophobicContact CG2-CB 3.76Å; V140-A150 HydrophobicContact CG1-CB 4.07Å; V140-A150 PolarHBondContact N-O 3.4Å; V140-A150 PolarHBondContact O-N 3.22Å; A150-H167 WeakPolarHBondContact CA-O 3.27Å; A150-H167 WeakPolarHBondContact CB-O 2.93Å; A150-A168 HydrophobicContact CB-CB 4.44Å
151W95.5Very high90.3Very high0 Ų069.5 Ų69.50%033%0.333CS..EExtended strand (participates in β ladder)trans-141.8152.8173.769.796000111.1L108 I115 M117 Y131 I136 Y138 C139 F149 C166 H167 V169L108-W151 HydrophobicContact CD1-CH2 4.23Å; L108-W151 HydrophobicContact CD1-CZ3 4.16Å; I115-W151 HydrophobicContact CD1-CD2 3.8Å; I115-W151 HydrophobicContact CD1-CE3 4.28Å; I115-W151 HydrophobicContact CD1-CG 3.97Å; I115-W151 HydrophobicContact CD1-CZ2 4.42Å; M117-W151 HydrophobicContact SD-CH2 4.09Å; Y131-W151 HydrophobicContact CD2-CZ2 4.02Å; Y131-W151 AromaticContact CE2-CZ2 3.84Å; Y131-W151 HydrophobicContact CE2-CZ2 3.84Å; Y131-W151 AromaticContact CG-NE1 3.99Å; I136-W151 HydrophobicContact CG2-CB 4.24Å; Y138-W151 CarbonylContact O-C 3.59Å; Y138-W151 VanDerWaalsContact O-CA 3.24Å; Y138-W151 WeakPolarHBondContact O-CA 3.35Å; Y138-W151 WeakPolarHBondContact O-CB 3.29Å; C139-W151 HydrophobicContact CB-CB 4.5Å; F149-W151 HydrophobicContact CD1-CE3 4.04Å; F149-W151 HydrophobicContact CD1-CZ3 4.19Å; F149-W151 AromaticContact CE1-CE3 3.77Å; F149-W151 HydrophobicContact CE1-CE3 3.77Å; F149-W151 HydrophobicContact CE1-CZ3 4.21Å; W151-C166 WeakPolarHBondContact O-CA 3.48Å; W151-H167 HydrophobicContact CD2-CB 3.81Å; W151-H167 AromaticContact CE2-CG 3.93Å; W151-H167 HydrophobicContact CE3-CB 4.18Å; W151-H167 HydrophobicContact CG-CB 4.45Å; W151-H167 HydrophobicContact CH2-CB 3.82Å; W151-H167 HydrophobicContact CZ2-CB 3.4Å; W151-H167 VanDerWaalsContact CZ2-CB 3.4Å; W151-H167 AromaticContact CZ2-CG 3.92Å; W151-H167 HydrophobicContact CZ3-CB 4.18Å; W151-H167 PolarHBondContact N-O 3.38Å; W151-H167 AromaticContact NE1-CD2 3.74Å; W151-H167 AromaticContact NE1-CG 3.94Å; W151-H167 PolarHBondContact O-N 2.96Å; W151-V169 HydrophobicContact CH2-CG1 3.78Å; W151-V169 HydrophobicContact CZ3-CB 4.47Å; W151-V169 HydrophobicContact CZ3-CG1 3.7Å; W151-V169 HydrophobicContact CZ3-CG2 4.06Å
152I94.9Very high89.9Confident0 Ų072.8 Ų72.80%035%0.352CS..EExtended strand (participates in β ladder)trans-104121176.2-58.4178000108.9T77 C85 T86 I136 T137 Y138 L164 R165T77-I152 HydrophobicContact CG2-CD1 4.06Å; T77-I152 HydrophobicContact CG2-CG1 4.31Å; T77-I152 HydrophobicContact CG2-CG2 3.92Å; C85-I152 HydrophobicContact CB-CD1 4.42Å; T86-I152 HydrophobicContact CG2-CD1 3.79Å; T86-I152 HydrophobicContact CG2-CG1 3.82Å; I136-I152 WeakPolarHBondContact CA-O 3.2Å; T137-I152 PolarHBondContact N-O 2.85Å; T137-I152 WeakPolarHBondContact OG1-CG2 3.24Å; T137-I152 PolarHBondContact OG1-O 3.15Å; Y138-I152 HydrophobicContact CD1-CD1 4Å; Y138-I152 HydrophobicContact CD1-CG1 4.29Å; Y138-I152 HydrophobicContact CG-CD1 4.39Å; Y138-I152 PolarHBondContact O-N 3.48Å; I152-L164 HydrophobicContact CG2-CB 4.08Å; I152-L164 HydrophobicContact CG2-CD2 4.26Å; I152-R165 WeakPolarHBondContact CA-O 3.33Å
153Y93.8Very high89.8Confident14 Ų1474.6 Ų74.66%0.05536%0.361CS..EExtended strand (participates in β ladder)trans-108.7136.5177.5-170.2-101000111.4Y131 R135 I136 H155 R165Y131-Y153 AromaticContact CD1-CD1 3.96Å; Y131-Y153 HydrophobicContact CD1-CD1 3.96Å; Y131-Y153 AromaticContact CD1-CD2 3.61Å; Y131-Y153 HydrophobicContact CD1-CD2 3.61Å; Y131-Y153 HydrophobicContact CD1-CE1 4.16Å; Y131-Y153 AromaticContact CD1-CE2 3.82Å; Y131-Y153 HydrophobicContact CD1-CE2 3.82Å; Y131-Y153 AromaticContact CD1-CG 3.65Å; Y131-Y153 HydrophobicContact CD1-CG 3.65Å; Y131-Y153 HydrophobicContact CE1-CD1 4.38Å; Y131-Y153 HydrophobicContact CE1-CG 4.3Å; Y131-Y153 HydrophobicContact CG-CD2 4.22Å; Y131-Y153 HydrophobicContact CG-CE2 4.3Å; R135-Y153 HydrophobicContact CB-CD2 3.97Å; R135-Y153 HydrophobicContact CB-CE2 3.41Å; R135-Y153 VanDerWaalsContact CB-CE2 3.41Å; R135-Y153 VanDerWaalsContact CD-OH 3.29Å; R135-Y153 WeakPolarHBondContact CD-OH 3.47Å; R135-Y153 HydrophobicContact CG-CE2 4.43Å; I136-Y153 HydrophobicContact CG1-CD2 3.9Å; I136-Y153 HydrophobicContact CG1-CE2 4.46Å; Y153-H155 AromaticContact CD1-CD2 3.58Å; Y153-H155 AromaticContact CD1-CE1 3.54Å; Y153-H155 AromaticContact CD1-CG 3.87Å; Y153-H155 AromaticContact CD1-ND1 3.84Å; Y153-H155 AromaticContact CD1-NE2 3.41Å; Y153-H155 WeakPolarHBondContact CD1-NE2 3.05Å; Y153-H155 AromaticContact CE1-CE1 3.67Å; Y153-H155 AromaticContact CE1-ND1 3.76Å; Y153-R165 PolarHBondContact N-O 3.06Å; Y153-R165 PolarHBondContact O-N 3.09Å
154R91.9Very high90Very high81 Ų8170.8 Ų70.831%0.30634%0.335SS..EExtended strand (participates in β ladder)trans-85.5107.4174.6-170.4-179.1-68.3-99.9-1.3110.1R135 V162 L164R135-R154 HydrophobicContact CB-CB 4.34Å; R135-R154 WeakPolarHBondContact O-CB 3.47Å; R135-R154 PolarHBondContact O-N 2.96Å; R154-V162 HydrophobicContact CG-CG1 3.21Å; R154-L164 HydrophobicContact CB-CD2 4.39Å; R154-L164 HydrophobicContact CG-CD2 4.43Å
155H90.4Very high90.3Very high46 Ų4667.2 Ų67.221%0.21332%0.321CS..EExtended strand (participates in β ladder)trans-91.3131.2170.5-75-80.3000110.7Y153 M163 H167Y153-H155 AromaticContact CD1-CD2 3.58Å; Y153-H155 AromaticContact CD1-CE1 3.54Å; Y153-H155 AromaticContact CD1-CG 3.87Å; Y153-H155 AromaticContact CD1-ND1 3.84Å; Y153-H155 AromaticContact CD1-NE2 3.41Å; Y153-H155 WeakPolarHBondContact CD1-NE2 3.05Å; Y153-H155 AromaticContact CE1-CE1 3.67Å; Y153-H155 AromaticContact CE1-ND1 3.76Å; H155-M163 PolarHBondContact N-O 3.48Å; H155-M163 PolarHBondContact O-N 2.86Å; H155-H167 AromaticContact NE2-NE2 3.61Å
156E89.6Confident90.5Very high121 Ų12165 Ų6557%0.56531%0.31SS*.EExtended strand (participates in β ladder)trans-80.5125.4166-71.2161-177.600108.2R135R135-E156 VanDerWaalsContact CZ-CD 3.42Å; R135-E156 IonicContact CZ-OE1 3.91Å; R135-E156 VanDerWaalsContact CZ-OE1 3.27Å; R135-E156 IonicContact CZ-OE2 3.91Å; R135-E156 IonicContact NH1-OE1 3.22Å; R135-E156 PolarHBondContact NH1-OE1 3.17Å; R135-E156 IonicContact NH1-OE2 2.68Å; R135-E156 PolarHBondContact NH1-OE2 2.91Å; R135-E156 IonicContact NH2-OE1 3.37Å; R135-E156 PolarHBondContact NH2-OE1 2.85Å; R135-E156 IonicContact NH2-OE2 3.04Å; R135-E156 PolarHBondContact NH2-OE2 3.32Å
157M86.1Confident90.7Very high95 Ų9562.2 Ų62.247%0.46829%0.291SS..  trans-100.9175.1175-59-65.6-82.200109A161 M163M157-A161 WeakPolarHBondContact CA-O 3.36Å; M157-A161 HydrophobicContact CB-CB 4.21Å; M157-A161 WeakPolarHBondContact CB-O 3.32Å; M157-A161 PolarHBondContact N-O 3.43Å; M157-M163 HydrophobicContact CE-CE 3.85Å; M157-M163 HydrophobicContact CE-SD 4.19Å; M157-M163 HydrophobicContact CG-CB 3.68Å; M157-M163 HydrophobicContact SD-CB 4.17Å; M157-M163 HydrophobicContact SD-CE 3.65Å; M157-M163 HydrophobicContact SD-SD 4.43Å
158K81.8Confident90.8Very high183 Ų18357.2 Ų57.280%0.79627%0.27SS*.G310 helixtrans-58.3151.6172.7-61.6-175.8177.4-175.10110.1A161K158-A161 PolarHBondContact O-N 3.32Å
159H84.2Confident90.8Very high185 Ų18557.1 Ų57.186%0.85627%0.269SS*.G310 helixtrans62.336.4-179.9-53-77.2000115.5A161H159-A161 PolarHBondContact O-N 3.04Å
160K78.1Confident90.8Very high210 Ų21058.8 Ų58.891%0.91328%0.278SS*.G310 helixtrans59.49.5-180-54.7-178.9177.2-176.30114.2
161A83.4Confident90.8Very high51 Ų5159 Ų5942%0.42128%0.279SS..  trans-71.3143.217600000110M157 K158 H159M157-A161 WeakPolarHBondContact CA-O 3.36Å; M157-A161 HydrophobicContact CB-CB 4.21Å; M157-A161 WeakPolarHBondContact CB-O 3.32Å; M157-A161 PolarHBondContact N-O 3.43Å; K158-A161 PolarHBondContact O-N 3.32Å; H159-A161 PolarHBondContact O-N 3.04Å
162V86.3Confident90.6Very high73 Ų7362 Ų6244%0.44230%0.3SS..EExtended strand (participates in β ladder)trans-113.1130.2-1791760000110R154R154-V162 HydrophobicContact CG-CG1 3.21Å
163M90.1Very high90.5Very high43 Ų4367.4 Ų67.421%0.21232%0.324CS..EExtended strand (participates in β ladder)trans-117.9128.7175.5-175.7175.166.200110.5T76 H155 M157T76-M163 HydrophobicContact CG2-CE 4.48Å; T76-M163 HydrophobicContact CG2-CG 4.24Å; T76-M163 HydrophobicContact CG2-SD 3.64Å; H155-M163 PolarHBondContact N-O 3.48Å; H155-M163 PolarHBondContact O-N 2.86Å; M157-M163 HydrophobicContact CE-CE 3.85Å; M157-M163 HydrophobicContact CE-SD 4.19Å; M157-M163 HydrophobicContact CG-CB 3.68Å; M157-M163 HydrophobicContact SD-CB 4.17Å; M157-M163 HydrophobicContact SD-CE 3.65Å; M157-M163 HydrophobicContact SD-SD 4.43Å
164L92.6Very high90.5Very high21 Ų2168.4 Ų68.411%0.1133%0.332CS..EExtended strand (participates in β ladder)trans-89.5129.9175.3-58.1168.2000109.7T77 I152 R154T77-L164 HydrophobicContact CG2-CB 3.72Å; T77-L164 PolarHBondContact N-O 3.4Å; T77-L164 WeakPolarHBondContact O-CB 3.39Å; I152-L164 HydrophobicContact CG2-CB 4.08Å; I152-L164 HydrophobicContact CG2-CD2 4.26Å; R154-L164 HydrophobicContact CB-CD2 4.39Å; R154-L164 HydrophobicContact CG-CD2 4.43Å
165R94.2Very high90.6Very high73 Ų7366.4 Ų66.428%0.27533%0.326SS..EExtended strand (participates in β ladder)trans-127122.6-179.9-172.4172.2-85.6-173.3-2.7109.5N74 A75 I152 Y153N74-R165 HydrophobicContact CB-CG 3.75Å; N74-R165 WeakPolarHBondContact ND2-CD 3.38Å; N74-R165 VanDerWaalsContact ND2-CZ 3.3Å; N74-R165 PolarHBondContact ND2-NE 2.84Å; N74-R165 VanDerWaalsContact ND2-NE 3.17Å; N74-R165 PolarHBondContact ND2-NH1 2.55Å; A75-R165 CarbonylContact O-C 3.54Å; A75-R165 WeakPolarHBondContact O-CA 3.2Å; I152-R165 WeakPolarHBondContact CA-O 3.33Å; Y153-R165 PolarHBondContact N-O 3.06Å; Y153-R165 PolarHBondContact O-N 3.09Å
166C95.1Very high90.7Very high0 Ų066.8 Ų66.80%033%0.327CS..EExtended strand (participates in β ladder)trans-81.4130.4169.4-170.50000108.5N74 A75 A89 W151N74-C166 CarbonylContact C-O 3.17Å; N74-C166 WeakPolarHBondContact CA-O 3.43Å; N74-C166 WeakPolarHBondContact CB-O 3.29Å; A75-C166 PolarHBondContact N-O 3.42Å; A75-C166 PolarHBondContact O-N 2.89Å; A89-C166 HydrophobicContact CB-CB 3.54Å; W151-C166 WeakPolarHBondContact O-CA 3.48Å
