A0A087X8C8_POEFO Loading...

Phosducin-like

AlphaFold DB , UniProt , Accession A0A087X8C8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 306 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.1Very low54.7Low240 Ų240133 Ų133100%1.18272%0.719SS**  0115.20-79.5-162.4-89.300107
2T52.8Low53.7Low111 Ų111139.2 Ų139.268%0.68173%0.734SS**  trans-72.7141.8178.631.20000110.6
3T69.3Low53.1Low84 Ų84138.6 Ų138.652%0.51573%0.731SS.*  trans-82.9160.1-174.661.40000110.9D5 D6T3-D5 PolarHBondContact O-N 3.41Å; T3-D6 PolarHBondContact N-OD2 3.26Å; T3-D6 PolarHBondContact O-N 3.25Å; T3-D6 PolarHBondContact OG1-OD2 3.34Å
4L54.5Low52.1Low146 Ų146141.5 Ų141.576%0.76474%0.738SS**THydrogen-bonded Turntrans-62.1-24.6-175.9-85.1161000113.1K7L4-K7 PolarHBondContact O-N 3.34Å
5D56.1Low51.1Low115 Ų115148 Ų14862%0.61575%0.751SS**THydrogen-bonded Turntrans-70.9-32.6177.3-67.4-47.4000112.4T3 K7 L8 L9T3-D5 PolarHBondContact O-N 3.41Å; D5-K7 PolarHBondContact O-N 3.11Å; D5-L8 PolarHBondContact O-N 2.69Å; D5-L8 VanDerWaalsContact O-N 3.15Å; D5-L9 PolarHBondContact O-N 3.38Å
6D59.8Low50.4Low89 Ų89152.7 Ų152.748%0.47676%0.759SS.*THydrogen-bonded Turntrans-65.4-26.7177.9-63.6-35.6000112.6T3T3-D6 PolarHBondContact N-OD2 3.26Å; T3-D6 PolarHBondContact O-N 3.25Å; T3-D6 PolarHBondContact OG1-OD2 3.34Å
7K62.4Low49.5Very low162 Ų162156.4 Ų156.470%0.70476%0.764SS**THydrogen-bonded Turntrans-81.4-20.2178.4-72.1-178.5179.6179.20113L4 D5L4-K7 PolarHBondContact O-N 3.34Å; D5-K7 PolarHBondContact O-N 3.11Å
8L56Low49Very low155 Ų155153.6 Ų153.681%0.81276%0.763SS**THydrogen-bonded Turntrans-89.3-26.5-176.5-138.381.2000112.5D5D5-L8 PolarHBondContact O-N 2.69Å; D5-L8 VanDerWaalsContact O-N 3.15Å
9L57Low48.6Very low142 Ų142151.1 Ų151.174%0.74376%0.762SS**SBendtrans-950.6-174.2-86.1156.9000115.5D5 E11D5-L9 PolarHBondContact O-N 3.38Å; L9-E11 PolarHBondContact O-N 3Å
10G47.7Very low48.3Very low69 Ų69148.9 Ų148.971%0.71176%0.761SS**  trans62.118.5168.900000115.4K12G10-K12 PolarHBondContact O-N 3.37Å; G10-K12 VanDerWaalsContact O-N 3.15Å
11E45.5Very low47.9Very low150 Ų150150.7 Ų150.770%0.70177%0.767SS**  trans-83.194.3-176.1-145-175.717800110.1L9 L13L9-E11 PolarHBondContact O-N 3Å; E11-L13 VanDerWaalsContact C-N 3.28Å; E11-L13 HydrophobicContact CG-CD1 3.87Å; E11-L13 PolarHBondContact O-N 3.17Å; E11-L13 VanDerWaalsContact O-N 3.08Å; E11-L13 WeakPolarHBondContact OE1-CD1 3.15Å
12K42Very low48.1Very low207 Ų207146.8 Ų146.890%0.975%0.75SS**  trans-76.780.7165.1-83.6-175.6175.4179.50109.3G10 Q14G10-K12 PolarHBondContact O-N 3.37Å; G10-K12 VanDerWaalsContact O-N 3.15Å; K12-Q14 PolarHBondContact O-N 2.65Å
13L46.5Very low47.9Very low132 Ų132149.8 Ų149.869%0.69176%0.757SS**  trans-72.4115.1153-100.190.8000107.1E11E11-L13 VanDerWaalsContact C-N 3.28Å; E11-L13 HydrophobicContact CG-CD1 3.87Å; E11-L13 PolarHBondContact O-N 3.17Å; E11-L13 VanDerWaalsContact O-N 3.08Å; E11-L13 WeakPolarHBondContact OE1-CD1 3.15Å
14Q38.5Very low46.6Very low179 Ų179149.2 Ų149.284%0.83677%0.767SS**  trans169.393.1138.7-70.9-133.4-27.500109.2K12K12-Q14 PolarHBondContact O-N 2.65Å
15Y38Very low45.9Very low239 Ų239147 Ų14794%0.93777%0.765SS**  trans-139.155.2156.8-90-73.4000109.3
16Y39.5Very low45.1Very low223 Ų223149.1 Ų149.188%0.87578%0.776SS**  trans-106.8106.1164.8-96.7-89000107.8S18Y16-S18 PolarHBondContact O-N 3.41Å
17Y35.6Very low44.1Very low215 Ų215152.1 Ų152.184%0.84379%0.792SS**  trans-91.388.5169.3-146.2-97.4000107.4S19Y17-S19 WeakPolarHBondContact CD1-OG 3.49Å; Y17-S19 WeakPolarHBondContact CE1-OG 3.16Å; Y17-S19 PolarHBondContact O-N 3.4Å
18S40Very low43.1Very low107 Ų107151.7 Ų151.775%0.74880%0.797SS**  trans-80.5102164.4-83.60000107.9Y16 S20Y16-S18 PolarHBondContact O-N 3.41Å; S18-S20 PolarHBondContact O-N 3.19Å
19S40.6Very low42.2Very low105 Ų105152.1 Ų152.173%0.73480%0.8SS**  trans-82.4101.5168.7-81.10000109.8Y17Y17-S19 WeakPolarHBondContact CD1-OG 3.49Å; Y17-S19 WeakPolarHBondContact CE1-OG 3.16Å; Y17-S19 PolarHBondContact O-N 3.4Å
20S44.2Very low41.3Very low107 Ų107153.8 Ų153.875%0.74880%0.804SS**  trans-131.586.7157.761.60000107.5S18S18-S20 PolarHBondContact O-N 3.19Å
21E38.3Very low40.7Very low188 Ų188158.1 Ų158.188%0.87981%0.811SS**  trans-137.2112.6166.8-69.7-170150.100109.2
22D46.3Very low39.9Very low158 Ų158154.2 Ų154.285%0.84581%0.811SS**  trans-81.7114.2166.1172.440.5000106.8
23E48.4Very low39.8Very low173 Ų173152.5 Ų152.581%0.80881%0.807SS**  trans-137.9107.9169.4-75.8-67.6173.400108.2
24G42.6Very low39.2Very low72 Ų72157.3 Ų157.374%0.74282%0.815SS**  trans-72.6131165.800000110.2
25S38.2Very low39Very low101 Ų101157.1 Ų157.171%0.70681%0.812SS**  trans-139.8105.1165.4-173.40000108.7
26D41.1Very low38.8Very low158 Ų158151.7 Ų151.785%0.84580%0.804SS**  trans-59.7131.1159.3-79.3-33.3000109
27N38.4Very low39Very low152 Ų152149 Ų14981%0.81380%0.803SS**  trans-153.9105153.8-88.7-40.5000107.8
28D41.6Very low39.4Very low154 Ų154148.7 Ų148.782%0.82480%0.8SS**  trans-68.4131.7157.6-72.1-45.2000108.8
29D37Very low39.3Very low164 Ų164149.6 Ų149.688%0.87780%0.797SS**  trans-174.8150.3137.1-91.1-27.4000112
30E36.9Very low39.1Very low176 Ų176149.9 Ų149.982%0.82281%0.805SS**  trans-72.7154.2-161.1-74.7168.313900118
31D34.9Very low38.7Very low160 Ų160147.6 Ų147.686%0.85680%0.799SS**  trans52.7117.2145.1-75.9-22.4000122.6
32G30.2Very low38.7Very low69 Ų69140.4 Ų140.471%0.71177%0.771SS**  trans-169.284.3160.100000111.8R34G32-R34 PolarHBondContact O-N 2.94Å
33E40Very low38.6Very low171 Ų171139 Ų13980%0.79977%0.768SS**  trans-44.2108.9175.7-67.5-172145.800113
34R33Very low38.3Very low232 Ų232135.4 Ų135.488%0.87575%0.752SS**  trans-111.395.1156.1-76.5-173.1179.5-172.61.9108.7G32 T36G32-R34 PolarHBondContact O-N 2.94Å; R34-T36 PolarHBondContact O-N 3.03Å
35K35.3Very low38.3Very low175 Ų175135.5 Ų135.576%0.76174%0.74SS**  trans-59.199.9170.4-66.5178.9-179.4175.70109.3
36T32.7Very low38.5Very low125 Ų125136.3 Ų136.377%0.76774%0.736SS**  trans-94.8106.4160.450.10000107.2R34 R38R34-T36 PolarHBondContact O-N 3.03Å; T36-R38 VanDerWaalsContact C-N 3.3Å; T36-R38 PolarHBondContact O-N 2.87Å
37I44Very low38.9Very low168 Ų168131.9 Ų131.986%0.86271%0.711SS**  trans-75.690.7168.7-60.3168.8000105.6
38R43.4Very low39.4Very low207 Ų207128.7 Ų128.778%0.78170%0.695SS**  trans-130.8109.5164.1-78.4-171.5166.4-174.7-7.3108.4T36 A40T36-R38 VanDerWaalsContact C-N 3.3Å; T36-R38 PolarHBondContact O-N 2.87Å; R38-A40 PolarHBondContact O-N 2.86Å
39D37.3Very low39.6Very low127 Ų127126.9 Ų126.968%0.67968%0.677SS**  trans-57.2124.7173.1-179.926000110.1G41D39-G41 PolarHBondContact O-N 2.84Å
40A37.8Very low40.4Very low110 Ų110121.5 Ų121.591%0.90965%0.652SS**THydrogen-bonded Turntrans-80.711-170.800000113.8R38R38-A40 PolarHBondContact O-N 2.86Å
41G35.8Very low41.2Very low59 Ų59119 Ų11961%0.60866%0.661SS**THydrogen-bonded Turntrans-104.6-5.6-17400000116.6D39 T43D39-G41 PolarHBondContact O-N 2.84Å; G41-T43 PolarHBondContact O-N 3.27Å
42A37.4Very low42.3Very low37 Ų37118.4 Ų118.431%0.30666%0.658SS.*  trans-87.4113.3-175.300000111.3E44 K180A42-E44 HydrophobicContact CB-CG 4.15Å; A42-E44 PolarHBondContact O-N 2.7Å; A42-K180 HydrophobicContact CB-CD 4.25Å
43T43.9Very low43.8Very low128 Ų128117.6 Ų117.679%0.78565%0.65SS**  trans-7380.6162.1-26.60000107.2G41G41-T43 PolarHBondContact O-N 3.27Å
44E42.1Very low45.2Very low99 Ų99111 Ų11146%0.46362%0.622SS.*  trans-63.8150.8172.2-68.5-153.6167.400109.8A42 D46A42-E44 HydrophobicContact CB-CG 4.15Å; A42-E44 PolarHBondContact O-N 2.7Å; E44-D46 PolarHBondContact O-N 3.25Å
45P42.7Very low46.9Very low74 Ų74102.7 Ų102.748%0.48160%0.603SS.*  trans-53.3139165.724.3-32.7000108.6I47P45-I47 HydrophobicContact CG-CD1 4.33Å; P45-I47 HydrophobicContact CG-CG1 4.36Å; P45-I47 PolarHBondContact O-N 2.84Å
46D42.8Very low49.1Very low118 Ų11895 Ų9563%0.63157%0.571SS**  trans-61.782.8177.8-74.6-44.1000109.9E44 D48E44-D46 PolarHBondContact O-N 3.25Å; D46-D48 PolarHBondContact O-N 2.92Å
47I48.5Very low51.3Low64 Ų6492.5 Ų92.533%0.32855%0.553SS.*  trans-82.7107.7170.2-61.1164.4000104.8P45 Y49P45-I47 HydrophobicContact CG-CD1 4.33Å; P45-I47 HydrophobicContact CG-CG1 4.36Å; P45-I47 PolarHBondContact O-N 2.84Å; I47-Y49 HydrophobicContact CB-CD2 4.16Å; I47-Y49 HydrophobicContact CB-CE2 3.59Å; I47-Y49 HydrophobicContact CD1-CE2 4.49Å; I47-Y49 WeakPolarHBondContact CD1-OH 3.35Å; I47-Y49 HydrophobicContact CG2-CD1 4.29Å; I47-Y49 HydrophobicContact CG2-CD2 4.09Å; I47-Y49 HydrophobicContact CG2-CE1 3.91Å; I47-Y49 HydrophobicContact CG2-CE2 3.71Å; I47-Y49 HydrophobicContact CG2-CG 4.37Å; I47-Y49 WeakPolarHBondContact O-CD2 3.41Å; I47-Y49 PolarHBondContact O-N 2.95Å
48D49.6Very low53.3Low86 Ų8689.6 Ų89.646%0.4654%0.543SS..  trans-56.8102.3168.4-92.5-26.1000107.6D46 V56 K69D46-D48 PolarHBondContact O-N 2.92Å; D48-V56 HydrophobicContact CB-CG2 4.39Å; D48-V56 WeakPolarHBondContact O-CG2 3.19Å; D48-K69 IonicContact OD2-NZ 3.74Å; D48-K69 PolarHBondContact OD2-NZ 3.49Å
49Y45.3Very low55.3Low115 Ų11582 Ų8245%0.45153%0.529SS..BIsolated β-bridgetrans-90.4138.5170.1-68.3-82.8000108.7I47I47-Y49 HydrophobicContact CB-CD2 4.16Å; I47-Y49 HydrophobicContact CB-CE2 3.59Å; I47-Y49 HydrophobicContact CD1-CE2 4.49Å; I47-Y49 WeakPolarHBondContact CD1-OH 3.35Å; I47-Y49 HydrophobicContact CG2-CD1 4.29Å; I47-Y49 HydrophobicContact CG2-CD2 4.09Å; I47-Y49 HydrophobicContact CG2-CE1 3.91Å; I47-Y49 HydrophobicContact CG2-CE2 3.71Å; I47-Y49 HydrophobicContact CG2-CG 4.37Å; I47-Y49 WeakPolarHBondContact O-CD2 3.41Å; I47-Y49 PolarHBondContact O-N 2.95Å
50S54.9Low57.7Low52 Ų5281.1 Ų81.136%0.36453%0.531SS..  trans-62.3159.2163.2-770000110.1D52 G53 V56S50-D52 PolarHBondContact O-N 2.77Å; S50-G53 PolarHBondContact O-N 3.34Å; S50-V56 WeakPolarHBondContact OG-CG1 3.25Å
51A53.6Low59.9Low122 Ų12281.3 Ų81.3100%1.00851%0.511SS*.THydrogen-bonded Turntrans-52.1-20.7174.900000114.1
52D57Low62.2Low149 Ų14978.7 Ų78.780%0.79748%0.484SS*.THydrogen-bonded Turntrans-97.89.9178.9-158.431000113.7S50 S54S50-D52 PolarHBondContact O-N 2.77Å; D52-S54 PolarHBondContact O-N 2.7Å; D52-S54 VanDerWaalsContact O-N 3.09Å
53G63.1Low64.6Low51 Ų5181.9 Ų81.953%0.52650%0.5SS..  trans71.31.1177.200000116S50S50-G53 PolarHBondContact O-N 3.34Å
54S68.3Low66.5Low33 Ų3379.9 Ų79.923%0.23148%0.483CS..  trans-77.9135.317992.50000111.9D52 V56 K61D52-S54 PolarHBondContact O-N 2.7Å; D52-S54 VanDerWaalsContact O-N 3.09Å; S54-V56 PolarHBondContact O-N 3.42Å; S54-K61 PolarHBondContact OG-NZ 3.44Å
55A69.3Low68.5Low57 Ų5776.8 Ų76.847%0.47147%0.47SS..BIsolated β-bridgetrans-60131.1177.200000111.8
56V80.6Confident70.5Confident13 Ų1375.8 Ų75.88%0.07946%0.46CS..  trans-11715.8-178.6-68.40000113.1D48 S50 S54 G62 N65D48-V56 HydrophobicContact CB-CG2 4.39Å; D48-V56 WeakPolarHBondContact O-CG2 3.19Å; S50-V56 WeakPolarHBondContact OG-CG1 3.25Å; S54-V56 PolarHBondContact O-N 3.42Å; V56-G62 VanDerWaalsContact O-CA 3.27Å; V56-G62 WeakPolarHBondContact O-CA 3.4Å; V56-N65 HydrophobicContact CB-CB 4.3Å; V56-N65 PolarHBondContact O-ND2 2.73Å
57N79.4Confident72.4Confident73 Ų7377.4 Ų77.439%0.3946%0.458SS..SBendtrans-103.7-12.9-174.1-55.570000112.8
58T85.7Confident74.1Confident107 Ų10781.7 Ų81.766%0.65647%0.47SS*.SBendtrans-134.1157.2-17559.70000112.9G62T58-G62 PolarHBondContact O-N 3.33Å; T58-G62 VanDerWaalsContact O-N 3.13Å
59G87.1Confident75.7Confident48 Ų4880.5 Ų80.550%0.49546%0.46SS..Hα-helixtrans65.3-156.2176.800000114.4K61 G62 V63G59-K61 PolarHBondContact O-N 3.24Å; G59-G62 PolarHBondContact O-N 3.32Å; G59-G62 VanDerWaalsContact O-N 3.1Å; G59-V63 PolarHBondContact O-N 3.36Å; G59-V63 VanDerWaalsContact O-N 3.16Å
60P86.3Confident77.5Confident109 Ų10976 Ų7671%0.70844%0.443SS*.Hα-helixtrans-57.8-32.6-179.5-26.435.2000113.8I64P60-I64 WeakPolarHBondContact O-CD1 3.47Å; P60-I64 VanDerWaalsContact O-CG1 3.29Å; P60-I64 WeakPolarHBondContact O-CG1 3.33Å; P60-I64 PolarHBondContact O-N 3.05Å; P60-I64 VanDerWaalsContact O-N 3.17Å
61K83.6Confident78.8Confident113 Ų11377.1 Ų77.149%0.49144%0.441SS..Hα-helixtrans-68.7-41.6176.4-70.3-174.6173.6-175.60112S54 G59 I64 N65S54-K61 PolarHBondContact OG-NZ 3.44Å; G59-K61 PolarHBondContact O-N 3.24Å; K61-I64 PolarHBondContact O-N 2.86Å; K61-N65 WeakPolarHBondContact O-CB 3.45Å; K61-N65 PolarHBondContact O-N 2.94Å
62G86.1Confident80.2Confident4 Ų477.8 Ų77.84%0.04142%0.423CS..Hα-helixtrans-56-49.1172.500000112.7V56 T58 G59 I64 N65 D66V56-G62 VanDerWaalsContact O-CA 3.27Å; V56-G62 WeakPolarHBondContact O-CA 3.4Å; T58-G62 PolarHBondContact O-N 3.33Å; T58-G62 VanDerWaalsContact O-N 3.13Å; G59-G62 PolarHBondContact O-N 3.32Å; G59-G62 VanDerWaalsContact O-N 3.1Å; G62-I64 PolarHBondContact O-N 3.14Å; G62-N65 PolarHBondContact O-N 3.44Å; G62-D66 WeakPolarHBondContact O-CB 3.44Å; G62-D66 PolarHBondContact O-N 3.07Å
63V87.3Confident81.4Confident105 Ų10573.5 Ų73.564%0.63640%0.4SS*.Hα-helixtrans-61-43.6179.31790000111.7G59 N65 W67G59-V63 PolarHBondContact O-N 3.36Å; G59-V63 VanDerWaalsContact O-N 3.16Å; V63-N65 VanDerWaalsContact C-N 3.35Å; V63-W67 VanDerWaalsContact O-CB 3.3Å; V63-W67 WeakPolarHBondContact O-CB 3.49Å; V63-W67 PolarHBondContact O-N 3.25Å
64I83.6Confident82.3Confident85 Ų8571.9 Ų71.944%0.43638%0.379SS..Hα-helixtrans-65.5-40.5178-66.9165.2000111P60 K61 G62 W67 R68P60-I64 WeakPolarHBondContact O-CD1 3.47Å; P60-I64 VanDerWaalsContact O-CG1 3.29Å; P60-I64 WeakPolarHBondContact O-CG1 3.33Å; P60-I64 PolarHBondContact O-N 3.05Å; P60-I64 VanDerWaalsContact O-N 3.17Å; K61-I64 PolarHBondContact O-N 2.86Å; G62-I64 PolarHBondContact O-N 3.14Å; I64-W67 PolarHBondContact O-N 3.01Å; I64-R68 WeakPolarHBondContact O-CG 3.14Å; I64-R68 PolarHBondContact O-N 2.69Å
65N83.4Confident82.9Confident35 Ų3574 Ų7419%0.18739%0.39CS..Hα-helixtrans-66.5-47.9179.6-169.339.7000111.7V56 K61 G62 V63 W67 R68 K69V56-N65 HydrophobicContact CB-CB 4.3Å; V56-N65 PolarHBondContact O-ND2 2.73Å; K61-N65 WeakPolarHBondContact O-CB 3.45Å; K61-N65 PolarHBondContact O-N 2.94Å; G62-N65 PolarHBondContact O-N 3.44Å; V63-N65 VanDerWaalsContact C-N 3.35Å; N65-W67 VanDerWaalsContact C-N 3.32Å; N65-W67 PolarHBondContact O-N 3.29Å; N65-R68 PolarHBondContact O-N 3.32Å; N65-K69 PolarHBondContact O-N 3.1Å
66D85.1Confident83.6Confident52 Ų5276.1 Ų76.128%0.27839%0.39SS..Hα-helixtrans-61.6-40.1175.8-81.4-7.9000111G62 R68 K69 Y70 Y141 R145G62-D66 WeakPolarHBondContact O-CB 3.44Å; G62-D66 PolarHBondContact O-N 3.07Å; D66-R68 PolarHBondContact O-N 3.45Å; D66-K69 PolarHBondContact O-N 3.26Å; D66-Y70 VanDerWaalsContact O-CB 3.28Å; D66-Y70 WeakPolarHBondContact O-CB 3.34Å; D66-Y70 PolarHBondContact O-N 3.28Å; D66-Y141 HydrophobicContact CB-CE1 4.34Å; D66-Y141 PolarHBondContact O-OH 2.94Å; D66-Y141 VanDerWaalsContact O-OH 3.12Å; D66-R145 IonicContact OD1-CZ 2.72Å; D66-R145 IonicContact OD1-NE 3.79Å; D66-R145 PolarHBondContact OD1-NE 3.44Å; D66-R145 IonicContact OD1-NH2 3.79Å; D66-R145 PolarHBondContact OD1-NH2 3.13Å
67W82.8Confident83.5Confident152 Ų15279.3 Ų79.358%0.57640%0.404SS*.Hα-helixtrans-62.7-41.1174.9177.583.1000113V63 I64 N65 Y70 K71V63-W67 VanDerWaalsContact O-CB 3.3Å; V63-W67 WeakPolarHBondContact O-CB 3.49Å; V63-W67 PolarHBondContact O-N 3.25Å; I64-W67 PolarHBondContact O-N 3.01Å; N65-W67 VanDerWaalsContact C-N 3.32Å; N65-W67 PolarHBondContact O-N 3.29Å; W67-Y70 PolarHBondContact O-N 3.46Å; W67-K71 HydrophobicContact CD2-CG 4.28Å; W67-K71 HydrophobicContact CH2-CG 4.43Å; W67-K71 HydrophobicContact CZ2-CG 3.83Å; W67-K71 PolarHBondContact O-N 2.99Å
68R83.5Confident83.5Confident155 Ų15579.7 Ų79.759%0.58540%0.403SS*.Hα-helixtrans-63.6-46.3175.6-75177.4-171.5166.11.6111.4I64 N65 D66 Y70 K71 Q72I64-R68 WeakPolarHBondContact O-CG 3.14Å; I64-R68 PolarHBondContact O-N 2.69Å; N65-R68 PolarHBondContact O-N 3.32Å; D66-R68 PolarHBondContact O-N 3.45Å; R68-Y70 VanDerWaalsContact C-N 3.34Å; R68-K71 PolarHBondContact O-N 3.11Å; R68-Q72 WeakPolarHBondContact O-CB 3.33Å; R68-Q72 PolarHBondContact O-N 2.94Å
69K83.4Confident83.2Confident60 Ų6079.5 Ų79.526%0.26139%0.394SS..Hα-helixtrans-60.1-45.1175.7-109.4177.6178.6168.70110.9D48 N65 D66 Q72 L73 Y141D48-K69 IonicContact OD2-NZ 3.74Å; D48-K69 PolarHBondContact OD2-NZ 3.49Å; N65-K69 PolarHBondContact O-N 3.1Å; D66-K69 PolarHBondContact O-N 3.26Å; K69-Q72 PolarHBondContact O-N 3.22Å; K69-L73 WeakPolarHBondContact O-CG 3.41Å; K69-L73 PolarHBondContact O-N 3.25Å; K69-Y141 HydrophobicContact CB-CE2 4.47Å; K69-Y141 WeakPolarHBondContact CB-OH 3.27Å
70Y83.1Confident82.9Confident22 Ų2282.9 Ų82.99%0.08640%0.397CS..Hα-helixtrans-56.7-52.3175.7172.1-92.8000112D66 W67 R68 Q72 L73 E74 F137 L138 Y141D66-Y70 VanDerWaalsContact O-CB 3.28Å; D66-Y70 WeakPolarHBondContact O-CB 3.34Å; D66-Y70 PolarHBondContact O-N 3.28Å; W67-Y70 PolarHBondContact O-N 3.46Å; R68-Y70 VanDerWaalsContact C-N 3.34Å; Y70-Q72 VanDerWaalsContact C-N 3.31Å; Y70-Q72 PolarHBondContact O-N 3.21Å; Y70-L73 PolarHBondContact O-N 2.96Å; Y70-E74 PolarHBondContact O-N 2.91Å; Y70-F137 AromaticContact CD2-CD1 3.97Å; Y70-F137 HydrophobicContact CD2-CD1 3.97Å; Y70-F137 AromaticContact CD2-CE1 3.6Å; Y70-F137 HydrophobicContact CD2-CE1 3.6Å; Y70-F137 HydrophobicContact CE1-CD1 4.5Å; Y70-F137 HydrophobicContact CE1-CE1 4.4Å; Y70-F137 AromaticContact CE2-CD1 3.14Å; Y70-F137 HydrophobicContact CE2-CD1 3.14Å; Y70-F137 AromaticContact CE2-CE1 3.25Å; Y70-F137 HydrophobicContact CE2-CE1 3.25Å; Y70-F137 HydrophobicContact CE2-CG 4.34Å; Y70-F137 HydrophobicContact CG-CE1 4.34Å; Y70-F137 AromaticContact CZ-CD1 3.47Å; Y70-F137 VanDerWaalsContact CZ-CD1 3.47Å; Y70-F137 AromaticContact CZ-CE1 3.7Å; Y70-F137 WeakPolarHBondContact OH-CD1 3.39Å; Y70-L138 HydrophobicContact CD2-CD1 3.91Å; Y70-L138 HydrophobicContact CE2-CB 4.15Å; Y70-L138 HydrophobicContact CE2-CD1 3.53Å; Y70-L138 HydrophobicContact CE2-CG 4.47Å; Y70-Y141 AromaticContact CD2-CD1 3.97Å; Y70-Y141 HydrophobicContact CD2-CD1 3.97Å; Y70-Y141 HydrophobicContact CD2-CD2 4.38Å; Y70-Y141 AromaticContact CD2-CG 3.84Å; Y70-Y141 HydrophobicContact CD2-CG 3.84Å
