A0A060VU69_ONCMY Loading...

Replication factor A protein 2

AlphaFold DB , UniProt , Accession A0A060VU69, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110489231, Length 278 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36Very low34.3Very low227 Ų227153.6 Ų153.6100%1.11886%0.861SS**  0123.40-68.5170.492.500107
2W37.8Very low34Very low250 Ų250151.8 Ų151.895%0.94785%0.848SS**  trans57.892.1175.5-56.595.8000117.7
3N34.4Very low34Very low168 Ų168153.5 Ų153.590%0.89885%0.849SS**  trans-94.1117.3169.7-158.924.5000109.1
4Q36.5Very low34Very low190 Ų190148.1 Ų148.189%0.88885%0.846SS**  trans-88.6115.8165.1-83.9172-7.200108.4
5G37.3Very low34Very low70 Ų70142.5 Ų142.572%0.72283%0.833SS**  trans-89135.2150.300000107.1
6G33.6Very low34.5Very low81 Ų81138.5 Ų138.584%0.83583%0.832SS**  69.4123.352.400000108.1
7S29.9Very low34.7Very low100 Ų100142.4 Ų142.470%0.69983%0.83SS**  cis-179.713310.4162.40000105.7
8Y34.1Very low35Very low232 Ų232141.1 Ų141.191%0.9183%0.825SS**  trans57.9127.9148.8-73.6-108.2000121.6
9G32.8Very low35.5Very low82 Ų82144.3 Ų144.385%0.84583%0.831SS**  trans176114.5163.400000110.2
10E31.9Very low35.5Very low179 Ų179142.1 Ų142.184%0.83682%0.824SS**  trans-96.9158.5-153-165.8174.9160.500113.3
11S32.8Very low36Very low111 Ų111142.1 Ų142.178%0.77683%0.829SS**  trans69.5151.2156.475.60000118.1
12N31.4Very low36.5Very low131 Ų131135 Ų13570%0.70181%0.814SS**  cis-176.8151.4-23.5-170.320.6000103.3
13M34.2Very low36.3Very low174 Ų174126.5 Ų126.586%0.85780%0.804SS**  trans66.7126.1159.4-74.6168.3165.500119.9
14G33.8Very low36.8Very low78 Ų78128.9 Ų128.980%0.80481%0.807SS**  trans150.761.1137.300000118.3
15G33.7Very low37Very low64 Ų64124.1 Ų124.166%0.6680%0.8SS**  trans55.298.4138.200000119.2
16G42.6Very low37.4Very low79 Ų79126 Ų12681%0.81480%0.802SS**  trans-68.5130.9152.700000110.7
17Y37.3Very low38.1Very low205 Ų205128.2 Ų128.280%0.80480%0.802SS**  trans-137.9110.2164-80.8-84.2000109.7
18T40.9Very low38.5Very low119 Ų119127.8 Ų127.873%0.7380%0.804SS**  trans48.3102.8137.360.90000118.5S20T18-S20 PolarHBondContact O-N 3.15Å
19Q43.6Very low38.9Very low201 Ų201121.9 Ų121.994%0.93980%0.804SS**  trans-64.4121157.4-70.1-143.4-13.200110.4
20S35.8Very low39.5Very low100 Ų100123.6 Ų123.670%0.69980%0.802SS**  trans-94139.1163-630000109.1T18 G22T18-S20 PolarHBondContact O-N 3.15Å; S20-G22 PolarHBondContact O-N 3.08Å; S20-G22 VanDerWaalsContact O-N 3.13Å
21P45.2Very low40Very low143 Ų143124.4 Ų124.493%0.92981%0.806SS**SBendtrans-8292.7-179.131.8-29.9000109.5
22G48.2Very low40.6Very low78 Ų78123.3 Ų123.380%0.80481%0.813SS**  trans163.774.217900000112.1S20S20-G22 PolarHBondContact O-N 3.08Å; S20-G22 VanDerWaalsContact O-N 3.13Å
23G33.4Very low40.9Very low71 Ų71120.2 Ų120.273%0.73281%0.812SS**  trans-147.8121.8177.400000110.4A25G23-A25 PolarHBondContact O-N 3.4Å; G23-A25 VanDerWaalsContact O-N 3.11Å