167H95.6Very high90.9Very high2 Ų261 Ų611%0.00930%0.3CS..EExtended strand (participates in β ladder)trans-110.4140.5170.5-65.9-85.5000108.3Y71 Y131 A150 W151 H155Y71-H167 HydrophobicContact CE2-CB 4.4Å; Y71-H167 AromaticContact CE2-ND1 3.97Å; Y71-H167 AromaticContact CZ-ND1 3.99Å; Y71-H167 PolarHBondContact OH-ND1 2.89Å; Y71-H167 VanDerWaalsContact OH-ND1 3.1Å; Y131-H167 AromaticContact CE1-CE1 3.72Å; Y131-H167 AromaticContact CE1-NE2 3.56Å; Y131-H167 AromaticContact CZ-CE1 3.83Å; Y131-H167 PolarHBondContact OH-CE1 2.72Å; Y131-H167 VanDerWaalsContact OH-CE1 3.27Å; Y131-H167 PolarHBondContact OH-ND1 3.2Å; A150-H167 WeakPolarHBondContact CA-O 3.27Å; A150-H167 WeakPolarHBondContact CB-O 2.93Å; W151-H167 HydrophobicContact CD2-CB 3.81Å; W151-H167 AromaticContact CE2-CG 3.93Å; W151-H167 HydrophobicContact CE3-CB 4.18Å; W151-H167 HydrophobicContact CG-CB 4.45Å; W151-H167 HydrophobicContact CH2-CB 3.82Å; W151-H167 HydrophobicContact CZ2-CB 3.4Å; W151-H167 VanDerWaalsContact CZ2-CB 3.4Å; W151-H167 AromaticContact CZ2-CG 3.92Å; W151-H167 HydrophobicContact CZ3-CB 4.18Å; W151-H167 PolarHBondContact N-O 3.38Å; W151-H167 AromaticContact NE1-CD2 3.74Å; W151-H167 AromaticContact NE1-CG 3.94Å; W151-H167 PolarHBondContact O-N 2.96Å; H155-H167 AromaticContact NE2-NE2 3.61Å
168A95.9Very high91.3Very high1 Ų159.6 Ų59.61%0.00829%0.291CS..EExtended strand (participates in β ladder)trans-131.7135.3178.500000110.8L72 G73 I93 I148 A150L72-A168 PolarHBondContact N-O 3.37Å; L72-A168 VanDerWaalsContact N-O 3.14Å; G73-A168 PolarHBondContact O-N 3.12Å; I93-A168 HydrophobicContact CD1-CB 3.9Å; I93-A168 HydrophobicContact CG2-CB 4.11Å; I148-A168 HydrophobicContact CG2-CB 4.12Å; A150-A168 HydrophobicContact CB-CB 4.44Å
169V96Very high91.8Very high0 Ų050.9 Ų50.90%025%0.253CS..EExtended strand (participates in β ladder)trans-124.5144.4174.7-61.50000110V69 L70 Y71 L108 M117 I148 F149 W151 V171V69-V169 HydrophobicContact CB-CB 4.1Å; V69-V169 HydrophobicContact CB-CG2 4.36Å; V69-V169 HydrophobicContact CG1-CG2 4.44Å; V69-V169 HydrophobicContact CG2-CB 4.05Å; V69-V169 HydrophobicContact CG2-CG1 4.04Å; V69-V169 HydrophobicContact CG2-CG2 4.46Å; L70-V169 CarbonylContact O-C 3.59Å; L70-V169 WeakPolarHBondContact O-CA 3.1Å; Y71-V169 HydrophobicContact CD2-CG1 3.89Å; L108-V169 HydrophobicContact CD1-CG1 4.34Å; L108-V169 HydrophobicContact CD1-CG2 4.23Å; M117-V169 HydrophobicContact SD-CG1 4.37Å; I148-V169 WeakPolarHBondContact CA-O 3.18Å; F149-V169 HydrophobicContact CB-CG2 3.83Å; F149-V169 HydrophobicContact CD1-CG2 3.79Å; F149-V169 HydrophobicContact CG-CG2 4.31Å; F149-V169 PolarHBondContact N-O 3.09Å; F149-V169 WeakPolarHBondContact O-CG2 3.41Å; F149-V169 PolarHBondContact O-N 2.78Å; W151-V169 HydrophobicContact CH2-CG1 3.78Å; W151-V169 HydrophobicContact CZ3-CB 4.47Å; W151-V169 HydrophobicContact CZ3-CG1 3.7Å; W151-V169 HydrophobicContact CZ3-CG2 4.06Å; V169-V171 HydrophobicContact CG2-CG2 4.48Å
170L95.7Very high92.3Very high35 Ų3542 Ų4218%0.18321%0.213CC..EExtended strand (participates in β ladder)trans-98.8130.5173.8-179.171000109.7L70 L72 W94 K147 I148L70-L170 HydrophobicContact CB-CB 4.2Å; L70-L170 HydrophobicContact CD2-CD2 4.06Å; L70-L170 PolarHBondContact N-O 3.4Å; L70-L170 PolarHBondContact O-N 3.18Å; L72-L170 HydrophobicContact CD1-CB 4.15Å; L72-L170 HydrophobicContact CD2-CB 4.03Å; L72-L170 HydrophobicContact CG-CB 4.12Å; W94-L170 HydrophobicContact CZ3-CD1 4.36Å; K147-L170 HydrophobicContact CB-CD1 3.62Å; I148-L170 HydrophobicContact CG1-CD1 4.14Å
171V95.1Very high93.1Very high4 Ų432 Ų322%0.02417%0.169CC..  trans-112.9153.4-179.4-165.80000109.7V69 K147 F149 V169 K176 A177 M180V69-V171 HydrophobicContact CG1-CG2 4.05Å; K147-V171 WeakPolarHBondContact CB-O 3.44Å; K147-V171 PolarHBondContact O-N 2.9Å; F149-V171 HydrophobicContact CB-CG2 4.39Å; V169-V171 HydrophobicContact CG2-CG2 4.48Å; V171-K176 HydrophobicContact CG1-CB 3.5Å; V171-K176 VanDerWaalsContact CG1-CB 3.5Å; V171-K176 HydrophobicContact CG1-CD 4.01Å; V171-K176 HydrophobicContact CG1-CG 4.41Å; V171-A177 HydrophobicContact CG2-CB 4.23Å; V171-M180 HydrophobicContact CG1-SD 4.46Å; V171-M180 HydrophobicContact CG2-SD 3.91Å
172S92.2Very high93.6Very high64 Ų6429.7 Ų29.745%0.44815%0.149SC..SBendtrans-65.8-38.8-179.250.40000113.7
173K93.6Very high93.9Very high113 Ų11327.4 Ų27.449%0.49113%0.134SC..SBendtrans-120.4138.4-177.3-66.7-172.4179.9-176.70110.8E175 K176 A177K173-E175 VanDerWaalsContact C-N 3.27Å; K173-E175 PolarHBondContact O-N 3.42Å; K173-K176 HydrophobicContact CB-CB 4.43Å; K173-K176 HydrophobicContact CB-CD 4.24Å; K173-K176 HydrophobicContact CB-CG 4.09Å; K173-K176 WeakPolarHBondContact O-CB 3.41Å; K173-K176 PolarHBondContact O-N 3.24Å; K173-A177 PolarHBondContact O-N 3.44Å
174P93.3Very high94Very high35 Ų3525.3 Ų25.323%0.22712%0.124CC..Hα-helixtrans-66.7-29.617828.4-34.8000112.9P146 K176 A177 K178P146-P174 HydrophobicContact CB-CB 3.74Å; P146-P174 HydrophobicContact CG-CB 4.38Å; P146-P174 WeakPolarHBondContact O-CA 3.26Å; P146-P174 WeakPolarHBondContact O-CB 3.47Å; P174-K176 PolarHBondContact O-N 2.92Å; P174-A177 PolarHBondContact O-N 2.74Å; P174-K178 PolarHBondContact O-N 2.92Å; P174-K178 VanDerWaalsContact O-N 3.11Å
175E93.1Very high94Very high39 Ų3927.6 Ų27.618%0.18213%0.132CC..Hα-helixtrans-63.6-33.5175.3-59.274.1-160.200111.3K173 A179 R308 L312K173-E175 VanDerWaalsContact C-N 3.27Å; K173-E175 PolarHBondContact O-N 3.42Å; E175-A179 VanDerWaalsContact O-CB 3.29Å; E175-A179 WeakPolarHBondContact O-CB 3.4Å; E175-A179 PolarHBondContact O-N 3.42Å; E175-R308 HydrophobicContact CB-CB 4.45Å; E175-R308 HydrophobicContact CG-CB 3.92Å; E175-R308 IonicContact OE1-CZ 3.71Å; E175-R308 IonicContact OE1-NH1 3.02Å; E175-R308 PolarHBondContact OE1-NH1 3.11Å; E175-L312 HydrophobicContact CB-CD1 3.84Å
176K92.7Very high93.9Very high54 Ų5427.4 Ų27.424%0.23513%0.134CC..Hα-helixtrans-68.9-41.7175.8-71.3-178.9175.9-176.20111.4V171 K173 P174 K178 A179 M180 L312V171-K176 HydrophobicContact CG1-CB 3.5Å; V171-K176 VanDerWaalsContact CG1-CB 3.5Å; V171-K176 HydrophobicContact CG1-CD 4.01Å; V171-K176 HydrophobicContact CG1-CG 4.41Å; K173-K176 HydrophobicContact CB-CB 4.43Å; K173-K176 HydrophobicContact CB-CD 4.24Å; K173-K176 HydrophobicContact CB-CG 4.09Å; K173-K176 WeakPolarHBondContact O-CB 3.41Å; K173-K176 PolarHBondContact O-N 3.24Å; P174-K176 PolarHBondContact O-N 2.92Å; K176-K178 VanDerWaalsContact C-N 3.34Å; K176-K178 PolarHBondContact O-N 3.43Å; K176-A179 PolarHBondContact O-N 3.26Å; K176-M180 WeakPolarHBondContact O-CB 3.41Å; K176-M180 WeakPolarHBondContact O-CG 3.22Å; K176-M180 PolarHBondContact O-N 3.35Å; K176-L312 HydrophobicContact CG-CD1 3.99Å
177A94.5Very high93.8Very high0 Ų028.8 Ų28.80%014%0.143CC..Hα-helixtrans-60.7-44.6176.500000111.4A141 F149 V171 K173 P174 M180 A181A141-A177 HydrophobicContact CB-CB 4.32Å; F149-A177 HydrophobicContact CB-CB 4.16Å; V171-A177 HydrophobicContact CG2-CB 4.23Å; K173-A177 PolarHBondContact O-N 3.44Å; P174-A177 PolarHBondContact O-N 2.74Å; A177-M180 PolarHBondContact O-N 2.72Å; A177-A181 PolarHBondContact O-N 3.43Å
178K94Very high93.5Very high65 Ų6529.3 Ų29.328%0.28315%0.146SC..Hα-helixtrans-61.2-44.8173.5-73.5-174.7-177.8-174.50112.8A141 P174 K176 A181 L182 L303 V309A141-K178 HydrophobicContact CB-CG 4.1Å; P174-K178 PolarHBondContact O-N 2.92Å; P174-K178 VanDerWaalsContact O-N 3.11Å; K176-K178 VanDerWaalsContact C-N 3.34Å; K176-K178 PolarHBondContact O-N 3.43Å; K178-A181 PolarHBondContact O-N 3.08Å; K178-L182 WeakPolarHBondContact O-CB 3.49Å; K178-L182 PolarHBondContact O-N 3Å; K178-L303 HydrophobicContact CB-CD2 3.67Å; K178-L303 HydrophobicContact CD-CD2 3.89Å; K178-L303 HydrophobicContact CG-CD2 3.84Å; K178-V309 HydrophobicContact CB-CG2 3.79Å; K178-V309 HydrophobicContact CD-CG2 4.5Å
179A93.3Very high93.2Very high0 Ų031.4 Ų31.40%016%0.164CC..Hα-helixtrans-62.5-41.5176.500000112.3E175 K176 L182 L183 V309 L312 L313E175-A179 VanDerWaalsContact O-CB 3.29Å; E175-A179 WeakPolarHBondContact O-CB 3.4Å; E175-A179 PolarHBondContact O-N 3.42Å; K176-A179 PolarHBondContact O-N 3.26Å; A179-L182 PolarHBondContact O-N 3.15Å; A179-L183 WeakPolarHBondContact O-CB 3.45Å; A179-L183 PolarHBondContact O-N 3.39Å; A179-V309 HydrophobicContact CB-CG1 3.9Å; A179-L312 HydrophobicContact CB-CB 4.35Å; A179-L312 HydrophobicContact CB-CD1 4.4Å; A179-L313 HydrophobicContact CB-CD2 4.07Å; A179-L313 HydrophobicContact CB-CG 4.31Å
180M94.2Very high92.9Very high0 Ų035.4 Ų35.40%019%0.189CC..Hα-helixtrans-63.4-43.2176.4-71.2168.272.700112Y67 V69 L108 I110 F149 V171 K176 A177 L183 L184Y67-M180 HydrophobicContact CD1-CG 4.16Å; Y67-M180 HydrophobicContact CD1-SD 4.2Å; Y67-M180 HydrophobicContact CD2-CE 4.17Å; Y67-M180 HydrophobicContact CD2-CG 3.77Å; Y67-M180 HydrophobicContact CD2-SD 4.1Å; Y67-M180 HydrophobicContact CE1-CG 4.14Å; Y67-M180 HydrophobicContact CE2-CG 3.74Å; Y67-M180 HydrophobicContact CG-CE 4.29Å; Y67-M180 HydrophobicContact CG-CG 3.98Å; Y67-M180 HydrophobicContact CG-SD 3.86Å; V69-M180 HydrophobicContact CG1-CE 4.05Å; V69-M180 HydrophobicContact CG1-SD 4.43Å; L108-M180 HydrophobicContact CB-CE 4.43Å; L108-M180 HydrophobicContact CD1-CE 3.72Å; L108-M180 HydrophobicContact CD2-CE 3.71Å; L108-M180 HydrophobicContact CG-CE 4.15Å; I110-M180 HydrophobicContact CD1-CB 3.96Å; I110-M180 HydrophobicContact CD1-CG 4.18Å; F149-M180 HydrophobicContact CD1-CB 4.37Å; F149-M180 HydrophobicContact CD1-CE 3.83Å; F149-M180 HydrophobicContact CD2-CB 4.4Å; F149-M180 HydrophobicContact CE1-CB 4.45Å; F149-M180 HydrophobicContact CE1-CE 4.27Å; F149-M180 HydrophobicContact CG-CB 4.34Å; F149-M180 HydrophobicContact CG-CE 4.5Å; V171-M180 HydrophobicContact CG1-SD 4.46Å; V171-M180 HydrophobicContact CG2-SD 3.91Å; K176-M180 WeakPolarHBondContact O-CB 3.41Å; K176-M180 WeakPolarHBondContact O-CG 3.22Å; K176-M180 PolarHBondContact O-N 3.35Å; A177-M180 PolarHBondContact O-N 2.72Å; M180-L183 PolarHBondContact O-N 3.02Å; M180-L184 WeakPolarHBondContact O-CB 3.3Å; M180-L184 PolarHBondContact O-N 3.44Å
181A94.3Very high92.6Very high0 Ų035.4 Ų35.40%019%0.193CC..Hα-helixtrans-61.5-48.8175.600000111.8A141 F149 A177 K178 L183 L184 Y185 I296A141-A181 HydrophobicContact CB-CB 4.3Å; F149-A181 HydrophobicContact CD2-CB 3.97Å; F149-A181 VanDerWaalsContact CE2-CA 3.45Å; F149-A181 HydrophobicContact CE2-CB 3.64Å; A177-A181 PolarHBondContact O-N 3.43Å; K178-A181 PolarHBondContact O-N 3.08Å; A181-L183 VanDerWaalsContact C-N 3.35Å; A181-L183 PolarHBondContact O-N 3.37Å; A181-L184 PolarHBondContact O-N 3.37Å; A181-Y185 WeakPolarHBondContact O-CB 3.15Å; A181-Y185 PolarHBondContact O-N 2.86Å; A181-I296 HydrophobicContact CB-CD1 4.41Å