71K82.6Confident82.5Confident75 Ų7583.1 Ų83.133%0.32639%0.389SS..Hα-helixtrans-64.8-34.1179.7-77.9-56.7-175-174.40113.1W67 R68 E74 V75W67-K71 HydrophobicContact CD2-CG 4.28Å; W67-K71 HydrophobicContact CH2-CG 4.43Å; W67-K71 HydrophobicContact CZ2-CG 3.83Å; W67-K71 PolarHBondContact O-N 2.99Å; R68-K71 PolarHBondContact O-N 3.11Å; K71-E74 WeakPolarHBondContact CD-OE2 3.22Å; K71-E74 WeakPolarHBondContact CE-OE2 3.3Å; K71-E74 IonicContact NZ-OE1 3.89Å; K71-E74 IonicContact NZ-OE2 2.67Å; K71-E74 PolarHBondContact NZ-OE2 3.36Å; K71-V75 VanDerWaalsContact O-CG2 3.31Å; K71-V75 WeakPolarHBondContact O-CG2 3.36Å; K71-V75 PolarHBondContact O-N 2.89Å; K71-V75 VanDerWaalsContact O-N 3.12Å
72Q82.8Confident82.1Confident136 Ų13685.3 Ų85.364%0.63640%0.398SS*.Hα-helixtrans-64.5-46.1174.9-173.1173.23.500111.6R68 K69 Y70 V75 E76R68-Q72 WeakPolarHBondContact O-CB 3.33Å; R68-Q72 PolarHBondContact O-N 2.94Å; K69-Q72 PolarHBondContact O-N 3.22Å; Y70-Q72 VanDerWaalsContact C-N 3.31Å; Y70-Q72 PolarHBondContact O-N 3.21Å; Q72-V75 PolarHBondContact O-N 3.47Å; Q72-E76 WeakPolarHBondContact O-CB 3.33Å; Q72-E76 PolarHBondContact O-N 3.5Å
73L82.1Confident81.8Confident58 Ų5890.5 Ų90.530%0.30442%0.42SS..Hα-helixtrans-63.9-41177.1-74168.4000112.2K69 Y70 V75 E76 Q77 F137 Y141K69-L73 WeakPolarHBondContact O-CG 3.41Å; K69-L73 PolarHBondContact O-N 3.25Å; Y70-L73 PolarHBondContact O-N 2.96Å; L73-V75 VanDerWaalsContact C-N 3.35Å; L73-V75 PolarHBondContact O-N 2.91Å; L73-E76 PolarHBondContact O-N 3.17Å; L73-Q77 WeakPolarHBondContact O-CB 3.43Å; L73-Q77 PolarHBondContact O-N 2.87Å; L73-F137 HydrophobicContact CB-CZ 4.03Å; L73-Y141 HydrophobicContact CD1-CD2 3.82Å; L73-Y141 HydrophobicContact CD1-CE2 3.7Å
74E81.7Confident81.5Confident18 Ų1892 Ų928%0.08442%0.42CS..Hα-helixtrans-59.9-45.8177.3-165.6-159.5147.400111.2Y70 K71 K78 F137Y70-E74 PolarHBondContact O-N 2.91Å; K71-E74 WeakPolarHBondContact CD-OE2 3.22Å; K71-E74 WeakPolarHBondContact CE-OE2 3.3Å; K71-E74 IonicContact NZ-OE1 3.89Å; K71-E74 IonicContact NZ-OE2 2.67Å; K71-E74 PolarHBondContact NZ-OE2 3.36Å; E74-K78 WeakPolarHBondContact O-CB 3.09Å; E74-K78 WeakPolarHBondContact O-CG 3.38Å; E74-K78 PolarHBondContact O-N 2.96Å; E74-K78 IonicContact OE1-NZ 2.73Å; E74-K78 PolarHBondContact OE1-NZ 2.93Å; E74-F137 HydrophobicContact CB-CE1 3.83Å; E74-F137 HydrophobicContact CB-CZ 4.15Å; E74-F137 HydrophobicContact CG-CE1 4.19Å
75V81.8Confident81Confident78 Ų7893 Ų9347%0.47342%0.424SS..Hα-helixtrans-65.8-42.7177.9171.30000111.3K71 Q72 L73 K78 Q79K71-V75 VanDerWaalsContact O-CG2 3.31Å; K71-V75 WeakPolarHBondContact O-CG2 3.36Å; K71-V75 PolarHBondContact O-N 2.89Å; K71-V75 VanDerWaalsContact O-N 3.12Å; Q72-V75 PolarHBondContact O-N 3.47Å; L73-V75 VanDerWaalsContact C-N 3.35Å; L73-V75 PolarHBondContact O-N 2.91Å; V75-K78 PolarHBondContact O-N 3.23Å; V75-Q79 HydrophobicContact CG1-CG 4.49Å; V75-Q79 WeakPolarHBondContact O-CB 3.35Å; V75-Q79 VanDerWaalsContact O-CG 3.3Å; V75-Q79 WeakPolarHBondContact O-CG 3.49Å; V75-Q79 PolarHBondContact O-N 3.21Å
76E83Confident80.6Confident101 Ų10197.7 Ų97.747%0.47245%0.445SS..Hα-helixtrans-61.6-47.1178.1-174.9169.1-15600111.1Q72 L73 K78 Q79 E80Q72-E76 WeakPolarHBondContact O-CB 3.33Å; Q72-E76 PolarHBondContact O-N 3.5Å; L73-E76 PolarHBondContact O-N 3.17Å; E76-K78 PolarHBondContact O-N 3.13Å; E76-Q79 WeakPolarHBondContact O-CB 3.5Å; E76-Q79 PolarHBondContact O-N 3.48Å; E76-Q79 VanDerWaalsContact O-N 3.11Å; E76-E80 WeakPolarHBondContact O-CG 3.46Å; E76-E80 PolarHBondContact O-N 3.39Å
77Q79.4Confident80.4Confident79 Ų79104.1 Ų104.137%0.36947%0.465SS..Hα-helixtrans-63.8-43.4179.1-161179.764.400111.7L73 Q79 E80 Q81L73-Q77 WeakPolarHBondContact O-CB 3.43Å; L73-Q77 PolarHBondContact O-N 2.87Å; Q77-Q79 VanDerWaalsContact C-N 3.29Å; Q77-Q79 PolarHBondContact O-N 3.06Å; Q77-E80 PolarHBondContact O-N 3.39Å; Q77-Q81 WeakPolarHBondContact O-CG 3.35Å; Q77-Q81 PolarHBondContact O-N 3.47Å
78K79.3Confident80.2Confident82 Ų82101.4 Ų101.436%0.35746%0.461SS..Hα-helixtrans-61.1-36.8173.2-77.6177.3176.1169.90111.9E74 V75 E76 K82E74-K78 WeakPolarHBondContact O-CB 3.09Å; E74-K78 WeakPolarHBondContact O-CG 3.38Å; E74-K78 PolarHBondContact O-N 2.96Å; E74-K78 IonicContact OE1-NZ 2.73Å; E74-K78 PolarHBondContact OE1-NZ 2.93Å; V75-K78 PolarHBondContact O-N 3.23Å; E76-K78 PolarHBondContact O-N 3.13Å; K78-K82 WeakPolarHBondContact O-CG 3.39Å; K78-K82 PolarHBondContact O-N 3.19Å; K78-K82 VanDerWaalsContact O-N 3.16Å
79Q79Confident80Confident103 Ų10398.8 Ų98.848%0.48146%0.458SS..Hα-helixtrans-69.7-39.7175.1-75.7-178.51300112.5V75 E76 Q77 K82 K83V75-Q79 HydrophobicContact CG1-CG 4.49Å; V75-Q79 WeakPolarHBondContact O-CB 3.35Å; V75-Q79 VanDerWaalsContact O-CG 3.3Å; V75-Q79 WeakPolarHBondContact O-CG 3.49Å; V75-Q79 PolarHBondContact O-N 3.21Å; E76-Q79 WeakPolarHBondContact O-CB 3.5Å; E76-Q79 PolarHBondContact O-N 3.48Å; E76-Q79 VanDerWaalsContact O-N 3.11Å; Q77-Q79 VanDerWaalsContact C-N 3.29Å; Q77-Q79 PolarHBondContact O-N 3.06Å; Q79-K82 PolarHBondContact O-N 3.34Å; Q79-K83 WeakPolarHBondContact O-CG 3.37Å; Q79-K83 PolarHBondContact O-N 2.93Å
80E81.4Confident79.8Confident118 Ų118102.6 Ų102.655%0.55148%0.475SS*.Hα-helixtrans-63.7-46.6176.3-74.2-170.1150.900111.7E76 Q77 K82 K83 E84E76-E80 WeakPolarHBondContact O-CG 3.46Å; E76-E80 PolarHBondContact O-N 3.39Å; Q77-E80 PolarHBondContact O-N 3.39Å; E80-K82 VanDerWaalsContact C-N 3.31Å; E80-K82 PolarHBondContact O-N 2.91Å; E80-K83 PolarHBondContact O-N 3.4Å; E80-K83 VanDerWaalsContact O-N 3.15Å; E80-E84 PolarHBondContact O-N 3.39Å
81Q76.6Confident79.5Confident115 Ų115109.9 Ų109.954%0.53751%0.507SS..Hα-helixtrans-58.9-41.8175.5-71.31781.500112Q77 E84 M85Q77-Q81 WeakPolarHBondContact O-CG 3.35Å; Q77-Q81 PolarHBondContact O-N 3.47Å; Q81-E84 PolarHBondContact O-N 2.92Å; Q81-M85 WeakPolarHBondContact O-CB 3.18Å; Q81-M85 PolarHBondContact O-N 3.4Å
82K76.5Confident79.2Confident158 Ų158112.4 Ų112.469%0.68752%0.523SS*.Hα-helixtrans-62.4-45174.8-76.6178.2-177.2-178.10112K78 Q79 E80 E84 M85 E86K78-K82 WeakPolarHBondContact O-CG 3.39Å; K78-K82 PolarHBondContact O-N 3.19Å; K78-K82 VanDerWaalsContact O-N 3.16Å; Q79-K82 PolarHBondContact O-N 3.34Å; E80-K82 VanDerWaalsContact C-N 3.31Å; E80-K82 PolarHBondContact O-N 2.91Å; K82-E84 VanDerWaalsContact C-N 3.32Å; K82-E84 PolarHBondContact O-N 3Å; K82-M85 PolarHBondContact O-N 2.85Å; K82-E86 WeakPolarHBondContact O-CB 3.44Å; K82-E86 PolarHBondContact O-N 3.16Å
83K80.4Confident78.7Confident113 Ų113109.8 Ų109.849%0.49152%0.52SS..Hα-helixtrans-63-38.2176.5-75.7173.8-177.2167.70111.7Q79 E80 R87Q79-K83 WeakPolarHBondContact O-CG 3.37Å; Q79-K83 PolarHBondContact O-N 2.93Å; E80-K83 PolarHBondContact O-N 3.4Å; E80-K83 VanDerWaalsContact O-N 3.15Å; K83-R87 VanDerWaalsContact O-CG 3.3Å; K83-R87 WeakPolarHBondContact O-CG 3.43Å; K83-R87 PolarHBondContact O-N 3.23Å
84E80.3Confident77.6Confident137 Ų137113.8 Ų113.864%0.6454%0.539SS*.Hα-helixtrans-67.4-46.4177.2-168.7-179.9-175.300111.5E80 Q81 K82 E86 R87 L88E80-E84 PolarHBondContact O-N 3.39Å; Q81-E84 PolarHBondContact O-N 2.92Å; K82-E84 VanDerWaalsContact C-N 3.32Å; K82-E84 PolarHBondContact O-N 3Å; E84-E86 VanDerWaalsContact C-N 3.34Å; E84-E86 PolarHBondContact O-N 3.47Å; E84-R87 WeakPolarHBondContact O-CB 3.48Å; E84-R87 PolarHBondContact O-N 3.04Å; E84-L88 PolarHBondContact O-N 3.26Å
85M73.1Confident76.2Confident106 Ų106118.6 Ų118.652%0.52257%0.57SS.*Hα-helixtrans-58.9-44.7175-178.565.180.200111.5Q81 K82 R87 L88 I89Q81-M85 WeakPolarHBondContact O-CB 3.18Å; Q81-M85 PolarHBondContact O-N 3.4Å; K82-M85 PolarHBondContact O-N 2.85Å; M85-R87 PolarHBondContact O-N 3.43Å; M85-L88 WeakPolarHBondContact O-CB 3.37Å; M85-L88 PolarHBondContact O-N 3.22Å; M85-L88 VanDerWaalsContact O-N 3.16Å; M85-I89 HydrophobicContact CG-CD1 4Å; M85-I89 WeakPolarHBondContact O-CG1 3.42Å; M85-I89 PolarHBondContact O-N 2.93Å; M85-I89 HydrophobicContact SD-CD1 4.43Å; M85-I89 HydrophobicContact SD-CG1 4.5Å
86E74.5Confident74.4Confident134 Ų134120.9 Ų120.963%0.62659%0.587SS**Hα-helixtrans-61.2-43.8177.1-171.4-173.7171.300111.7K82 E84 L88 I89 K90K82-E86 WeakPolarHBondContact O-CB 3.44Å; K82-E86 PolarHBondContact O-N 3.16Å; E84-E86 VanDerWaalsContact C-N 3.34Å; E84-E86 PolarHBondContact O-N 3.47Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.35Å; E86-I89 PolarHBondContact O-N 2.92Å; E86-K90 WeakPolarHBondContact O-CB 3.38Å; E86-K90 PolarHBondContact O-N 2.7Å
87R82.1Confident72.7Confident186 Ų186125.5 Ų125.570%0.70260%0.601SS**Hα-helixtrans-59.9-40.4174.2-76.1173.9-178.9166.31.2111.6K83 E84 M85 K90 K91K83-R87 VanDerWaalsContact O-CG 3.3Å; K83-R87 WeakPolarHBondContact O-CG 3.43Å; K83-R87 PolarHBondContact O-N 3.23Å; E84-R87 WeakPolarHBondContact O-CB 3.48Å; E84-R87 PolarHBondContact O-N 3.04Å; M85-R87 PolarHBondContact O-N 3.43Å; R87-K90 PolarHBondContact O-N 2.94Å; R87-K91 WeakPolarHBondContact O-CB 3.37Å; R87-K91 PolarHBondContact O-N 3.15Å
88L76.9Confident71.4Confident95 Ų95126.1 Ų126.150%0.49761%0.614SS.*Hα-helixtrans-66.4-46178.5-173.564.3000111.6E84 M85 E86 K90 K91 L92E84-L88 PolarHBondContact O-N 3.26Å; M85-L88 WeakPolarHBondContact O-CB 3.37Å; M85-L88 PolarHBondContact O-N 3.22Å; M85-L88 VanDerWaalsContact O-N 3.16Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.35Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 3.15Å; L88-K91 PolarHBondContact O-N 3.41Å; L88-L92 HydrophobicContact CD1-CD1 4.34Å; L88-L92 HydrophobicContact CG-CD1 3.97Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.29Å; L88-L92 PolarHBondContact O-N 2.91Å
89I80Confident70.1Confident101 Ų101128.9 Ų128.952%0.51863%0.632SS.*Hα-helixtrans-58.7-47.5175.5-68.1166.5000110.2M85 E86 K91 L92 S93M85-I89 HydrophobicContact CG-CD1 4Å; M85-I89 WeakPolarHBondContact O-CG1 3.42Å; M85-I89 PolarHBondContact O-N 2.93Å; M85-I89 HydrophobicContact SD-CD1 4.43Å; M85-I89 HydrophobicContact SD-CG1 4.5Å; E86-I89 PolarHBondContact O-N 2.92Å; I89-K91 VanDerWaalsContact C-N 3.3Å; I89-K91 PolarHBondContact O-N 3.36Å; I89-L92 PolarHBondContact O-N 2.73Å; I89-S93 WeakPolarHBondContact O-CB 3.4Å; I89-S93 PolarHBondContact O-N 3.16Å; I89-S93 PolarHBondContact O-OG 3.45Å
90K79Confident68.6Low140 Ų140132.1 Ų132.161%0.60965%0.652SS**Hα-helixtrans-60.5-39.6178-174.8174.1-178174.50112E86 R87 L88 S93 M94E86-K90 WeakPolarHBondContact O-CB 3.38Å; E86-K90 PolarHBondContact O-N 2.7Å; R87-K90 PolarHBondContact O-N 2.94Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 3.15Å; K90-S93 PolarHBondContact O-OG 3.23Å; K90-M94 WeakPolarHBondContact O-CG 3.47Å
91K77.3Confident67.2Low175 Ų175129.3 Ų129.376%0.76164%0.64SS**Hα-helixtrans-67.3-37.1176.6-167.9175.6-177.1-179.60112.1R87 L88 I89R87-K91 WeakPolarHBondContact O-CB 3.37Å; R87-K91 PolarHBondContact O-N 3.15Å; L88-K91 PolarHBondContact O-N 3.41Å; I89-K91 VanDerWaalsContact C-N 3.3Å; I89-K91 PolarHBondContact O-N 3.36Å
92L75.9Confident66Low127 Ų127128.9 Ų128.967%0.66564%0.642SS**Hα-helixtrans-75.6-29178-72.5163.2000113L88 I89L88-L92 HydrophobicContact CD1-CD1 4.34Å; L88-L92 HydrophobicContact CG-CD1 3.97Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.29Å; L88-L92 PolarHBondContact O-N 2.91Å; I89-L92 PolarHBondContact O-N 2.73Å
93S71.8Confident64.8Low81 Ų81130.6 Ų130.657%0.56665%0.649SS**Hα-helixtrans-82.2-12.4-177.971.40000114.5I89 K90 T95I89-S93 WeakPolarHBondContact O-CB 3.4Å; I89-S93 PolarHBondContact O-N 3.16Å; I89-S93 PolarHBondContact O-OG 3.45Å; K90-S93 PolarHBondContact O-OG 3.23Å; S93-T95 PolarHBondContact O-N 2.99Å; S93-T95 VanDerWaalsContact O-N 3.1Å
94M59.8Low63.6Low143 Ų143132.9 Ų132.970%0.70466%0.659SS**  trans-80.929.4-177.8-77.5-146.871.200115.6K90K90-M94 WeakPolarHBondContact O-CG 3.47Å
95T52.4Low62.3Low119 Ų119128.8 Ų128.873%0.7364%0.641SS**  trans-88.9114.4167.447.40000110.9S93S93-T95 PolarHBondContact O-N 2.99Å; S93-T95 VanDerWaalsContact O-N 3.1Å
96C43.2Very low61.7Low125 Ų125131.1 Ų131.185%0.84565%0.648SS**  trans-64135.3-172.5-49.30000114.4
97R47.6Very low61Low199 Ų199131.5 Ų131.575%0.75165%0.65SS**  trans-145.1150.2166.5-74.5-162.6162.5-177-4.9113.1
98S51.9Low59.9Low92 Ų92128.5 Ų128.564%0.64364%0.644SS**  trans-104.5158.9-171.553.30000113.6L100S98-L100 PolarHBondContact O-N 3.38Å
99D51.5Low58.9Low139 Ų139129.7 Ų129.774%0.74365%0.647SS**THydrogen-bonded Turntrans-53.3-4.9-165-76.7-57.7000119.6L102D99-L102 WeakPolarHBondContact O-CD1 3.16Å
100L47.8Very low58.2Low171 Ų171131.6 Ų131.690%0.89565%0.652SS**THydrogen-bonded Turntrans-88-9.5-177-79.5159.7000114.4S98S98-L100 PolarHBondContact O-N 3.38Å
101D51.8Low57.7Low59 Ų59131.9 Ų131.932%0.31665%0.653SS.*  trans-88.8-10-177.2-76.5-31.9000115K103 K104 D105D101-K103 PolarHBondContact O-N 3.41Å; D101-K104 PolarHBondContact O-N 2.86Å; D101-D105 WeakPolarHBondContact CB-OD2 3.44Å; D101-D105 PolarHBondContact O-N 2.86Å
102L53.3Low56.8Low107 Ų107128.2 Ų128.256%0.5664%0.641SS**Hα-helixtrans-52-25-168.8-68.1168.7000117.1D99 D105 K106D99-L102 WeakPolarHBondContact O-CD1 3.16Å; L102-D105 PolarHBondContact N-OD2 3.05Å; L102-K106 PolarHBondContact O-N 3.44Å
103K50.6Low55.9Low194 Ų194128.4 Ų128.484%0.84364%0.639SS**Hα-helixtrans-89.7-34.8179.4-77.8-177.4-179.8172.60113.7D101 D105D101-K103 PolarHBondContact O-N 3.41Å; K103-D105 VanDerWaalsContact C-N 3.26Å
104K55Low55.6Low160 Ų160129.4 Ų129.470%0.69664%0.638SS**Hα-helixtrans-70-33.9167.3-90.4179.4173.7175.60109.8D101 K106 E107 E108D101-K104 PolarHBondContact O-N 2.86Å; K104-K106 VanDerWaalsContact C-N 3.35Å; K104-K106 PolarHBondContact O-N 3.15Å; K104-E107 PolarHBondContact O-N 3.48Å; K104-E107 VanDerWaalsContact O-N 3.17Å; K104-E108 PolarHBondContact O-N 2.9Å
105D53.7Low56Low51 Ų51129.7 Ų129.727%0.27364%0.635SS.*Hα-helixtrans-64.3-33.1178.3-66.5-20.9000113.3D101 L102 K103 E107 E108 E109D101-D105 WeakPolarHBondContact CB-OD2 3.44Å; D101-D105 PolarHBondContact O-N 2.86Å; L102-D105 PolarHBondContact N-OD2 3.05Å; K103-D105 VanDerWaalsContact C-N 3.26Å; D105-E107 VanDerWaalsContact C-N 3.28Å; D105-E107 PolarHBondContact O-N 3.17Å; D105-E108 CarbonylContact O-C 3.5Å; D105-E108 PolarHBondContact O-N 3.38Å; D105-E109 WeakPolarHBondContact O-CA 3.43Å; D105-E109 WeakPolarHBondContact O-CB 3.32Å; D105-E109 PolarHBondContact O-N 3.15Å
106K58.8Low56.4Low155 Ų155128.6 Ų128.667%0.67462%0.624SS**Hα-helixtrans-62.9-34.9174.3-94.7-177.4176.4177.90113.4L102 K104 K110L102-K106 PolarHBondContact O-N 3.44Å; K104-K106 VanDerWaalsContact C-N 3.35Å; K104-K106 PolarHBondContact O-N 3.15Å; K106-K110 PolarHBondContact O-N 2.67Å
107E59.7Low57.1Low142 Ų142129.6 Ų129.666%0.66461%0.614SS**Hα-helixtrans-81.8-33.7-179.4-155.5164.7-151.900110.9K104 D105 K111K104-E107 PolarHBondContact O-N 3.48Å; K104-E107 VanDerWaalsContact O-N 3.17Å; D105-E107 VanDerWaalsContact C-N 3.28Å; D105-E107 PolarHBondContact O-N 3.17Å; E107-K111 PolarHBondContact O-N 3.02Å
108E60.3Low57.8Low123 Ų123123.7 Ų123.758%0.57560%0.603SS**Hα-helixtrans-71.7-32.9167.8-67.1-150.5161.500113K104 D105 K110 K111 L112K104-E108 PolarHBondContact O-N 2.9Å; D105-E108 CarbonylContact O-C 3.5Å; D105-E108 PolarHBondContact O-N 3.38Å; E108-K110 VanDerWaalsContact C-N 3.29Å; E108-K110 PolarHBondContact O-N 3.3Å; E108-K111 CarbonylContact O-C 3.38Å; E108-K111 PolarHBondContact O-N 3.34Å; E108-L112 WeakPolarHBondContact O-CA 3.35Å; E108-L112 WeakPolarHBondContact O-CB 3.4Å; E108-L112 PolarHBondContact O-N 2.94Å
109E55.8Low58.1Low120 Ų120126.3 Ų126.356%0.56160%0.603SS**Hα-helixtrans-62.4-38.8174.1-109.6-176.3151.100110.6D105 L112 Q113D105-E109 WeakPolarHBondContact O-CA 3.43Å; D105-E109 WeakPolarHBondContact O-CB 3.32Å; D105-E109 PolarHBondContact O-N 3.15Å; E109-L112 CarbonylContact O-C 3.59Å; E109-L112 PolarHBondContact O-N 3.48Å; E109-Q113 WeakPolarHBondContact O-CB 3.49Å; E109-Q113 PolarHBondContact O-N 3.43Å
110K65.1Low58.3Low142 Ų142124.4 Ų124.462%0.61759%0.591SS**Hα-helixtrans-68.6-43.8176.7-143.9180-175.5-172.40110.8K106 E108 L112 Q113 D114K106-K110 PolarHBondContact O-N 2.67Å; E108-K110 VanDerWaalsContact C-N 3.29Å; E108-K110 PolarHBondContact O-N 3.3Å; K110-L112 VanDerWaalsContact C-N 3.27Å; K110-L112 PolarHBondContact O-N 3.18Å; K110-Q113 WeakPolarHBondContact O-CB 3.3Å; K110-Q113 PolarHBondContact O-N 2.86Å; K110-D114 PolarHBondContact O-N 3.4Å
111K68.1Low58.7Low145 Ų145119.6 Ų119.663%0.6357%0.569SS**Hα-helixtrans-64.6-32171.7-73179.5180173.40112.5E107 E108 K115E107-K111 PolarHBondContact O-N 3.02Å; E108-K111 CarbonylContact O-C 3.38Å; E108-K111 PolarHBondContact O-N 3.34Å; K111-K115 WeakPolarHBondContact O-CB 3.34Å; K111-K115 PolarHBondContact O-N 2.83Å