24F44.1Very low41.3Very low218 Ų218121.7 Ų121.796%0.95682%0.817SS**  trans-44.7110.9171.4-106-111.8000110.9S26F24-S26 PolarHBondContact O-N 3.11Å
25A39.9Very low41.8Very low91 Ų91127.3 Ų127.375%0.75282%0.819SS**  trans-79.511316400000108G23G23-A25 PolarHBondContact O-N 3.4Å; G23-A25 VanDerWaalsContact O-N 3.11Å
26S45.5Very low42.4Very low109 Ų109133.9 Ų133.976%0.76283%0.829SS**PPolyproline II helixtrans-54.6131.6164.6-57.60000109.1F24 A28F24-S26 PolarHBondContact O-N 3.11Å; S26-A28 PolarHBondContact O-N 3.24Å; S26-A28 VanDerWaalsContact O-N 3.11Å
27P48.5Very low42.4Very low127 Ų127133.4 Ų133.483%0.82582%0.824SS**PPolyproline II helixtrans-64.3118.6176.7-17.829.9000109.6A29P27-A29 PolarHBondContact O-N 3.48Å
28A38.7Very low43.1Very low91 Ų91130.2 Ų130.275%0.75281%0.811SS**PPolyproline II helixtrans-55.7133.9165.300000109.3S26 S30S26-A28 PolarHBondContact O-N 3.24Å; S26-A28 VanDerWaalsContact O-N 3.11Å; A28-S30 PolarHBondContact O-N 2.86Å
29A43.7Very low43.4Very low109 Ų109133.5 Ų133.590%0.90182%0.818SS**  trans-60.5102.2174.800000109.6P27P27-A29 PolarHBondContact O-N 3.48Å
30S44.3Very low43.8Very low117 Ų117132.7 Ų132.782%0.81881%0.806SS**  trans-92.4134168.256.30000109.4A28A28-S30 PolarHBondContact O-N 2.86Å
31Q42.5Very low44.7Very low196 Ų196129.3 Ų129.392%0.91679%0.785SS**  trans-58.2147.8-171.8-69.2167.3-1300114
32G45.7Very low45.6Very low88 Ų88130.2 Ų130.291%0.90778%0.776SS**  trans79.581.2132.400000116.5
33G36.4Very low47.2Very low67 Ų67131.8 Ų131.869%0.69176%0.763SS**  trans178.9100.5159.900000109.4K35G33-K35 PolarHBondContact O-N 2.63Å
34E42.8Very low50Low204 Ų204132.1 Ų132.195%0.95375%0.747SS**  trans-63.977.9168.8-68.5-179.7136.400109K36E34-K36 VanDerWaalsContact C-N 3.27Å; E34-K36 PolarHBondContact O-N 3.31Å
35K45.3Very low52.6Low197 Ų197122 Ų12286%0.85770%0.703SS**  trans-67.799.2157.9-73.8-174.7179.2179.90104.8G33 G37G33-K35 PolarHBondContact O-N 2.63Å; K35-G37 PolarHBondContact O-N 3.36Å
36K45.6Very low55.3Low201 Ų201118.4 Ų118.487%0.87467%0.672SS**  trans-37.4109.3159.2-97.9-178.2172.7179.10106.5E34 R38E34-K36 VanDerWaalsContact C-N 3.27Å; E34-K36 PolarHBondContact O-N 3.31Å; K36-R38 PolarHBondContact O-N 2.66Å
37G42.4Very low57.9Low69 Ų69113.2 Ų113.271%0.71164%0.636SS**  trans-52.9116.6176.200000106.4K35 Q39K35-G37 PolarHBondContact O-N 3.36Å; G37-Q39 PolarHBondContact O-N 3.22Å
38R51.6Low60.3Low138 Ų138108.6 Ų108.652%0.52161%0.605SS.*  trans-58.3106.2177.1-165.9-178.6-168.6141.511.7105.3K36 R40 E59 V61K36-R38 PolarHBondContact O-N 2.66Å; R38-R40 VanDerWaalsContact C-N 3.31Å; R38-R40 PolarHBondContact O-N 3.37Å; R38-E59 IonicContact NH1-OE2 3.67Å; R38-V61 VanDerWaalsContact CZ-CG2 3.43Å
39Q48.5Very low63.1Low188 Ų188104.3 Ų104.388%0.87957%0.57SS**  trans-62.499.9-180-141.8171.212.500105.5G37 A41G37-Q39 PolarHBondContact O-N 3.22Å; Q39-A41 PolarHBondContact O-N 2.96Å