182L93.2Very high92.2Very high1 Ų136.8 Ų36.81%0.00520%0.2CC..Hα-helixtrans-61.6-44.1178.1-178.261.1000111.7K178 A179 Y185 Q186 V300 L303 K304 V309 L313K178-L182 WeakPolarHBondContact O-CB 3.49Å; K178-L182 PolarHBondContact O-N 3Å; A179-L182 PolarHBondContact O-N 3.15Å; L182-Y185 PolarHBondContact O-N 3.36Å; L182-Q186 HydrophobicContact CD1-CG 4.28Å; L182-Q186 HydrophobicContact CG-CG 4.4Å; L182-Q186 WeakPolarHBondContact O-CB 3.34Å; L182-Q186 VanDerWaalsContact O-CG 3.29Å; L182-Q186 WeakPolarHBondContact O-CG 3.44Å; L182-Q186 PolarHBondContact O-N 3.08Å; L182-V300 HydrophobicContact CD1-CG1 4.26Å; L182-L303 HydrophobicContact CB-CB 4.39Å; L182-L303 HydrophobicContact CB-CD1 4.27Å; L182-L303 HydrophobicContact CD1-CB 4.17Å; L182-L303 HydrophobicContact CD2-CB 4.15Å; L182-L303 HydrophobicContact CG-CB 4.47Å; L182-K304 HydrophobicContact CD1-CG 4.01Å; L182-K304 HydrophobicContact CD2-CG 4.13Å; L182-V309 HydrophobicContact CD2-CG1 3.91Å; L182-L313 HydrophobicContact CD2-CD1 3.88Å; L182-L313 HydrophobicContact CG-CD1 4.33Å
183L92.9Very high92Very high25 Ų2536.5 Ų36.513%0.13120%0.198CC..Hα-helixtrans-63.5-47.9-179.9176.965000111.5P65 Y67 I110 A179 M180 A181 Y185 Q186 T187 L313P65-L183 HydrophobicContact CB-CD2 4.25Å; P65-L183 HydrophobicContact CG-CD2 3.23Å; P65-L183 HydrophobicContact CG-CG 4.5Å; Y67-L183 HydrophobicContact CE2-CD2 4.35Å; I110-L183 HydrophobicContact CB-CD2 3.93Å; I110-L183 HydrophobicContact CB-CG 4.46Å; I110-L183 HydrophobicContact CD1-CD2 3.94Å; I110-L183 HydrophobicContact CD1-CG 4.43Å; I110-L183 HydrophobicContact CG1-CD2 4.5Å; I110-L183 HydrophobicContact CG2-CD2 4.06Å; I110-L183 HydrophobicContact CG2-CG 4.04Å; A179-L183 WeakPolarHBondContact O-CB 3.45Å; A179-L183 PolarHBondContact O-N 3.39Å; M180-L183 PolarHBondContact O-N 3.02Å; A181-L183 VanDerWaalsContact C-N 3.35Å; A181-L183 PolarHBondContact O-N 3.37Å; L183-Y185 VanDerWaalsContact C-N 3.26Å; L183-Y185 PolarHBondContact O-N 3.38Å; L183-Q186 PolarHBondContact O-N 3.03Å; L183-T187 WeakPolarHBondContact O-CB 3.37Å; L183-T187 PolarHBondContact O-N 3.42Å; L183-T187 PolarHBondContact O-OG1 2.77Å; L183-L313 HydrophobicContact CB-CD2 3.84Å; L183-L313 HydrophobicContact CD1-CD2 4.33Å; L183-L313 HydrophobicContact CD2-CD2 4.35Å; L183-L313 HydrophobicContact CG-CD2 4.39Å
184L93.5Very high91.7Very high0 Ų035.3 Ų35.30%020%0.195CC..Hα-helixtrans-59.2-43.3178.2-176.464.9000110.6I110 I115 L133 I136 C139 F149 M180 A181 T187 S188 M294I110-L184 HydrophobicContact CD1-CB 4.44Å; I110-L184 HydrophobicContact CG2-CB 4.4Å; I110-L184 HydrophobicContact CG2-CD1 4Å; I115-L184 HydrophobicContact CD1-CD1 4.26Å; I115-L184 HydrophobicContact CD1-CD2 3.78Å; I115-L184 HydrophobicContact CG1-CD1 3.87Å; I115-L184 HydrophobicContact CG1-CD2 4.31Å; L133-L184 HydrophobicContact CD1-CD1 3.77Å; I136-L184 HydrophobicContact CD1-CD1 4.45Å; C139-L184 HydrophobicContact CB-CD2 3.83Å; F149-L184 HydrophobicContact CZ-CD2 3.92Å; M180-L184 WeakPolarHBondContact O-CB 3.3Å; M180-L184 PolarHBondContact O-N 3.44Å; A181-L184 PolarHBondContact O-N 3.37Å; L184-T187 PolarHBondContact O-N 3.12Å; L184-S188 WeakPolarHBondContact O-CB 3.38Å; L184-S188 PolarHBondContact O-N 2.94Å; L184-S188 PolarHBondContact O-OG 3.22Å; L184-M294 HydrophobicContact CB-CE 4.39Å; L184-M294 HydrophobicContact CD2-CE 4.28Å; L184-M294 HydrophobicContact CD2-SD 4.26Å; L184-M294 HydrophobicContact CG-CE 3.74Å; L184-M294 HydrophobicContact CG-SD 4.19Å; L184-M294 WeakPolarHBondContact O-CE 3.39Å
185Y92.6Very high91.4Very high68 Ų6839.6 Ų39.627%0.26721%0.21SC..Hα-helixtrans-60.2-49.8174.9178.7-103.2000112.6A181 L182 L183 T187 S188 A189 M294 I296 V300A181-Y185 WeakPolarHBondContact O-CB 3.15Å; A181-Y185 PolarHBondContact O-N 2.86Å; L182-Y185 PolarHBondContact O-N 3.36Å; L183-Y185 VanDerWaalsContact C-N 3.26Å; L183-Y185 PolarHBondContact O-N 3.38Å; Y185-T187 VanDerWaalsContact C-N 3.34Å; Y185-T187 PolarHBondContact O-N 2.85Å; Y185-S188 PolarHBondContact O-N 3.14Å; Y185-S188 PolarHBondContact O-OG 2.99Å; Y185-A189 WeakPolarHBondContact O-CB 3.48Å; Y185-A189 PolarHBondContact O-N 3.24Å; Y185-M294 VanDerWaalsContact CA-CE 3.43Å; Y185-I296 HydrophobicContact CD1-CG2 4.42Å; Y185-I296 HydrophobicContact CD2-CB 3.84Å; Y185-I296 HydrophobicContact CD2-CG2 3.69Å; Y185-I296 HydrophobicContact CE1-CG2 4.48Å; Y185-I296 HydrophobicContact CE2-CB 4.35Å; Y185-I296 HydrophobicContact CE2-CG2 3.76Å; Y185-I296 HydrophobicContact CG-CB 4.18Å; Y185-I296 HydrophobicContact CG-CD1 4.14Å; Y185-I296 HydrophobicContact CG-CG2 4.04Å; Y185-V300 HydrophobicContact CD1-CG1 4.3Å; Y185-V300 HydrophobicContact CD1-CG2 4.12Å; Y185-V300 HydrophobicContact CE1-CG1 3.94Å; Y185-V300 HydrophobicContact CE1-CG2 3.74Å
186Q91.7Very high91Very high69 Ų6940.6 Ų40.632%0.32221%0.214SC..Hα-helixtrans-59.7-43.8176.7-74176.6-6.800112.3L182 L183 A189 T190L182-Q186 HydrophobicContact CD1-CG 4.28Å; L182-Q186 HydrophobicContact CG-CG 4.4Å; L182-Q186 WeakPolarHBondContact O-CB 3.34Å; L182-Q186 VanDerWaalsContact O-CG 3.29Å; L182-Q186 WeakPolarHBondContact O-CG 3.44Å; L182-Q186 PolarHBondContact O-N 3.08Å; L183-Q186 PolarHBondContact O-N 3.03Å; Q186-A189 PolarHBondContact O-N 3.3Å; Q186-T190 WeakPolarHBondContact O-CB 3.41Å; Q186-T190 PolarHBondContact O-N 3.36Å; Q186-T190 PolarHBondContact O-OG1 2.93Å
187T91.8Very high90.6Very high29 Ų2943.3 Ų43.318%0.17822%0.222CC..Hα-helixtrans-63.5-42.6177.6-61.80000111.1S111 L133 L183 L184 Y185 T190 A191S111-T187 WeakPolarHBondContact O-CG2 3.5Å; L133-T187 HydrophobicContact CD2-CG2 4.23Å; L183-T187 WeakPolarHBondContact O-CB 3.37Å; L183-T187 PolarHBondContact O-N 3.42Å; L183-T187 PolarHBondContact O-OG1 2.77Å; L184-T187 PolarHBondContact O-N 3.12Å; Y185-T187 VanDerWaalsContact C-N 3.34Å; Y185-T187 PolarHBondContact O-N 2.85Å; T187-T190 PolarHBondContact O-N 3.08Å; T187-A191 VanDerWaalsContact O-CB 3.26Å; T187-A191 WeakPolarHBondContact O-CB 3.41Å; T187-A191 PolarHBondContact O-N 3.22Å
188S91.1Very high90.1Very high13 Ų1348.1 Ų48.19%0.09125%0.248CC..Hα-helixtrans-63.8-45.917674.30000113L184 Y185 T190 A191 L192 M294L184-S188 WeakPolarHBondContact O-CB 3.38Å; L184-S188 PolarHBondContact O-N 2.94Å; L184-S188 PolarHBondContact O-OG 3.22Å; Y185-S188 PolarHBondContact O-N 3.14Å; Y185-S188 PolarHBondContact O-OG 2.99Å; S188-T190 VanDerWaalsContact C-N 3.31Å; S188-T190 PolarHBondContact O-N 3.14Å; S188-A191 PolarHBondContact O-N 3.49Å; S188-L192 VanDerWaalsContact O-CB 3.29Å; S188-L192 WeakPolarHBondContact O-CB 3.46Å; S188-L192 PolarHBondContact O-N 3Å; S188-M294 WeakPolarHBondContact OG-CE 3.37Å
189A89.4Confident89.5Confident46 Ų4650.3 Ų50.338%0.3826%0.257SS..Hα-helixtrans-63.6-41178.600000110.8Y185 Q186 S193Y185-A189 WeakPolarHBondContact O-CB 3.48Å; Y185-A189 PolarHBondContact O-N 3.24Å; Q186-A189 PolarHBondContact O-N 3.3Å; A189-S193 WeakPolarHBondContact O-CB 3.35Å; A189-S193 PolarHBondContact O-N 3.06Å; A189-S193 PolarHBondContact O-OG 3.46Å
190T89.8Confident88.9Confident84 Ų8457.4 Ų57.452%0.51528%0.284SS..Hα-helixtrans-64.8-50.3176.4-55.40000111Q186 T187 S188 L192 S193 E194Q186-T190 WeakPolarHBondContact O-CB 3.41Å; Q186-T190 PolarHBondContact O-N 3.36Å; Q186-T190 PolarHBondContact O-OG1 2.93Å; T187-T190 PolarHBondContact O-N 3.08Å; S188-T190 VanDerWaalsContact C-N 3.31Å; S188-T190 PolarHBondContact O-N 3.14Å; T190-L192 VanDerWaalsContact C-N 3.31Å; T190-L192 PolarHBondContact O-N 3.32Å; T190-S193 PolarHBondContact O-N 3.02Å; T190-S193 PolarHBondContact O-OG 3.28Å; T190-E194 PolarHBondContact O-N 3.48Å
191A89.1Confident88.1Confident34 Ų3465.1 Ų65.128%0.28131%0.313SS..Hα-helixtrans-59.5-41.7178.500000112L133 T187 S188 E194 F195L133-A191 HydrophobicContact CD2-CB 3.75Å; T187-A191 VanDerWaalsContact O-CB 3.26Å; T187-A191 WeakPolarHBondContact O-CB 3.41Å; T187-A191 PolarHBondContact O-N 3.22Å; S188-A191 PolarHBondContact O-N 3.49Å; A191-E194 PolarHBondContact O-N 2.96Å; A191-F195 WeakPolarHBondContact O-CB 3.29Å; A191-F195 PolarHBondContact O-N 3.3Å
192L86.9Confident87.2Confident33 Ų3367.7 Ų67.717%0.17333%0.327CS..Hα-helixtrans-66.4-41.2176.1-176.864.5000111.8S188 T190 E194 F195 K196 E293S188-L192 VanDerWaalsContact O-CB 3.29Å; S188-L192 WeakPolarHBondContact O-CB 3.46Å; S188-L192 PolarHBondContact O-N 3Å; T190-L192 VanDerWaalsContact C-N 3.31Å; T190-L192 PolarHBondContact O-N 3.32Å; L192-E194 VanDerWaalsContact C-N 3.31Å; L192-E194 PolarHBondContact O-N 3.41Å; L192-F195 PolarHBondContact O-N 3.04Å; L192-K196 HydrophobicContact CD1-CG 4.43Å; L192-K196 HydrophobicContact CG-CD 4.26Å; L192-K196 HydrophobicContact CG-CG 4.47Å; L192-K196 WeakPolarHBondContact O-CB 3.43Å; L192-K196 WeakPolarHBondContact O-CG 3.31Å; L192-K196 PolarHBondContact O-N 3.38Å; L192-E293 HydrophobicContact CD2-CB 4.38Å; L192-E293 HydrophobicContact CD2-CG 3.35Å
193S87.5Confident86.6Confident58 Ų5870.7 Ų70.741%0.40634%0.343SS..Hα-helixtrans-63-39.1176.775.60000112A189 T190 R197A189-S193 WeakPolarHBondContact O-CB 3.35Å; A189-S193 PolarHBondContact O-N 3.06Å; A189-S193 PolarHBondContact O-OG 3.46Å; T190-S193 PolarHBondContact O-N 3.02Å; T190-S193 PolarHBondContact O-OG 3.28Å; S193-R197 VanDerWaalsContact O-CB 3.28Å; S193-R197 WeakPolarHBondContact O-CB 3.42Å; S193-R197 PolarHBondContact O-N 2.86Å
194E87.3Confident85.8Confident88 Ų8871.9 Ų71.941%0.41136%0.357SS..Hα-helixtrans-68.3-41.7175.5-77.3-63.8115.500111.7T190 A191 L192 R197 L198T190-E194 PolarHBondContact O-N 3.48Å; A191-E194 PolarHBondContact O-N 2.96Å; L192-E194 VanDerWaalsContact C-N 3.31Å; L192-E194 PolarHBondContact O-N 3.41Å; E194-R197 WeakPolarHBondContact O-CB 3.39Å; E194-R197 PolarHBondContact O-N 3.37Å; E194-R197 IonicContact OE1-CZ 3.45Å; E194-R197 IonicContact OE1-NE 2.92Å; E194-R197 PolarHBondContact OE1-NE 2.93Å; E194-R197 IonicContact OE1-NH2 3.7Å; E194-R197 IonicContact OE2-CZ 2.98Å; E194-R197 IonicContact OE2-NE 3.52Å; E194-R197 PolarHBondContact OE2-NE 3.46Å; E194-R197 IonicContact OE2-NH2 3.05Å; E194-R197 PolarHBondContact OE2-NH2 3.45Å; E194-L198 WeakPolarHBondContact O-CB 3.37Å; E194-L198 PolarHBondContact O-N 2.83Å
195F86.1Confident84.9Confident125 Ų12575.8 Ų75.855%0.54837%0.371SS..Hα-helixtrans-60.8-50173.1177.2-101.5000111.6A191 L192 R197 L198 K199A191-F195 WeakPolarHBondContact O-CB 3.29Å; A191-F195 PolarHBondContact O-N 3.3Å; L192-F195 PolarHBondContact O-N 3.04Å; F195-R197 VanDerWaalsContact C-N 3.26Å; F195-R197 PolarHBondContact O-N 3.04Å; F195-L198 PolarHBondContact O-N 2.86Å; F195-L198 VanDerWaalsContact O-N 3.15Å; F195-K199 HydrophobicContact CZ-CD 4.29Å; F195-K199 WeakPolarHBondContact O-CB 3.49Å; F195-K199 PolarHBondContact O-N 3.42Å