112L59Low58.9Low98 Ų98122.5 Ų122.551%0.51358%0.582SS.*Hα-helixtrans-75.1-39.6177.2-16771.5000110.3E108 E109 K110 D114 K115 I116E108-L112 WeakPolarHBondContact O-CA 3.35Å; E108-L112 WeakPolarHBondContact O-CB 3.4Å; E108-L112 PolarHBondContact O-N 2.94Å; E109-L112 CarbonylContact O-C 3.59Å; E109-L112 PolarHBondContact O-N 3.48Å; K110-L112 VanDerWaalsContact C-N 3.27Å; K110-L112 PolarHBondContact O-N 3.18Å; L112-D114 VanDerWaalsContact C-N 3.34Å; L112-K115 CarbonylContact O-C 3.53Å; L112-K115 PolarHBondContact O-N 3.01Å; L112-I116 HydrophobicContact CD2-CD1 4.47Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CB 3.27Å; L112-I116 WeakPolarHBondContact O-CD1 3.45Å; L112-I116 WeakPolarHBondContact O-CG1 3.39Å; L112-I116 PolarHBondContact O-N 3.46Å
113Q57.1Low59.1Low132 Ų132123.1 Ų123.162%0.61758%0.582SS**Hα-helixtrans-59.7-44.4169.9-95.3-170.9-13.900110.7E109 K110 K115 I116 K117E109-Q113 WeakPolarHBondContact O-CB 3.49Å; E109-Q113 PolarHBondContact O-N 3.43Å; K110-Q113 WeakPolarHBondContact O-CB 3.3Å; K110-Q113 PolarHBondContact O-N 2.86Å; Q113-K115 VanDerWaalsContact C-N 3.35Å; Q113-I116 PolarHBondContact O-N 2.89Å; Q113-K117 VanDerWaalsContact O-CB 3.22Å; Q113-K117 WeakPolarHBondContact O-CB 3.17Å; Q113-K117 PolarHBondContact O-N 3.24Å
114D65.7Low59.2Low102 Ų102118.4 Ų118.455%0.54556%0.563SS.*Hα-helixtrans-66.1-38176.3-70.7-26000111.5K110 L112 S118K110-D114 PolarHBondContact O-N 3.4Å; L112-D114 VanDerWaalsContact C-N 3.34Å; D114-S118 VanDerWaalsContact O-CB 3.25Å; D114-S118 WeakPolarHBondContact O-CB 3.3Å; D114-S118 PolarHBondContact O-N 2.97Å
115K67.4Low58.9Low148 Ų148119.1 Ų119.164%0.64356%0.562SS**Hα-helixtrans-66.9-38.6171-99.2178.9177.4175.40113.2K111 L112 Q113 S118 K119K111-K115 WeakPolarHBondContact O-CB 3.34Å; K111-K115 PolarHBondContact O-N 2.83Å; L112-K115 CarbonylContact O-C 3.53Å; L112-K115 PolarHBondContact O-N 3.01Å; Q113-K115 VanDerWaalsContact C-N 3.35Å; K115-S118 PolarHBondContact O-N 3.33Å; K115-K119 WeakPolarHBondContact O-CB 3.45Å; K115-K119 WeakPolarHBondContact O-CG 3.43Å; K115-K119 PolarHBondContact O-N 3.47Å
116I60.3Low58.9Low97 Ų97120.7 Ų120.750%0.49757%0.57SS.*Hα-helixtrans-66.6-45.2176.5-73.7162.9000108.7L112 Q113 S118 K119 M120L112-I116 HydrophobicContact CD2-CD1 4.47Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CB 3.27Å; L112-I116 WeakPolarHBondContact O-CD1 3.45Å; L112-I116 WeakPolarHBondContact O-CG1 3.39Å; L112-I116 PolarHBondContact O-N 3.46Å; Q113-I116 PolarHBondContact O-N 2.89Å; I116-S118 VanDerWaalsContact C-N 3.32Å; I116-S118 PolarHBondContact O-N 2.97Å; I116-K119 CarbonylContact O-C 3.58Å; I116-K119 PolarHBondContact O-N 3.38Å; I116-K119 VanDerWaalsContact O-N 3.13Å; I116-M120 WeakPolarHBondContact O-CB 3.47Å; I116-M120 PolarHBondContact O-N 3.11Å
117K58Low58.5Low146 Ų146118 Ų11864%0.63556%0.562SS**Hα-helixtrans-63.5-38.2176.3-159.4177-173.9-1770111.6Q113 M120 T121Q113-K117 VanDerWaalsContact O-CB 3.22Å; Q113-K117 WeakPolarHBondContact O-CB 3.17Å; Q113-K117 PolarHBondContact O-N 3.24Å; K117-M120 WeakPolarHBondContact O-CB 3.36Å; K117-M120 PolarHBondContact O-N 3.38Å; K117-T121 PolarHBondContact O-N 2.79Å; K117-T121 PolarHBondContact O-OG1 2.85Å
118S62.8Low57.7Low75 Ų75117.2 Ų117.252%0.52456%0.561SS.*Hα-helixtrans-66.1-37171.4179.60000112.8D114 K115 I116 T121 M122D114-S118 VanDerWaalsContact O-CB 3.25Å; D114-S118 WeakPolarHBondContact O-CB 3.3Å; D114-S118 PolarHBondContact O-N 2.97Å; K115-S118 PolarHBondContact O-N 3.33Å; I116-S118 VanDerWaalsContact C-N 3.32Å; I116-S118 PolarHBondContact O-N 2.97Å; S118-T121 WeakPolarHBondContact CA-OG1 3.34Å; S118-T121 PolarHBondContact O-OG1 3.47Å; S118-M122 PolarHBondContact O-N 3.43Å
119K59.3Low57.1Low147 Ų147116.1 Ų116.164%0.63956%0.556SS**Hα-helixtrans-72-31.9171.6-78-173.3174.3-169.60112.6K115 I116 M122 Q123K115-K119 WeakPolarHBondContact O-CB 3.45Å; K115-K119 WeakPolarHBondContact O-CG 3.43Å; K115-K119 PolarHBondContact O-N 3.47Å; I116-K119 CarbonylContact O-C 3.58Å; I116-K119 PolarHBondContact O-N 3.38Å; I116-K119 VanDerWaalsContact O-N 3.13Å; K119-M122 CarbonylContact O-C 3.55Å; K119-M122 WeakPolarHBondContact O-CB 3.43Å; K119-M122 PolarHBondContact O-N 3.08Å; K119-Q123 PolarHBondContact O-N 2.93Å
120M54.1Low56.9Low99 Ų99114.3 Ų114.349%0.48855%0.548SS..Hα-helixtrans-67.7-39.1174.8-139.7-175.184.600110.6I116 K117 M122 Q123 E124I116-M120 WeakPolarHBondContact O-CB 3.47Å; I116-M120 PolarHBondContact O-N 3.11Å; K117-M120 WeakPolarHBondContact O-CB 3.36Å; K117-M120 PolarHBondContact O-N 3.38Å; M120-M122 VanDerWaalsContact C-N 3.34Å; M120-Q123 CarbonylContact O-C 3.47Å; M120-Q123 WeakPolarHBondContact O-CA 3.47Å; M120-Q123 WeakPolarHBondContact O-CB 3.35Å; M120-Q123 PolarHBondContact O-N 3.26Å; M120-Q123 VanDerWaalsContact O-N 3.11Å; M120-E124 PolarHBondContact O-N 3.09Å
121T56.8Low56.3Low70 Ų70113.6 Ų113.643%0.42955%0.551SS.*Hα-helixtrans-69-31170.920.70000112.2K117 S118 Q123 E124 Y125K117-T121 PolarHBondContact O-N 2.79Å; K117-T121 PolarHBondContact O-OG1 2.85Å; S118-T121 WeakPolarHBondContact CA-OG1 3.34Å; S118-T121 PolarHBondContact O-OG1 3.47Å; T121-Q123 VanDerWaalsContact C-N 3.29Å; T121-E124 VanDerWaalsContact CG2-OE2 3.3Å; T121-E124 WeakPolarHBondContact CG2-OE2 3.45Å; T121-E124 PolarHBondContact O-N 2.89Å; T121-Y125 PolarHBondContact O-N 2.92Å
122M56.3Low55.4Low120 Ų120113.6 Ų113.659%0.59155%0.553SS**Hα-helixtrans-67.7-32.4168.3-150.5-17781.400111.6S118 K119 M120 Y125 N126S118-M122 PolarHBondContact O-N 3.43Å; K119-M122 CarbonylContact O-C 3.55Å; K119-M122 WeakPolarHBondContact O-CB 3.43Å; K119-M122 PolarHBondContact O-N 3.08Å; M120-M122 VanDerWaalsContact C-N 3.34Å; M122-Y125 WeakPolarHBondContact O-CB 3.31Å; M122-Y125 PolarHBondContact O-N 2.94Å; M122-N126 PolarHBondContact O-N 3.38Å; M122-N126 PolarHBondContact O-OD1 3.34Å
123Q56.7Low55.4Low120 Ų120113.4 Ų113.456%0.56155%0.552SS**Hα-helixtrans-67.6-37.3172-129.5173.2-10.700111.9K119 M120 T121 Y125 N126 M127K119-Q123 PolarHBondContact O-N 2.93Å; M120-Q123 CarbonylContact O-C 3.47Å; M120-Q123 WeakPolarHBondContact O-CA 3.47Å; M120-Q123 WeakPolarHBondContact O-CB 3.35Å; M120-Q123 PolarHBondContact O-N 3.26Å; M120-Q123 VanDerWaalsContact O-N 3.11Å; T121-Q123 VanDerWaalsContact C-N 3.29Å; Q123-Y125 VanDerWaalsContact C-N 3.3Å; Q123-N126 WeakPolarHBondContact O-CB 3.34Å; Q123-N126 PolarHBondContact O-N 2.95Å; Q123-M127 PolarHBondContact O-N 3.42Å
124E53.4Low56Low95 Ų95110 Ų11044%0.44454%0.538SS..Hα-helixtrans-65.3-32.6169.8-70.5170.3164.200112M120 T121 M127 L128M120-E124 PolarHBondContact O-N 3.09Å; T121-E124 VanDerWaalsContact CG2-OE2 3.3Å; T121-E124 WeakPolarHBondContact CG2-OE2 3.45Å; T121-E124 PolarHBondContact O-N 2.89Å; E124-M127 HydrophobicContact CB-CE 4.26Å; E124-M127 HydrophobicContact CG-CE 3.89Å; E124-M127 WeakPolarHBondContact O-CB 3.28Å; E124-M127 PolarHBondContact O-N 3.41Å; E124-L128 PolarHBondContact O-N 3.5Å
125Y48.6Very low56.5Low175 Ų175110.9 Ų110.969%0.68654%0.539SS*.Hα-helixtrans-69.2-34.6170.3-118.5-91.7000112.7T121 M122 Q123 M127 L128T121-Y125 PolarHBondContact O-N 2.92Å; M122-Y125 WeakPolarHBondContact O-CB 3.31Å; M122-Y125 PolarHBondContact O-N 2.94Å; Q123-Y125 VanDerWaalsContact C-N 3.3Å; Y125-M127 VanDerWaalsContact C-N 3.3Å; Y125-L128 PolarHBondContact O-N 3.26Å
126N53.4Low57.2Low83 Ų83108 Ų10844%0.44453%0.531SS..Hα-helixtrans-68.3-27.8170.2-76.713.1000112.2M122 Q123 L128 Q129 E130M122-N126 PolarHBondContact O-N 3.38Å; M122-N126 PolarHBondContact O-OD1 3.34Å; Q123-N126 WeakPolarHBondContact O-CB 3.34Å; Q123-N126 PolarHBondContact O-N 2.95Å; N126-L128 PolarHBondContact O-N 3.12Å; N126-Q129 WeakPolarHBondContact O-CB 3.39Å; N126-Q129 PolarHBondContact O-N 3.38Å; N126-E130 PolarHBondContact O-N 3.47Å
127M49.9Very low58.1Low99 Ų99104.5 Ų104.549%0.48851%0.512SS..Hα-helixtrans-67.3-24.4172.8-68.2-164.1-59.600112.6Q123 E124 Y125 Q129 E130Q123-M127 PolarHBondContact O-N 3.42Å; E124-M127 HydrophobicContact CB-CE 4.26Å; E124-M127 HydrophobicContact CG-CE 3.89Å; E124-M127 WeakPolarHBondContact O-CB 3.28Å; E124-M127 PolarHBondContact O-N 3.41Å; Y125-M127 VanDerWaalsContact C-N 3.3Å; M127-Q129 VanDerWaalsContact C-N 3.3Å; M127-E130 HydrophobicContact CB-CG 4.5Å; M127-E130 WeakPolarHBondContact O-CB 3.43Å; M127-E130 WeakPolarHBondContact O-CG 3.44Å; M127-E130 PolarHBondContact O-N 2.92Å
128L43.9Very low59.2Low126 Ų12699.8 Ų99.866%0.6649%0.493SS*.THydrogen-bonded Turntrans-78.1-13.9171-70.7165.1000113E124 Y125 N126 E130E124-L128 PolarHBondContact O-N 3.5Å; Y125-L128 PolarHBondContact O-N 3.26Å; N126-L128 PolarHBondContact O-N 3.12Å; L128-E130 VanDerWaalsContact C-N 3.31Å
129Q48.2Very low60.3Low99 Ų99103.9 Ų103.946%0.46350%0.498SS..THydrogen-bonded Turntrans-80.3-11165.2-70.4-172.8-67.500112.6N126 M127 D131 E132 D133N126-Q129 WeakPolarHBondContact O-CB 3.39Å; N126-Q129 PolarHBondContact O-N 3.38Å; M127-Q129 VanDerWaalsContact C-N 3.3Å; Q129-D131 PolarHBondContact O-N 3.34Å; Q129-E132 PolarHBondContact O-N 2.86Å; Q129-E132 VanDerWaalsContact O-N 3.13Å; Q129-D133 WeakPolarHBondContact O-CB 3.43Å; Q129-D133 PolarHBondContact O-N 2.92Å
130E51.5Low61.5Low83 Ų83102.5 Ų102.539%0.38849%0.493SS..Hα-helixtrans-59.4-29.7179.9-71.7172.7164.400112.7N126 M127 L128 D134N126-E130 PolarHBondContact O-N 3.47Å; M127-E130 HydrophobicContact CB-CG 4.5Å; M127-E130 WeakPolarHBondContact O-CB 3.43Å; M127-E130 WeakPolarHBondContact O-CG 3.44Å; M127-E130 PolarHBondContact O-N 2.92Å; L128-E130 VanDerWaalsContact C-N 3.31Å; E130-D134 VanDerWaalsContact O-CB 3.26Å; E130-D134 WeakPolarHBondContact O-CB 3.36Å; E130-D134 VanDerWaalsContact O-CG 3.28Å; E130-D134 PolarHBondContact O-N 3.32Å
131D51.2Low62.9Low127 Ų12798.6 Ų98.668%0.67947%0.473SS*.Hα-helixtrans-71.3-34177.7-71.3-31.1000113Q129Q129-D131 PolarHBondContact O-N 3.34Å
132E50.8Low64.3Low144 Ų144102.5 Ų102.567%0.67348%0.48SS*.Hα-helixtrans-79.5-38.2173-86-176.6165.900111.2Q129 D134 E135 D136Q129-E132 PolarHBondContact O-N 2.86Å; Q129-E132 VanDerWaalsContact O-N 3.13Å; E132-D134 VanDerWaalsContact C-N 3.28Å; E132-D134 PolarHBondContact O-N 3.23Å; E132-E135 PolarHBondContact O-N 2.7Å; E132-D136 PolarHBondContact O-N 2.94Å; E132-D136 VanDerWaalsContact O-N 3.15Å
133D58.6Low65.8Low94 Ų94102.6 Ų102.650%0.50348%0.481SS..Hα-helixtrans-63-33.9175.7-74.5-29.1000111.8Q129 F137Q129-D133 WeakPolarHBondContact O-CB 3.43Å; Q129-D133 PolarHBondContact O-N 2.92Å; D133-F137 WeakPolarHBondContact O-CB 3.3Å; D133-F137 PolarHBondContact O-N 2.84Å
134D68.6Low67.2Low61 Ų61102.2 Ų102.233%0.32648%0.479SS..Hα-helixtrans-67.9-40.2177.1-88.3-8.4000112.6E130 E132 L138E130-D134 VanDerWaalsContact O-CB 3.26Å; E130-D134 WeakPolarHBondContact O-CB 3.36Å; E130-D134 VanDerWaalsContact O-CG 3.28Å; E130-D134 PolarHBondContact O-N 3.32Å; E132-D134 VanDerWaalsContact C-N 3.28Å; E132-D134 PolarHBondContact O-N 3.23Å; D134-L138 VanDerWaalsContact O-CB 3.27Å; D134-L138 WeakPolarHBondContact O-CB 3.39Å; D134-L138 PolarHBondContact O-N 3.02Å
135E76.9Confident68.6Low120 Ų12099.3 Ų99.356%0.56146%0.464SS*.Hα-helixtrans-70.9-41.5177.1-82.4-67.316000112.1E132 L138 R139E132-E135 PolarHBondContact O-N 2.7Å; E135-L138 PolarHBondContact O-N 2.94Å; E135-R139 WeakPolarHBondContact O-CB 3.4Å; E135-R139 PolarHBondContact O-N 3.12Å
136D80.9Confident70.3Confident88 Ų8894.9 Ų94.947%0.47145%0.451SS..Hα-helixtrans-67-39176.4-87.2-21.3000111.8E132 R139 Q140E132-D136 PolarHBondContact O-N 2.94Å; E132-D136 VanDerWaalsContact O-N 3.15Å; D136-R139 PolarHBondContact O-N 3.32Å; D136-Q140 VanDerWaalsContact O-CG 3.29Å; D136-Q140 WeakPolarHBondContact O-CG 3.11Å; D136-Q140 PolarHBondContact O-N 3.29Å
137F79.3Confident71.8Confident24 Ų2495.9 Ų95.911%0.10545%0.453CS..Hα-helixtrans-65.6-42.3173.7-177.4-104000111.7Y70 L73 E74 D133 R139 Q140 Y141Y70-F137 AromaticContact CD2-CD1 3.97Å; Y70-F137 HydrophobicContact CD2-CD1 3.97Å; Y70-F137 AromaticContact CD2-CE1 3.6Å; Y70-F137 HydrophobicContact CD2-CE1 3.6Å; Y70-F137 HydrophobicContact CE1-CD1 4.5Å; Y70-F137 HydrophobicContact CE1-CE1 4.4Å; Y70-F137 AromaticContact CE2-CD1 3.14Å; Y70-F137 HydrophobicContact CE2-CD1 3.14Å; Y70-F137 AromaticContact CE2-CE1 3.25Å; Y70-F137 HydrophobicContact CE2-CE1 3.25Å; Y70-F137 HydrophobicContact CE2-CG 4.34Å; Y70-F137 HydrophobicContact CG-CE1 4.34Å; Y70-F137 AromaticContact CZ-CD1 3.47Å; Y70-F137 VanDerWaalsContact CZ-CD1 3.47Å; Y70-F137 AromaticContact CZ-CE1 3.7Å; Y70-F137 WeakPolarHBondContact OH-CD1 3.39Å; L73-F137 HydrophobicContact CB-CZ 4.03Å; E74-F137 HydrophobicContact CB-CE1 3.83Å; E74-F137 HydrophobicContact CB-CZ 4.15Å; E74-F137 HydrophobicContact CG-CE1 4.19Å; D133-F137 WeakPolarHBondContact O-CB 3.3Å; D133-F137 PolarHBondContact O-N 2.84Å; F137-R139 VanDerWaalsContact C-N 3.31Å; F137-R139 PolarHBondContact O-N 3.37Å; F137-Q140 PolarHBondContact O-N 3.22Å; F137-Y141 WeakPolarHBondContact O-CB 3.34Å; F137-Y141 PolarHBondContact O-N 2.91Å
138L82Confident73.4Confident46 Ų4694.5 Ų94.524%0.24145%0.445CS..Hα-helixtrans-62.2-38.8174.9-168.768.8000112Y70 D134 E135 Y141 R142Y70-L138 HydrophobicContact CD2-CD1 3.91Å; Y70-L138 HydrophobicContact CE2-CB 4.15Å; Y70-L138 HydrophobicContact CE2-CD1 3.53Å; Y70-L138 HydrophobicContact CE2-CG 4.47Å; D134-L138 VanDerWaalsContact O-CB 3.27Å; D134-L138 WeakPolarHBondContact O-CB 3.39Å; D134-L138 PolarHBondContact O-N 3.02Å; E135-L138 PolarHBondContact O-N 2.94Å; L138-Y141 PolarHBondContact O-N 2.76Å; L138-R142 WeakPolarHBondContact O-CG 3.34Å; L138-R142 PolarHBondContact O-N 3.42Å
139R85.5Confident75Confident162 Ų16293 Ų9361%0.61144%0.436SS*.Hα-helixtrans-63.8-46173.8-174.4-178.8-174.3176.23.9111.8E135 D136 F137 Y141 R142 M143E135-R139 WeakPolarHBondContact O-CB 3.4Å; E135-R139 PolarHBondContact O-N 3.12Å; D136-R139 PolarHBondContact O-N 3.32Å; F137-R139 VanDerWaalsContact C-N 3.31Å; F137-R139 PolarHBondContact O-N 3.37Å; R139-Y141 VanDerWaalsContact C-N 3.32Å; R139-Y141 PolarHBondContact O-N 3Å; R139-R142 PolarHBondContact O-N 3.43Å; R139-M143 WeakPolarHBondContact O-CG 3.39Å; R139-M143 PolarHBondContact O-N 3.48Å
140Q85.3Confident76.4Confident117 Ų11794.3 Ų94.355%0.54744%0.437SS..Hα-helixtrans-59.5-44.3175.7-73.4174.425.100111.2D136 F137 R142 M143 Q144D136-Q140 VanDerWaalsContact O-CG 3.29Å; D136-Q140 WeakPolarHBondContact O-CG 3.11Å; D136-Q140 PolarHBondContact O-N 3.29Å; F137-Q140 PolarHBondContact O-N 3.22Å; Q140-R142 PolarHBondContact O-N 2.66Å; Q140-M143 PolarHBondContact O-N 2.93Å; Q140-Q144 WeakPolarHBondContact O-CB 3.47Å; Q140-Q144 PolarHBondContact O-N 3.44Å
141Y83.8Confident77.7Confident17 Ų1798.2 Ų98.27%0.06745%0.448CS..Hα-helixtrans-61.4-45.3177.2-178.5-103.2000112.2D66 K69 Y70 L73 F137 L138 R139 M143 Q144 R145D66-Y141 HydrophobicContact CB-CE1 4.34Å; D66-Y141 PolarHBondContact O-OH 2.94Å; D66-Y141 VanDerWaalsContact O-OH 3.12Å; K69-Y141 HydrophobicContact CB-CE2 4.47Å; K69-Y141 WeakPolarHBondContact CB-OH 3.27Å; Y70-Y141 AromaticContact CD2-CD1 3.97Å; Y70-Y141 HydrophobicContact CD2-CD1 3.97Å; Y70-Y141 HydrophobicContact CD2-CD2 4.38Å; Y70-Y141 AromaticContact CD2-CG 3.84Å; Y70-Y141 HydrophobicContact CD2-CG 3.84Å; L73-Y141 HydrophobicContact CD1-CD2 3.82Å; L73-Y141 HydrophobicContact CD1-CE2 3.7Å; F137-Y141 WeakPolarHBondContact O-CB 3.34Å; F137-Y141 PolarHBondContact O-N 2.91Å; L138-Y141 PolarHBondContact O-N 2.76Å; R139-Y141 VanDerWaalsContact C-N 3.32Å; R139-Y141 PolarHBondContact O-N 3Å; Y141-M143 VanDerWaalsContact C-N 3.34Å; Y141-M143 PolarHBondContact O-N 3.36Å; Y141-Q144 PolarHBondContact O-N 3.06Å; Y141-R145 HydrophobicContact CD1-CG 4.28Å; Y141-R145 HydrophobicContact CE1-CG 3.81Å; Y141-R145 HydrophobicContact CE2-CG 4.08Å; Y141-R145 WeakPolarHBondContact O-CG 3.49Å; Y141-R145 PolarHBondContact O-N 2.68Å
142R86.4Confident78.7Confident152 Ų15295.2 Ų95.257%0.57443%0.43SS*.Hα-helixtrans-57.6-46.4174.6-73.5173.1-178.1163.85111.6L138 R139 Q140 R145 I146L138-R142 WeakPolarHBondContact O-CG 3.34Å; L138-R142 PolarHBondContact O-N 3.42Å; R139-R142 PolarHBondContact O-N 3.43Å; Q140-R142 PolarHBondContact O-N 2.66Å; R142-R145 PolarHBondContact O-N 3.13Å; R142-I146 WeakPolarHBondContact O-CG1 3.29Å; R142-I146 PolarHBondContact O-N 3.28Å; R142-I146 VanDerWaalsContact O-N 3.09Å
143M86.3Confident79.6Confident123 Ų12395 Ų9561%0.60643%0.432SS*.Hα-helixtrans-63.4-42.4177.4-73.3-175.464.700111.9R139 Q140 Y141 R145 I146 E147R139-M143 WeakPolarHBondContact O-CG 3.39Å; R139-M143 PolarHBondContact O-N 3.48Å; Q140-M143 PolarHBondContact O-N 2.93Å; Y141-M143 VanDerWaalsContact C-N 3.34Å; Y141-M143 PolarHBondContact O-N 3.36Å; M143-R145 PolarHBondContact O-N 3.27Å; M143-I146 PolarHBondContact O-N 3.49Å; M143-E147 WeakPolarHBondContact O-CB 3.37Å; M143-E147 PolarHBondContact O-N 3.37Å
144Q85.8Confident80.1Confident112 Ų11293.6 Ų93.652%0.52343%0.43SS..Hα-helixtrans-61.5-42.6177.8-171.9178.712.400111.6Q140 Y141 E147 E148Q140-Q144 WeakPolarHBondContact O-CB 3.47Å; Q140-Q144 PolarHBondContact O-N 3.44Å; Y141-Q144 PolarHBondContact O-N 3.06Å; Q144-E147 PolarHBondContact O-N 3.46Å; Q144-E148 WeakPolarHBondContact O-CB 3.36Å; Q144-E148 PolarHBondContact O-N 2.72Å