40R51.9Low65.7Low184 Ų184101.2 Ų101.269%0.69454%0.541SS*.  trans-64.7125-172-154.8178.1-169.1-1753.3106.4R38 Q42R38-R40 VanDerWaalsContact C-N 3.31Å; R38-R40 PolarHBondContact O-N 3.37Å; R40-Q42 PolarHBondContact O-N 2.85Å
41A54.3Low68.3Low30 Ų3097.4 Ų97.425%0.24851%0.511CS..  trans-51.8112.9176.300000109.2Q39 H43 E68Q39-A41 PolarHBondContact O-N 2.96Å; A41-H43 VanDerWaalsContact C-N 3.28Å; A41-H43 PolarHBondContact O-N 2.78Å; A41-E68 HydrophobicContact CB-CG 4.39Å
42Q65.2Low70.9Confident161 Ų16188.1 Ų88.175%0.75247%0.467SS*.  trans-82-5.3-172.3-75.1-176.4-19.300113.1R40R40-Q42 PolarHBondContact O-N 2.85Å
43H80.4Confident73.3Confident112 Ų11287.8 Ų87.852%0.51944%0.443SS..  trans-99.1132.7-174.2-53.8-60.2000111.6A41 V45A41-H43 VanDerWaalsContact C-N 3.28Å; A41-H43 PolarHBondContact O-N 2.78Å; H43-V45 PolarHBondContact O-N 3.24Å
44I93.6Very high76.1Confident77 Ų7789 Ų8940%0.39544%0.441SS..EExtended strand (participates in β ladder)trans-79.5113.1166-55.8175.7000107.3Q71 T73 F142I44-Q71 WeakPolarHBondContact CA-O 3.23Å; I44-Q71 HydrophobicContact CB-CB 4.42Å; I44-Q71 HydrophobicContact CG1-CB 3.93Å; I44-Q71 HydrophobicContact CG2-CB 4.46Å; I44-T73 HydrophobicContact CG2-CG2 3.54Å; I44-F142 HydrophobicContact CD1-CZ 4.09Å
45V96.9Very high78.7Confident5 Ų579.5 Ų79.53%0.0340%0.397CS..EExtended strand (participates in β ladder)trans-95.2120.4-174.3-174.60000110.3H43 C47 V69 Q71 V72 T73 L167H43-V45 PolarHBondContact O-N 3.24Å; V45-C47 PolarHBondContact O-N 2.72Å; V45-C47 PolarHBondContact O-SG 2.74Å; V45-V69 HydrophobicContact CB-CG1 4.21Å; V45-V69 HydrophobicContact CG1-CG1 4.27Å; V45-V69 HydrophobicContact CG2-CG1 4.32Å; V45-Q71 PolarHBondContact N-O 3.42Å; V45-V72 WeakPolarHBondContact O-CA 3.45Å; V45-V72 WeakPolarHBondContact O-CB 3.3Å; V45-T73 PolarHBondContact O-N 2.77Å; V45-T73 VanDerWaalsContact O-N 3.13Å; V45-L167 HydrophobicContact CG1-CD1 4.13Å; V45-L167 HydrophobicContact CG2-CD1 4.05Å
46P98.3Very high81Confident17 Ų1773.3 Ų73.311%0.1138%0.383CS..EExtended strand (participates in β ladder)trans-66.5126.4172.628.6-33.3000109.5T73 E159 V160 A163 H164P46-T73 VanDerWaalsContact CA-OG1 3.3Å; P46-T73 WeakPolarHBondContact CA-OG1 3.14Å; P46-E159 HydrophobicContact CB-CB 4.21Å; P46-E159 HydrophobicContact CG-CB 4.1Å; P46-V160 HydrophobicContact CB-CG2 4.02Å; P46-A163 HydrophobicContact CG-CB 3.59Å; P46-H164 PolarHBondContact O-NE2 3.26Å
47C98.6Very high83.3Confident0 Ų067.3 Ų67.30%036%0.358CS..  trans-131163.8-177.6-66.80000111.4V45 L52 T73 H156V45-C47 PolarHBondContact O-N 2.72Å; V45-C47 PolarHBondContact O-SG 2.74Å; C47-L52 HydrophobicContact CB-CD1 4.25Å; C47-L52 HydrophobicContact CB-CD2 3.59Å; C47-L52 HydrophobicContact CB-CG 3.8Å; C47-T73 PolarHBondContact N-O 3.35Å; C47-H156 PolarHBondContact O-NE2 3.2Å; C47-H156 VanDerWaalsContact O-NE2 3.09Å