196K84.5Confident84Confident61 Ų6176.2 Ų76.227%0.26538%0.376SS..Hα-helixtrans-58.9-38.2175.8-71.9178.8178.9179.80111.1L192 R200 E293L192-K196 HydrophobicContact CD1-CG 4.43Å; L192-K196 HydrophobicContact CG-CD 4.26Å; L192-K196 HydrophobicContact CG-CG 4.47Å; L192-K196 WeakPolarHBondContact O-CB 3.43Å; L192-K196 WeakPolarHBondContact O-CG 3.31Å; L192-K196 PolarHBondContact O-N 3.38Å; K196-R200 WeakPolarHBondContact O-CB 3.5Å; K196-R200 WeakPolarHBondContact O-CG 3.24Å; K196-R200 PolarHBondContact O-N 2.91Å; K196-R200 VanDerWaalsContact O-N 3.1Å; K196-R200 PolarHBondContact O-NE 2.84Å; K196-E293 IonicContact NZ-OE1 2.97Å; K196-E293 PolarHBondContact NZ-OE1 3.08Å
197R84.3Confident83.2Confident110 Ų11078.7 Ų78.742%0.41539%0.387SS..Hα-helixtrans-66.5-42.1176-173.6-174.668.570.52112.2S193 E194 F195 R201S193-R197 VanDerWaalsContact O-CB 3.28Å; S193-R197 WeakPolarHBondContact O-CB 3.42Å; S193-R197 PolarHBondContact O-N 2.86Å; E194-R197 WeakPolarHBondContact O-CB 3.39Å; E194-R197 PolarHBondContact O-N 3.37Å; E194-R197 IonicContact OE1-CZ 3.45Å; E194-R197 IonicContact OE1-NE 2.92Å; E194-R197 PolarHBondContact OE1-NE 2.93Å; E194-R197 IonicContact OE1-NH2 3.7Å; E194-R197 IonicContact OE2-CZ 2.98Å; E194-R197 IonicContact OE2-NE 3.52Å; E194-R197 PolarHBondContact OE2-NE 3.46Å; E194-R197 IonicContact OE2-NH2 3.05Å; E194-R197 PolarHBondContact OE2-NH2 3.45Å; F195-R197 VanDerWaalsContact C-N 3.26Å; F195-R197 PolarHBondContact O-N 3.04Å; R197-R201 PolarHBondContact O-N 3.37Å
198L84Confident82.2Confident101 Ų10181.8 Ų81.853%0.52940%0.399SS..Hα-helixtrans-69.5-45.6179.3-170.763.3000111.2E194 F195 R200 R201 D202E194-L198 WeakPolarHBondContact O-CB 3.37Å; E194-L198 PolarHBondContact O-N 2.83Å; F195-L198 PolarHBondContact O-N 2.86Å; F195-L198 VanDerWaalsContact O-N 3.15Å; L198-R200 PolarHBondContact O-N 2.97Å; L198-R201 WeakPolarHBondContact O-CB 3.47Å; L198-R201 PolarHBondContact O-N 3.41Å; L198-R201 VanDerWaalsContact O-N 3.13Å; L198-D202 PolarHBondContact O-N 3.25Å
199K82.6Confident81.1Confident111 Ų11182.5 Ų82.548%0.48340%0.402SS..Hα-helixtrans-56-50.7175.7-164.987.3-175.8178.70111.1F195 R201 D202 D203F195-K199 HydrophobicContact CZ-CD 4.29Å; F195-K199 WeakPolarHBondContact O-CB 3.49Å; F195-K199 PolarHBondContact O-N 3.42Å; K199-R201 VanDerWaalsContact C-N 3.27Å; K199-R201 PolarHBondContact O-N 2.98Å; K199-D202 WeakPolarHBondContact O-CA 3.46Å; K199-D202 WeakPolarHBondContact O-CB 3.48Å; K199-D202 PolarHBondContact O-N 3.45Å; K199-D203 PolarHBondContact O-N 3.02Å
200R79.8Confident80.2Confident150 Ų15088.2 Ų88.257%0.56642%0.42SS*.Hα-helixtrans-56.8-36.4176-79.5-174.4-105.7105.5-3.4114K196 L198 D202 A204K196-R200 WeakPolarHBondContact O-CB 3.5Å; K196-R200 WeakPolarHBondContact O-CG 3.24Å; K196-R200 PolarHBondContact O-N 2.91Å; K196-R200 VanDerWaalsContact O-N 3.1Å; K196-R200 PolarHBondContact O-NE 2.84Å; L198-R200 PolarHBondContact O-N 2.97Å; R200-D202 VanDerWaalsContact C-N 3.35Å; R200-A204 VanDerWaalsContact O-CB 3.27Å; R200-A204 WeakPolarHBondContact O-CB 3.49Å; R200-A204 PolarHBondContact O-N 2.88Å
201R77.4Confident79.4Confident161 Ų16191.5 Ų91.561%0.60843%0.434SS*.Hα-helixtrans-71.3-35177.1-179.1177.8178.1144.70.9111.4R197 L198 K199 R205R197-R201 PolarHBondContact O-N 3.37Å; L198-R201 WeakPolarHBondContact O-CB 3.47Å; L198-R201 PolarHBondContact O-N 3.41Å; L198-R201 VanDerWaalsContact O-N 3.13Å; K199-R201 VanDerWaalsContact C-N 3.27Å; K199-R201 PolarHBondContact O-N 2.98Å; R201-R205 WeakPolarHBondContact O-CG 3.37Å; R201-R205 PolarHBondContact O-N 3.07Å
202D75.1Confident78.3Confident54 Ų5494.6 Ų94.629%0.28944%0.444SS..Hα-helixtrans-69.8-49.8177.2-152.848.9000111.2L198 K199 R200 A204 R205 H206L198-D202 PolarHBondContact O-N 3.25Å; K199-D202 WeakPolarHBondContact O-CA 3.46Å; K199-D202 WeakPolarHBondContact O-CB 3.48Å; K199-D202 PolarHBondContact O-N 3.45Å; R200-D202 VanDerWaalsContact C-N 3.35Å; D202-A204 VanDerWaalsContact C-N 3.29Å; D202-A204 PolarHBondContact O-N 3.38Å; D202-R205 WeakPolarHBondContact O-CA 3.48Å; D202-R205 WeakPolarHBondContact O-CB 3.47Å; D202-R205 PolarHBondContact O-N 3.08Å; D202-R205 IonicContact OD1-CZ 3.61Å; D202-R205 IonicContact OD1-NE 3.14Å; D202-R205 IonicContact OD1-NH2 2.81Å; D202-R205 PolarHBondContact OD1-NH2 2.63Å; D202-H206 PolarHBondContact O-N 2.92Å
203D81.2Confident77.2Confident65 Ų6594.6 Ų94.635%0.34845%0.453SS..Hα-helixtrans-57.2-43.1175.9-57.5-24.9000111.1K199 R205 H206 Q207K199-D203 PolarHBondContact O-N 3.02Å; D203-R205 VanDerWaalsContact C-N 3.32Å; D203-R205 PolarHBondContact O-N 3.29Å; D203-H206 PolarHBondContact O-N 2.88Å; D203-Q207 WeakPolarHBondContact O-CB 3.16Å; D203-Q207 VanDerWaalsContact O-CG 3.3Å; D203-Q207 WeakPolarHBondContact O-CG 3.29Å; D203-Q207 PolarHBondContact O-N 3.15Å
204A76.2Confident75.8Confident50 Ų50100.1 Ų100.141%0.41347%0.472SS..Hα-helixtrans-63.2-35.5175.800000112.8R200 D202 Q208R200-A204 VanDerWaalsContact O-CB 3.27Å; R200-A204 WeakPolarHBondContact O-CB 3.49Å; R200-A204 PolarHBondContact O-N 2.88Å; D202-A204 VanDerWaalsContact C-N 3.29Å; D202-A204 PolarHBondContact O-N 3.38Å; A204-Q208 WeakPolarHBondContact O-CB 3.19Å; A204-Q208 PolarHBondContact O-N 3.1Å
205R75.2Confident74.5Confident81 Ų81105 Ų10531%0.30650%0.495SS..Hα-helixtrans-68-44.4174.7-76.1-174.2-66.11703.5111.1R201 D202 D203 Q208 Q209 L219R201-R205 WeakPolarHBondContact O-CG 3.37Å; R201-R205 PolarHBondContact O-N 3.07Å; D202-R205 WeakPolarHBondContact O-CA 3.48Å; D202-R205 WeakPolarHBondContact O-CB 3.47Å; D202-R205 PolarHBondContact O-N 3.08Å; D202-R205 IonicContact OD1-CZ 3.61Å; D202-R205 IonicContact OD1-NE 3.14Å; D202-R205 IonicContact OD1-NH2 2.81Å; D202-R205 PolarHBondContact OD1-NH2 2.63Å; D203-R205 VanDerWaalsContact C-N 3.32Å; D203-R205 PolarHBondContact O-N 3.29Å; R205-Q208 PolarHBondContact O-N 2.95Å; R205-Q209 PolarHBondContact O-N 3.02Å; R205-L219 PolarHBondContact NH1-O 2.87Å; R205-L219 VanDerWaalsContact NH1-O 3.15Å
206H72.9Confident73.2Confident78 Ų78103 Ų10336%0.36149%0.493SS..Hα-helixtrans-62.8-43.7177.4-74.5-158.4000111.3D202 D203 Q208 Q209 Q210 L219D202-H206 PolarHBondContact O-N 2.92Å; D203-H206 PolarHBondContact O-N 2.88Å; H206-Q208 VanDerWaalsContact C-N 3.35Å; H206-Q208 PolarHBondContact O-N 3.49Å; H206-Q209 WeakPolarHBondContact O-CB 3.33Å; H206-Q209 PolarHBondContact O-N 2.84Å; H206-Q210 WeakPolarHBondContact O-CG 3.41Å; H206-Q210 PolarHBondContact O-N 2.92Å; H206-L219 VanDerWaalsContact CD2-CD2 3.44Å; H206-L219 WeakPolarHBondContact CD2-CD2 3.35Å
207Q75.1Confident72Confident120 Ų120101.4 Ų101.456%0.56149%0.487SS*.Hα-helixtrans-61.6-41.7174.9-73.3174.73.500112.2D203 Q209 Q210 L211D203-Q207 WeakPolarHBondContact O-CB 3.16Å; D203-Q207 VanDerWaalsContact O-CG 3.3Å; D203-Q207 WeakPolarHBondContact O-CG 3.29Å; D203-Q207 PolarHBondContact O-N 3.15Å; Q207-Q209 VanDerWaalsContact C-N 3.3Å; Q207-Q209 PolarHBondContact O-N 2.94Å; Q207-Q210 PolarHBondContact O-N 3.46Å; Q207-L211 WeakPolarHBondContact O-CG 3.44Å; Q207-L211 PolarHBondContact O-N 3.21Å; Q207-L211 VanDerWaalsContact O-N 3.1Å
208Q70.3Confident70.8Confident94 Ų9498.9 Ų98.944%0.43949%0.485SS..Hα-helixtrans-65.5-34.7178.6-155.8-171.1-48.500111.8A204 R205 H206 L211 I212 I217A204-Q208 WeakPolarHBondContact O-CB 3.19Å; A204-Q208 PolarHBondContact O-N 3.1Å; R205-Q208 PolarHBondContact O-N 2.95Å; H206-Q208 VanDerWaalsContact C-N 3.35Å; H206-Q208 PolarHBondContact O-N 3.49Å; Q208-L211 PolarHBondContact O-N 2.85Å; Q208-I212 HydrophobicContact CG-CD1 3.89Å; Q208-I212 HydrophobicContact CG-CG1 4.41Å; Q208-I212 WeakPolarHBondContact O-CB 3.32Å; Q208-I212 WeakPolarHBondContact O-CG1 3.44Å; Q208-I212 PolarHBondContact O-N 2.78Å; Q208-I217 HydrophobicContact CB-CD1 3.82Å; Q208-I217 HydrophobicContact CG-CD1 3.39Å; Q208-I217 WeakPolarHBondContact O-CD1 3.43Å
209Q68.3Low69.6Low29 Ų2997.7 Ų97.714%0.13648%0.479CS..Hα-helixtrans-66.2-42.2172.6-75.4-175.9-31.900112.9R205 H206 Q207 L211 G213 I217 L219R205-Q209 PolarHBondContact O-N 3.02Å; H206-Q209 WeakPolarHBondContact O-CB 3.33Å; H206-Q209 PolarHBondContact O-N 2.84Å; Q207-Q209 VanDerWaalsContact C-N 3.3Å; Q207-Q209 PolarHBondContact O-N 2.94Å; Q209-L211 VanDerWaalsContact C-N 3.25Å; Q209-L211 PolarHBondContact O-N 2.86Å; Q209-G213 CarbonylContact O-C 3.36Å; Q209-G213 VanDerWaalsContact O-CA 3.24Å; Q209-G213 WeakPolarHBondContact O-CA 3.5Å; Q209-G213 PolarHBondContact O-N 2.81Å; Q209-I217 HydrophobicContact CG-CB 4.1Å; Q209-I217 HydrophobicContact CG-CG2 4.42Å; Q209-I217 WeakPolarHBondContact CG-O 3.46Å; Q209-I217 PolarHBondContact NE2-O 2.96Å; Q209-L219 VanDerWaalsContact CD-CD2 3.41Å; Q209-L219 VanDerWaalsContact NE2-CD2 3.32Å
210Q70.1Confident68.5Low166 Ų16695.2 Ų95.278%0.77647%0.473SS*.Hα-helixtrans-62.1-35176.7-70.7178.1-0.700112H206 Q207H206-Q210 WeakPolarHBondContact O-CG 3.41Å; H206-Q210 PolarHBondContact O-N 2.92Å; Q207-Q210 PolarHBondContact O-N 3.46Å
211L73.2Confident67.5Low153 Ų15391.2 Ų91.280%0.80147%0.466SS*.Hα-helixtrans-80.7-35.4-179.4-68.8171.4000114.4Q207 Q208 Q209Q207-L211 WeakPolarHBondContact O-CG 3.44Å; Q207-L211 PolarHBondContact O-N 3.21Å; Q207-L211 VanDerWaalsContact O-N 3.1Å; Q208-L211 PolarHBondContact O-N 2.85Å; Q209-L211 VanDerWaalsContact C-N 3.25Å; Q209-L211 PolarHBondContact O-N 2.86Å
212I67.2Low66.6Low98 Ų9889 Ų8950%0.50347%0.466SS..Hα-helixtrans-106.7-4.3-172.4-46.9-171000111.7Q208 T216 I217Q208-I212 HydrophobicContact CG-CD1 3.89Å; Q208-I212 HydrophobicContact CG-CG1 4.41Å; Q208-I212 WeakPolarHBondContact O-CB 3.32Å; Q208-I212 WeakPolarHBondContact O-CG1 3.44Å; Q208-I212 PolarHBondContact O-N 2.78Å; I212-T216 HydrophobicContact CG2-CG2 4.22Å; I212-T216 WeakPolarHBondContact CG2-OG1 3.29Å; I212-T216 PolarHBondContact O-OG1 2.97Å; I212-I217 HydrophobicContact CB-CD1 4.01Å; I212-I217 HydrophobicContact CD1-CD1 4.08Å; I212-I217 HydrophobicContact CG1-CD1 4.27Å
213G62.4Low65.8Low34 Ų3494.5 Ų94.535%0.35148%0.483SS..  trans82.8145.6-177.300000112.9Q209 Q215 T216Q209-G213 CarbonylContact O-C 3.36Å; Q209-G213 VanDerWaalsContact O-CA 3.24Å; Q209-G213 WeakPolarHBondContact O-CA 3.5Å; Q209-G213 PolarHBondContact O-N 2.81Å; G213-Q215 PolarHBondContact O-N 3.45Å; G213-T216 PolarHBondContact O-N 3Å; G213-T216 PolarHBondContact O-OG1 3.13Å
214E59.6Low64.6Low173 Ų17397.7 Ų97.781%0.80849%0.493SS*.THydrogen-bonded Turntrans-52.4-28-174.8-72.3175.8163.900114.5T216E214-T216 VanDerWaalsContact C-N 3.31Å; E214-T216 PolarHBondContact O-N 3.19Å
215Q58.5Low63.9Low191 Ų191100 Ų10089%0.89350%0.498SS*.THydrogen-bonded Turntrans-72.7-14.3-174.6-66.6-88.216.600114.7G213G213-Q215 PolarHBondContact O-N 3.45Å