145R83.7Confident80.2Confident34 Ų3498.5 Ų98.513%0.12844%0.444CS..Hα-helixtrans-65.2-40.9176.8-69.8-66-71.2134.41.9112.4D66 Y141 R142 M143 E148 M149D66-R145 IonicContact OD1-CZ 2.72Å; D66-R145 IonicContact OD1-NE 3.79Å; D66-R145 PolarHBondContact OD1-NE 3.44Å; D66-R145 IonicContact OD1-NH2 3.79Å; D66-R145 PolarHBondContact OD1-NH2 3.13Å; Y141-R145 HydrophobicContact CD1-CG 4.28Å; Y141-R145 HydrophobicContact CE1-CG 3.81Å; Y141-R145 HydrophobicContact CE2-CG 4.08Å; Y141-R145 WeakPolarHBondContact O-CG 3.49Å; Y141-R145 PolarHBondContact O-N 2.68Å; R142-R145 PolarHBondContact O-N 3.13Å; M143-R145 PolarHBondContact O-N 3.27Å; R145-E148 IonicContact CZ-OE2 3.41Å; R145-E148 IonicContact NH1-OE1 3.32Å; R145-E148 IonicContact NH1-OE2 2.72Å; R145-E148 PolarHBondContact NH1-OE2 3.04Å; R145-E148 PolarHBondContact O-N 2.85Å; R145-M149 WeakPolarHBondContact O-CG 3.44Å; R145-M149 PolarHBondContact O-N 3.16Å
146I84.4Confident80Confident81 Ų8194.9 Ų94.942%0.41544%0.439SS..Hα-helixtrans-62-45.5174.5-67.6166000110.5R142 M143 M149 R150R142-I146 WeakPolarHBondContact O-CG1 3.29Å; R142-I146 PolarHBondContact O-N 3.28Å; R142-I146 VanDerWaalsContact O-N 3.09Å; M143-I146 PolarHBondContact O-N 3.49Å; I146-M149 HydrophobicContact CG1-CE 4.42Å; I146-M149 PolarHBondContact O-N 3.46Å; I146-R150 HydrophobicContact CG2-CG 4.49Å; I146-R150 WeakPolarHBondContact O-CG 3.38Å; I146-R150 PolarHBondContact O-N 2.88Å
147E84.1Confident80.2Confident104 Ų10496 Ų9649%0.48644%0.439SS..Hα-helixtrans-67.2-38-179.4-170.958.4-152.300112.2M143 Q144 R150 R151M143-E147 WeakPolarHBondContact O-CB 3.37Å; M143-E147 PolarHBondContact O-N 3.37Å; Q144-E147 PolarHBondContact O-N 3.46Å; E147-R150 PolarHBondContact O-N 3.2Å; E147-R151 WeakPolarHBondContact O-CB 3.26Å; E147-R151 PolarHBondContact O-N 3.1Å
148E83.2Confident80.6Confident70 Ų70102.9 Ų102.933%0.32747%0.465SS..Hα-helixtrans-60.4-48174-172.3-175.3179.200111.1Q144 R145 R150 R151 Q152Q144-E148 WeakPolarHBondContact O-CB 3.36Å; Q144-E148 PolarHBondContact O-N 2.72Å; R145-E148 IonicContact CZ-OE2 3.41Å; R145-E148 IonicContact NH1-OE1 3.32Å; R145-E148 IonicContact NH1-OE2 2.72Å; R145-E148 PolarHBondContact NH1-OE2 3.04Å; R145-E148 PolarHBondContact O-N 2.85Å; E148-R150 PolarHBondContact O-N 3.41Å; E148-R151 PolarHBondContact O-N 3.13Å; E148-Q152 WeakPolarHBondContact O-CG 3.4Å; E148-Q152 PolarHBondContact O-N 3.3Å
149M78.3Confident80.7Confident94 Ų94101.8 Ų101.846%0.46346%0.458SS..Hα-helixtrans-60.8-44.9175.6-71.7-173-66.300111.8R145 I146 R151 Q152 L153R145-M149 WeakPolarHBondContact O-CG 3.44Å; R145-M149 PolarHBondContact O-N 3.16Å; I146-M149 HydrophobicContact CG1-CE 4.42Å; I146-M149 PolarHBondContact O-N 3.46Å; M149-R151 PolarHBondContact O-N 3.21Å; M149-Q152 PolarHBondContact O-N 2.94Å; M149-L153 WeakPolarHBondContact O-CG 3.29Å; M149-L153 PolarHBondContact O-N 3Å; M149-L153 VanDerWaalsContact O-N 3.11Å
150R77.9Confident80.9Confident128 Ų12899.1 Ų99.148%0.48345%0.453SS..Hα-helixtrans-59.4-45.8176-76.5175.4172.6-179.4-2.6111.8I146 E147 E148 Q152 L153 C154I146-R150 HydrophobicContact CG2-CG 4.49Å; I146-R150 WeakPolarHBondContact O-CG 3.38Å; I146-R150 PolarHBondContact O-N 2.88Å; E147-R150 PolarHBondContact O-N 3.2Å; E148-R150 PolarHBondContact O-N 3.41Å; R150-Q152 VanDerWaalsContact C-N 3.29Å; R150-Q152 PolarHBondContact O-N 3.47Å; R150-L153 PolarHBondContact O-N 3.37Å; R150-L153 VanDerWaalsContact O-N 3.16Å; R150-C154 WeakPolarHBondContact O-CB 3.49Å; R150-C154 PolarHBondContact O-N 3.11Å; R150-C154 PolarHBondContact O-SG 2.96Å
151R78.1Confident81.3Confident164 Ų164103.6 Ų103.662%0.61946%0.464SS*.Hα-helixtrans-62-37.8179.4-178.8179.5-86.4-170.5-5.2111.7E147 E148 M149 C154 R155E147-R151 WeakPolarHBondContact O-CB 3.26Å; E147-R151 PolarHBondContact O-N 3.1Å; E148-R151 PolarHBondContact O-N 3.13Å; M149-R151 PolarHBondContact O-N 3.21Å; R151-C154 PolarHBondContact O-N 3.43Å; R151-R155 WeakPolarHBondContact O-CG 3.29Å
152Q73.4Confident81.9Confident64 Ų64104.3 Ų104.330%0.29947%0.47SS..Hα-helixtrans-64.9-40.4175.5-70.9176.2300111.8E148 M149 R150E148-Q152 WeakPolarHBondContact O-CG 3.4Å; E148-Q152 PolarHBondContact O-N 3.3Å; M149-Q152 PolarHBondContact O-N 2.94Å; R150-Q152 VanDerWaalsContact C-N 3.29Å; R150-Q152 PolarHBondContact O-N 3.47Å
153L70Confident82.3Confident139 Ų139101.4 Ų101.473%0.72846%0.464SS*.Hα-helixtrans-72.1-27.5177.9-67169000113.5M149 R150 R155M149-L153 WeakPolarHBondContact O-CG 3.29Å; M149-L153 PolarHBondContact O-N 3Å; M149-L153 VanDerWaalsContact O-N 3.11Å; R150-L153 PolarHBondContact O-N 3.37Å; R150-L153 VanDerWaalsContact O-N 3.16Å; L153-R155 VanDerWaalsContact C-N 3.33Å; L153-R155 PolarHBondContact O-N 3.17Å
154C68.6Low82.7Confident66 Ų66101.3 Ų101.345%0.44646%0.461SS..THydrogen-bonded Turntrans-86.74.2-178.5-69.30000114.6R150 R151 L212R150-C154 WeakPolarHBondContact O-CB 3.49Å; R150-C154 PolarHBondContact O-N 3.11Å; R150-C154 PolarHBondContact O-SG 2.96Å; R151-C154 PolarHBondContact O-N 3.43Å; C154-L212 HydrophobicContact CB-CD1 4.36Å
155R69.5Low83.2Confident163 Ų16396.1 Ų96.162%0.61544%0.437SS*.  trans-87.3122.9177.3-80.1171.4166.2-175-3.7109.8R151 L153R151-R155 WeakPolarHBondContact O-CG 3.29Å; L153-R155 VanDerWaalsContact C-N 3.33Å; L153-R155 PolarHBondContact O-N 3.17Å
156G74.6Confident83.6Confident45 Ų4597 Ų9746%0.46446%0.458SS..SBendtrans169170.7174.900000113.9
157K84Confident84.1Confident110 Ų11094.8 Ų94.848%0.47845%0.449SS..  trans-61.8144.9168.4-178.3172.3160.8-156.60109.8F159 E178K157-F159 HydrophobicContact CB-CE2 4.16Å; K157-F159 HydrophobicContact CB-CZ 3.93Å; K157-F159 HydrophobicContact CD-CE1 3.85Å; K157-F159 HydrophobicContact CD-CZ 3.71Å; K157-F159 VanDerWaalsContact CE-CE1 3.43Å; K157-F159 HydrophobicContact CG-CE1 4Å; K157-F159 HydrophobicContact CG-CE2 4.22Å; K157-F159 HydrophobicContact CG-CZ 3.7Å; K157-F159 WeakPolarHBondContact O-CE2 3.41Å; K157-E178 WeakPolarHBondContact CD-OE1 3.42Å; K157-E178 IonicContact NZ-OE1 3.29Å; K157-E178 PolarHBondContact NZ-OE1 3.39Å; K157-E178 IonicContact NZ-OE2 2.61Å; K157-E178 PolarHBondContact NZ-OE2 3.38Å
158R86.9Confident84.4Confident170 Ų17091.3 Ų91.364%0.64244%0.441SS*.  trans-105.6132.7179.8-66.8-174.4178.7-167.3-1111.9P211 L212R158-P211 CarbonylContact C-O 3.54Å; R158-P211 WeakPolarHBondContact CA-O 3.43Å; R158-P211 HydrophobicContact CB-CB 4.1Å; R158-P211 HydrophobicContact CG-CB 4.02Å; R158-L212 HydrophobicContact CG-CD2 4.22Å
159F85.7Confident84.9Confident23 Ų2395.7 Ų95.710%0.10146%0.461CS..  trans-120.896.6177.7-44-91.1000107.1K157 R161 E178 T182 P211 K214K157-F159 HydrophobicContact CB-CE2 4.16Å; K157-F159 HydrophobicContact CB-CZ 3.93Å; K157-F159 HydrophobicContact CD-CE1 3.85Å; K157-F159 HydrophobicContact CD-CZ 3.71Å; K157-F159 VanDerWaalsContact CE-CE1 3.43Å; K157-F159 HydrophobicContact CG-CE1 4Å; K157-F159 HydrophobicContact CG-CE2 4.22Å; K157-F159 HydrophobicContact CG-CZ 3.7Å; K157-F159 WeakPolarHBondContact O-CE2 3.41Å; F159-R161 VanDerWaalsContact C-N 3.32Å; F159-E178 HydrophobicContact CZ-CG 4.15Å; F159-E178 WeakPolarHBondContact CZ-OE1 3.41Å; F159-T182 HydrophobicContact CE2-CG2 3.64Å; F159-T182 HydrophobicContact CZ-CG2 4.01Å; F159-P211 PolarHBondContact N-O 2.91Å; F159-K214 HydrophobicContact CB-CB 4.45Å; F159-K214 HydrophobicContact CD1-CB 3.97Å; F159-K214 HydrophobicContact CD1-CD 4.11Å; F159-K214 HydrophobicContact CD1-CG 3.79Å; F159-K214 HydrophobicContact CD2-CB 3.87Å; F159-K214 HydrophobicContact CE1-CB 4.14Å; F159-K214 HydrophobicContact CE1-CD 3.82Å; F159-K214 HydrophobicContact CE1-CG 4Å; F159-K214 HydrophobicContact CE2-CB 4.07Å; F159-K214 HydrophobicContact CG-CB 3.84Å; F159-K214 HydrophobicContact CG-CG 4.1Å; F159-K214 HydrophobicContact CZ-CB 4.2Å; F159-K214 HydrophobicContact CZ-CD 4.31Å
160E89.3Confident85.6Confident106 Ų10695.1 Ų95.150%0.49546%0.457SS..  trans-98.416-176.1-65.1173.9174.900111.9P211E160-P211 HydrophobicContact CG-CB 3.99Å; E160-P211 HydrophobicContact CG-CG 4.35Å
161R93.7Very high86.3Confident210 Ų21090.2 Ų90.279%0.79244%0.44SS*.SBendtrans-149.1153.8-176.4-67.9-169.1-68.8-112.20.5110.6F159F159-R161 VanDerWaalsContact C-N 3.32Å
162V95.7Very high87Confident32 Ų3287 Ų8719%0.19443%0.434CS..PPolyproline II helixtrans-79.5128.2170-176.60000109.2L203 L204 A207 F215 C217V162-L203 HydrophobicContact CG2-CB 4.05Å; V162-L203 WeakPolarHBondContact CG2-O 3.39Å; V162-L204 HydrophobicContact CB-CD2 4.1Å; V162-L204 HydrophobicContact CG2-CD2 3.86Å; V162-L204 HydrophobicContact CG2-CG 4.33Å; V162-A207 HydrophobicContact CG2-CB 3.94Å; V162-F215 CarbonylContact C-O 3.52Å; V162-F215 WeakPolarHBondContact CA-O 3.46Å; V162-F215 HydrophobicContact CG2-CB 4.02Å; V162-C217 HydrophobicContact CG1-CB 4.14Å
163Q95.2Very high87.9Confident92 Ų9288.3 Ų88.343%0.4344%0.441SS..EExtended strand (participates in β ladder)trans-93.4122.3176.8-173.9176.27.400110.5L165 F215 C216 C217Q163-L165 HydrophobicContact CG-CD2 4.07Å; Q163-F215 PolarHBondContact N-O 3.09Å; Q163-C216 CarbonylContact O-C 3.59Å; Q163-C216 WeakPolarHBondContact O-CA 3.43Å; Q163-C216 WeakPolarHBondContact O-CB 3.17Å; Q163-C217 PolarHBondContact O-N 3.32Å
164E95.5Very high89Confident120 Ų12082 Ų8256%0.56141%0.408SS*.EExtended strand (participates in β ladder)trans-80.9131171.4-171.8169.4-159.600110Y189 C217E164-Y189 PolarHBondContact OE1-OH 3.04Å; E164-C217 WeakPolarHBondContact CA-O 3.31Å
165L95.4Very high90Very high3 Ų379.7 Ų79.72%0.01639%0.391CS..EExtended strand (participates in β ladder)trans-106.8121.4178.9-51.1176.3000108.7Q163 E170 F171 A174 C216 C217 V218Q163-L165 HydrophobicContact CG-CD2 4.07Å; L165-E170 HydrophobicContact CB-CB 4.36Å; L165-E170 HydrophobicContact CD2-CB 4.34Å; L165-F171 HydrophobicContact CD1-CB 4.4Å; L165-F171 HydrophobicContact CD1-CD2 4.39Å; L165-A174 HydrophobicContact CD1-CB 4.22Å; L165-A174 HydrophobicContact CD2-CB 4.17Å; L165-C216 HydrophobicContact CD1-CB 3.76Å; L165-C216 HydrophobicContact CG-CB 4.06Å; L165-C217 PolarHBondContact N-O 3.43Å; L165-V218 HydrophobicContact CB-CB 4.11Å; L165-V218 HydrophobicContact CB-CG2 4.13Å
166G92.8Very high91Very high54 Ų5477.9 Ų77.956%0.55739%0.394SS*.  trans-90.2-13-175.200000114.6E170 A222G166-E170 PolarHBondContact N-OE2 3.32Å; G166-A222 WeakPolarHBondContact O-CB 3.28Å
167S93.6Very high91.7Very high34 Ų3482.9 Ų82.924%0.23840%0.403CS..SBendtrans-149.6161.7-175.869.10000113E169 E170 F171S167-E169 PolarHBondContact O-N 2.92Å; S167-E170 PolarHBondContact O-N 3.35Å; S167-E170 WeakPolarHBondContact OG-CG 3.46Å; S167-E170 PolarHBondContact OG-N 3.01Å; S167-E170 PolarHBondContact OG-OE1 3.2Å; S167-F171 PolarHBondContact O-N 2.87Å; S167-F171 VanDerWaalsContact O-N 3.08Å
168G91.4Very high92Very high30 Ų3078.8 Ų78.831%0.30939%0.386SS..Hα-helixtrans-63.5-25.7171.200000114.3F171 L172 A222G168-F171 WeakPolarHBondContact O-CB 3.43Å; G168-F171 PolarHBondContact O-N 3.49Å; G168-L172 WeakPolarHBondContact O-CG 3.46Å; G168-L172 PolarHBondContact O-N 3.09Å; G168-A222 PolarHBondContact N-O 3.35Å
169E92.7Very high92Very high163 Ų16374.5 Ų74.576%0.76238%0.375SS*.Hα-helixtrans-70.3-44.3174.2-64.6-176.3174.500110.8S167 F171 L172 E173S167-E169 PolarHBondContact O-N 2.92Å; E169-F171 VanDerWaalsContact C-N 3.25Å; E169-F171 PolarHBondContact O-N 2.98Å; E169-L172 PolarHBondContact O-N 2.96Å; E169-E173 WeakPolarHBondContact O-CB 3.16Å; E169-E173 PolarHBondContact O-N 3.33Å
170E94.1Very high92.1Very high81 Ų8178.9 Ų78.938%0.37939%0.394SS..Hα-helixtrans-62.3-33.4173.9-73.2169.5-140.100112.2L165 G166 S167 A174L165-E170 HydrophobicContact CB-CB 4.36Å; L165-E170 HydrophobicContact CD2-CB 4.34Å; G166-E170 PolarHBondContact N-OE2 3.32Å; S167-E170 PolarHBondContact O-N 3.35Å; S167-E170 WeakPolarHBondContact OG-CG 3.46Å; S167-E170 PolarHBondContact OG-N 3.01Å; S167-E170 PolarHBondContact OG-OE1 3.2Å; E170-A174 WeakPolarHBondContact O-CB 3.45Å; E170-A174 PolarHBondContact O-N 3.1Å
171F92.9Very high92Very high25 Ų2577 Ų7711%0.1139%0.393CS..Hα-helixtrans-60.2-50172.1178.2-82.2000112.4L165 S167 G168 E169 A174 L175 I186 V218 I223 L238 Y240L165-F171 HydrophobicContact CD1-CB 4.4Å; L165-F171 HydrophobicContact CD1-CD2 4.39Å; S167-F171 PolarHBondContact O-N 2.87Å; S167-F171 VanDerWaalsContact O-N 3.08Å; G168-F171 WeakPolarHBondContact O-CB 3.43Å; G168-F171 PolarHBondContact O-N 3.49Å; E169-F171 VanDerWaalsContact C-N 3.25Å; E169-F171 PolarHBondContact O-N 2.98Å; F171-A174 PolarHBondContact O-N 3.43Å; F171-L175 HydrophobicContact CD1-CD1 4.08Å; F171-L175 HydrophobicContact CE1-CD1 3.49Å; F171-L175 VanDerWaalsContact CE1-CD1 3.49Å; F171-L175 HydrophobicContact CZ-CD1 3.93Å; F171-L175 WeakPolarHBondContact O-CG 3.3Å; F171-L175 PolarHBondContact O-N 2.83Å; F171-I186 HydrophobicContact CD2-CD1 3.72Å; F171-I186 HydrophobicContact CD2-CG2 4.07Å; F171-I186 HydrophobicContact CE2-CB 4.22Å; F171-I186 HydrophobicContact CE2-CD1 3.34Å; F171-I186 HydrophobicContact CE2-CG1 4.35Å; F171-I186 HydrophobicContact CE2-CG2 3.79Å; F171-I186 HydrophobicContact CZ-CD1 3.86Å; F171-V218 HydrophobicContact CD2-CG1 4.39Å; F171-I223 HydrophobicContact CB-CG2 4.4Å; F171-L238 HydrophobicContact CZ-CD1 4.37Å; F171-Y240 HydrophobicContact CZ-CE2 4.19Å
172L92.3Very high91.8Very high96 Ų9667.3 Ų67.350%0.50336%0.357SS..Hα-helixtrans-67.8-42.1178.7-66.2172.9000111.3G168 E169 A174 L175 D176G168-L172 WeakPolarHBondContact O-CG 3.46Å; G168-L172 PolarHBondContact O-N 3.09Å; E169-L172 PolarHBondContact O-N 2.96Å; L172-A174 VanDerWaalsContact C-N 3.28Å; L172-A174 PolarHBondContact O-N 3.44Å; L172-L175 PolarHBondContact O-N 2.94Å; L172-L175 VanDerWaalsContact O-N 3.07Å; L172-D176 WeakPolarHBondContact O-CB 3.43Å; L172-D176 PolarHBondContact O-N 3.16Å
173E93.1Very high91.7Very high93 Ų9366.7 Ų66.744%0.43535%0.352SS..Hα-helixtrans-59.5-40.3176.3-179.5169.3-172.100112.1E169 L175 K177E169-E173 WeakPolarHBondContact O-CB 3.16Å; E169-E173 PolarHBondContact O-N 3.33Å; E173-L175 PolarHBondContact O-N 3.46Å; E173-K177 VanDerWaalsContact CD-NZ 3.26Å; E173-K177 HydrophobicContact CG-CD 3.59Å; E173-K177 HydrophobicContact CG-CG 4.03Å; E173-K177 WeakPolarHBondContact O-CB 3.22Å; E173-K177 PolarHBondContact O-N 3.18Å; E173-K177 WeakPolarHBondContact OE1-CD 3.02Å; E173-K177 WeakPolarHBondContact OE1-CE 3.11Å; E173-K177 IonicContact OE1-NZ 2.66Å; E173-K177 PolarHBondContact OE1-NZ 3.11Å; E173-K177 IonicContact OE2-NZ 2.91Å
174A91.1Very high91.7Very high6 Ų662.6 Ų62.65%0.0533%0.334CS..Hα-helixtrans-63.4-25.8178.400000113L165 E170 F171 L172 I184 K214L165-A174 HydrophobicContact CD1-CB 4.22Å; L165-A174 HydrophobicContact CD2-CB 4.17Å; E170-A174 WeakPolarHBondContact O-CB 3.45Å; E170-A174 PolarHBondContact O-N 3.1Å; F171-A174 PolarHBondContact O-N 3.43Å; L172-A174 VanDerWaalsContact C-N 3.28Å; L172-A174 PolarHBondContact O-N 3.44Å; A174-I184 WeakPolarHBondContact O-CD1 3.16Å; A174-K214 PolarHBondContact O-NZ 3.5Å
175L90.8Very high91.8Very high17 Ų1756.9 Ų56.99%0.08931%0.307CS..Hα-helixtrans-90.2-48.3177.9-65.6176.9000112.6F171 L172 E173 I184 I186 Y240F171-L175 HydrophobicContact CD1-CD1 4.08Å; F171-L175 HydrophobicContact CE1-CD1 3.49Å; F171-L175 VanDerWaalsContact CE1-CD1 3.49Å; F171-L175 HydrophobicContact CZ-CD1 3.93Å; F171-L175 WeakPolarHBondContact O-CG 3.3Å; F171-L175 PolarHBondContact O-N 2.83Å; L172-L175 PolarHBondContact O-N 2.94Å; L172-L175 VanDerWaalsContact O-N 3.07Å; E173-L175 PolarHBondContact O-N 3.46Å; L175-I184 HydrophobicContact CD2-CB 4.21Å; L175-I184 HydrophobicContact CD2-CD1 3.91Å; L175-I184 HydrophobicContact CD2-CG2 3.97Å; L175-I186 HydrophobicContact CD1-CD1 4.42Å; L175-I186 HydrophobicContact CD2-CD1 3.81Å; L175-I186 HydrophobicContact CG-CD1 4.13Å; L175-Y240 HydrophobicContact CD1-CD1 4.2Å; L175-Y240 HydrophobicContact CD1-CD2 4.31Å; L175-Y240 HydrophobicContact CD1-CE1 4Å; L175-Y240 HydrophobicContact CD1-CE2 4.09Å; L175-Y240 HydrophobicContact CD1-CG 4.35Å; L175-Y240 HydrophobicContact CD2-CD1 4.09Å; L175-Y240 HydrophobicContact CD2-CD2 3.59Å; L175-Y240 HydrophobicContact CD2-CE2 4.17Å; L175-Y240 HydrophobicContact CD2-CG 3.53Å
176D89.9Confident91.8Very high125 Ų12556.8 Ų56.867%0.66831%0.306SS*.Hα-helixtrans-78.1-30.1-169.8-71.1-17.5000113.5L172L172-D176 WeakPolarHBondContact O-CB 3.43Å; L172-D176 PolarHBondContact O-N 3.16Å
177K89.1Confident92Very high150 Ų15054.2 Ų54.265%0.65228%0.28SS*.THydrogen-bonded Turntrans-91.74.4-176.3-63-166.6-172170.10114.3E173E173-K177 VanDerWaalsContact CD-NZ 3.26Å; E173-K177 HydrophobicContact CG-CD 3.59Å; E173-K177 HydrophobicContact CG-CG 4.03Å; E173-K177 WeakPolarHBondContact O-CB 3.22Å; E173-K177 PolarHBondContact O-N 3.18Å; E173-K177 WeakPolarHBondContact OE1-CD 3.02Å; E173-K177 WeakPolarHBondContact OE1-CE 3.11Å; E173-K177 IonicContact OE1-NZ 2.66Å; E173-K177 PolarHBondContact OE1-NZ 3.11Å; E173-K177 IonicContact OE2-NZ 2.91Å
178E90.3Very high92.1Very high25 Ų2552.7 Ų52.712%0.11727%0.269CS..SBendtrans-99.6157.4-178.4-148.165.6-120.800112K157 F159 T182 I184 K214K157-E178 WeakPolarHBondContact CD-OE1 3.42Å; K157-E178 IonicContact NZ-OE1 3.29Å; K157-E178 PolarHBondContact NZ-OE1 3.39Å; K157-E178 IonicContact NZ-OE2 2.61Å; K157-E178 PolarHBondContact NZ-OE2 3.38Å; F159-E178 HydrophobicContact CZ-CG 4.15Å; F159-E178 WeakPolarHBondContact CZ-OE1 3.41Å; E178-T182 HydrophobicContact CG-CG2 3.75Å; E178-I184 HydrophobicContact CB-CD1 3.9Å; E178-I184 HydrophobicContact CG-CD1 4.35Å; E178-K214 HydrophobicContact CG-CD 4.23Å; E178-K214 WeakPolarHBondContact OE2-CD 3.31Å; E178-K214 IonicContact OE2-NZ 3Å; E178-K214 PolarHBondContact OE2-NZ 3.27Å
179D88Confident92.3Very high80 Ų8052.6 Ų52.643%0.42826%0.26SS..  trans-61.8141.8178.2-62.9-57.1000111.5S181 T182D179-S181 PolarHBondContact O-N 3.49Å; D179-S181 VanDerWaalsContact O-N 3.08Å; D179-T182 VanDerWaalsContact O-CB 3.31Å; D179-T182 WeakPolarHBondContact O-CB 3.49Å; D179-T182 PolarHBondContact O-N 3.11Å
180K87.6Confident92.3Very high115 Ų11546.2 Ų46.250%0.523%0.23SC..THydrogen-bonded Turntrans-61.7-22.7-178.8-62.9-179.6-176.8175.90114A42 G242A42-K180 HydrophobicContact CB-CD 4.25Å; K180-G242 WeakPolarHBondContact O-CA 3.28Å; K180-G242 PolarHBondContact O-N 3.39Å
181S86.2Confident92.1Very high66 Ų6645.1 Ų45.146%0.46223%0.23SC..THydrogen-bonded Turntrans-78.9-20.6175.454.30000113.1D179D179-S181 PolarHBondContact O-N 3.49Å; D179-S181 VanDerWaalsContact O-N 3.08Å
182T90.4Very high92Very high7 Ų752.4 Ų52.44%0.04326%0.264CS..  trans-73.9133.8-177.8-59.80000110.4F159 E178 D179 I184 K214F159-T182 HydrophobicContact CE2-CG2 3.64Å; F159-T182 HydrophobicContact CZ-CG2 4.01Å; E178-T182 HydrophobicContact CG-CG2 3.75Å; D179-T182 VanDerWaalsContact O-CB 3.31Å; D179-T182 WeakPolarHBondContact O-CB 3.49Å; D179-T182 PolarHBondContact O-N 3.11Å; T182-I184 HydrophobicContact CG2-CG1 4.28Å; T182-K214 HydrophobicContact CG2-CB 4.19Å
183L93.4Very high91.9Very high18 Ų1849.6 Ų49.69%0.09425%0.249CC..EExtended strand (participates in β ladder)trans-93.2128.5174.1-166.5142.5000108.8M185 V213 K214 V239 I246 L274L183-M185 HydrophobicContact CD2-CE 3.44Å; L183-M185 VanDerWaalsContact CD2-CE 3.44Å; L183-M185 HydrophobicContact CD2-CG 3.59Å; L183-M185 HydrophobicContact CD2-SD 4.24Å; L183-V213 HydrophobicContact CB-CG2 4.43Å; L183-V213 HydrophobicContact CD2-CG1 3.63Å; L183-V213 HydrophobicContact CD2-CG2 4.31Å; L183-K214 PolarHBondContact O-N 3.3Å; L183-V239 HydrophobicContact CD1-CG1 4.38Å; L183-V239 HydrophobicContact CD2-CG1 3.76Å; L183-V239 HydrophobicContact CG-CG1 4.07Å; L183-I246 HydrophobicContact CD1-CD1 4.22Å; L183-L274 WeakPolarHBondContact CD1-O 3.49Å
184I95.6Very high91.9Very high7 Ų748.7 Ų48.74%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-119.2121.7-174.5-50.9169000108.3A174 L175 E178 T182 I186 K214 V239 Y240A174-I184 WeakPolarHBondContact O-CD1 3.16Å; L175-I184 HydrophobicContact CD2-CB 4.21Å; L175-I184 HydrophobicContact CD2-CD1 3.91Å; L175-I184 HydrophobicContact CD2-CG2 3.97Å; E178-I184 HydrophobicContact CB-CD1 3.9Å; E178-I184 HydrophobicContact CG-CD1 4.35Å; T182-I184 HydrophobicContact CG2-CG1 4.28Å; I184-I186 HydrophobicContact CG2-CD1 4.31Å; I184-I186 HydrophobicContact CG2-CG1 4.02Å; I184-K214 CarbonylContact C-O 3.46Å; I184-K214 WeakPolarHBondContact CA-O 3.36Å; I184-K214 HydrophobicContact CG1-CB 4.27Å; I184-K214 HydrophobicContact CG1-CD 4.38Å; I184-K214 HydrophobicContact CG2-CB 4.41Å; I184-K214 HydrophobicContact CG2-CD 4.36Å; I184-K214 HydrophobicContact CG2-CG 4.44Å; I184-V239 CarbonylContact O-C 3.58Å; I184-V239 WeakPolarHBondContact O-CA 3.44Å; I184-Y240 PolarHBondContact N-O 3.38Å; I184-Y240 PolarHBondContact O-N 3.35Å
185M96.6Very high91.9Very high0 Ų048.8 Ų48.80%025%0.253CS..EExtended strand (participates in β ladder)trans-113.7120178.6-65.2-165.5171.100109.5L183 V213 K214 F215 C216 L237 L238 V239 L269 L274 L275L183-M185 HydrophobicContact CD2-CE 3.44Å; L183-M185 VanDerWaalsContact CD2-CE 3.44Å; L183-M185 HydrophobicContact CD2-CG 3.59Å; L183-M185 HydrophobicContact CD2-SD 4.24Å; M185-V213 HydrophobicContact CG-CG1 3.98Å; M185-V213 HydrophobicContact SD-CG1 4.28Å; M185-K214 PolarHBondContact N-O 3.18Å; M185-F215 HydrophobicContact CB-CD1 3.8Å; M185-F215 HydrophobicContact CB-CE1 4.1Å; M185-F215 HydrophobicContact CG-CD1 4.37Å; M185-F215 HydrophobicContact CG-CE1 4.19Å; M185-F215 CarbonylContact O-C 3.57Å; M185-F215 WeakPolarHBondContact O-CA 3.2Å; M185-F215 HydrophobicContact SD-CD1 4.14Å; M185-F215 HydrophobicContact SD-CE1 3.45Å; M185-F215 WeakPolarHBondContact SD-CE1 3.03Å; M185-F215 HydrophobicContact SD-CZ 4.19Å; M185-C216 PolarHBondContact O-N 2.9Å; M185-L237 HydrophobicContact CB-CD1 4.17Å; M185-L238 CarbonylContact C-O 3.6Å; M185-L238 WeakPolarHBondContact CA-O 3.03Å; M185-V239 HydrophobicContact CE-CG1 4.21Å; M185-V239 HydrophobicContact CE-CG2 4.29Å; M185-V239 HydrophobicContact CG-CG1 4.17Å; M185-V239 HydrophobicContact CG-CG2 4.12Å; M185-L269 HydrophobicContact CE-CD1 3.97Å; M185-L269 HydrophobicContact CE-CD2 4.03Å; M185-L269 HydrophobicContact CE-CG 4.47Å; M185-L269 HydrophobicContact SD-CD1 3.93Å; M185-L274 HydrophobicContact CE-CB 4.15Å; M185-L274 WeakPolarHBondContact CE-O 3.26Å; M185-L275 HydrophobicContact CE-CD2 3.81Å; M185-L275 HydrophobicContact CE-CG 4.29Å
186I96.6Very high92Very high0 Ų048 Ų480%025%0.249CC..EExtended strand (participates in β ladder)trans-116.2114.2-177.9-50.4-178.1000109.6F171 L175 I184 C216 V218 L238 Y240F171-I186 HydrophobicContact CD2-CD1 3.72Å; F171-I186 HydrophobicContact CD2-CG2 4.07Å; F171-I186 HydrophobicContact CE2-CB 4.22Å; F171-I186 HydrophobicContact CE2-CD1 3.34Å; F171-I186 HydrophobicContact CE2-CG1 4.35Å; F171-I186 HydrophobicContact CE2-CG2 3.79Å; F171-I186 HydrophobicContact CZ-CD1 3.86Å; L175-I186 HydrophobicContact CD1-CD1 4.42Å; L175-I186 HydrophobicContact CD2-CD1 3.81Å; L175-I186 HydrophobicContact CG-CD1 4.13Å; I184-I186 HydrophobicContact CG2-CD1 4.31Å; I184-I186 HydrophobicContact CG2-CG1 4.02Å; I186-C216 WeakPolarHBondContact CA-O 3.38Å; I186-C216 HydrophobicContact CG1-CB 4.18Å; I186-C216 HydrophobicContact CG2-CB 4.37Å; I186-V218 HydrophobicContact CG2-CB 4.49Å; I186-V218 HydrophobicContact CG2-CG1 3.7Å; I186-L238 PolarHBondContact N-O 2.64Å; I186-L238 PolarHBondContact O-N 3.17Å; I186-Y240 HydrophobicContact CD1-CD2 4.44Å; I186-Y240 HydrophobicContact CD1-CE2 4.39Å
187H96.4Very high92.2Very high0 Ų047.9 Ų47.90%025%0.248CC..EExtended strand (participates in β ladder)trans-86.2115.4171.6171.5-133.2000110.4Y189 M199 S200 L203 C216 C217 V218 A236 L237H187-Y189 WeakPolarHBondContact CE1-CB 3.41Å; H187-Y189 AromaticContact CE1-CG 3.91Å; H187-M199 WeakPolarHBondContact CD2-CG 3.38Å; H187-M199 VanDerWaalsContact NE2-CG 3.31Å; H187-M199 WeakPolarHBondContact NE2-CG 3.31Å; H187-S200 PolarHBondContact CE1-OG 3.15Å; H187-L203 HydrophobicContact CB-CD1 3.42Å; H187-L203 VanDerWaalsContact CB-CD1 3.42Å; H187-C216 PolarHBondContact N-O 2.82Å; H187-C217 HydrophobicContact CB-CB 4.48Å; H187-C217 CarbonylContact O-C 3.5Å; H187-C217 VanDerWaalsContact O-CA 3.31Å; H187-C217 WeakPolarHBondContact O-CA 3.45Å; H187-V218 PolarHBondContact O-N 2.78Å; H187-A236 WeakPolarHBondContact CA-O 3.46Å; H187-L237 HydrophobicContact CB-CD1 4.33Å
188I95.6Very high92.5Very high3 Ų341.9 Ų41.92%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-92.5124.4171.9-53.5170.7000107.3V218 I223 I225 F229 L234 A236 L238I188-V218 WeakPolarHBondContact CA-O 3.32Å; I188-V218 HydrophobicContact CB-CG1 4.35Å; I188-V218 HydrophobicContact CG1-CG1 3.81Å; I188-I223 HydrophobicContact CD1-CD1 4.13Å; I188-I223 HydrophobicContact CG1-CD1 4.17Å; I188-I223 HydrophobicContact CG2-CD1 4.04Å; I188-I225 HydrophobicContact CD1-CD1 3.88Å; I188-I225 HydrophobicContact CG2-CD1 4.06Å; I188-F229 HydrophobicContact CD1-CE1 4.48Å; I188-L234 HydrophobicContact CB-CD2 4.1Å; I188-L234 HydrophobicContact CG2-CD2 3.68Å; I188-L234 WeakPolarHBondContact O-CD2 3.47Å; I188-A236 HydrophobicContact CB-CB 4.42Å; I188-A236 PolarHBondContact N-O 2.61Å; I188-A236 PolarHBondContact O-N 2.83Å; I188-L238 HydrophobicContact CD1-CD1 3.61Å; I188-L238 HydrophobicContact CD1-CG 4.01Å
189Y94.6Very high92.7Very high28 Ų2840.7 Ų40.711%0.1122%0.221CC..EExtended strand (participates in β ladder)trans-142.2162.9-170.682.9-83.6000113.4E164 H187 C217 V218 R219 S220E164-Y189 PolarHBondContact OE1-OH 3.04Å; H187-Y189 WeakPolarHBondContact CE1-CB 3.41Å; H187-Y189 AromaticContact CE1-CG 3.91Å; Y189-C217 HydrophobicContact CD1-CB 4.09Å; Y189-C217 HydrophobicContact CE1-CB 3.92Å; Y189-V218 VanDerWaalsContact CD1-O 3.26Å; Y189-V218 WeakPolarHBondContact CD1-O 3.13Å; Y189-V218 PolarHBondContact N-O 3.01Å; Y189-R219 HydrophobicContact CE1-CG 3.92Å; Y189-R219 HydrophobicContact CE2-CG 4.2Å; Y189-R219 CarbonylContact O-C 3.56Å; Y189-R219 WeakPolarHBondContact O-CA 3.38Å; Y189-S220 PolarHBondContact O-N 2.92Å
190E93.6Very high93.1Very high28 Ų2838.4 Ų38.413%0.13121%0.212CC..  trans-142.7132.1164.4-163.169.5-117.300107.5E192 I193 C196 R219 L234E190-E192 PolarHBondContact O-N 3Å; E190-E192 VanDerWaalsContact O-N 3.11Å; E190-I193 HydrophobicContact CB-CD1 4Å; E190-I193 HydrophobicContact CB-CG1 4.29Å; E190-I193 PolarHBondContact O-N 3.18Å; E190-I193 VanDerWaalsContact O-N 3.09Å; E190-C196 PolarHBondContact O-SG 3.26Å; E190-C196 VanDerWaalsContact O-SG 3.37Å; E190-R219 IonicContact OE1-CZ 3.45Å; E190-R219 IonicContact OE1-NE 2.65Å; E190-R219 PolarHBondContact OE1-NE 3.23Å; E190-R219 IonicContact OE1-NH2 3.91Å; E190-R219 PolarHBondContact OE1-NH2 3.27Å; E190-L234 HydrophobicContact CB-CD1 4.04Å
191P90.8Very high93.4Very high59 Ų5934.7 Ų34.738%0.38321%0.205SC..THydrogen-bonded Turntrans-64.8-16.3-172.926.3-36.5000114.3I193 R219P191-I193 VanDerWaalsContact C-N 3.26Å; P191-R219 VanDerWaalsContact CG-NH2 3.32Å
192E90.7Very high93.9Very high177 Ų17731.8 Ų31.883%0.82719%0.185SC*.THydrogen-bonded Turntrans-79.1-11.4177.9-62.4178.6179.300112.6E190E190-E192 PolarHBondContact O-N 3Å; E190-E192 VanDerWaalsContact O-N 3.11Å
193I90.2Very high94.2Very high38 Ų3831.5 Ų31.520%0.19518%0.183CC..SBendtrans-100.2128.2-172.6-61.9177.7000110.3E190 P191 C196 R230 L234E190-I193 HydrophobicContact CB-CD1 4Å; E190-I193 HydrophobicContact CB-CG1 4.29Å; E190-I193 PolarHBondContact O-N 3.18Å; E190-I193 VanDerWaalsContact O-N 3.09Å; P191-I193 VanDerWaalsContact C-N 3.26Å; I193-C196 WeakPolarHBondContact O-CB 3.38Å; I193-C196 PolarHBondContact O-N 3.41Å; I193-C196 PolarHBondContact O-SG 3.35Å; I193-R230 WeakPolarHBondContact CD1-O 3.41Å; I193-L234 HydrophobicContact CD1-CB 3.61Å; I193-L234 HydrophobicContact CD1-CD1 3.57Å; I193-L234 HydrophobicContact CD1-CG 4.09Å; I193-L234 HydrophobicContact CG2-CB 4.29Å
194P91.7Very high94.3Very high73 Ų7336 Ų3647%0.47421%0.207SC..THydrogen-bonded Turntrans-61.9148.2179.727-34.9000111.8C196 E258P194-C196 PolarHBondContact O-N 3.43Å; P194-E258 HydrophobicContact CB-CG 4.32Å
195G91.3Very high94.2Very high9 Ų938.8 Ų38.89%0.09323%0.226CC..THydrogen-bonded Turntrans81.4-16.1-176.800000115.3D197 A198 M199G195-D197 VanDerWaalsContact C-N 3.32Å; G195-D197 PolarHBondContact O-N 3.37Å; G195-A198 PolarHBondContact O-N 2.89Å; G195-M199 WeakPolarHBondContact O-CB 3.47Å; G195-M199 PolarHBondContact O-N 2.76Å
196C93.9Very high94.1Very high0 Ų038.8 Ų38.80%023%0.226CC..Hα-helixtrans-63.7-36.5175.1-700000112.5E190 I193 P194 S200E190-C196 PolarHBondContact O-SG 3.26Å; E190-C196 VanDerWaalsContact O-SG 3.37Å; I193-C196 WeakPolarHBondContact O-CB 3.38Å; I193-C196 PolarHBondContact O-N 3.41Å; I193-C196 PolarHBondContact O-SG 3.35Å; P194-C196 PolarHBondContact O-N 3.43Å; C196-S200 WeakPolarHBondContact O-CB 3.38Å; C196-S200 PolarHBondContact O-N 2.85Å; C196-S200 PolarHBondContact O-OG 2.89Å
197D94.4Very high94.1Very high122 Ų12238.8 Ų38.865%0.65223%0.227SC*.Hα-helixtrans-69-44.2177.1-72.6-15.3000111.4G195 M199 S200 G201G195-D197 VanDerWaalsContact C-N 3.32Å; G195-D197 PolarHBondContact O-N 3.37Å; D197-M199 VanDerWaalsContact C-N 3.33Å; D197-M199 PolarHBondContact O-N 2.92Å; D197-S200 PolarHBondContact O-N 3.46Å; D197-G201 PolarHBondContact O-N 3.4Å
198A94.9Very high93.8Very high24 Ų2445.2 Ų45.220%0.19826%0.256CS..Hα-helixtrans-60.1-43.5175.100000111.3G195 S202 F260G195-A198 PolarHBondContact O-N 2.89Å; A198-S202 VanDerWaalsContact O-CB 3.26Å; A198-S202 WeakPolarHBondContact O-CB 3.49Å; A198-S202 PolarHBondContact O-N 3.46Å; A198-S202 PolarHBondContact O-OG 2.94Å; A198-F260 HydrophobicContact CB-CD1 4.07Å; A198-F260 HydrophobicContact CB-CE1 3.92Å; A198-F260 HydrophobicContact CB-CZ 4.27Å
199M95.2Very high93.6Very high0 Ų049.3 Ų49.30%028%0.275CS..Hα-helixtrans-62.4-47175.1-169.762-171.300112H187 G195 D197 G201 S202 L203 L237 L252 F260 L265H187-M199 WeakPolarHBondContact CD2-CG 3.38Å; H187-M199 VanDerWaalsContact NE2-CG 3.31Å; H187-M199 WeakPolarHBondContact NE2-CG 3.31Å; G195-M199 WeakPolarHBondContact O-CB 3.47Å; G195-M199 PolarHBondContact O-N 2.76Å; D197-M199 VanDerWaalsContact C-N 3.33Å; D197-M199 PolarHBondContact O-N 2.92Å; M199-G201 PolarHBondContact O-N 3.39Å; M199-S202 PolarHBondContact O-N 3.28Å; M199-L203 HydrophobicContact CE-CD1 4.13Å; M199-L203 HydrophobicContact CE-CD2 3.99Å; M199-L203 HydrophobicContact CE-CG 4.03Å; M199-L203 WeakPolarHBondContact O-CG 3.37Å; M199-L203 PolarHBondContact O-N 3.42Å; M199-L237 HydrophobicContact CE-CB 4.01Å; M199-L237 HydrophobicContact CE-CD1 3.7Å; M199-L237 HydrophobicContact CE-CD2 3.81Å; M199-L237 HydrophobicContact CE-CG 4.04Å; M199-L252 HydrophobicContact CE-CD1 3.65Å; M199-L252 HydrophobicContact SD-CD1 3.8Å; M199-F260 HydrophobicContact CB-CZ 3.79Å; M199-F260 HydrophobicContact CG-CZ 4.36Å; M199-F260 HydrophobicContact SD-CE2 3.96Å; M199-F260 HydrophobicContact SD-CZ 3.69Å; M199-L265 HydrophobicContact CE-CD1 3.91Å; M199-L265 HydrophobicContact CE-CD2 3.54Å; M199-L265 HydrophobicContact CE-CG 4.38Å; M199-L265 HydrophobicContact SD-CD1 4.01Å; M199-L265 HydrophobicContact SD-CD2 3.55Å; M199-L265 VanDerWaalsContact SD-CD2 3.55Å; M199-L265 HydrophobicContact SD-CG 4.41Å
200S95.1Very high93.5Very high33 Ų3348.5 Ų48.523%0.23127%0.272CS..Hα-helixtrans-63.2-44.1179.9-59.10000111.7H187 C196 D197 L203 L204H187-S200 PolarHBondContact CE1-OG 3.15Å; C196-S200 WeakPolarHBondContact O-CB 3.38Å; C196-S200 PolarHBondContact O-N 2.85Å; C196-S200 PolarHBondContact O-OG 2.89Å; D197-S200 PolarHBondContact O-N 3.46Å; S200-L203 PolarHBondContact O-N 3.25Å; S200-L204 WeakPolarHBondContact O-CG 3.21Å; S200-L204 PolarHBondContact O-N 3.01Å
201G95Very high93.4Very high36 Ų3648.6 Ų48.637%0.37128%0.275SS..Hα-helixtrans-62-42.3174.300000112.6D197 M199 L204 C205D197-G201 PolarHBondContact O-N 3.4Å; M199-G201 PolarHBondContact O-N 3.39Å; G201-L204 PolarHBondContact O-N 3.27Å; G201-C205 PolarHBondContact O-N 3.5Å
202S96.1Very high93.4Very high5 Ų547.7 Ų47.74%0.03527%0.267CS..Hα-helixtrans-62.1-43.9177.3-64.90000112.2A198 M199 L204 C205 L206 A262A198-S202 VanDerWaalsContact O-CB 3.26Å; A198-S202 WeakPolarHBondContact O-CB 3.49Å; A198-S202 PolarHBondContact O-N 3.46Å; A198-S202 PolarHBondContact O-OG 2.94Å; M199-S202 PolarHBondContact O-N 3.28Å; S202-L204 VanDerWaalsContact C-N 3.32Å; S202-L204 PolarHBondContact O-N 2.89Å; S202-C205 PolarHBondContact O-N 2.92Å; S202-L206 WeakPolarHBondContact O-CG 3.37Å; S202-L206 PolarHBondContact O-N 3.42Å; S202-A262 PolarHBondContact OG-N 3.25Å
203L95.7Very high93.5Very high1 Ų139.3 Ų39.31%0.00523%0.228CC..Hα-helixtrans-65.2-32.5177.4-71.9-172.7000113.5V162 H187 M199 S200 C205 L206 A207 F215 L265V162-L203 HydrophobicContact CG2-CB 4.05Å; V162-L203 WeakPolarHBondContact CG2-O 3.39Å; H187-L203 HydrophobicContact CB-CD1 3.42Å; H187-L203 VanDerWaalsContact CB-CD1 3.42Å; M199-L203 HydrophobicContact CE-CD1 4.13Å; M199-L203 HydrophobicContact CE-CD2 3.99Å; M199-L203 HydrophobicContact CE-CG 4.03Å; M199-L203 WeakPolarHBondContact O-CG 3.37Å; M199-L203 PolarHBondContact O-N 3.42Å; S200-L203 PolarHBondContact O-N 3.25Å; L203-C205 VanDerWaalsContact C-N 3.33Å; L203-C205 PolarHBondContact O-N 3.4Å; L203-L206 HydrophobicContact CD2-CD1 4.32Å; L203-L206 PolarHBondContact O-N 3.18Å; L203-A207 WeakPolarHBondContact O-CB 3.37Å; L203-A207 PolarHBondContact O-N 2.86Å; L203-F215 HydrophobicContact CD2-CD1 3.64Å; L203-F215 HydrophobicContact CD2-CE1 3.83Å; L203-L265 HydrophobicContact CD2-CD2 3.89Å; L203-L265 HydrophobicContact CG-CD2 4.46Å
204L95.6Very high93.7Very high113 Ų11338 Ų3859%0.59222%0.221SC*.Hα-helixtrans-62.4-41.4174.6-71.5169.6000111.7V162 S200 G201 S202V162-L204 HydrophobicContact CB-CD2 4.1Å; V162-L204 HydrophobicContact CG2-CD2 3.86Å; V162-L204 HydrophobicContact CG2-CG 4.33Å; S200-L204 WeakPolarHBondContact O-CG 3.21Å; S200-L204 PolarHBondContact O-N 3.01Å; G201-L204 PolarHBondContact O-N 3.27Å; S202-L204 VanDerWaalsContact C-N 3.32Å; S202-L204 PolarHBondContact O-N 2.89Å
205C95.1Very high94Very high65 Ų6534.5 Ų34.544%0.43920%0.198SC..Hα-helixtrans-66.4-47.9174.5-640000111.2G201 S202 L203 A207 H208 E209 A262G201-C205 PolarHBondContact O-N 3.5Å; S202-C205 PolarHBondContact O-N 2.92Å; L203-C205 VanDerWaalsContact C-N 3.33Å; L203-C205 PolarHBondContact O-N 3.4Å; C205-A207 VanDerWaalsContact C-N 3.31Å; C205-A207 PolarHBondContact O-N 2.68Å; C205-H208 PolarHBondContact O-N 3.43Å; C205-H208 VanDerWaalsContact O-N 3.11Å; C205-E209 PolarHBondContact O-N 3.29Å; C205-A262 HydrophobicContact CB-CB 3.63Å
206L94.6Very high94.2Very high0 Ų034.1 Ų34.10%019%0.194CC..Hα-helixtrans-63.6-34-178.9-68.3176.9000113S202 L203 H208 E209 Y210 F215 A262 L265 E266 L269S202-L206 WeakPolarHBondContact O-CG 3.37Å; S202-L206 PolarHBondContact O-N 3.42Å; L203-L206 HydrophobicContact CD2-CD1 4.32Å; L203-L206 PolarHBondContact O-N 3.18Å; L206-H208 PolarHBondContact O-N 3Å; L206-E209 PolarHBondContact O-N 2.69Å; L206-E209 VanDerWaalsContact O-N 3.15Å; L206-Y210 HydrophobicContact CB-CD2 4.43Å; L206-Y210 HydrophobicContact CD2-CD2 4.07Å; L206-Y210 HydrophobicContact CD2-CE2 3.84Å; L206-Y210 WeakPolarHBondContact O-CB 3.35Å; L206-Y210 PolarHBondContact O-N 3.43Å; L206-F215 HydrophobicContact CB-CE1 4.17Å; L206-F215 HydrophobicContact CB-CE2 4.41Å; L206-F215 HydrophobicContact CB-CZ 3.85Å; L206-A262 HydrophobicContact CG-CB 4.46Å; L206-L265 HydrophobicContact CD1-CB 4.36Å; L206-L265 HydrophobicContact CD1-CD2 3.63Å; L206-L265 HydrophobicContact CD1-CG 3.89Å; L206-E266 HydrophobicContact CD2-CB 3.94Å; L206-E266 HydrophobicContact CD2-CG 4.17Å; L206-L269 HydrophobicContact CD1-CD1 4.32Å