216T60Low63.2Low82 Ų82102.5 Ų102.550%0.50352%0.517SS..THydrogen-bonded Turntrans-108.2-24.4-168.354.90000114.9I212 G213 E214I212-T216 HydrophobicContact CG2-CG2 4.22Å; I212-T216 WeakPolarHBondContact CG2-OG1 3.29Å; I212-T216 PolarHBondContact O-OG1 2.97Å; G213-T216 PolarHBondContact O-N 3Å; G213-T216 PolarHBondContact O-OG1 3.13Å; E214-T216 VanDerWaalsContact C-N 3.31Å; E214-T216 PolarHBondContact O-N 3.19Å
217I59.3Low62.4Low29 Ų29104.3 Ų104.315%0.14953%0.529CS..SBendtrans-130.7105.3-177-56.4149.5000108.6Q208 Q209 I212Q208-I217 HydrophobicContact CB-CD1 3.82Å; Q208-I217 HydrophobicContact CG-CD1 3.39Å; Q208-I217 WeakPolarHBondContact O-CD1 3.43Å; Q209-I217 HydrophobicContact CG-CB 4.1Å; Q209-I217 HydrophobicContact CG-CG2 4.42Å; Q209-I217 WeakPolarHBondContact CG-O 3.46Å; Q209-I217 PolarHBondContact NE2-O 2.96Å; I212-I217 HydrophobicContact CB-CD1 4.01Å; I212-I217 HydrophobicContact CD1-CD1 4.08Å; I212-I217 HydrophobicContact CG1-CD1 4.27Å
218P58.8Low61.4Low57 Ų57102.2 Ų102.237%0.3754%0.54SS..  trans-76.8135178.5-5.318.5000112.4V220 L222 L225P218-V220 PolarHBondContact O-N 2.92Å; P218-L222 HydrophobicContact CG-CD2 3.97Å; P218-L222 HydrophobicContact CG-CG 4.34Å; P218-L225 HydrophobicContact CB-CD1 3.11Å; P218-L225 HydrophobicContact CG-CD1 3.74Å
219L58.8Low60.8Low76 Ų76105.1 Ų105.140%0.39855%0.553SS.*SBendtrans-60.1-32.7175.3-71.6-178.5000112.5R205 H206 Q209R205-L219 PolarHBondContact NH1-O 2.87Å; R205-L219 VanDerWaalsContact NH1-O 3.15Å; H206-L219 VanDerWaalsContact CD2-CD2 3.44Å; H206-L219 WeakPolarHBondContact CD2-CD2 3.35Å; Q209-L219 VanDerWaalsContact CD-CD2 3.41Å; Q209-L219 VanDerWaalsContact NE2-CD2 3.32Å
220V59Low60Low59 Ų59107.9 Ų107.936%0.35858%0.575SS.*SBendtrans-97.2139.8-175.1-164.90000109.2P218 L222 K224 L225P218-V220 PolarHBondContact O-N 2.92Å; V220-L222 PolarHBondContact O-N 3.18Å; V220-K224 HydrophobicContact CG1-CB 3.55Å; V220-K224 HydrophobicContact CG1-CD 3.33Å; V220-K224 HydrophobicContact CG1-CG 3.96Å; V220-L225 HydrophobicContact CB-CD2 4.35Å; V220-L225 HydrophobicContact CB-CG 4.34Å
221P59.8Low59.2Low65 Ų65110 Ų11042%0.42258%0.577SS.*  trans-48.7129174-29.335.3000111.2R223 K224P221-R223 HydrophobicContact CB-CG 3.94Å; P221-R223 PolarHBondContact O-N 3.03Å; P221-K224 WeakPolarHBondContact O-CB 3.44Å; P221-K224 PolarHBondContact O-N 3.43Å
222L58.1Low58.2Low114 Ų114111.3 Ų111.360%0.59757%0.573SS**Hα-helixtrans-44.9-35.9-177-82.6155.9000113.3P218 V220 K224 L225 L226P218-L222 HydrophobicContact CG-CD2 3.97Å; P218-L222 HydrophobicContact CG-CG 4.34Å; V220-L222 PolarHBondContact O-N 3.18Å; L222-K224 PolarHBondContact O-N 3.04Å; L222-L225 PolarHBondContact O-N 2.96Å; L222-L226 WeakPolarHBondContact O-CB 3.29Å; L222-L226 PolarHBondContact O-N 3.37Å
223R58.1Low57.8Low171 Ų171115.7 Ų115.765%0.64559%0.588SS**Hα-helixtrans-56-28.5174.866.9-177.5-178.189.1-2.7115.3P221 N227P221-R223 HydrophobicContact CB-CG 3.94Å; P221-R223 PolarHBondContact O-N 3.03Å; R223-N227 WeakPolarHBondContact O-CB 3.36Å; R223-N227 PolarHBondContact O-N 3.2Å; R223-N227 PolarHBondContact O-OD1 3.15Å
224K55.5Low57.4Low132 Ų132117.8 Ų117.857%0.57460%0.595SS**Hα-helixtrans-80.3-35.1175.8-72.3-172.4160.3-161.10111.1V220 P221 L222V220-K224 HydrophobicContact CG1-CB 3.55Å; V220-K224 HydrophobicContact CG1-CD 3.33Å; V220-K224 HydrophobicContact CG1-CG 3.96Å; P221-K224 WeakPolarHBondContact O-CB 3.44Å; P221-K224 PolarHBondContact O-N 3.43Å; L222-K224 PolarHBondContact O-N 3.04Å
225L61Low57Low99 Ų99115 Ų11552%0.51859%0.592SS.*Hα-helixtrans-75.1-34.8176.6-58.6171000112.1P218 V220 L222 N227P218-L225 HydrophobicContact CB-CD1 3.11Å; P218-L225 HydrophobicContact CG-CD1 3.74Å; V220-L225 HydrophobicContact CB-CD2 4.35Å; V220-L225 HydrophobicContact CB-CG 4.34Å; L222-L225 PolarHBondContact O-N 2.96Å; L225-N227 VanDerWaalsContact C-N 3.3Å
226L60.9Low56.9Low132 Ų132111.7 Ų111.769%0.69159%0.585SS**G310 helixtrans-82.3-6.9177.2-123.478000113.1L222 G228L222-L226 WeakPolarHBondContact O-CB 3.29Å; L222-L226 PolarHBondContact O-N 3.37Å; L226-G228 PolarHBondContact O-N 3.16Å
227N56.8Low56.6Low116 Ų116116.5 Ų116.562%0.6260%0.602SS**G310 helixtrans-75.80.3-176.1-10525.8000114.1R223 L225 Q229R223-N227 WeakPolarHBondContact O-CB 3.36Å; R223-N227 PolarHBondContact O-N 3.2Å; R223-N227 PolarHBondContact O-OD1 3.15Å; L225-N227 VanDerWaalsContact C-N 3.3Å; N227-Q229 VanDerWaalsContact C-N 3.29Å; N227-Q229 PolarHBondContact O-N 2.76Å
228G54.8Low56.3Low76 Ų76125.6 Ų125.678%0.78463%0.634SS**G310 helixtrans-73.6-9.7172.500000115.5L226L226-G228 PolarHBondContact O-N 3.16Å
229Q57.5Low56.1Low155 Ų155127.2 Ų127.272%0.72465%0.647SS**G310 helixtrans-131.425.2-174.7-67.7-170.3-13.200115N227 Y231N227-Q229 VanDerWaalsContact C-N 3.29Å; N227-Q229 PolarHBondContact O-N 2.76Å; Q229-Y231 WeakPolarHBondContact O-CD2 3.17Å; Q229-Y231 PolarHBondContact O-N 2.96Å; Q229-Y231 VanDerWaalsContact O-N 3.12Å
230C50.4Low56.1Low87 Ų87135.8 Ų135.859%0.58867%0.674SS**  trans-79.795170.4-165.80000110.3Y232C230-Y232 PolarHBondContact O-N 3.46Å
231Y52.8Low56.1Low210 Ų210138.3 Ų138.382%0.82470%0.695SS**  trans-70.7-1.1173.2-70.4-82.6000114Q229 K233Q229-Y231 WeakPolarHBondContact O-CD2 3.17Å; Q229-Y231 PolarHBondContact O-N 2.96Å; Q229-Y231 VanDerWaalsContact O-N 3.12Å; Y231-K233 PolarHBondContact O-N 3.36Å
232Y53.2Low56.1Low182 Ų182138.8 Ų138.871%0.71470%0.704SS**  trans-76.391.4174.2-172.1-103.6000109.7C230 P234C230-Y232 PolarHBondContact O-N 3.46Å; Y232-P234 HydrophobicContact CD1-CG 4.42Å; Y232-P234 HydrophobicContact CE1-CB 3.87Å; Y232-P234 HydrophobicContact CE1-CG 4.09Å; Y232-P234 WeakPolarHBondContact O-CD 3.18Å
233K59.6Low56.2Low190 Ų190139 Ų13983%0.82671%0.712SS**  trans-92.194.1165-67.8-176.1-179.7178.60107.6Y231Y231-K233 PolarHBondContact O-N 3.36Å
234P52.1Low56.4Low77 Ų77141.1 Ų141.150%0.573%0.726SS.*  trans-55.8132.1173.822.1-29.9000108Y232 V236Y232-P234 HydrophobicContact CD1-CG 4.42Å; Y232-P234 HydrophobicContact CE1-CB 3.87Å; Y232-P234 HydrophobicContact CE1-CG 4.09Å; Y232-P234 WeakPolarHBondContact O-CD 3.18Å; P234-V236 PolarHBondContact O-N 3.43Å
235P53.2Low56.6Low114 Ų114143 Ų14374%0.7474%0.741SS**  trans-52.2129.3178.2-26.734.3000109.9E237P235-E237 PolarHBondContact O-N 3.27Å
236V55.4Low56.4Low122 Ų122141.4 Ų141.474%0.73975%0.748SS**  trans-65.787.6171165.70000107.4P234 R238P234-V236 PolarHBondContact O-N 3.43Å; V236-R238 HydrophobicContact CG1-CG 4.07Å; V236-R238 PolarHBondContact O-N 3.26Å
237E53.5Low56.2Low184 Ų184140.3 Ų140.386%0.8675%0.752SS**  trans-68.9101.9162.7-87.5-176.1164.500107.6P235 S239P235-E237 PolarHBondContact O-N 3.27Å; E237-S239 PolarHBondContact O-N 3.17Å; E237-S239 VanDerWaalsContact O-N 3.11Å
238R53.9Low56.3Low219 Ų219142.6 Ų142.683%0.82676%0.762SS**  trans-64.1104.1-176.3-69.8-178.9166.596.7-3.9110.7V236V236-R238 HydrophobicContact CG1-CG 4.07Å; V236-R238 PolarHBondContact O-N 3.26Å
239S53.4Low56.5Low91 Ų91144.5 Ų144.564%0.63676%0.759SS**  trans-76.7118155.2-34.50000107.9E237 S241E237-S239 PolarHBondContact O-N 3.17Å; E237-S239 VanDerWaalsContact O-N 3.11Å; S239-S241 PolarHBondContact O-N 2.9Å
240R59.8Low56.5Low256 Ų256144.5 Ų144.597%0.96676%0.759SS**THydrogen-bonded Turntrans-66.18.5-175.4-67.8-177.2176.1-177-1.3115.2
241S58.4Low57.5Low113 Ų113145.1 Ų145.179%0.7976%0.756SS**THydrogen-bonded Turntrans-123.62.4-168.644.30000115.3S239S239-S241 PolarHBondContact O-N 2.9Å
242A60Low57.9Low74 Ų74140.9 Ų140.961%0.61275%0.747SS**SBendtrans-109.2130.917600000111.6
243P60.8Low58.5Low118 Ų118138.3 Ų138.377%0.76675%0.745SS**  trans-56.6142.5171.5-22.632.9000111.5L245P243-L245 PolarHBondContact O-N 3.03Å
244K61.3Low59Low217 Ų217130.6 Ų130.694%0.94372%0.719SS**  trans-63.5102.4-177.4-66.8176.4-178.6174.20110.3G246K244-G246 PolarHBondContact O-N 2.86Å
245L59.2Low59.5Low172 Ų172131.4 Ų131.490%0.90172%0.716SS**  trans-75.4115164.1-66.7173.7000107.8P243P243-L245 PolarHBondContact O-N 3.03Å
246G58.4Low60Low64 Ų64132.1 Ų132.166%0.6671%0.71SS**  trans-68.2156171.600000111K244 I248K244-G246 PolarHBondContact O-N 2.86Å; G246-I248 PolarHBondContact O-N 3.39Å
247S56.7Low60.4Low110 Ų110133.6 Ų133.677%0.76971%0.709SS**  trans-60.3122.2167.150.30000108.7T249S247-T249 PolarHBondContact O-N 3.44Å; S247-T249 VanDerWaalsContact O-N 3.13Å
248I57.6Low60.9Low164 Ų164131.4 Ų131.484%0.84170%0.699SS**  trans-67.8110169.1-57.6171.8000105.6G246G246-I248 PolarHBondContact O-N 3.39Å
249T58.7Low61.4Low115 Ų115127.4 Ų127.471%0.70669%0.689SS**  trans-74.1123.7170.146.70000107.4S247 D251S247-T249 PolarHBondContact O-N 3.44Å; S247-T249 VanDerWaalsContact O-N 3.13Å; T249-D251 PolarHBondContact O-N 3.19Å
250E57.9Low62.1Low156 Ų156130.8 Ų130.873%0.72969%0.693SS**  trans-63.6115.8172.4-63178.4162.800107.6L252E250-L252 PolarHBondContact O-N 3.36Å
251D72.8Confident62.3Low99 Ų99121.3 Ų121.353%0.52967%0.669SS.*  trans-85.684.6178.4-177.79.3000108.7T249 L253 G254 E255T249-D251 PolarHBondContact O-N 3.19Å; D251-L253 PolarHBondContact O-N 3.47Å; D251-L253 VanDerWaalsContact O-N 3.14Å; D251-L253 PolarHBondContact OD1-N 3.37Å; D251-G254 PolarHBondContact O-N 3.03Å; D251-G254 VanDerWaalsContact O-N 3.08Å; D251-G254 PolarHBondContact OD1-N 2.84Å; D251-E255 PolarHBondContact O-N 2.87Å
252L61.2Low62.2Low121 Ų121121.8 Ų121.863%0.63466%0.66SS**Hα-helixtrans-55.8-30-177.6-64.6170.1000112.8E250 E256E250-L252 PolarHBondContact O-N 3.36Å; L252-E256 PolarHBondContact O-N 3Å
253L65.3Low61.8Low128 Ų128123.7 Ų123.767%0.6766%0.656SS**Hα-helixtrans-75.8-39.7178.8-66.3175.2000111.4D251 E255 E257D251-L253 PolarHBondContact O-N 3.47Å; D251-L253 VanDerWaalsContact O-N 3.14Å; D251-L253 PolarHBondContact OD1-N 3.37Å; L253-E255 VanDerWaalsContact C-N 3.34Å; L253-E257 WeakPolarHBondContact O-CB 3.43Å; L253-E257 PolarHBondContact O-N 3.2Å; L253-E257 VanDerWaalsContact O-N 3.09Å
254G69.8Low60.9Low28 Ų28124.6 Ų124.629%0.28965%0.648SS.*Hα-helixtrans-64.6-38.1173.200000112.4D251 E257 E258D251-G254 PolarHBondContact O-N 3.03Å; D251-G254 VanDerWaalsContact O-N 3.08Å; D251-G254 PolarHBondContact OD1-N 2.84Å; G254-E257 PolarHBondContact O-N 2.91Å; G254-E258 WeakPolarHBondContact O-CB 3.28Å; G254-E258 PolarHBondContact O-N 2.91Å
255E62.3Low60.4Low94 Ų94121.2 Ų121.244%0.43964%0.636SS.*Hα-helixtrans-68.9-42.5176.5-69.3-178.9175.700112.3D251 L253 E257 E258 E259D251-E255 PolarHBondContact O-N 2.87Å; L253-E255 VanDerWaalsContact C-N 3.34Å; E255-E257 VanDerWaalsContact C-N 3.31Å; E255-E257 PolarHBondContact O-N 2.74Å; E255-E258 PolarHBondContact O-N 2.78Å; E255-E259 WeakPolarHBondContact O-CB 3.45Å; E255-E259 WeakPolarHBondContact O-CG 3.5Å; E255-E259 PolarHBondContact O-N 3.47Å