207A94.5Very high94.3Very high1 Ų135 Ų351%0.00820%0.2CC..Hα-helixtrans-61.2-32.6175.600000112.8V162 L203 C205 F215V162-A207 HydrophobicContact CG2-CB 3.94Å; L203-A207 WeakPolarHBondContact O-CB 3.37Å; L203-A207 PolarHBondContact O-N 2.86Å; C205-A207 VanDerWaalsContact C-N 3.31Å; C205-A207 PolarHBondContact O-N 2.68Å; A207-F215 VanDerWaalsContact CA-CD2 3.46Å; A207-F215 HydrophobicContact CB-CB 4.32Å; A207-F215 HydrophobicContact CB-CD2 3.7Å; A207-F215 HydrophobicContact CB-CE2 4.35Å; A207-F215 HydrophobicContact CB-CG 4.25Å
208H91.9Very high94.4Very high135 Ų13529.2 Ų29.263%0.62517%0.169SC*.Hα-helixtrans-79.2-33.2175.4-170-80.6000112.2C205 L206C205-H208 PolarHBondContact O-N 3.43Å; C205-H208 VanDerWaalsContact O-N 3.11Å; L206-H208 PolarHBondContact O-N 3Å
209E91.1Very high94.3Very high89 Ų8932.5 Ų32.542%0.41618%0.176SC..Hα-helixtrans-78.6-28.3179.7-67.8-172.3178.700113.7C205 L206 P211 K278C205-E209 PolarHBondContact O-N 3.29Å; L206-E209 PolarHBondContact O-N 2.69Å; L206-E209 VanDerWaalsContact O-N 3.15Å; E209-P211 VanDerWaalsContact C-CD 3.41Å; E209-P211 VanDerWaalsContact O-CD 3.3Å; E209-P211 WeakPolarHBondContact O-CD 3.49Å; E209-K278 WeakPolarHBondContact OE2-CE 3.12Å; E209-K278 IonicContact OE2-NZ 2.83Å; E209-K278 PolarHBondContact OE2-NZ 2.96Å
210Y92.5Very high94.2Very high10 Ų1032.5 Ų32.54%0.03918%0.176CC..  trans-120.671-179.8-65.3-80.2000112L206 L212 V213 E266 Q270 L275 P276 K278L206-Y210 HydrophobicContact CB-CD2 4.43Å; L206-Y210 HydrophobicContact CD2-CD2 4.07Å; L206-Y210 HydrophobicContact CD2-CE2 3.84Å; L206-Y210 WeakPolarHBondContact O-CB 3.35Å; L206-Y210 PolarHBondContact O-N 3.43Å; Y210-L212 PolarHBondContact O-N 3.25Å; Y210-V213 PolarHBondContact O-N 3.12Å; Y210-E266 HydrophobicContact CE2-CG 4.13Å; Y210-E266 PolarHBondContact OH-OE1 3.06Å; Y210-Q270 PolarHBondContact OH-NE2 2.79Å; Y210-Q270 VanDerWaalsContact OH-NE2 3.09Å; Y210-L275 HydrophobicContact CD1-CD2 4.19Å; Y210-L275 HydrophobicContact CD2-CD2 4.04Å; Y210-L275 HydrophobicContact CE1-CB 4.04Å; Y210-L275 HydrophobicContact CE1-CD2 4.27Å; Y210-L275 HydrophobicContact CE1-CG 4.5Å; Y210-L275 HydrophobicContact CE2-CD1 3.82Å; Y210-L275 HydrophobicContact CE2-CD2 4.13Å; Y210-L275 HydrophobicContact CE2-CG 4.46Å; Y210-L275 HydrophobicContact CG-CD2 4.06Å; Y210-P276 VanDerWaalsContact CE1-O 3.29Å; Y210-P276 WeakPolarHBondContact CE1-O 3.4Å; Y210-K278 HydrophobicContact CE1-CG 3.83Å; Y210-K278 VanDerWaalsContact CZ-CE 3.47Å; Y210-K278 VanDerWaalsContact OH-CE 3.29Å; Y210-K278 WeakPolarHBondContact OH-CE 3.48Å
211P90.8Very high93.9Very high30 Ų3034.5 Ų34.520%0.19519%0.19CC..THydrogen-bonded Turntrans-59.9-20.6-177.9-24.733.7000114.3R158 F159 E160 E209 V213R158-P211 CarbonylContact C-O 3.54Å; R158-P211 WeakPolarHBondContact CA-O 3.43Å; R158-P211 HydrophobicContact CB-CB 4.1Å; R158-P211 HydrophobicContact CG-CB 4.02Å; F159-P211 PolarHBondContact N-O 2.91Å; E160-P211 HydrophobicContact CG-CB 3.99Å; E160-P211 HydrophobicContact CG-CG 4.35Å; E209-P211 VanDerWaalsContact C-CD 3.41Å; E209-P211 VanDerWaalsContact O-CD 3.3Å; E209-P211 WeakPolarHBondContact O-CD 3.49Å; P211-V213 VanDerWaalsContact C-N 3.31Å
212L90.9Very high93.6Very high41 Ų4134.4 Ų34.422%0.21519%0.186CC..THydrogen-bonded Turntrans-85.4-7-179.6-62.5173.9000113.1C154 R158 Y210C154-L212 HydrophobicContact CB-CD1 4.36Å; R158-L212 HydrophobicContact CG-CD2 4.22Å; Y210-L212 PolarHBondContact O-N 3.25Å
213V93.1Very high93.2Very high0 Ų035.1 Ų35.10%019%0.189CC..EExtended strand (participates in β ladder)trans-101.3129.3179.2178.90000108.7L183 M185 Y210 P211 F215 L275 P276L183-V213 HydrophobicContact CB-CG2 4.43Å; L183-V213 HydrophobicContact CD2-CG1 3.63Å; L183-V213 HydrophobicContact CD2-CG2 4.31Å; M185-V213 HydrophobicContact CG-CG1 3.98Å; M185-V213 HydrophobicContact SD-CG1 4.28Å; Y210-V213 PolarHBondContact O-N 3.12Å; P211-V213 VanDerWaalsContact C-N 3.31Å; V213-F215 HydrophobicContact CB-CD2 4.25Å; V213-F215 HydrophobicContact CB-CE2 3.6Å; V213-F215 HydrophobicContact CB-CZ 3.95Å; V213-F215 HydrophobicContact CG1-CD1 4.41Å; V213-F215 HydrophobicContact CG1-CD2 4.04Å; V213-F215 HydrophobicContact CG1-CE1 4.01Å; V213-F215 HydrophobicContact CG1-CE2 3.58Å; V213-F215 HydrophobicContact CG1-CG 4.45Å; V213-F215 HydrophobicContact CG1-CZ 3.57Å; V213-F215 WeakPolarHBondContact O-CD2 2.94Å; V213-F215 PolarHBondContact O-N 2.95Å; V213-L275 HydrophobicContact CG2-CD2 4.5Å; V213-P276 HydrophobicContact CG2-CG 3.94Å
214K95.1Very high92.6Very high11 Ų1141.7 Ų41.75%0.04824%0.235CC..EExtended strand (participates in β ladder)trans-86.9107.7176.4-176178.3179.6-179.50109.3F159 A174 E178 T182 L183 I184 M185F159-K214 HydrophobicContact CB-CB 4.45Å; F159-K214 HydrophobicContact CD1-CB 3.97Å; F159-K214 HydrophobicContact CD1-CD 4.11Å; F159-K214 HydrophobicContact CD1-CG 3.79Å; F159-K214 HydrophobicContact CD2-CB 3.87Å; F159-K214 HydrophobicContact CE1-CB 4.14Å; F159-K214 HydrophobicContact CE1-CD 3.82Å; F159-K214 HydrophobicContact CE1-CG 4Å; F159-K214 HydrophobicContact CE2-CB 4.07Å; F159-K214 HydrophobicContact CG-CB 3.84Å; F159-K214 HydrophobicContact CG-CG 4.1Å; F159-K214 HydrophobicContact CZ-CB 4.2Å; F159-K214 HydrophobicContact CZ-CD 4.31Å; A174-K214 PolarHBondContact O-NZ 3.5Å; E178-K214 HydrophobicContact CG-CD 4.23Å; E178-K214 WeakPolarHBondContact OE2-CD 3.31Å; E178-K214 IonicContact OE2-NZ 3Å; E178-K214 PolarHBondContact OE2-NZ 3.27Å; T182-K214 HydrophobicContact CG2-CB 4.19Å; L183-K214 PolarHBondContact O-N 3.3Å; I184-K214 CarbonylContact C-O 3.46Å; I184-K214 WeakPolarHBondContact CA-O 3.36Å; I184-K214 HydrophobicContact CG1-CB 4.27Å; I184-K214 HydrophobicContact CG1-CD 4.38Å; I184-K214 HydrophobicContact CG2-CB 4.41Å; I184-K214 HydrophobicContact CG2-CD 4.36Å; I184-K214 HydrophobicContact CG2-CG 4.44Å; M185-K214 PolarHBondContact N-O 3.18Å
215F96.8Very high92Very high0 Ų038.1 Ų38.10%022%0.216CC..EExtended strand (participates in β ladder)trans-93.7130.1174.5-64.5-85.7000110.7V162 Q163 M185 L203 L206 A207 V213V162-F215 CarbonylContact C-O 3.52Å; V162-F215 WeakPolarHBondContact CA-O 3.46Å; V162-F215 HydrophobicContact CG2-CB 4.02Å; Q163-F215 PolarHBondContact N-O 3.09Å; M185-F215 HydrophobicContact CB-CD1 3.8Å; M185-F215 HydrophobicContact CB-CE1 4.1Å; M185-F215 HydrophobicContact CG-CD1 4.37Å; M185-F215 HydrophobicContact CG-CE1 4.19Å; M185-F215 CarbonylContact O-C 3.57Å; M185-F215 WeakPolarHBondContact O-CA 3.2Å; M185-F215 HydrophobicContact SD-CD1 4.14Å; M185-F215 HydrophobicContact SD-CE1 3.45Å; M185-F215 WeakPolarHBondContact SD-CE1 3.03Å; M185-F215 HydrophobicContact SD-CZ 4.19Å; L203-F215 HydrophobicContact CD2-CD1 3.64Å; L203-F215 HydrophobicContact CD2-CE1 3.83Å; L206-F215 HydrophobicContact CB-CE1 4.17Å; L206-F215 HydrophobicContact CB-CE2 4.41Å; L206-F215 HydrophobicContact CB-CZ 3.85Å; A207-F215 VanDerWaalsContact CA-CD2 3.46Å; A207-F215 HydrophobicContact CB-CB 4.32Å; A207-F215 HydrophobicContact CB-CD2 3.7Å; A207-F215 HydrophobicContact CB-CE2 4.35Å; A207-F215 HydrophobicContact CB-CG 4.25Å; V213-F215 HydrophobicContact CB-CD2 4.25Å; V213-F215 HydrophobicContact CB-CE2 3.6Å; V213-F215 HydrophobicContact CB-CZ 3.95Å; V213-F215 HydrophobicContact CG1-CD1 4.41Å; V213-F215 HydrophobicContact CG1-CD2 4.04Å; V213-F215 HydrophobicContact CG1-CE1 4.01Å; V213-F215 HydrophobicContact CG1-CE2 3.58Å; V213-F215 HydrophobicContact CG1-CG 4.45Å; V213-F215 HydrophobicContact CG1-CZ 3.57Å; V213-F215 WeakPolarHBondContact O-CD2 2.94Å; V213-F215 PolarHBondContact O-N 2.95Å
216C96.7Very high91.6Very high0 Ų038.5 Ų38.50%022%0.22CC..EExtended strand (participates in β ladder)trans-128.7154.6175.2-56.60000110.9Q163 L165 M185 I186 H187Q163-C216 CarbonylContact O-C 3.59Å; Q163-C216 WeakPolarHBondContact O-CA 3.43Å; Q163-C216 WeakPolarHBondContact O-CB 3.17Å; L165-C216 HydrophobicContact CD1-CB 3.76Å; L165-C216 HydrophobicContact CG-CB 4.06Å; M185-C216 PolarHBondContact O-N 2.9Å; I186-C216 WeakPolarHBondContact CA-O 3.38Å; I186-C216 HydrophobicContact CG1-CB 4.18Å; I186-C216 HydrophobicContact CG2-CB 4.37Å; H187-C216 PolarHBondContact N-O 2.82Å
217C95.8Very high91Very high19 Ų1941 Ų4113%0.12824%0.24CC..EExtended strand (participates in β ladder)trans-126.9146167.861.60000110.1V162 Q163 E164 L165 H187 Y189V162-C217 HydrophobicContact CG1-CB 4.14Å; Q163-C217 PolarHBondContact O-N 3.32Å; E164-C217 WeakPolarHBondContact CA-O 3.31Å; L165-C217 PolarHBondContact N-O 3.43Å; H187-C217 HydrophobicContact CB-CB 4.48Å; H187-C217 CarbonylContact O-C 3.5Å; H187-C217 VanDerWaalsContact O-CA 3.31Å; H187-C217 WeakPolarHBondContact O-CA 3.45Å; Y189-C217 HydrophobicContact CD1-CB 4.09Å; Y189-C217 HydrophobicContact CE1-CB 3.92Å
218V95.8Very high90.5Very high0 Ų047.6 Ų47.60%027%0.274CS..EExtended strand (participates in β ladder)trans-144.4134.7-179.5640000109.6L165 F171 I186 H187 I188 Y189 A222 I223L165-V218 HydrophobicContact CB-CB 4.11Å; L165-V218 HydrophobicContact CB-CG2 4.13Å; F171-V218 HydrophobicContact CD2-CG1 4.39Å; I186-V218 HydrophobicContact CG2-CB 4.49Å; I186-V218 HydrophobicContact CG2-CG1 3.7Å; H187-V218 PolarHBondContact O-N 2.78Å; I188-V218 WeakPolarHBondContact CA-O 3.32Å; I188-V218 HydrophobicContact CB-CG1 4.35Å; I188-V218 HydrophobicContact CG1-CG1 3.81Å; Y189-V218 VanDerWaalsContact CD1-O 3.26Å; Y189-V218 WeakPolarHBondContact CD1-O 3.13Å; Y189-V218 PolarHBondContact N-O 3.01Å; V218-A222 HydrophobicContact CG2-CB 4.3Å; V218-I223 HydrophobicContact CG1-CD1 3.81Å; V218-I223 HydrophobicContact CG2-CD1 4.22Å; V218-I223 HydrophobicContact CG2-CG1 4.4Å; V218-I223 HydrophobicContact CG2-CG2 3.55Å
219R94Very high90.3Very high94 Ų9443.5 Ų43.536%0.35526%0.255SS..EExtended strand (participates in β ladder)trans-70.9136.1174.1-65.9-175.373.8131.9-1.5109.3Y189 E190 P191 S221 A222Y189-R219 HydrophobicContact CE1-CG 3.92Å; Y189-R219 HydrophobicContact CE2-CG 4.2Å; Y189-R219 CarbonylContact O-C 3.56Å; Y189-R219 WeakPolarHBondContact O-CA 3.38Å; E190-R219 IonicContact OE1-CZ 3.45Å; E190-R219 IonicContact OE1-NE 2.65Å; E190-R219 PolarHBondContact OE1-NE 3.23Å; E190-R219 IonicContact OE1-NH2 3.91Å; E190-R219 PolarHBondContact OE1-NH2 3.27Å; P191-R219 VanDerWaalsContact CG-NH2 3.32Å; R219-S221 PolarHBondContact O-N 2.92Å; R219-S221 VanDerWaalsContact O-N 3.08Å; R219-A222 HydrophobicContact CB-CB 4.28Å; R219-A222 WeakPolarHBondContact O-CB 3.43Å; R219-A222 PolarHBondContact O-N 3.39Å
220S91.5Very high89.9Confident0 Ų044 Ų440%025%0.253CS..THydrogen-bonded Turntrans-63-20.3178.7-170.70000113.2Y189 R230Y189-S220 PolarHBondContact O-N 2.92Å; S220-R230 WeakPolarHBondContact OG-CG 3.26Å
221S89.4Confident89.5Confident75 Ų7551.2 Ų51.252%0.52429%0.287SS..THydrogen-bonded Turntrans-76.5-22.4172.451.80000114.4R219 I223R219-S221 PolarHBondContact O-N 2.92Å; R219-S221 VanDerWaalsContact O-N 3.08Å; S221-I223 VanDerWaalsContact C-N 3.32Å
222A88Confident89.4Confident33 Ų3353.5 Ų53.527%0.27330%0.303SS..THydrogen-bonded Turntrans-80.7-14.2178.600000113.3G166 G168 V218 R219G166-A222 WeakPolarHBondContact O-CB 3.28Å; G168-A222 PolarHBondContact N-O 3.35Å; V218-A222 HydrophobicContact CG2-CB 4.3Å; R219-A222 HydrophobicContact CB-CB 4.28Å; R219-A222 WeakPolarHBondContact O-CB 3.43Å; R219-A222 PolarHBondContact O-N 3.39Å
223I88.3Confident89.4Confident20 Ų2052 Ų5210%0.10330%0.297CS..THydrogen-bonded Turntrans-122148.8-17956.4178.7000110.9F171 I188 V218 S221 I225F171-I223 HydrophobicContact CB-CG2 4.4Å; I188-I223 HydrophobicContact CD1-CD1 4.13Å; I188-I223 HydrophobicContact CG1-CD1 4.17Å; I188-I223 HydrophobicContact CG2-CD1 4.04Å; V218-I223 HydrophobicContact CG1-CD1 3.81Å; V218-I223 HydrophobicContact CG2-CD1 4.22Å; V218-I223 HydrophobicContact CG2-CG1 4.4Å; V218-I223 HydrophobicContact CG2-CG2 3.55Å; S221-I223 VanDerWaalsContact C-N 3.32Å; I223-I225 HydrophobicContact CD1-CD1 3.23Å; I223-I225 HydrophobicContact CD1-CG1 3.93Å; I223-I225 HydrophobicContact CG1-CD1 3.63Å; I223-I225 HydrophobicContact CG1-CG1 3.84Å; I223-I225 PolarHBondContact O-N 2.86Å
224S83.3Confident89.4Confident139 Ų13952.3 Ų52.397%0.97230%0.299SS*.THydrogen-bonded Turntrans-73.970.1-175.9-61.30000112.1
225I82.8Confident89.3Confident38 Ų3851.8 Ų51.820%0.19530%0.296CS..  trans-107.1146-179.8-73.9-175.7000111.2I188 I223 F229 R230I188-I225 HydrophobicContact CD1-CD1 3.88Å; I188-I225 HydrophobicContact CG2-CD1 4.06Å; I223-I225 HydrophobicContact CD1-CD1 3.23Å; I223-I225 HydrophobicContact CD1-CG1 3.93Å; I223-I225 HydrophobicContact CG1-CD1 3.63Å; I223-I225 HydrophobicContact CG1-CG1 3.84Å; I223-I225 PolarHBondContact O-N 2.86Å; I225-F229 HydrophobicContact CD1-CD1 4.26Å; I225-F229 HydrophobicContact CD1-CE1 4.21Å; I225-F229 HydrophobicContact CG2-CB 3.54Å; I225-F229 HydrophobicContact CG2-CD1 3.38Å; I225-F229 HydrophobicContact CG2-CE1 4.29Å; I225-F229 HydrophobicContact CG2-CG 3.67Å; I225-R230 PolarHBondContact O-NH2 2.9Å
226S86Confident89.3Confident74 Ų7451.8 Ų51.852%0.51730%0.296SS..  trans-61.9147.4179.773.10000112.1L228 F229 R230S226-L228 VanDerWaalsContact C-N 3.26Å; S226-L228 PolarHBondContact O-N 2.89Å; S226-F229 PolarHBondContact O-N 2.88Å; S226-F229 VanDerWaalsContact O-N 3.15Å; S226-F229 WeakPolarHBondContact OG-CB 3.39Å; S226-F229 PolarHBondContact OG-N 3.27Å; S226-R230 PolarHBondContact O-N 2.89Å
227A83.3Confident89.2Confident51 Ų5151.8 Ų51.842%0.42130%0.296SS..Hα-helixtrans-60.3-36.8178.500000112.3F229 R230 E231A227-F229 VanDerWaalsContact C-N 3.29Å; A227-F229 PolarHBondContact O-N 3.08Å; A227-R230 WeakPolarHBondContact O-CB 3.23Å; A227-R230 PolarHBondContact O-N 2.89Å; A227-R230 VanDerWaalsContact O-N 3.14Å; A227-E231 PolarHBondContact O-N 3.46Å; A227-E231 VanDerWaalsContact O-N 3.11Å
228L84Confident89.2Confident140 Ų14051.8 Ų51.873%0.73330%0.295SS*.Hα-helixtrans-61.4-37.3176.4-68.7171.9000112.6S226 S232S226-L228 VanDerWaalsContact C-N 3.26Å; S226-L228 PolarHBondContact O-N 2.89Å; L228-S232 WeakPolarHBondContact O-CB 3.31Å; L228-S232 PolarHBondContact O-N 3.41Å
229F87.1Confident89.3Confident49 Ų4951.8 Ų51.822%0.21530%0.295CS..Hα-helixtrans-69.1-39176.3-171.8-81.1000110.9I188 I225 S226 A227 E231 A233 L234 A236 V250I188-F229 HydrophobicContact CD1-CE1 4.48Å; I225-F229 HydrophobicContact CD1-CD1 4.26Å; I225-F229 HydrophobicContact CD1-CE1 4.21Å; I225-F229 HydrophobicContact CG2-CB 3.54Å; I225-F229 HydrophobicContact CG2-CD1 3.38Å; I225-F229 HydrophobicContact CG2-CE1 4.29Å; I225-F229 HydrophobicContact CG2-CG 3.67Å; S226-F229 PolarHBondContact O-N 2.88Å; S226-F229 VanDerWaalsContact O-N 3.15Å; S226-F229 WeakPolarHBondContact OG-CB 3.39Å; S226-F229 PolarHBondContact OG-N 3.27Å; A227-F229 VanDerWaalsContact C-N 3.29Å; A227-F229 PolarHBondContact O-N 3.08Å; F229-E231 VanDerWaalsContact C-N 3.33Å; F229-E231 PolarHBondContact O-N 2.81Å; F229-A233 HydrophobicContact CB-CB 4.2Å; F229-A233 HydrophobicContact CD1-CB 3.81Å; F229-A233 HydrophobicContact CD2-CB 3.33Å; F229-A233 HydrophobicContact CE1-CB 3.96Å; F229-A233 HydrophobicContact CE2-CB 3.48Å; F229-A233 VanDerWaalsContact CE2-CB 3.48Å; F229-A233 HydrophobicContact CG-CB 3.51Å; F229-A233 HydrophobicContact CZ-CB 3.8Å; F229-A233 WeakPolarHBondContact O-CA 3.43Å; F229-A233 WeakPolarHBondContact O-CB 3.45Å; F229-A233 PolarHBondContact O-N 2.72Å; F229-L234 HydrophobicContact CD1-CD2 4.09Å; F229-L234 HydrophobicContact CE1-CD2 3.67Å; F229-A236 HydrophobicContact CE1-CB 4.15Å; F229-A236 HydrophobicContact CZ-CB 3.8Å; F229-V250 HydrophobicContact CE2-CG2 4.34Å
230R83.6Confident89.3Confident101 Ų10148.9 Ų48.938%0.38128%0.284SS..Hα-helixtrans-58.7-43.6175.3-86.3-177.3-85.7141.5-7.8113I193 S220 I225 S226 A227 L234I193-R230 WeakPolarHBondContact CD1-O 3.41Å; S220-R230 WeakPolarHBondContact OG-CG 3.26Å; I225-R230 PolarHBondContact O-NH2 2.9Å; S226-R230 PolarHBondContact O-N 2.89Å; A227-R230 WeakPolarHBondContact O-CB 3.23Å; A227-R230 PolarHBondContact O-N 2.89Å; A227-R230 VanDerWaalsContact O-N 3.14Å; R230-L234 HydrophobicContact CG-CD1 4.45Å; R230-L234 WeakPolarHBondContact O-CD1 3.44Å
231E84.3Confident89.4Confident161 Ų16153.5 Ų53.575%0.75230%0.304SS*.Hα-helixtrans-79-35.9-176-69.3175.2-171.600113.2A227 F229A227-E231 PolarHBondContact O-N 3.46Å; A227-E231 VanDerWaalsContact O-N 3.11Å; F229-E231 VanDerWaalsContact C-N 3.33Å; F229-E231 PolarHBondContact O-N 2.81Å
232S87.8Confident89.4Confident77 Ų7751.8 Ų51.854%0.53830%0.299SS..Hα-helixtrans-116.4-15.3-167.6-173.90000114.8L228 R251L228-S232 WeakPolarHBondContact O-CB 3.31Å; L228-S232 PolarHBondContact O-N 3.41Å; S232-R251 WeakPolarHBondContact O-CD 3.13Å; S232-R251 WeakPolarHBondContact O-CG 3.42Å
233A90.4Very high89.4Confident9 Ų952.6 Ų52.67%0.07431%0.31CS..THydrogen-bonded Turntrans-108.5-8.6-168.500000114.3F229 V250 R251F229-A233 HydrophobicContact CB-CB 4.2Å; F229-A233 HydrophobicContact CD1-CB 3.81Å; F229-A233 HydrophobicContact CD2-CB 3.33Å; F229-A233 HydrophobicContact CE1-CB 3.96Å; F229-A233 HydrophobicContact CE2-CB 3.48Å; F229-A233 VanDerWaalsContact CE2-CB 3.48Å; F229-A233 HydrophobicContact CG-CB 3.51Å; F229-A233 HydrophobicContact CZ-CB 3.8Å; F229-A233 WeakPolarHBondContact O-CA 3.43Å; F229-A233 WeakPolarHBondContact O-CB 3.45Å; F229-A233 PolarHBondContact O-N 2.72Å; A233-V250 HydrophobicContact CB-CG1 3.61Å; A233-V250 WeakPolarHBondContact O-CG1 3.46Å; A233-R251 PolarHBondContact O-N 3.11Å
234L92.6Very high89.6Confident8 Ų857.1 Ų57.14%0.04233%0.334CS..  trans-91153.1-177.2-57.4-179.2000111.9I188 E190 I193 F229 R230 A236I188-L234 HydrophobicContact CB-CD2 4.1Å; I188-L234 HydrophobicContact CG2-CD2 3.68Å; I188-L234 WeakPolarHBondContact O-CD2 3.47Å; E190-L234 HydrophobicContact CB-CD1 4.04Å; I193-L234 HydrophobicContact CD1-CB 3.61Å; I193-L234 HydrophobicContact CD1-CD1 3.57Å; I193-L234 HydrophobicContact CD1-CG 4.09Å; I193-L234 HydrophobicContact CG2-CB 4.29Å; F229-L234 HydrophobicContact CD1-CD2 4.09Å; F229-L234 HydrophobicContact CE1-CD2 3.67Å; R230-L234 HydrophobicContact CG-CD1 4.45Å; R230-L234 WeakPolarHBondContact O-CD1 3.44Å; L234-A236 HydrophobicContact CD2-CB 4.27Å
235P94.8Very high90.1Very high0 Ų054.6 Ų54.60%031%0.309CS..SBendcis-68.8138.7-9.227.5-32.8000111.7R251 L252 T253P235-R251 WeakPolarHBondContact O-CA 3.16Å; P235-R251 PolarHBondContact O-N 3.33Å; P235-L252 PolarHBondContact O-N 2.85Å; P235-L252 VanDerWaalsContact O-N 3.14Å; P235-T253 HydrophobicContact CG-CG2 3.88Å
236A95.1Very high90.7Very high0 Ų056.7 Ų56.70%032%0.32CS..EExtended strand (participates in β ladder)trans-117.7141.7178.100000111.2H187 I188 F229 L234 F249H187-A236 WeakPolarHBondContact CA-O 3.46Å; I188-A236 HydrophobicContact CB-CB 4.42Å; I188-A236 PolarHBondContact N-O 2.61Å; I188-A236 PolarHBondContact O-N 2.83Å; F229-A236 HydrophobicContact CE1-CB 4.15Å; F229-A236 HydrophobicContact CZ-CB 3.8Å; L234-A236 HydrophobicContact CD2-CB 4.27Å; A236-F249 CarbonylContact C-O 3.56Å; A236-F249 WeakPolarHBondContact CA-O 3.46Å
237L96.4Very high91.1Very high0 Ų053.6 Ų53.60%030%0.3CS..EExtended strand (participates in β ladder)trans-120.9118.5174.6-175.471.4000109.6M185 H187 M199 V239 F249 L252 L269M185-L237 HydrophobicContact CB-CD1 4.17Å; H187-L237 HydrophobicContact CB-CD1 4.33Å; M199-L237 HydrophobicContact CE-CB 4.01Å; M199-L237 HydrophobicContact CE-CD1 3.7Å; M199-L237 HydrophobicContact CE-CD2 3.81Å; M199-L237 HydrophobicContact CE-CG 4.04Å; L237-V239 HydrophobicContact CD2-CG2 4.33Å; L237-V239 HydrophobicContact CG-CG2 4.3Å; L237-F249 HydrophobicContact CB-CB 4.22Å; L237-F249 HydrophobicContact CB-CD2 4.39Å; L237-F249 HydrophobicContact CD2-CD2 4.32Å; L237-F249 PolarHBondContact N-O 2.81Å; L237-F249 PolarHBondContact O-N 2.9Å; L237-L252 HydrophobicContact CB-CD1 3.58Å; L237-L252 HydrophobicContact CD2-CD1 4.36Å; L237-L269 HydrophobicContact CD2-CD1 4.42Å; L237-L269 HydrophobicContact CD2-CD2 3.81Å
238L95.8Very high91.7Very high18 Ų1855.5 Ų55.59%0.09430%0.303CS..EExtended strand (participates in β ladder)trans-100.9135.5173.1-56.2-176.9000109.3F171 M185 I186 I188 Y240 L245 N248F171-L238 HydrophobicContact CZ-CD1 4.37Å; M185-L238 CarbonylContact C-O 3.6Å; M185-L238 WeakPolarHBondContact CA-O 3.03Å; I186-L238 PolarHBondContact N-O 2.64Å; I186-L238 PolarHBondContact O-N 3.17Å; I188-L238 HydrophobicContact CD1-CD1 3.61Å; I188-L238 HydrophobicContact CD1-CG 4.01Å; L238-Y240 HydrophobicContact CB-CD2 4.22Å; L238-Y240 HydrophobicContact CB-CE2 3.58Å; L238-Y240 HydrophobicContact CD1-CE2 4.1Å; L238-Y240 HydrophobicContact CG-CE2 4.5Å; L238-L245 HydrophobicContact CB-CD1 4.02Å; L238-L245 HydrophobicContact CD2-CD1 4.26Å; L238-N248 HydrophobicContact CD2-CB 4.22Å; L238-N248 WeakPolarHBondContact CD2-OD1 3.47Å
239V96.7Very high92.2Very high0 Ų049.7 Ų49.70%027%0.272CS..EExtended strand (participates in β ladder)trans-121.2120.8179.5-172.30000109L183 I184 M185 L237 I246 G247 F249 L274L183-V239 HydrophobicContact CD1-CG1 4.38Å; L183-V239 HydrophobicContact CD2-CG1 3.76Å; L183-V239 HydrophobicContact CG-CG1 4.07Å; I184-V239 CarbonylContact O-C 3.58Å; I184-V239 WeakPolarHBondContact O-CA 3.44Å; M185-V239 HydrophobicContact CE-CG1 4.21Å; M185-V239 HydrophobicContact CE-CG2 4.29Å; M185-V239 HydrophobicContact CG-CG1 4.17Å; M185-V239 HydrophobicContact CG-CG2 4.12Å; L237-V239 HydrophobicContact CD2-CG2 4.33Å; L237-V239 HydrophobicContact CG-CG2 4.3Å; V239-I246 HydrophobicContact CB-CG1 4.18Å; V239-I246 HydrophobicContact CG1-CD1 3.93Å; V239-I246 HydrophobicContact CG1-CG1 3.81Å; V239-I246 VanDerWaalsContact O-CG1 3.28Å; V239-I246 WeakPolarHBondContact O-CG1 3.46Å; V239-I246 PolarHBondContact O-N 2.88Å; V239-G247 PolarHBondContact N-O 2.83Å; V239-G247 PolarHBondContact O-N 3.19Å; V239-G247 VanDerWaalsContact O-N 3.11Å; V239-F249 HydrophobicContact CG2-CD2 4.4Å; V239-F249 HydrophobicContact CG2-CE2 4.09Å; V239-L274 HydrophobicContact CB-CD1 4.46Å; V239-L274 HydrophobicContact CG1-CD2 4.3Å; V239-L274 HydrophobicContact CG2-CD1 4.14Å
240Y95.4Very high92.5Very high33 Ų3350.3 Ų50.313%0.12928%0.28CS..EExtended strand (participates in β ladder)trans-117148.2-178.7-67.7-94.8000111.4F171 L175 I184 I186 L238 D244 L245F171-Y240 HydrophobicContact CZ-CE2 4.19Å; L175-Y240 HydrophobicContact CD1-CD1 4.2Å; L175-Y240 HydrophobicContact CD1-CD2 4.31Å; L175-Y240 HydrophobicContact CD1-CE1 4Å; L175-Y240 HydrophobicContact CD1-CE2 4.09Å; L175-Y240 HydrophobicContact CD1-CG 4.35Å; L175-Y240 HydrophobicContact CD2-CD1 4.09Å; L175-Y240 HydrophobicContact CD2-CD2 3.59Å; L175-Y240 HydrophobicContact CD2-CE2 4.17Å; L175-Y240 HydrophobicContact CD2-CG 3.53Å; I184-Y240 PolarHBondContact N-O 3.38Å; I184-Y240 PolarHBondContact O-N 3.35Å; I186-Y240 HydrophobicContact CD1-CD2 4.44Å; I186-Y240 HydrophobicContact CD1-CE2 4.39Å; L238-Y240 HydrophobicContact CB-CD2 4.22Å; L238-Y240 HydrophobicContact CB-CE2 3.58Å; L238-Y240 HydrophobicContact CD1-CE2 4.1Å; L238-Y240 HydrophobicContact CG-CE2 4.5Å; Y240-D244 CarbonylContact C-O 3.55Å; Y240-D244 VanDerWaalsContact CA-O 3.23Å; Y240-D244 WeakPolarHBondContact CA-O 3.2Å; Y240-L245 HydrophobicContact CD1-CB 4.08Å; Y240-L245 HydrophobicContact CD1-CD1 4.22Å; Y240-L245 HydrophobicContact CD2-CD1 4.17Å; Y240-L245 HydrophobicContact CE1-CB 3.77Å; Y240-L245 HydrophobicContact CE1-CD1 3.83Å; Y240-L245 HydrophobicContact CE1-CG 4.37Å; Y240-L245 HydrophobicContact CE2-CD1 3.78Å; Y240-L245 HydrophobicContact CG-CD1 4.39Å
241K93.1Very high92.9Very high98 Ų9850.1 Ų50.143%0.42628%0.279SS..EExtended strand (participates in β ladder)trans-149.7126.7170.1-174.9174179.9176.20109.3G243 D244 I246K241-G243 PolarHBondContact O-N 2.97Å; K241-D244 PolarHBondContact N-O 3.19Å; K241-D244 PolarHBondContact O-N 3.14Å; K241-D244 VanDerWaalsContact O-N 3.08Å; K241-I246 HydrophobicContact CB-CD1 3.84Å; K241-I246 HydrophobicContact CB-CG1 4.45Å; K241-I246 HydrophobicContact CB-CG2 4.35Å
242G89Confident93.3Very high39 Ų3942.6 Ų42.640%0.40224%0.244SC..THydrogen-bonded Turntrans64.122.518000000115.2K180 D244K180-G242 WeakPolarHBondContact O-CA 3.28Å; K180-G242 PolarHBondContact O-N 3.39Å; G242-D244 VanDerWaalsContact C-N 3.28Å
243G88.6Confident93.5Very high49 Ų4940.1 Ų40.151%0.50523%0.225SC..THydrogen-bonded Turntrans87.7-13.7-173.600000114.2K241K241-G243 PolarHBondContact O-N 2.97Å
244D92.2Very high93.6Very high116 Ų11644.2 Ų44.262%0.6225%0.246SC*.EExtended strand (participates in β ladder)trans-87.6138.6178.8-65.9-38.4000111.3Y240 K241 G242 I246Y240-D244 CarbonylContact C-O 3.55Å; Y240-D244 VanDerWaalsContact CA-O 3.23Å; Y240-D244 WeakPolarHBondContact CA-O 3.2Å; K241-D244 PolarHBondContact N-O 3.19Å; K241-D244 PolarHBondContact O-N 3.14Å; K241-D244 VanDerWaalsContact O-N 3.08Å; G242-D244 VanDerWaalsContact C-N 3.28Å; D244-I246 PolarHBondContact O-N 2.84Å
245L94.1Very high93.4Very high85 Ų8549.1 Ų49.145%0.44527%0.269SS..EExtended strand (participates in β ladder)trans-78.9105.6171.2-179.369.5000109.1L238 Y240 G247 N248L238-L245 HydrophobicContact CB-CD1 4.02Å; L238-L245 HydrophobicContact CD2-CD1 4.26Å; Y240-L245 HydrophobicContact CD1-CB 4.08Å; Y240-L245 HydrophobicContact CD1-CD1 4.22Å; Y240-L245 HydrophobicContact CD2-CD1 4.17Å; Y240-L245 HydrophobicContact CE1-CB 3.77Å; Y240-L245 HydrophobicContact CE1-CD1 3.83Å; Y240-L245 HydrophobicContact CE1-CG 4.37Å; Y240-L245 HydrophobicContact CE2-CD1 3.78Å; Y240-L245 HydrophobicContact CG-CD1 4.39Å; L245-G247 VanDerWaalsContact CD1-O 3.31Å; L245-G247 WeakPolarHBondContact CD1-O 3.5Å; L245-N248 HydrophobicContact CD2-CB 4.32Å
246I95.1Very high93.3Very high82 Ų8251 Ų5142%0.42128%0.278SS..EExtended strand (participates in β ladder)trans-97.2-21.4-177.261.4167.8000113.2L183 V239 K241 D244 L274L183-I246 HydrophobicContact CD1-CD1 4.22Å; V239-I246 HydrophobicContact CB-CG1 4.18Å; V239-I246 HydrophobicContact CG1-CD1 3.93Å; V239-I246 HydrophobicContact CG1-CG1 3.81Å; V239-I246 VanDerWaalsContact O-CG1 3.28Å; V239-I246 WeakPolarHBondContact O-CG1 3.46Å; V239-I246 PolarHBondContact O-N 2.88Å; K241-I246 HydrophobicContact CB-CD1 3.84Å; K241-I246 HydrophobicContact CB-CG1 4.45Å; K241-I246 HydrophobicContact CB-CG2 4.35Å; D244-I246 PolarHBondContact O-N 2.84Å; I246-L274 HydrophobicContact CD1-CD2 3.74Å; I246-L274 HydrophobicContact CG1-CD2 4.13Å
247G94.1Very high93.1Very high9 Ų952.4 Ų52.49%0.09329%0.294CS..EExtended strand (participates in β ladder)trans-143.8135.3178.500000111.4V239 L245V239-G247 PolarHBondContact N-O 2.83Å; V239-G247 PolarHBondContact O-N 3.19Å; V239-G247 VanDerWaalsContact O-N 3.11Å; L245-G247 VanDerWaalsContact CD1-O 3.31Å; L245-G247 WeakPolarHBondContact CD1-O 3.5Å
248N94.9Very high92.8Very high92 Ų9258.2 Ų58.249%0.49232%0.32SS..EExtended strand (participates in β ladder)trans-135.998.9176.6179.316.1000109.1L238 L245 V250L238-N248 HydrophobicContact CD2-CB 4.22Å; L238-N248 WeakPolarHBondContact CD2-OD1 3.47Å; L245-N248 HydrophobicContact CD2-CB 4.32Å; N248-V250 WeakPolarHBondContact OD1-CG2 3.14Å
249F94.6Very high92.6Very high17 Ų1764.6 Ų64.68%0.07536%0.355CS..EExtended strand (participates in β ladder)trans-101.5111.6179-56.2-86.5000108.7A236 L237 V239 L252 L269 Y272 L274A236-F249 CarbonylContact C-O 3.56Å; A236-F249 WeakPolarHBondContact CA-O 3.46Å; L237-F249 HydrophobicContact CB-CB 4.22Å; L237-F249 HydrophobicContact CB-CD2 4.39Å; L237-F249 HydrophobicContact CD2-CD2 4.32Å; L237-F249 PolarHBondContact N-O 2.81Å; L237-F249 PolarHBondContact O-N 2.9Å; V239-F249 HydrophobicContact CG2-CD2 4.4Å; V239-F249 HydrophobicContact CG2-CE2 4.09Å; F249-L252 HydrophobicContact CB-CD1 4.18Å; F249-L252 HydrophobicContact CB-CD2 3.79Å; F249-L252 HydrophobicContact CB-CG 3.81Å; F249-L252 HydrophobicContact CD1-CD2 4.35Å; F249-L252 HydrophobicContact CG-CD2 4.24Å; F249-L269 HydrophobicContact CE2-CD2 4.26Å; F249-Y272 AromaticContact CE1-CD2 3.63Å; F249-Y272 HydrophobicContact CE1-CD2 3.63Å; F249-Y272 AromaticContact CE1-CE2 3.61Å; F249-Y272 HydrophobicContact CE1-CE2 3.61Å; F249-Y272 HydrophobicContact CE1-CG 4.13Å; F249-Y272 AromaticContact CZ-CD2 3.82Å; F249-Y272 HydrophobicContact CZ-CD2 3.82Å; F249-Y272 HydrophobicContact CZ-CE2 4.28Å; F249-Y272 AromaticContact CZ-CG 4Å; F249-Y272 HydrophobicContact CZ-CG 4Å; F249-L274 HydrophobicContact CE2-CD1 3.38Å; F249-L274 HydrophobicContact CZ-CD1 3.43Å; F249-L274 VanDerWaalsContact CZ-CD1 3.43Å
250V93.8Very high92.6Very high63 Ų6364.9 Ų64.938%0.38236%0.356SS..  trans-104.4135.4179.2171.30000107.7F229 A233 N248F229-V250 HydrophobicContact CE2-CG2 4.34Å; A233-V250 HydrophobicContact CB-CG1 3.61Å; A233-V250 WeakPolarHBondContact O-CG1 3.46Å; N248-V250 WeakPolarHBondContact OD1-CG2 3.14Å
251R92.5Very high92.6Very high97 Ų9770.7 Ų70.737%0.36638%0.382SS..  trans4962.9-176.4-56172.873.1-143.9-8.8112.3S232 A233 P235 T253 D254S232-R251 WeakPolarHBondContact O-CD 3.13Å; S232-R251 WeakPolarHBondContact O-CG 3.42Å; A233-R251 PolarHBondContact O-N 3.11Å; P235-R251 WeakPolarHBondContact O-CA 3.16Å; P235-R251 PolarHBondContact O-N 3.33Å; R251-T253 PolarHBondContact O-N 2.95Å; R251-D254 IonicContact CZ-OD1 3.81Å; R251-D254 IonicContact CZ-OD2 3.51Å; R251-D254 IonicContact NE-OD1 2.77Å; R251-D254 IonicContact NE-OD2 3Å; R251-D254 VanDerWaalsContact NH1-CG 3.27Å; R251-D254 IonicContact NH1-OD1 2.64Å; R251-D254 PolarHBondContact NH1-OD1 3.37Å; R251-D254 VanDerWaalsContact NH1-OD1 3.17Å; R251-D254 IonicContact NH1-OD2 3.54Å; R251-D254 PolarHBondContact NH1-OD2 2.85Å; R251-D254 IonicContact NH2-OD1 3.52Å; R251-D254 PolarHBondContact NH2-OD1 3.11Å; R251-D254 IonicContact NH2-OD2 3.17Å; R251-D254 WeakPolarHBondContact O-CB 3.38Å; R251-D254 PolarHBondContact O-N 3.46Å
252L91.4Very high92.7Very high2 Ų266.7 Ų66.71%0.0137%0.368CS..THydrogen-bonded Turntrans-54-24177.7-88.1165.8000113.5M199 P235 L237 F249 D254 Q255 L256 L265 L268M199-L252 HydrophobicContact CE-CD1 3.65Å; M199-L252 HydrophobicContact SD-CD1 3.8Å; P235-L252 PolarHBondContact O-N 2.85Å; P235-L252 VanDerWaalsContact O-N 3.14Å; L237-L252 HydrophobicContact CB-CD1 3.58Å; L237-L252 HydrophobicContact CD2-CD1 4.36Å; F249-L252 HydrophobicContact CB-CD1 4.18Å; F249-L252 HydrophobicContact CB-CD2 3.79Å; F249-L252 HydrophobicContact CB-CG 3.81Å; F249-L252 HydrophobicContact CD1-CD2 4.35Å; F249-L252 HydrophobicContact CG-CD2 4.24Å; L252-D254 PolarHBondContact O-N 3.09Å; L252-Q255 PolarHBondContact O-N 3.03Å; L252-Q255 VanDerWaalsContact O-N 3.12Å; L252-L256 HydrophobicContact CD2-CD1 4.46Å; L252-L256 PolarHBondContact O-N 2.8Å; L252-L265 HydrophobicContact CD1-CD1 4.43Å; L252-L268 HydrophobicContact CD2-CD2 3.45Å; L252-L268 VanDerWaalsContact CD2-CD2 3.45Å
253T92Very high93Very high25 Ų2569.7 Ų69.715%0.15338%0.378CS..Hα-helixtrans-60.3-23.417449.30000114.4P235 R251 Q255 G257P235-T253 HydrophobicContact CG-CG2 3.88Å; R251-T253 PolarHBondContact O-N 2.95Å; T253-Q255 VanDerWaalsContact C-N 3.27Å; T253-Q255 PolarHBondContact O-N 2.88Å; T253-G257 WeakPolarHBondContact CA-O 3.35Å; T253-G257 CarbonylContact O-C 3.59Å; T253-G257 WeakPolarHBondContact O-CA 3.48Å; T253-G257 PolarHBondContact O-N 2.8Å
254D92.6Very high93.4Very high96 Ų9670.8 Ų70.851%0.51337%0.372SS..Hα-helixtrans-67.5-29.8174.6-75.6-25.1000112.9R251 L252R251-D254 IonicContact CZ-OD1 3.81Å; R251-D254 IonicContact CZ-OD2 3.51Å; R251-D254 IonicContact NE-OD1 2.77Å; R251-D254 IonicContact NE-OD2 3Å; R251-D254 VanDerWaalsContact NH1-CG 3.27Å; R251-D254 IonicContact NH1-OD1 2.64Å; R251-D254 PolarHBondContact NH1-OD1 3.37Å; R251-D254 VanDerWaalsContact NH1-OD1 3.17Å; R251-D254 IonicContact NH1-OD2 3.54Å; R251-D254 PolarHBondContact NH1-OD2 2.85Å; R251-D254 IonicContact NH2-OD1 3.52Å; R251-D254 PolarHBondContact NH2-OD1 3.11Å; R251-D254 IonicContact NH2-OD2 3.17Å; R251-D254 WeakPolarHBondContact O-CB 3.38Å; R251-D254 PolarHBondContact O-N 3.46Å; L252-D254 PolarHBondContact O-N 3.09Å
255Q89.7Confident93.5Very high110 Ų11065.2 Ų65.251%0.51434%0.343SS..Hα-helixtrans-97.4-41.1-176.1-63.41808.100111.5L252 T253L252-Q255 PolarHBondContact O-N 3.03Å; L252-Q255 VanDerWaalsContact O-N 3.12Å; T253-Q255 VanDerWaalsContact C-N 3.27Å; T253-Q255 PolarHBondContact O-N 2.88Å
256L91.7Very high93.5Very high39 Ų3962.3 Ų62.320%0.20433%0.327CS..Hα-helixtrans-100.3-14.8-173.8-59.8178.9000113.6L252 F260 D264 L265 L268L252-L256 HydrophobicContact CD2-CD1 4.46Å; L252-L256 PolarHBondContact O-N 2.8Å; L256-F260 HydrophobicContact CB-CB 3.91Å; L256-F260 HydrophobicContact CB-CD1 3.85Å; L256-F260 HydrophobicContact CB-CD2 4.42Å; L256-F260 HydrophobicContact CB-CE1 4.47Å; L256-F260 HydrophobicContact CB-CG 3.8Å; L256-F260 HydrophobicContact CD1-CD1 4.42Å; L256-F260 HydrophobicContact CD1-CD2 3.8Å; L256-F260 HydrophobicContact CD1-CE2 3.94Å; L256-F260 HydrophobicContact CD1-CG 4.05Å; L256-F260 HydrophobicContact CD1-CZ 4.29Å; L256-D264 HydrophobicContact CD2-CB 4.23Å; L256-L265 HydrophobicContact CD1-CB 4.35Å; L256-L265 HydrophobicContact CD1-CD1 4.13Å; L256-L268 HydrophobicContact CD1-CD2 4.12Å; L256-L268 HydrophobicContact CD2-CB 4.38Å; L256-L268 HydrophobicContact CD2-CD2 4.29Å; L256-L268 HydrophobicContact CG-CD2 4.24Å
257G92.3Very high93.5Very high31 Ų3161 Ų6132%0.3233%0.328SS..  trans82.1-178-167.600000112.8T253 F260T253-G257 WeakPolarHBondContact CA-O 3.35Å; T253-G257 CarbonylContact O-C 3.59Å; T253-G257 WeakPolarHBondContact O-CA 3.48Å; T253-G257 PolarHBondContact O-N 2.8Å; G257-F260 WeakPolarHBondContact O-CD1 3.46Å
258E90Very high93.5Very high121 Ų12161.2 Ų61.257%0.56533%0.327SS*.SBendtrans-81-30.9179.1-64.4-179.3178.800112.4P194P194-E258 HydrophobicContact CB-CG 4.32Å
259D91.8Very high93.4Very high153 Ų15356.9 Ų56.982%0.81830%0.304SS*.SBendtrans-110.889.4-179.2-69.6-31.3000110.2
260F95.3Very high93.3Very high6 Ų660.6 Ų60.63%0.02632%0.321CS..  trans-128.5164.2175.468.8-89.3000111.3A198 M199 L256 G257 D264 L265A198-F260 HydrophobicContact CB-CD1 4.07Å; A198-F260 HydrophobicContact CB-CE1 3.92Å; A198-F260 HydrophobicContact CB-CZ 4.27Å; M199-F260 HydrophobicContact CB-CZ 3.79Å; M199-F260 HydrophobicContact CG-CZ 4.36Å; M199-F260 HydrophobicContact SD-CE2 3.96Å; M199-F260 HydrophobicContact SD-CZ 3.69Å; L256-F260 HydrophobicContact CB-CB 3.91Å; L256-F260 HydrophobicContact CB-CD1 3.85Å; L256-F260 HydrophobicContact CB-CD2 4.42Å; L256-F260 HydrophobicContact CB-CE1 4.47Å; L256-F260 HydrophobicContact CB-CG 3.8Å; L256-F260 HydrophobicContact CD1-CD1 4.42Å; L256-F260 HydrophobicContact CD1-CD2 3.8Å; L256-F260 HydrophobicContact CD1-CE2 3.94Å; L256-F260 HydrophobicContact CD1-CG 4.05Å; L256-F260 HydrophobicContact CD1-CZ 4.29Å; G257-F260 WeakPolarHBondContact O-CD1 3.46Å; F260-D264 HydrophobicContact CB-CB 4.19Å; F260-L265 HydrophobicContact CD2-CB 4.35Å; F260-L265 HydrophobicContact CE2-CB 4.16Å; F260-L265 HydrophobicContact CE2-CD2 4.47Å