256E63.3Low59.8Low130 Ų130116.9 Ų116.961%0.60762%0.619SS**Hα-helixtrans-62.2-37.6174-88-174.1169.200112.3L252 K260L252-E256 PolarHBondContact O-N 3Å; E256-K260 VanDerWaalsContact O-CB 3.24Å; E256-K260 WeakPolarHBondContact O-CB 3.25Å; E256-K260 PolarHBondContact O-N 3.12Å
257E64.4Low59.1Low152 Ų152118.2 Ų118.271%0.7161%0.608SS**Hα-helixtrans-70.9-36.1178.7-156.5167-148.400111.5L253 G254 E255 A261L253-E257 WeakPolarHBondContact O-CB 3.43Å; L253-E257 PolarHBondContact O-N 3.2Å; L253-E257 VanDerWaalsContact O-N 3.09Å; G254-E257 PolarHBondContact O-N 2.91Å; E255-E257 VanDerWaalsContact C-N 3.31Å; E255-E257 PolarHBondContact O-N 2.74Å; E257-A261 WeakPolarHBondContact O-CB 3.33Å; E257-A261 PolarHBondContact O-N 3.03Å
258E64.8Low58.2Low139 Ų139118.5 Ų118.565%0.6560%0.601SS**Hα-helixtrans-70.2-38.8173.4-138.2177.1-163.200112.1G254 E255 A261 M262G254-E258 WeakPolarHBondContact O-CB 3.28Å; G254-E258 PolarHBondContact O-N 2.91Å; E255-E258 PolarHBondContact O-N 2.78Å; E258-A261 PolarHBondContact O-N 2.85Å; E258-M262 PolarHBondContact O-N 2.85Å
259E64.4Low58Low134 Ų134117.1 Ų117.163%0.62659%0.594SS**Hα-helixtrans-65.5-41.1173.1-78.7-170.3165.100111.8E255 M262 H263E255-E259 WeakPolarHBondContact O-CB 3.45Å; E255-E259 WeakPolarHBondContact O-CG 3.5Å; E255-E259 PolarHBondContact O-N 3.47Å; E259-M262 PolarHBondContact O-N 3.1Å; E259-H263 PolarHBondContact O-N 2.91Å
260K66.8Low57.6Low163 Ų163117.8 Ų117.871%0.70959%0.593SS**Hα-helixtrans-69.2-35.6177.7-158.2171.2-168.8172.50112E256 H263 F264E256-K260 VanDerWaalsContact O-CB 3.24Å; E256-K260 WeakPolarHBondContact O-CB 3.25Å; E256-K260 PolarHBondContact O-N 3.12Å; K260-H263 PolarHBondContact O-N 2.9Å; K260-F264 PolarHBondContact O-N 2.95Å; K260-F264 VanDerWaalsContact O-N 3.1Å
261A64.5Low56.9Low56 Ų56116.8 Ų116.846%0.46359%0.592SS.*Hα-helixtrans-65.1-41.4171.200000111.8E257 E258 F264 E265E257-A261 WeakPolarHBondContact O-CB 3.33Å; E257-A261 PolarHBondContact O-N 3.03Å; E258-A261 PolarHBondContact O-N 2.85Å; A261-F264 PolarHBondContact O-N 2.96Å; A261-E265 PolarHBondContact O-N 2.8Å; A261-E265 VanDerWaalsContact O-N 3.16Å
262M55.5Low55.8Low124 Ų124117.3 Ų117.361%0.61160%0.599SS**Hα-helixtrans-66.8-34.8174-88.4-159.2-69.400113.4E258 E259 C266E258-M262 PolarHBondContact O-N 2.85Å; E259-M262 PolarHBondContact O-N 3.1Å; M262-C266 PolarHBondContact O-N 3.27Å
263H52.7Low54.8Low114 Ų114118.4 Ų118.453%0.52861%0.606SS.*Hα-helixtrans-65.2-44.8176.1-166.7-81.8000111.1E259 K260 E265 C266 E267E259-H263 PolarHBondContact O-N 2.91Å; K260-H263 PolarHBondContact O-N 2.9Å; H263-E265 PolarHBondContact O-N 3.42Å; H263-C266 PolarHBondContact O-N 3.1Å; H263-C266 VanDerWaalsContact O-N 3.09Å; H263-E267 IonicContact CE1-OE1 3.18Å; H263-E267 IonicContact CE1-OE2 3.27Å; H263-E267 PolarHBondContact CE1-OE2 3.26Å; H263-E267 IonicContact ND1-OE2 2.78Å; H263-E267 PolarHBondContact ND1-OE2 3.17Å; H263-E267 PolarHBondContact O-N 3.49Å; H263-E267 VanDerWaalsContact O-N 3.1Å
264F41.4Very low54.2Low136 Ų136120.1 Ų120.160%0.59662%0.615SS**Hα-helixtrans-64.4-36.9179.3-161.8-96.1000112.6K260 A261 C266 D268K260-F264 PolarHBondContact O-N 2.95Å; K260-F264 VanDerWaalsContact O-N 3.1Å; A261-F264 PolarHBondContact O-N 2.96Å; F264-C266 VanDerWaalsContact C-N 3.25Å; F264-C266 PolarHBondContact O-N 3.4Å; F264-D268 PolarHBondContact O-N 2.94Å
265E50Low52.9Low146 Ų146126.3 Ų126.368%0.68264%0.642SS**Hα-helixtrans-67.6-22.2173.7-73.6-168.3166.800113.8A261 H263A261-E265 PolarHBondContact O-N 2.8Å; A261-E265 VanDerWaalsContact O-N 3.16Å; H263-E265 PolarHBondContact O-N 3.42Å
266C47Very low51.9Low81 Ų81127.5 Ų127.555%0.54766%0.659SS.*Hα-helixtrans-88.6-31.9-179.9-139.30000112.2M262 H263 F264M262-C266 PolarHBondContact O-N 3.27Å; H263-C266 PolarHBondContact O-N 3.1Å; H263-C266 VanDerWaalsContact O-N 3.09Å; F264-C266 VanDerWaalsContact C-N 3.25Å; F264-C266 PolarHBondContact O-N 3.4Å
267E43.6Very low51Low92 Ų92128 Ų12843%0.4367%0.671SS.*Hα-helixtrans-73.2-38.6179.6-134.7154.2-167.300111.6H263 I269 L270 D271H263-E267 IonicContact CE1-OE1 3.18Å; H263-E267 IonicContact CE1-OE2 3.27Å; H263-E267 PolarHBondContact CE1-OE2 3.26Å; H263-E267 IonicContact ND1-OE2 2.78Å; H263-E267 PolarHBondContact ND1-OE2 3.17Å; H263-E267 PolarHBondContact O-N 3.49Å; H263-E267 VanDerWaalsContact O-N 3.1Å; E267-I269 PolarHBondContact O-N 3.49Å; E267-L270 PolarHBondContact O-N 3.06Å; E267-D271 PolarHBondContact O-N 3.42Å
268D39.3Very low50.1Low117 Ų117123.3 Ų123.363%0.62666%0.663SS**THydrogen-bonded Turntrans-63.7-12.2175.6-98-4.5000114.3F264F264-D268 PolarHBondContact O-N 2.94Å
269I52.7Low49.3Very low135 Ų135122 Ų12269%0.69266%0.661SS**THydrogen-bonded Turntrans-90.9-17.1174.8-58.3176000111.5E267E267-I269 PolarHBondContact O-N 3.49Å
270L49.5Very low48.5Very low129 Ų129117.2 Ų117.268%0.67565%0.647SS**THydrogen-bonded Turntrans-108.5-13.6-170.3-62.5176.8000114.4E267 T272E267-L270 PolarHBondContact O-N 3.06Å; L270-T272 PolarHBondContact O-N 3.32Å
271D44.4Very low47.8Very low134 Ų134117.7 Ų117.772%0.71765%0.649SS**  trans-93.430-175.4-86.4-5.2000115.2E267E267-D271 PolarHBondContact O-N 3.42Å
272T48.8Very low47.4Very low110 Ų110121.4 Ų121.468%0.67566%0.657SS**SBendtrans-120.6102.8164.3-29.20000110.3L270L270-T272 PolarHBondContact O-N 3.32Å
273D41.2Very low47.5Very low145 Ų145121 Ų12178%0.77565%0.654SS**  trans79.881.8161.5-51.9-30.3000118.3D275D273-D275 VanDerWaalsContact C-N 3.3Å; D273-D275 PolarHBondContact O-N 3.4Å; D273-D275 VanDerWaalsContact O-N 3.13Å
274D51.8Low47.5Very low163 Ų163120.6 Ų120.687%0.87266%0.655SS**THydrogen-bonded Turntrans-70.381.6151-164.851.8000109.1
275D43.2Very low48.4Very low159 Ų159117 Ų11785%0.8565%0.646SS**THydrogen-bonded Turntrans-178.536.7151.6-105.4-24.6000115.8D273D273-D275 VanDerWaalsContact C-N 3.3Å; D273-D275 PolarHBondContact O-N 3.4Å; D273-D275 VanDerWaalsContact O-N 3.13Å
276C40.8Very low49Very low119 Ų119115.3 Ų115.380%0.80464%0.639SS**SBendtrans-143.4105.7171.2178.80000113.3
277V43.6Very low49.5Very low141 Ų141115.2 Ų115.286%0.85563%0.632SS**  trans-62.4121.3-168177.30000114.3N279V277-N279 VanDerWaalsContact C-N 3.31Å; V277-N279 PolarHBondContact O-N 3.35Å
278G46.6Very low50.2Low53 Ų53116.4 Ų116.455%0.54664%0.64SS.*SBendtrans74.4-35.8143.600000119.7
279N47.1Very low51.3Low111 Ų111112.5 Ų112.559%0.59462%0.622SS**Hα-helixtrans-83.8-34.5-169.3-157.946.1000113.1V277 K281 Q282 E283V277-N279 VanDerWaalsContact C-N 3.31Å; V277-N279 PolarHBondContact O-N 3.35Å; N279-K281 PolarHBondContact O-N 3.17Å; N279-Q282 PolarHBondContact O-N 3.4Å; N279-E283 PolarHBondContact O-N 3.23Å; N279-E283 VanDerWaalsContact O-N 3.08Å
280G47.1Very low51.6Low34 Ų34110.1 Ų110.135%0.35161%0.611SS.*Hα-helixtrans-67.5-32.3-17800000114.2E283 L284G280-E283 PolarHBondContact O-N 3.27Å; G280-L284 VanDerWaalsContact O-CB 3.29Å; G280-L284 WeakPolarHBondContact O-CB 3.45Å; G280-L284 VanDerWaalsContact O-CG 3.22Å; G280-L284 WeakPolarHBondContact O-CG 3.41Å; G280-L284 PolarHBondContact O-N 3.11Å
281K53.9Low51.9Low172 Ų172109.1 Ų109.175%0.74861%0.605SS**Hα-helixtrans-67.2-37.4176.3-71.8-175.7177.8176.80111.9N279 S285N279-K281 PolarHBondContact O-N 3.17Å; K281-S285 WeakPolarHBondContact O-CB 3.3Å; K281-S285 PolarHBondContact O-N 3.43Å; K281-S285 PolarHBondContact O-OG 2.84Å
282Q55.7Low52.7Low134 Ų134104.7 Ų104.763%0.62659%0.592SS**Hα-helixtrans-70.1-44.3175.6-67.1-177.11.300110.7N279 S285 Q286N279-Q282 PolarHBondContact O-N 3.4Å; Q282-S285 WeakPolarHBondContact CA-OG 3.31Å; Q282-S285 PolarHBondContact O-N 2.84Å; Q282-S285 PolarHBondContact O-OG 2.86Å; Q282-Q286 WeakPolarHBondContact O-CB 3.26Å; Q282-Q286 PolarHBondContact O-N 2.93Å
283E57.2Low53.9Low117 Ų117104 Ų10455%0.54758%0.581SS.*Hα-helixtrans-62.5-45.5177.5-168.6171.7-168.900112.4N279 G280 Q286 I287N279-E283 PolarHBondContact O-N 3.23Å; N279-E283 VanDerWaalsContact O-N 3.08Å; G280-E283 PolarHBondContact O-N 3.27Å; E283-Q286 WeakPolarHBondContact O-CB 3.16Å; E283-Q286 PolarHBondContact O-N 2.79Å; E283-I287 HydrophobicContact CG-CD1 4.08Å; E283-I287 WeakPolarHBondContact O-CD1 3.38Å; E283-I287 WeakPolarHBondContact O-CG1 3.18Å; E283-I287 PolarHBondContact O-N 3.45Å
284L52Low55.9Low105 Ų10597.8 Ų97.855%0.5555%0.547SS..Hα-helixtrans-64.8-39.6173.7-70172.9000111.9G280 Q286 I287 I288G280-L284 VanDerWaalsContact O-CB 3.29Å; G280-L284 WeakPolarHBondContact O-CB 3.45Å; G280-L284 VanDerWaalsContact O-CG 3.22Å; G280-L284 WeakPolarHBondContact O-CG 3.41Å; G280-L284 PolarHBondContact O-N 3.11Å; L284-Q286 VanDerWaalsContact C-N 3.26Å; L284-Q286 PolarHBondContact O-N 2.85Å; L284-I287 PolarHBondContact O-N 2.77Å; L284-I288 WeakPolarHBondContact O-CB 3.47Å; L284-I288 WeakPolarHBondContact O-CD1 3.24Å; L284-I288 WeakPolarHBondContact O-CG1 3.17Å; L284-I288 PolarHBondContact O-N 2.92Å
285S61.6Low57.5Low59 Ų5991.6 Ų91.641%0.41352%0.517SS..Hα-helixtrans-64.6-33.2175.276.40000112.5K281 Q282 S289K281-S285 WeakPolarHBondContact O-CB 3.3Å; K281-S285 PolarHBondContact O-N 3.43Å; K281-S285 PolarHBondContact O-OG 2.84Å; Q282-S285 WeakPolarHBondContact CA-OG 3.31Å; Q282-S285 PolarHBondContact O-N 2.84Å; Q282-S285 PolarHBondContact O-OG 2.86Å; S285-S289 VanDerWaalsContact O-CB 3.24Å; S285-S289 WeakPolarHBondContact O-CB 3.21Å; S285-S289 PolarHBondContact O-N 2.87Å; S285-S289 PolarHBondContact O-OG 3.29Å
286Q61.3Low59.6Low111 Ų11185.4 Ų85.452%0.51948%0.483SS..Hα-helixtrans-70.9-46.2175.5-162.765.841.100110.2Q282 E283 L284 I288 S289 D290Q282-Q286 WeakPolarHBondContact O-CB 3.26Å; Q282-Q286 PolarHBondContact O-N 2.93Å; E283-Q286 WeakPolarHBondContact O-CB 3.16Å; E283-Q286 PolarHBondContact O-N 2.79Å; L284-Q286 VanDerWaalsContact C-N 3.26Å; L284-Q286 PolarHBondContact O-N 2.85Å; Q286-I288 PolarHBondContact O-N 3.32Å; Q286-S289 WeakPolarHBondContact O-CB 3.44Å; Q286-S289 PolarHBondContact O-N 2.98Å; Q286-S289 VanDerWaalsContact O-N 3.15Å; Q286-D290 WeakPolarHBondContact O-CB 3.38Å; Q286-D290 PolarHBondContact O-N 3.48Å
287I57.4Low61.6Low79 Ų7981.3 Ų81.341%0.40546%0.461SS..Hα-helixtrans-61.5-43.1175.3-66.9162000111.2E283 L284 S289 D290 L291E283-I287 HydrophobicContact CG-CD1 4.08Å; E283-I287 WeakPolarHBondContact O-CD1 3.38Å; E283-I287 WeakPolarHBondContact O-CG1 3.18Å; E283-I287 PolarHBondContact O-N 3.45Å; L284-I287 PolarHBondContact O-N 2.77Å; I287-S289 VanDerWaalsContact C-N 3.33Å; I287-D290 PolarHBondContact O-N 3.14Å; I287-L291 HydrophobicContact CG2-CD1 3.88Å; I287-L291 HydrophobicContact CG2-CG 4.39Å; I287-L291 WeakPolarHBondContact O-CB 3.45Å; I287-L291 WeakPolarHBondContact O-CG 3.45Å; I287-L291 PolarHBondContact O-N 2.79Å
288I59.6Low63.7Low117 Ų11775.8 Ų75.860%0.643%0.427SS*.Hα-helixtrans-64.9-39.4175.9-68.5163.3000110.6L284 Q286 G292L284-I288 WeakPolarHBondContact O-CB 3.47Å; L284-I288 WeakPolarHBondContact O-CD1 3.24Å; L284-I288 WeakPolarHBondContact O-CG1 3.17Å; L284-I288 PolarHBondContact O-N 2.92Å; Q286-I288 PolarHBondContact O-N 3.32Å; I288-G292 PolarHBondContact O-N 3.37Å
289S61.5Low65.7Low36 Ų3677.5 Ų77.525%0.25242%0.424SS..Hα-helixtrans-63.7-44.1175.2-66.50000111.6S285 Q286 I287 G292 E293S285-S289 VanDerWaalsContact O-CB 3.24Å; S285-S289 WeakPolarHBondContact O-CB 3.21Å; S285-S289 PolarHBondContact O-N 2.87Å; S285-S289 PolarHBondContact O-OG 3.29Å; Q286-S289 WeakPolarHBondContact O-CB 3.44Å; Q286-S289 PolarHBondContact O-N 2.98Å; Q286-S289 VanDerWaalsContact O-N 3.15Å; I287-S289 VanDerWaalsContact C-N 3.33Å; S289-G292 PolarHBondContact O-N 3.29Å; S289-E293 PolarHBondContact O-N 3.16Å; S289-E293 VanDerWaalsContact O-N 3.16Å
290D59.7Low67.6Low84 Ų8473.2 Ų73.245%0.44940%0.401SS..Hα-helixtrans-72.2-31.9-178.9-66.2-9.8000112K81 Q286 I287K81-D290 PolarHBondContact NZ-O 3.2Å; Q286-D290 WeakPolarHBondContact O-CB 3.38Å; Q286-D290 PolarHBondContact O-N 3.48Å; I287-D290 PolarHBondContact O-N 3.14Å
291L55.9Low69.4Low108 Ų10877.9 Ų77.957%0.56541%0.414SS*.Hα-helixtrans-69.5-35.9172-75.3170.1000111.8I287I287-L291 HydrophobicContact CG2-CD1 3.88Å; I287-L291 HydrophobicContact CG2-CG 4.39Å; I287-L291 WeakPolarHBondContact O-CB 3.45Å; I287-L291 WeakPolarHBondContact O-CG 3.45Å; I287-L291 PolarHBondContact O-N 2.79Å
292G60.8Low71Confident42 Ų4273.9 Ų73.943%0.43340%0.404SS..Hα-helixtrans-74.2-24.3179.100000114.7I288 S289 M294I288-G292 PolarHBondContact O-N 3.37Å; S289-G292 PolarHBondContact O-N 3.29Å; G292-M294 PolarHBondContact O-N 3.31Å
293E74.6Confident72.5Confident96 Ų9667.9 Ų67.945%0.44938%0.376SS..SBendtrans-81.3111.1-178.8-76.3-178.4-163.300111.9K81 L192 K196 S289 S295K81-E293 PolarHBondContact NZ-O 2.89Å; L192-E293 HydrophobicContact CD2-CB 4.38Å; L192-E293 HydrophobicContact CD2-CG 3.35Å; K196-E293 IonicContact NZ-OE1 2.97Å; K196-E293 PolarHBondContact NZ-OE1 3.08Å; S289-E293 PolarHBondContact O-N 3.16Å; S289-E293 VanDerWaalsContact O-N 3.16Å; E293-S295 PolarHBondContact O-N 2.78Å
294M82.6Confident73.9Confident14 Ų1466.8 Ų66.87%0.06937%0.37CS..  trans-65.4129.5171.9-175.1176.57200109.6I136 C139 L184 Y185 S188 G292I136-M294 HydrophobicContact CB-SD 4.07Å; I136-M294 HydrophobicContact CG2-CG 4.41Å; I136-M294 HydrophobicContact CG2-SD 3.49Å; I136-M294 WeakPolarHBondContact CG2-SD 3.49Å; C139-M294 HydrophobicContact CB-CE 4.48Å; C139-M294 HydrophobicContact CB-SD 4.39Å; L184-M294 HydrophobicContact CB-CE 4.39Å; L184-M294 HydrophobicContact CD2-CE 4.28Å; L184-M294 HydrophobicContact CD2-SD 4.26Å; L184-M294 HydrophobicContact CG-CE 3.74Å; L184-M294 HydrophobicContact CG-SD 4.19Å; L184-M294 WeakPolarHBondContact O-CE 3.39Å; Y185-M294 VanDerWaalsContact CA-CE 3.43Å; S188-M294 WeakPolarHBondContact OG-CE 3.37Å; G292-M294 PolarHBondContact O-N 3.31Å
295S84.5Confident75.5Confident32 Ų3265.3 Ų65.322%0.22437%0.373CS..EExtended strand (participates in β ladder)trans-91.3151177.152.40000111.1K81 T137 Y138 C139 E293K81-S295 WeakPolarHBondContact CB-OG 3.26Å; K81-S295 WeakPolarHBondContact CD-OG 3.41Å; K81-S295 WeakPolarHBondContact CG-OG 3.46Å; T137-S295 PolarHBondContact O-N 2.81Å; T137-S295 PolarHBondContact O-OG 3.4Å; Y138-S295 VanDerWaalsContact CA-O 3.29Å; Y138-S295 WeakPolarHBondContact CA-O 3.5Å; Y138-S295 WeakPolarHBondContact CD2-O 3.24Å; Y138-S295 WeakPolarHBondContact CD2-OG 3.45Å; C139-S295 PolarHBondContact N-O 3.22Å; C139-S295 VanDerWaalsContact N-O 3.08Å; E293-S295 PolarHBondContact O-N 2.78Å
296I88.5Confident76.8Confident29 Ų2964 Ų6415%0.14936%0.361CS..EExtended strand (participates in β ladder)trans-121.8131.9178-177166.5000109.2C139 A181 Y185 N298 V300 L303C139-I296 WeakPolarHBondContact O-CA 3.27Å; A181-I296 HydrophobicContact CB-CD1 4.41Å; Y185-I296 HydrophobicContact CD1-CG2 4.42Å; Y185-I296 HydrophobicContact CD2-CB 3.84Å; Y185-I296 HydrophobicContact CD2-CG2 3.69Å; Y185-I296 HydrophobicContact CE1-CG2 4.48Å; Y185-I296 HydrophobicContact CE2-CB 4.35Å; Y185-I296 HydrophobicContact CE2-CG2 3.76Å; Y185-I296 HydrophobicContact CG-CB 4.18Å; Y185-I296 HydrophobicContact CG-CD1 4.14Å; Y185-I296 HydrophobicContact CG-CG2 4.04Å; I296-N298 HydrophobicContact CD1-CB 4.43Å; I296-N298 HydrophobicContact CG1-CB 4.18Å; I296-N298 PolarHBondContact O-N 3.32Å; I296-V300 HydrophobicContact CG2-CG2 3.35Å; I296-L303 HydrophobicContact CD1-CD1 3.97Å
297G83.1Confident77.8Confident33 Ų3365.3 Ų65.334%0.3437%0.371SS..SBendtrans-77.3-7.3-178.800000115.6Y138 C139Y138-G297 VanDerWaalsContact CE2-CA 3.45Å; Y138-G297 WeakPolarHBondContact OH-CA 3.48Å; C139-G297 PolarHBondContact O-N 3.14Å
298N86.4Confident79.1Confident26 Ų2667.6 Ų67.614%0.13937%0.374CS..SBendtrans-107.6150.2-177.3-59.795000109.5V140 A141 I296 V300 L303V140-N298 WeakPolarHBondContact CA-OD1 3.5Å; V140-N298 WeakPolarHBondContact CG2-OD1 3.44Å; A141-N298 PolarHBondContact N-OD1 2.8Å; A141-N298 PolarHBondContact O-ND2 2.89Å; I296-N298 HydrophobicContact CD1-CB 4.43Å; I296-N298 HydrophobicContact CG1-CB 4.18Å; I296-N298 PolarHBondContact O-N 3.32Å; N298-V300 PolarHBondContact O-N 3.41Å; N298-V300 VanDerWaalsContact O-N 3.09Å; N298-L303 HydrophobicContact CB-CD1 3.5Å; N298-L303 VanDerWaalsContact CB-CD1 3.5Å; N298-L303 HydrophobicContact CB-CG 4.15Å
299D88.4Confident80.3Confident89 Ų8962 Ų6248%0.47635%0.346SS..  trans-64.9114.1169.9175.232.5000110.7Q301 T302 L303D299-Q301 VanDerWaalsContact C-N 3.26Å; D299-Q301 PolarHBondContact O-N 2.85Å; D299-Q301 PolarHBondContact OD1-N 2.79Å; D299-Q301 VanDerWaalsContact OD1-N 3.12Å; D299-T302 PolarHBondContact O-N 3.22Å; D299-T302 WeakPolarHBondContact OD2-CB 3.38Å; D299-T302 PolarHBondContact OD2-N 3.35Å; D299-T302 PolarHBondContact OD2-OG1 2.77Å; D299-L303 WeakPolarHBondContact O-CG 3.11Å; D299-L303 PolarHBondContact O-N 3.28Å
300V86.8Confident81.4Confident21 Ų2162.3 Ų62.313%0.12735%0.346CS..Hα-helixtrans-62.3-35.5-178.9179.30000111.1L182 Y185 I296 N298 L303 K304L182-V300 HydrophobicContact CD1-CG1 4.26Å; Y185-V300 HydrophobicContact CD1-CG1 4.3Å; Y185-V300 HydrophobicContact CD1-CG2 4.12Å; Y185-V300 HydrophobicContact CE1-CG1 3.94Å; Y185-V300 HydrophobicContact CE1-CG2 3.74Å; I296-V300 HydrophobicContact CG2-CG2 3.35Å; N298-V300 PolarHBondContact O-N 3.41Å; N298-V300 VanDerWaalsContact O-N 3.09Å; V300-L303 PolarHBondContact O-N 3.24Å; V300-K304 HydrophobicContact CG1-CD 3.93Å; V300-K304 VanDerWaalsContact CG1-CE 3.48Å; V300-K304 HydrophobicContact CG1-CG 4.36Å; V300-K304 WeakPolarHBondContact O-CB 3.45Å; V300-K304 VanDerWaalsContact O-CG 3.27Å; V300-K304 WeakPolarHBondContact O-CG 3.39Å; V300-K304 PolarHBondContact O-N 3.5Å
301Q85.8Confident82.6Confident131 Ų13165 Ų6561%0.61235%0.35SS*.Hα-helixtrans-69.5-47-178.4-62-60.3-14.700110.7D299 L303 K304 A305D299-Q301 VanDerWaalsContact C-N 3.26Å; D299-Q301 PolarHBondContact O-N 2.85Å; D299-Q301 PolarHBondContact OD1-N 2.79Å; D299-Q301 VanDerWaalsContact OD1-N 3.12Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; Q301-L303 PolarHBondContact O-N 3.21Å; Q301-K304 PolarHBondContact O-N 3.5Å; Q301-A305 WeakPolarHBondContact O-CB 3.42Å; Q301-A305 PolarHBondContact O-N 3.11Å
302T87.5Confident83.9Confident89 Ų8961.9 Ų61.955%0.54633%0.334SS..Hα-helixtrans-57.6-43.6173.4-63.60000111.9D299 K304 A305 D306D299-T302 PolarHBondContact O-N 3.22Å; D299-T302 WeakPolarHBondContact OD2-CB 3.38Å; D299-T302 PolarHBondContact OD2-N 3.35Å; D299-T302 PolarHBondContact OD2-OG1 2.77Å; T302-K304 PolarHBondContact O-N 3.43Å; T302-A305 PolarHBondContact O-N 3.27Å; T302-D306 PolarHBondContact O-N 3.21Å
303L87Confident84.9Confident7 Ų762.4 Ų62.44%0.03733%0.326CS..Hα-helixtrans-65.2-37.7177.9-73.6-178.5000113.1K178 L182 I296 N298 D299 V300 Q301K178-L303 HydrophobicContact CB-CD2 3.67Å; K178-L303 HydrophobicContact CD-CD2 3.89Å; K178-L303 HydrophobicContact CG-CD2 3.84Å; L182-L303 HydrophobicContact CB-CB 4.39Å; L182-L303 HydrophobicContact CB-CD1 4.27Å; L182-L303 HydrophobicContact CD1-CB 4.17Å; L182-L303 HydrophobicContact CD2-CB 4.15Å; L182-L303 HydrophobicContact CG-CB 4.47Å; I296-L303 HydrophobicContact CD1-CD1 3.97Å; N298-L303 HydrophobicContact CB-CD1 3.5Å; N298-L303 VanDerWaalsContact CB-CD1 3.5Å; N298-L303 HydrophobicContact CB-CG 4.15Å; D299-L303 WeakPolarHBondContact O-CG 3.11Å; D299-L303 PolarHBondContact O-N 3.28Å; V300-L303 PolarHBondContact O-N 3.24Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; Q301-L303 PolarHBondContact O-N 3.21Å
304K86.6Confident85Confident95 Ų9562.3 Ų62.341%0.41334%0.336SS..Hα-helixtrans-71.9-29.8175.5-74.7174.91791740112.6L182 V300 Q301 T302 T310L182-K304 HydrophobicContact CD1-CG 4.01Å; L182-K304 HydrophobicContact CD2-CG 4.13Å; V300-K304 HydrophobicContact CG1-CD 3.93Å; V300-K304 VanDerWaalsContact CG1-CE 3.48Å; V300-K304 HydrophobicContact CG1-CG 4.36Å; V300-K304 WeakPolarHBondContact O-CB 3.45Å; V300-K304 VanDerWaalsContact O-CG 3.27Å; V300-K304 WeakPolarHBondContact O-CG 3.39Å; V300-K304 PolarHBondContact O-N 3.5Å; Q301-K304 PolarHBondContact O-N 3.5Å; T302-K304 PolarHBondContact O-N 3.43Å; K304-T310 WeakPolarHBondContact O-CG2 3.21Å
305A86.7Confident84.2Confident74 Ų7464.8 Ų64.861%0.61237%0.365SS*.Hα-helixtrans-79.4-24.2178.300000113.2Q301 T302 L307Q301-A305 WeakPolarHBondContact O-CB 3.42Å; Q301-A305 PolarHBondContact O-N 3.11Å; T302-A305 PolarHBondContact O-N 3.27Å; A305-L307 PolarHBondContact O-N 2.89Å
306D87.4Confident82.9Confident31 Ų3169.9 Ų69.917%0.16639%0.385CS..  trans-67.7106.5178.3-168.2-26.4000110.7T302 R308 V309 T310T302-D306 PolarHBondContact O-N 3.21Å; D306-R308 PolarHBondContact O-N 2.88Å; D306-R308 VanDerWaalsContact O-N 3.16Å; D306-R308 WeakPolarHBondContact OD1-CB 3.26Å; D306-R308 IonicContact OD1-CZ 3.82Å; D306-R308 PolarHBondContact OD1-N 3.34Å; D306-R308 IonicContact OD1-NE 3.66Å; D306-R308 PolarHBondContact OD1-NE 2.93Å; D306-R308 IonicContact OD1-NH2 3.71Å; D306-R308 IonicContact OD2-CZ 4Å; D306-R308 IonicContact OD2-NE 3.18Å; D306-R308 IonicContact OD2-NH2 3.87Å; D306-R308 PolarHBondContact OD2-NH2 2.8Å; D306-V309 HydrophobicContact CB-CB 4.13Å; D306-V309 HydrophobicContact CB-CG2 3.95Å; D306-V309 WeakPolarHBondContact O-CB 3.48Å; D306-V309 PolarHBondContact O-N 3.06Å; D306-T310 PolarHBondContact O-N 3.12Å; D306-T310 PolarHBondContact O-OG1 3.36Å