261F95.8Very high93.2Very high154 Ų15465.3 Ų65.368%0.67534%0.339SS*.  trans-120.2173.7-179.1-60.3-80.8000112.3V263 D264 L265F261-V263 PolarHBondContact O-N 3.08Å; F261-V263 VanDerWaalsContact O-N 3.1Å; F261-D264 PolarHBondContact N-OD2 2.91Å; F261-D264 PolarHBondContact O-N 2.87Å; F261-L265 PolarHBondContact O-N 3.25Å
262A95.7Very high93.1Very high15 Ų1566.6 Ų66.612%0.12435%0.345CS..Hα-helixtrans-52-36.1179.300000113.1S202 C205 L206 L265 E266S202-A262 PolarHBondContact OG-N 3.25Å; C205-A262 HydrophobicContact CB-CB 3.63Å; L206-A262 HydrophobicContact CG-CB 4.46Å; A262-L265 PolarHBondContact O-N 2.88Å; A262-E266 VanDerWaalsContact O-CB 3.26Å; A262-E266 WeakPolarHBondContact O-CB 3.47Å; A262-E266 PolarHBondContact O-N 3.07Å
263V95.6Very high93.1Very high101 Ų10169.4 Ų69.461%0.61237%0.374SS*.Hα-helixtrans-65.6-40.1179.6-177.20000111.8F261 E266 A267F261-V263 PolarHBondContact O-N 3.08Å; F261-V263 VanDerWaalsContact O-N 3.1Å; V263-E266 PolarHBondContact O-N 3.41Å; V263-A267 WeakPolarHBondContact O-CB 3.37Å; V263-A267 PolarHBondContact O-N 2.92Å
264D95.7Very high93Very high72 Ų7269 Ų6939%0.38537%0.371SS..Hα-helixtrans-69.8-42.7-179.2-51.7-55.5000110.4L256 F260 F261 A267 L268L256-D264 HydrophobicContact CD2-CB 4.23Å; F260-D264 HydrophobicContact CB-CB 4.19Å; F261-D264 PolarHBondContact N-OD2 2.91Å; F261-D264 PolarHBondContact O-N 2.87Å; D264-A267 PolarHBondContact O-N 2.84Å; D264-L268 PolarHBondContact O-N 2.87Å; D264-L268 VanDerWaalsContact O-N 3.11Å
265L94.6Very high92.9Very high0 Ų065.1 Ų65.10%035%0.35CS..Hα-helixtrans-65.9-39.3174.7-179.761.9000112M199 L203 L206 L252 L256 F260 F261 A262 L268 L269M199-L265 HydrophobicContact CE-CD1 3.91Å; M199-L265 HydrophobicContact CE-CD2 3.54Å; M199-L265 HydrophobicContact CE-CG 4.38Å; M199-L265 HydrophobicContact SD-CD1 4.01Å; M199-L265 HydrophobicContact SD-CD2 3.55Å; M199-L265 VanDerWaalsContact SD-CD2 3.55Å; M199-L265 HydrophobicContact SD-CG 4.41Å; L203-L265 HydrophobicContact CD2-CD2 3.89Å; L203-L265 HydrophobicContact CG-CD2 4.46Å; L206-L265 HydrophobicContact CD1-CB 4.36Å; L206-L265 HydrophobicContact CD1-CD2 3.63Å; L206-L265 HydrophobicContact CD1-CG 3.89Å; L252-L265 HydrophobicContact CD1-CD1 4.43Å; L256-L265 HydrophobicContact CD1-CB 4.35Å; L256-L265 HydrophobicContact CD1-CD1 4.13Å; F260-L265 HydrophobicContact CD2-CB 4.35Å; F260-L265 HydrophobicContact CE2-CB 4.16Å; F260-L265 HydrophobicContact CE2-CD2 4.47Å; F261-L265 PolarHBondContact O-N 3.25Å; A262-L265 PolarHBondContact O-N 2.88Å; L265-L268 PolarHBondContact O-N 3.21Å; L265-L269 HydrophobicContact CD1-CD1 4.12Å; L265-L269 HydrophobicContact CD1-CG 4.24Å; L265-L269 HydrophobicContact CG-CD1 3.97Å; L265-L269 HydrophobicContact CG-CG 4.49Å; L265-L269 WeakPolarHBondContact O-CB 3.48Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.4Å; L265-L269 PolarHBondContact O-N 3.27Å
266E94.9Very high92.6Very high23 Ų2362.5 Ų62.511%0.10734%0.343CS..Hα-helixtrans-59.7-48.9175.1-168.9-170163.600111L206 Y210 A262 V263 L268 L269 Q270 L275 K278L206-E266 HydrophobicContact CD2-CB 3.94Å; L206-E266 HydrophobicContact CD2-CG 4.17Å; Y210-E266 HydrophobicContact CE2-CG 4.13Å; Y210-E266 PolarHBondContact OH-OE1 3.06Å; A262-E266 VanDerWaalsContact O-CB 3.26Å; A262-E266 WeakPolarHBondContact O-CB 3.47Å; A262-E266 PolarHBondContact O-N 3.07Å; V263-E266 PolarHBondContact O-N 3.41Å; E266-L268 VanDerWaalsContact C-N 3.3Å; E266-L268 PolarHBondContact O-N 3.41Å; E266-L269 PolarHBondContact O-N 3.35Å; E266-Q270 HydrophobicContact CG-CG 4.43Å; E266-Q270 WeakPolarHBondContact O-CB 3.41Å; E266-Q270 WeakPolarHBondContact O-CG 3.44Å; E266-Q270 PolarHBondContact O-N 3.38Å; E266-Q270 PolarHBondContact OE1-NE2 2.77Å; E266-L275 HydrophobicContact CG-CD1 3.89Å; E266-K278 WeakPolarHBondContact OE1-CE 3.38Å; E266-K278 IonicContact OE1-NZ 2.96Å; E266-K278 PolarHBondContact OE1-NZ 3.45Å; E266-K278 IonicContact OE2-NZ 2.68Å; E266-K278 PolarHBondContact OE2-NZ 2.91Å
267A94.3Very high92.1Very high54 Ų5467.3 Ų67.345%0.44637%0.369SS..Hα-helixtrans-59.6-43.6-179.600000111.2V263 D264 Q270 E271V263-A267 WeakPolarHBondContact O-CB 3.37Å; V263-A267 PolarHBondContact O-N 2.92Å; D264-A267 PolarHBondContact O-N 2.84Å; A267-Q270 PolarHBondContact O-N 3.08Å; A267-E271 PolarHBondContact O-N 3.18Å
268L93.6Very high91.1Very high15 Ų1569.8 Ų69.88%0.07937%0.371CS..Hα-helixtrans-60-51.2175.4-173.270.4000111.2L252 L256 D264 L265 E266 Q270 E271 Y272L252-L268 HydrophobicContact CD2-CD2 3.45Å; L252-L268 VanDerWaalsContact CD2-CD2 3.45Å; L256-L268 HydrophobicContact CD1-CD2 4.12Å; L256-L268 HydrophobicContact CD2-CB 4.38Å; L256-L268 HydrophobicContact CD2-CD2 4.29Å; L256-L268 HydrophobicContact CG-CD2 4.24Å; D264-L268 PolarHBondContact O-N 2.87Å; D264-L268 VanDerWaalsContact O-N 3.11Å; L265-L268 PolarHBondContact O-N 3.21Å; E266-L268 VanDerWaalsContact C-N 3.3Å; E266-L268 PolarHBondContact O-N 3.41Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.43Å; L268-E271 WeakPolarHBondContact O-CB 2.95Å; L268-E271 PolarHBondContact O-N 2.85Å; L268-Y272 HydrophobicContact CD1-CD2 4.36Å; L268-Y272 HydrophobicContact CD1-CE2 3.79Å; L268-Y272 HydrophobicContact CG-CD2 4.33Å; L268-Y272 HydrophobicContact CG-CE2 4.16Å; L268-Y272 WeakPolarHBondContact O-CD2 3.44Å; L268-Y272 PolarHBondContact O-N 3.07Å
269L93.8Very high89.6Confident1 Ų169 Ų691%0.00538%0.376CS..Hα-helixtrans-65.8-31.2-178.5-67.9170.5000112.8M185 L206 L237 F249 L265 E266 G273 L274 L275M185-L269 HydrophobicContact CE-CD1 3.97Å; M185-L269 HydrophobicContact CE-CD2 4.03Å; M185-L269 HydrophobicContact CE-CG 4.47Å; M185-L269 HydrophobicContact SD-CD1 3.93Å; L206-L269 HydrophobicContact CD1-CD1 4.32Å; L237-L269 HydrophobicContact CD2-CD1 4.42Å; L237-L269 HydrophobicContact CD2-CD2 3.81Å; F249-L269 HydrophobicContact CE2-CD2 4.26Å; L265-L269 HydrophobicContact CD1-CD1 4.12Å; L265-L269 HydrophobicContact CD1-CG 4.24Å; L265-L269 HydrophobicContact CG-CD1 3.97Å; L265-L269 HydrophobicContact CG-CG 4.49Å; L265-L269 WeakPolarHBondContact O-CB 3.48Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.4Å; L265-L269 PolarHBondContact O-N 3.27Å; E266-L269 PolarHBondContact O-N 3.35Å; L269-G273 PolarHBondContact O-N 3.2Å; L269-L274 HydrophobicContact CD2-CB 4.41Å; L269-L274 HydrophobicContact CD2-CD1 4.23Å; L269-L274 PolarHBondContact O-N 3.47Å; L269-L275 HydrophobicContact CB-CD1 3.53Å; L269-L275 HydrophobicContact CB-CG 3.74Å; L269-L275 HydrophobicContact CD1-CD1 4.06Å; L269-L275 HydrophobicContact CD1-CG 4.32Å; L269-L275 HydrophobicContact CG-CD1 4.46Å
270Q92.8Very high87.7Confident95 Ų9566 Ų6644%0.44437%0.372SS..Hα-helixtrans-69.7-38.8172.7-79175.7-1.700112.4Y210 E266 A267 L268 Y272 G273 L275Y210-Q270 PolarHBondContact OH-NE2 2.79Å; Y210-Q270 VanDerWaalsContact OH-NE2 3.09Å; E266-Q270 HydrophobicContact CG-CG 4.43Å; E266-Q270 WeakPolarHBondContact O-CB 3.41Å; E266-Q270 WeakPolarHBondContact O-CG 3.44Å; E266-Q270 PolarHBondContact O-N 3.38Å; E266-Q270 PolarHBondContact OE1-NE2 2.77Å; A267-Q270 PolarHBondContact O-N 3.08Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.43Å; Q270-Y272 PolarHBondContact O-N 3.08Å; Q270-G273 PolarHBondContact O-N 3.31Å; Q270-L275 HydrophobicContact CG-CB 4.32Å; Q270-L275 HydrophobicContact CG-CD1 4.29Å
271E91.7Very high85.4Confident161 Ų16174 Ų7475%0.75241%0.412SS*.Hα-helixtrans-59.5-37176-171.1176.6-179.100111.4A267 L268 G273A267-E271 PolarHBondContact O-N 3.18Å; L268-E271 WeakPolarHBondContact O-CB 2.95Å; L268-E271 PolarHBondContact O-N 2.85Å; E271-G273 VanDerWaalsContact C-N 3.32Å
272Y90.8Very high82.8Confident124 Ų12473 Ų7349%0.48642%0.418SS..THydrogen-bonded Turntrans-82.8-1.5173.8-70.6-76.6000114.5F249 L268 Q270 L274F249-Y272 AromaticContact CE1-CD2 3.63Å; F249-Y272 HydrophobicContact CE1-CD2 3.63Å; F249-Y272 AromaticContact CE1-CE2 3.61Å; F249-Y272 HydrophobicContact CE1-CE2 3.61Å; F249-Y272 HydrophobicContact CE1-CG 4.13Å; F249-Y272 AromaticContact CZ-CD2 3.82Å; F249-Y272 HydrophobicContact CZ-CD2 3.82Å; F249-Y272 HydrophobicContact CZ-CE2 4.28Å; F249-Y272 AromaticContact CZ-CG 4Å; F249-Y272 HydrophobicContact CZ-CG 4Å; L268-Y272 HydrophobicContact CD1-CD2 4.36Å; L268-Y272 HydrophobicContact CD1-CE2 3.79Å; L268-Y272 HydrophobicContact CG-CD2 4.33Å; L268-Y272 HydrophobicContact CG-CE2 4.16Å; L268-Y272 WeakPolarHBondContact O-CD2 3.44Å; L268-Y272 PolarHBondContact O-N 3.07Å; Q270-Y272 PolarHBondContact O-N 3.08Å; Y272-L274 VanDerWaalsContact C-N 3.26Å; Y272-L274 PolarHBondContact O-N 3.36Å
273G90.2Very high80.1Confident61 Ų6176.9 Ų76.963%0.62944%0.444SS*.THydrogen-bonded Turntrans64.927.7-178.400000113.9L269 Q270 E271L269-G273 PolarHBondContact O-N 3.2Å; Q270-G273 PolarHBondContact O-N 3.31Å; E271-G273 VanDerWaalsContact C-N 3.32Å
274L90.7Very high77.5Confident16 Ų1681.7 Ų81.78%0.08446%0.457CS..  trans-94.5-5.2-176.3-63.1177.1000113.5L183 M185 V239 I246 F249 L269 Y272L183-L274 WeakPolarHBondContact CD1-O 3.49Å; M185-L274 HydrophobicContact CE-CB 4.15Å; M185-L274 WeakPolarHBondContact CE-O 3.26Å; V239-L274 HydrophobicContact CB-CD1 4.46Å; V239-L274 HydrophobicContact CG1-CD2 4.3Å; V239-L274 HydrophobicContact CG2-CD1 4.14Å; I246-L274 HydrophobicContact CD1-CD2 3.74Å; I246-L274 HydrophobicContact CG1-CD2 4.13Å; F249-L274 HydrophobicContact CE2-CD1 3.38Å; F249-L274 HydrophobicContact CZ-CD1 3.43Å; F249-L274 VanDerWaalsContact CZ-CD1 3.43Å; L269-L274 HydrophobicContact CD2-CB 4.41Å; L269-L274 HydrophobicContact CD2-CD1 4.23Å; L269-L274 PolarHBondContact O-N 3.47Å; Y272-L274 VanDerWaalsContact C-N 3.26Å; Y272-L274 PolarHBondContact O-N 3.36Å
275L89.2Confident74.7Confident15 Ų1583.5 Ų83.58%0.07947%0.471CS..SBendtrans-109.1137.7172.9-73.3171.2000110.6M185 Y210 V213 E266 L269 Q270M185-L275 HydrophobicContact CE-CD2 3.81Å; M185-L275 HydrophobicContact CE-CG 4.29Å; Y210-L275 HydrophobicContact CD1-CD2 4.19Å; Y210-L275 HydrophobicContact CD2-CD2 4.04Å; Y210-L275 HydrophobicContact CE1-CB 4.04Å; Y210-L275 HydrophobicContact CE1-CD2 4.27Å; Y210-L275 HydrophobicContact CE1-CG 4.5Å; Y210-L275 HydrophobicContact CE2-CD1 3.82Å; Y210-L275 HydrophobicContact CE2-CD2 4.13Å; Y210-L275 HydrophobicContact CE2-CG 4.46Å; Y210-L275 HydrophobicContact CG-CD2 4.06Å; V213-L275 HydrophobicContact CG2-CD2 4.5Å; E266-L275 HydrophobicContact CG-CD1 3.89Å; L269-L275 HydrophobicContact CB-CD1 3.53Å; L269-L275 HydrophobicContact CB-CG 3.74Å; L269-L275 HydrophobicContact CD1-CD1 4.06Å; L269-L275 HydrophobicContact CD1-CG 4.32Å; L269-L275 HydrophobicContact CG-CD1 4.46Å; Q270-L275 HydrophobicContact CG-CB 4.32Å; Q270-L275 HydrophobicContact CG-CD1 4.29Å
276P85.1Confident72.1Confident55 Ų5590.6 Ų90.636%0.35751%0.508SS..PPolyproline II helixtrans-59.4150.2169.2-20.832.3000111.2Y210 V213 K278Y210-P276 VanDerWaalsContact CE1-O 3.29Å; Y210-P276 WeakPolarHBondContact CE1-O 3.4Å; V213-P276 HydrophobicContact CG2-CG 3.94Å; P276-K278 PolarHBondContact O-N 2.89Å
277D79.4Confident69.8Low140 Ų140100.2 Ų100.275%0.74954%0.543SS*.PPolyproline II helixtrans-59.5129.2173.1-75.9-18000110.4
278K73.3Confident67.1Low84 Ų84104.9 Ų104.937%0.36556%0.561SS.*PPolyproline II helixtrans-60.8125.1170.1-76.1177.4169.7170.70107.6E209 Y210 E266 P276 A280E209-K278 WeakPolarHBondContact OE2-CE 3.12Å; E209-K278 IonicContact OE2-NZ 2.83Å; E209-K278 PolarHBondContact OE2-NZ 2.96Å; Y210-K278 HydrophobicContact CE1-CG 3.83Å; Y210-K278 VanDerWaalsContact CZ-CE 3.47Å; Y210-K278 VanDerWaalsContact OH-CE 3.29Å; Y210-K278 WeakPolarHBondContact OH-CE 3.48Å; E266-K278 WeakPolarHBondContact OE1-CE 3.38Å; E266-K278 IonicContact OE1-NZ 2.96Å; E266-K278 PolarHBondContact OE1-NZ 3.45Å; E266-K278 IonicContact OE2-NZ 2.68Å; E266-K278 PolarHBondContact OE2-NZ 2.91Å; P276-K278 PolarHBondContact O-N 2.89Å; K278-A280 PolarHBondContact O-N 3.19Å; K278-A280 VanDerWaalsContact O-N 3.13Å
279P58.4Low64.4Low104 Ų104107.3 Ų107.368%0.67559%0.59SS**PPolyproline II helixtrans-58.2127.1169.325.5-31.9000106.4M281P279-M281 VanDerWaalsContact C-N 3.31Å; P279-M281 PolarHBondContact O-N 3.18Å
280A50.9Low61.6Low89 Ų89111.8 Ų111.874%0.73663%0.627SS**  trans-54.398.9-179.600000108.6K278 V282K278-A280 PolarHBondContact O-N 3.19Å; K278-A280 VanDerWaalsContact O-N 3.13Å; A280-V282 VanDerWaalsContact C-N 3.33Å; A280-V282 PolarHBondContact O-N 2.87Å
281M47.7Very low58.9Low174 Ų174114.7 Ų114.786%0.85764%0.644SS**  trans-65.7105170-86.2-160169.100104.6P279 S283P279-M281 VanDerWaalsContact C-N 3.31Å; P279-M281 PolarHBondContact O-N 3.18Å; M281-S283 VanDerWaalsContact C-N 3.27Å; M281-S283 PolarHBondContact O-N 3.11Å
282V40.7Very low56.4Low133 Ų133114.2 Ų114.281%0.80665%0.645SS**  trans-53.5103.6165.2-178.20000104.9A280 K284A280-V282 VanDerWaalsContact C-N 3.33Å; A280-V282 PolarHBondContact O-N 2.87Å; V282-K284 PolarHBondContact O-N 2.65Å
283S38.3Very low53.7Low97 Ų97116.4 Ų116.468%0.67866%0.659SS**  trans-53.9113.5176.8-53.60000105.7M281 T285M281-S283 VanDerWaalsContact C-N 3.27Å; M281-S283 PolarHBondContact O-N 3.11Å; S283-T285 PolarHBondContact O-N 3.14Å; S283-T285 PolarHBondContact O-OG1 3.21Å
284K40.8Very low51.1Low202 Ų202118.5 Ų118.588%0.87866%0.664SS**  trans-62.989.5166.8-74.8-179.7-178.8175.20105.1V282 L286V282-K284 PolarHBondContact O-N 2.65Å; K284-L286 VanDerWaalsContact C-N 3.29Å; K284-L286 PolarHBondContact O-N 3.37Å
285T37.1Very low48.4Very low110 Ų110125.2 Ų125.268%0.67570%0.7SS**  trans-63.499.5173.7-58.70000105S283 R287S283-T285 PolarHBondContact O-N 3.14Å; S283-T285 PolarHBondContact O-OG1 3.21Å; T285-R287 HydrophobicContact CG2-CG 4.03Å; T285-R287 PolarHBondContact O-N 3.33Å
286L40.6Very low46Very low149 Ų149128.9 Ų128.978%0.7873%0.733SS**  trans-62.690.1164-81.3161.9000106.5K284 N288K284-L286 VanDerWaalsContact C-N 3.29Å; K284-L286 PolarHBondContact O-N 3.37Å; L286-N288 PolarHBondContact O-N 3.15Å
287R45.5Very low43.7Very low226 Ų226131.6 Ų131.685%0.85375%0.754SS**  trans-73.879.8165.7-77.3-172.7176.9173.6-0.4108.6T285T285-R287 HydrophobicContact CG2-CG 4.03Å; T285-R287 PolarHBondContact O-N 3.33Å
288N38.4Very low41.8Very low151 Ų151132.7 Ų132.781%0.80776%0.759SS**  trans-128123.4163.7-725.3000106.6L286L286-N288 PolarHBondContact O-N 3.15Å
289G36.1Very low40.1Very low67 Ų67137.7 Ų137.769%0.69178%0.784SS**  cis-158.4146.7-1.600000108.8I291G289-I291 PolarHBondContact O-N 3.33Å
290A35.2Very low39.1Very low95 Ų95141.4 Ų141.479%0.78580%0.798SS**  trans-69.8115170.900000108.7I292A290-I292 PolarHBondContact O-N 2.78Å; A290-I292 VanDerWaalsContact O-N 3.14Å
291I37.4Very low38.9Very low156 Ų156142 Ų14280%0.880%0.797SS**  trans-70.8101.1163.9-64.9168.9000106.1G289 Q293G289-I291 PolarHBondContact O-N 3.33Å; I291-Q293 HydrophobicContact CG2-CG 4.36Å; I291-Q293 PolarHBondContact O-N 2.96Å
292I38.9Very low39Very low151 Ų151140.4 Ų140.477%0.77479%0.792SS**  trans-79.1103.5166.3-62.2176.3000106.1A290 S294A290-I292 PolarHBondContact O-N 2.78Å; A290-I292 VanDerWaalsContact O-N 3.14Å; I292-S294 PolarHBondContact O-N 3.47Å
293Q35Very low39.3Very low169 Ų169142.5 Ų142.579%0.7980%0.798SS**  trans-69.1105.5162.6-76.4-179.8-3.500107.9I291 N295I291-Q293 HydrophobicContact CG2-CG 4.36Å; I291-Q293 PolarHBondContact O-N 2.96Å; Q293-N295 PolarHBondContact O-N 3.26Å
294S35.1Very low40Very low105 Ų105145 Ų14573%0.73480%0.804SS**  trans-72.5107.5165.151.70000109I292 A296I292-S294 PolarHBondContact O-N 3.47Å; S294-A296 PolarHBondContact O-N 3.49Å; S294-A296 VanDerWaalsContact O-N 3.11Å
295N33.7Very low40.5Very low157 Ų157142.9 Ų142.984%0.8480%0.8SS**  trans-65.6103160.2-83.4-12000107.5Q293 S297Q293-N295 PolarHBondContact O-N 3.26Å; N295-S297 PolarHBondContact O-N 3.48Å
296A37.9Very low40.8Very low92 Ų92148.5 Ų148.576%0.7683%0.826SS**  trans-76.9110.8165.500000107.8S294S294-A296 PolarHBondContact O-N 3.49Å; S294-A296 VanDerWaalsContact O-N 3.11Å
297S36.9Very low40.9Very low113 Ų113148.5 Ų148.579%0.7983%0.828SS**  trans-80.2114.6167.947.30000108.8N295 E299N295-S297 PolarHBondContact O-N 3.48Å; S297-E299 PolarHBondContact O-N 3.05Å
298D40.1Very low40.6Very low163 Ų163144.4 Ų144.487%0.87283%0.827SS**  trans-66108.3167.1-76.2-36.7000110.1
299E37.6Very low40.7Very low188 Ų188144 Ų14488%0.87983%0.828SS**  trans-151.683.1155.2-72.9-160.4157.100109.3S297S297-E299 PolarHBondContact O-N 3.05Å
300D36.6Very low41Very low182 Ų182148.5 Ų148.597%0.97384%0.836SS**  trans-104.6104.6163.6-90.9-22.3000108.5
301S47.5Very low41.4Very low103 Ų103151.9 Ų151.972%0.7284%0.839SS**  trans-123.5113.5168.3-174.40000108.6
302D49.1Very low41.6Very low139 Ų139151.6 Ų151.674%0.74384%0.842SS**  trans54.5125.4150.4-56.8-21.7000120.3
303L48.4Very low41.8Very low178 Ų178151.6 Ų151.693%0.93285%0.847SS**  -165.6115.8119.9-96.1171.1000110.9
304D52.3Low42.4Very low149 Ų149150.3 Ų150.380%0.79785%0.851SS**  trans-58.4154.3168.7-66.9-57.3000113.3
305I50Low43Very low158 Ų158154.1 Ų154.181%0.8186%0.861SS**  trans-164.9125.1132.2-105.5159.1000111.7
306D45.4Very low43.8Very low227 Ų227153.8 Ų153.8100%1.21486%0.863SS**  trans52.70155.8-60.9-20.5000122.6

Retrieved 306 of 306 residues in 134.4 ms (Link to these results)