307L83.4Confident80.8Confident139 Ų13971.4 Ų71.473%0.72840%0.399SS*.Hα-helixtrans-57.7-28.7-179.8-65.6176.7000113.2A305 T310 R311A305-L307 PolarHBondContact O-N 2.89Å; L307-T310 WeakPolarHBondContact CA-OG1 3.06Å; L307-T310 PolarHBondContact O-OG1 2.86Å; L307-R311 WeakPolarHBondContact O-CB 3.39Å; L307-R311 PolarHBondContact O-N 2.71Å
308R84.3Confident79.1Confident127 Ų12776.3 Ų76.348%0.47942%0.422SS..Hα-helixtrans-72.7-36.6178.9-57.1172.4-63.9174.6-0.7110.8E175 D306 L312E175-R308 HydrophobicContact CB-CB 4.45Å; E175-R308 HydrophobicContact CG-CB 3.92Å; E175-R308 IonicContact OE1-CZ 3.71Å; E175-R308 IonicContact OE1-NH1 3.02Å; E175-R308 PolarHBondContact OE1-NH1 3.11Å; D306-R308 PolarHBondContact O-N 2.88Å; D306-R308 VanDerWaalsContact O-N 3.16Å; D306-R308 WeakPolarHBondContact OD1-CB 3.26Å; D306-R308 IonicContact OD1-CZ 3.82Å; D306-R308 PolarHBondContact OD1-N 3.34Å; D306-R308 IonicContact OD1-NE 3.66Å; D306-R308 PolarHBondContact OD1-NE 2.93Å; D306-R308 IonicContact OD1-NH2 3.71Å; D306-R308 IonicContact OD2-CZ 4Å; D306-R308 IonicContact OD2-NE 3.18Å; D306-R308 IonicContact OD2-NH2 3.87Å; D306-R308 PolarHBondContact OD2-NH2 2.8Å; R308-L312 VanDerWaalsContact O-CG 3.3Å; R308-L312 WeakPolarHBondContact O-CG 3.34Å; R308-L312 PolarHBondContact O-N 3.37Å
309V84.3Confident76.8Confident0 Ų078.6 Ų78.60%045%0.452CS..Hα-helixtrans-69.5-48.9176.3171.30000109.8K178 A179 L182 D306 R311 L312 L313K178-V309 HydrophobicContact CB-CG2 3.79Å; K178-V309 HydrophobicContact CD-CG2 4.5Å; A179-V309 HydrophobicContact CB-CG1 3.9Å; L182-V309 HydrophobicContact CD2-CG1 3.91Å; D306-V309 HydrophobicContact CB-CB 4.13Å; D306-V309 HydrophobicContact CB-CG2 3.95Å; D306-V309 WeakPolarHBondContact O-CB 3.48Å; D306-V309 PolarHBondContact O-N 3.06Å; V309-R311 PolarHBondContact O-N 2.98Å; V309-L312 WeakPolarHBondContact O-CB 3.49Å; V309-L312 PolarHBondContact O-N 3.38Å; V309-L313 HydrophobicContact CG1-CD1 4.35Å; V309-L313 WeakPolarHBondContact O-CG 3.36Å; V309-L313 PolarHBondContact O-N 3.11Å; V309-L313 VanDerWaalsContact O-N 3.15Å
310T84.1Confident74.3Confident42 Ų4279 Ų7926%0.25846%0.462SS..Hα-helixtrans-66.2-35.8-179.355.80000112.8K304 D306 L307 L312 L313 S314K304-T310 WeakPolarHBondContact O-CG2 3.21Å; D306-T310 PolarHBondContact O-N 3.12Å; D306-T310 PolarHBondContact O-OG1 3.36Å; L307-T310 WeakPolarHBondContact CA-OG1 3.06Å; L307-T310 PolarHBondContact O-OG1 2.86Å; T310-L312 VanDerWaalsContact C-N 3.34Å; T310-L312 PolarHBondContact O-N 2.99Å; T310-L313 PolarHBondContact O-N 3.31Å; T310-S314 WeakPolarHBondContact O-CB 3.48Å; T310-S314 PolarHBondContact O-N 3.48Å; T310-S314 PolarHBondContact O-OG 2.73Å
311R84.9Confident72.2Confident140 Ų14086.6 Ų86.653%0.52850%0.496SS..Hα-helixtrans-61.4-40.1173-174.4-179.4-90.5149.20.9112.4L307 V309 L313 S314 E316L307-R311 WeakPolarHBondContact O-CB 3.39Å; L307-R311 PolarHBondContact O-N 2.71Å; V309-R311 PolarHBondContact O-N 2.98Å; R311-L313 VanDerWaalsContact C-N 3.35Å; R311-S314 PolarHBondContact O-N 3.46Å; R311-E316 HydrophobicContact CG-CB 3.93Å; R311-E316 IonicContact CZ-OE1 2.63Å; R311-E316 IonicContact NE-OE1 3.69Å; R311-E316 PolarHBondContact NE-OE1 3.21Å; R311-E316 IonicContact NH2-OE1 3.06Å
312L83.2Confident70Confident43 Ų4384.5 Ų84.523%0.22550%0.496CS..Hα-helixtrans-65.8-37.3176.5-72.8171.7000112.2E175 K176 A179 R308 V309 T310E175-L312 HydrophobicContact CB-CD1 3.84Å; K176-L312 HydrophobicContact CG-CD1 3.99Å; A179-L312 HydrophobicContact CB-CB 4.35Å; A179-L312 HydrophobicContact CB-CD1 4.4Å; R308-L312 VanDerWaalsContact O-CG 3.3Å; R308-L312 WeakPolarHBondContact O-CG 3.34Å; R308-L312 PolarHBondContact O-N 3.37Å; V309-L312 WeakPolarHBondContact O-CB 3.49Å; V309-L312 PolarHBondContact O-N 3.38Å; T310-L312 VanDerWaalsContact C-N 3.34Å; T310-L312 PolarHBondContact O-N 2.99Å
313L82.8Confident67.7Low53 Ų5384.8 Ų84.828%0.27750%0.501SS..Hα-helixtrans-73.5-28.5176.7-62.5178.5000112.8A179 L182 L183 V309 T310 R311 G315A179-L313 HydrophobicContact CB-CD2 4.07Å; A179-L313 HydrophobicContact CB-CG 4.31Å; L182-L313 HydrophobicContact CD2-CD1 3.88Å; L182-L313 HydrophobicContact CG-CD1 4.33Å; L183-L313 HydrophobicContact CB-CD2 3.84Å; L183-L313 HydrophobicContact CD1-CD2 4.33Å; L183-L313 HydrophobicContact CD2-CD2 4.35Å; L183-L313 HydrophobicContact CG-CD2 4.39Å; V309-L313 HydrophobicContact CG1-CD1 4.35Å; V309-L313 WeakPolarHBondContact O-CG 3.36Å; V309-L313 PolarHBondContact O-N 3.11Å; V309-L313 VanDerWaalsContact O-N 3.15Å; T310-L313 PolarHBondContact O-N 3.31Å; R311-L313 VanDerWaalsContact C-N 3.35Å; L313-G315 VanDerWaalsContact C-N 3.27Å; L313-G315 PolarHBondContact O-N 2.91Å
314S77Confident65.7Low94 Ų9490.3 Ų90.366%0.65753%0.53SS*.THydrogen-bonded Turntrans-80.7-2.5-178.8-53.40000113.9T310 R311 E316T310-S314 WeakPolarHBondContact O-CB 3.48Å; T310-S314 PolarHBondContact O-N 3.48Å; T310-S314 PolarHBondContact O-OG 2.73Å; R311-S314 PolarHBondContact O-N 3.46Å; S314-E316 VanDerWaalsContact C-N 3.31Å; S314-E316 PolarHBondContact O-N 3.37Å
315G66.1Low63.3Low65 Ų6593.9 Ų93.967%0.6755%0.548SS*.THydrogen-bonded Turntrans76.410.417800000115.1L313 S317L313-G315 VanDerWaalsContact C-N 3.27Å; L313-G315 PolarHBondContact O-N 2.91Å; G315-S317 VanDerWaalsContact C-N 3.25Å; G315-S317 PolarHBondContact O-N 3.25Å
316E57.5Low60.9Low139 Ų13995.2 Ų95.265%0.6555%0.552SS**  trans-78.7-2.2-176.6-165.3177.597.500113.2R311 S314R311-E316 HydrophobicContact CG-CB 3.93Å; R311-E316 IonicContact CZ-OE1 2.63Å; R311-E316 IonicContact NE-OE1 3.69Å; R311-E316 PolarHBondContact NE-OE1 3.21Å; R311-E316 IonicContact NH2-OE1 3.06Å; S314-E316 VanDerWaalsContact C-N 3.31Å; S314-E316 PolarHBondContact O-N 3.37Å
317S43.8Very low58.4Low62 Ų62101.4 Ų101.443%0.43459%0.586SS.*  trans-152.484.4-172.7-177.50000114.8G315G315-S317 VanDerWaalsContact C-N 3.25Å; G315-S317 PolarHBondContact O-N 3.25Å
318T46.7Very low56.1Low135 Ų135103.4 Ų103.483%0.82859%0.591SS**  trans-139.846.8152.463.20000111.9S320T318-S320 VanDerWaalsContact C-N 3.27Å; T318-S320 PolarHBondContact O-N 3.38Å
319G38.2Very low53.7Low75 Ų75105.7 Ų105.777%0.77361%0.608SS**  trans-88.964.1159.100000109.8
320S37Very low51.3Low97 Ų97111.4 Ų111.468%0.67865%0.645SS**  trans-168.488.3167.2-66.50000108.7T318 S322T318-S320 VanDerWaalsContact C-N 3.27Å; T318-S320 PolarHBondContact O-N 3.38Å; S320-S322 PolarHBondContact O-N 3.16Å; S320-S322 VanDerWaalsContact O-N 3.11Å
321E42.1Very low48.9Very low181 Ų181116.7 Ų116.785%0.84667%0.669SS**  trans-42.2107146.453-147.192.900110.3S323E321-S323 PolarHBondContact O-N 3.16Å
322S38.7Very low46.3Very low86 Ų86115.1 Ų115.160%0.60168%0.68SS**  trans-92.387.4169.3630000107.7S320 I324S320-S322 PolarHBondContact O-N 3.16Å; S320-S322 VanDerWaalsContact O-N 3.11Å; S322-I324 PolarHBondContact O-N 3.14Å
323S39.6Very low44Very low96 Ų96119.6 Ų119.667%0.67171%0.709SS**  trans-51116.7163.1-61.80000108.7E321 E325E321-S323 PolarHBondContact O-N 3.16Å; S323-E325 VanDerWaalsContact C-N 3.27Å; S323-E325 PolarHBondContact O-N 3.42Å
324I44.8Very low41.7Very low122 Ų122121.3 Ų121.363%0.62673%0.725SS**  trans-83.385.916162.6108.6000105.1S322S322-I324 PolarHBondContact O-N 3.14Å
325E37.6Very low39.6Very low171 Ų171124.6 Ų124.680%0.79974%0.736SS**  trans-85.5115.5174-157.4161.8-163.100107.5S323 N327S323-E325 VanDerWaalsContact C-N 3.27Å; S323-E325 PolarHBondContact O-N 3.42Å; E325-N327 PolarHBondContact O-N 3.23Å
326S36Very low38Very low101 Ų101124.8 Ų124.871%0.70674%0.737SS**  trans-65.9111.3174-69.50000108.7Q328S326-Q328 VanDerWaalsContact C-N 3.31Å; S326-Q328 PolarHBondContact O-N 2.96Å
327N33.9Very low36.8Very low161 Ų161125.5 Ų125.586%0.86175%0.745SS**  trans-67.393.2160.4-82.6-34.4000108.7E325E325-N327 PolarHBondContact O-N 3.23Å
328Q36.4Very low36.3Very low181 Ų181129.9 Ų129.985%0.84676%0.758SS**  trans-112.8100.6151.2-94.517910.300106.2S326 P330S326-Q328 VanDerWaalsContact C-N 3.31Å; S326-Q328 PolarHBondContact O-N 2.96Å; Q328-P330 VanDerWaalsContact O-CD 3.31Å; Q328-P330 WeakPolarHBondContact O-CD 3.31Å
329E32.6Very low35.7Very low176 Ų176132.4 Ų132.482%0.82276%0.761SS**  trans-70.4122.1162.6-70.8-177.8149.100108.3
330P34.5Very low35.4Very low120 Ų120132.7 Ų132.778%0.77976%0.764SS**  trans-87.1112160.130.6-23000108.2Q328 S332Q328-P330 VanDerWaalsContact O-CD 3.31Å; Q328-P330 WeakPolarHBondContact O-CD 3.31Å; P330-S332 PolarHBondContact O-N 3.47Å
331I32.6Very low35.4Very low152 Ų152137.8 Ų137.878%0.77977%0.774SS**  trans-65.7103.8166.8-64.8166.9000107.4V333I331-V333 HydrophobicContact CG2-CG2 4.11Å; I331-V333 PolarHBondContact O-N 3Å
332S31.9Very low35.1Very low107 Ų107136.3 Ų136.375%0.74877%0.769SS**  trans-70.9113.7166.454.70000109.3P330P330-S332 PolarHBondContact O-N 3.47Å
333V34.3Very low35Very low138 Ų138139.7 Ų139.784%0.83678%0.775SS**  trans-100.9110.4165.5-170.20000107.2I331I331-V333 HydrophobicContact CG2-CG2 4.11Å; I331-V333 PolarHBondContact O-N 3Å
334S34.3Very low34.8Very low89 Ų89142.3 Ų142.362%0.62278%0.777SS**  trans-116.9127.3173.758.40000110.6
335N33.3Very low34.7Very low163 Ų163143 Ų14387%0.87278%0.78SS**  trans64.3130.4155.7-54.4-12.4000116.5
336G31.4Very low35Very low68 Ų68143.6 Ų143.670%0.70180%0.803SS**  cis113.9104.724.400000109
337L32.3Very low35Very low155 Ų155145.7 Ų145.781%0.81281%0.808SS**  trans161.9138.1134.1-114.180.5000114
338E33.5Very low35.1Very low154 Ų154144.9 Ų144.972%0.7281%0.805SS**  trans76.2117.6142.4-78.4-175.5166.500125
339E34.6Very low35Very low187 Ų187142.9 Ų142.987%0.87480%0.803SS**  trans56.4124.7132.5-69.2-164.3150.900122.5
340G32.9Very low35.1Very low82 Ų82140.9 Ų140.985%0.84580%0.802SS**  trans-178.298.9164.400000112.2
341K36.6Very low35.2Very low203 Ų203142.3 Ų142.388%0.88380%0.803SS**  trans-76.6165.7179.5-161.4177.6-175.8-179.80111.8
342M35.8Very low35.3Very low151 Ų151141.6 Ų141.674%0.74481%0.805SS**  trans100.8113.5164-63.5178.680.300115.9
343Q35.7Very low35.6Very low156 Ų156144.1 Ų144.173%0.72981%0.809SS**  70.6119.493-114.4173.3-15.300110
344E34.8Very low35.7Very low152 Ų152144.5 Ų144.571%0.7181%0.807SS**  179.9151.861.5-106.9-174146.200110.4
345I42.8Very low35.8Very low135 Ų135149.2 Ų149.269%0.69282%0.822SS**  trans53.8114137.5-46159.8000118.8
346S45.8Very low36Very low184 Ų184147.9 Ų147.9100%1.28782%0.818SS**  -175.5081.9-156.20000112.7

Retrieved 346 of 346 residues in 1612.7 ms (Link to these results)