48T98.8Very high85.6Confident30 Ų3066.9 Ų66.918%0.18435%0.347CS..  trans-92.3156.5159.6550000110.3S50 Q51 L52 D94 T96 V160T48-S50 VanDerWaalsContact C-N 3.27Å; T48-S50 PolarHBondContact O-N 2.73Å; T48-S50 PolarHBondContact OG1-OG 3.19Å; T48-Q51 PolarHBondContact O-N 3.22Å; T48-Q51 WeakPolarHBondContact OG1-CB 3.44Å; T48-Q51 VanDerWaalsContact OG1-CD 3.24Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.18Å; T48-Q51 PolarHBondContact OG1-N 3.48Å; T48-Q51 PolarHBondContact OG1-OE1 2.64Å; T48-L52 WeakPolarHBondContact O-CG 3.32Å; T48-L52 PolarHBondContact O-N 3.06Å; T48-D94 VanDerWaalsContact CA-OD2 3.24Å; T48-D94 WeakPolarHBondContact CA-OD2 3.17Å; T48-D94 WeakPolarHBondContact CB-OD2 3.36Å; T48-T96 HydrophobicContact CG2-CG2 3.81Å; T48-V160 HydrophobicContact CG2-CG1 4.25Å
49V98.6Very high87.2Confident0 Ų067.7 Ų67.70%036%0.357CS..Hα-helixtrans-57.4-42.5174.7171.10000110.5Q51 L52 M53 I74 D94 T96 A98 M100V49-Q51 VanDerWaalsContact C-N 3.34Å; V49-Q51 PolarHBondContact O-N 3.04Å; V49-L52 PolarHBondContact O-N 2.88Å; V49-L52 VanDerWaalsContact O-N 3.16Å; V49-M53 HydrophobicContact CG1-CG 3.94Å; V49-M53 WeakPolarHBondContact O-CB 3.43Å; V49-M53 VanDerWaalsContact O-CG 3.27Å; V49-M53 WeakPolarHBondContact O-CG 3.28Å; V49-M53 PolarHBondContact O-N 2.9Å; V49-I74 HydrophobicContact CG2-CD1 4.2Å; V49-D94 WeakPolarHBondContact CB-OD1 3.3Å; V49-D94 HydrophobicContact CG2-CB 4.25Å; V49-D94 PolarHBondContact N-OD2 3.38Å; V49-T96 PolarHBondContact N-OG1 2.6Å; V49-A98 VanDerWaalsContact CG1-O 3.32Å; V49-A98 WeakPolarHBondContact CG1-O 3.41Å; V49-M100 HydrophobicContact CG1-CB 3.89Å; V49-M100 HydrophobicContact CG1-CE 4.38Å; V49-M100 HydrophobicContact CG2-CB 4.07Å
50S98.4Very high88.9Confident44 Ų4465.3 Ų65.331%0.30835%0.351SS..Hα-helixtrans-61.5-39.717964.30000113T48 M53 S54 T96T48-S50 VanDerWaalsContact C-N 3.27Å; T48-S50 PolarHBondContact O-N 2.73Å; T48-S50 PolarHBondContact OG1-OG 3.19Å; S50-M53 PolarHBondContact O-N 2.81Å; S50-S54 VanDerWaalsContact O-CB 3.3Å; S50-S54 WeakPolarHBondContact O-CB 3.27Å; S50-S54 PolarHBondContact O-N 3.01Å; S50-S54 PolarHBondContact O-OG 2.99Å; S50-T96 VanDerWaalsContact CB-O 3.3Å; S50-T96 WeakPolarHBondContact CB-O 3.39Å; S50-T96 WeakPolarHBondContact CB-OG1 3.38Å; S50-T96 PolarHBondContact N-OG1 3.44Å; S50-T96 WeakPolarHBondContact OG-CB 3.48Å; S50-T96 PolarHBondContact OG-OG1 2.89Å
51Q98.1Very high90.8Very high38 Ų3857 Ų5718%0.17832%0.32CS..Hα-helixtrans-61.7-45.2174.8-77.8167.7-44.600110.9T48 V49 S54 A55 V64T48-Q51 PolarHBondContact O-N 3.22Å; T48-Q51 WeakPolarHBondContact OG1-CB 3.44Å; T48-Q51 VanDerWaalsContact OG1-CD 3.24Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.18Å; T48-Q51 PolarHBondContact OG1-N 3.48Å; T48-Q51 PolarHBondContact OG1-OE1 2.64Å; V49-Q51 VanDerWaalsContact C-N 3.34Å; V49-Q51 PolarHBondContact O-N 3.04Å; Q51-S54 PolarHBondContact O-N 2.97Å; Q51-S54 PolarHBondContact O-OG 2.73Å; Q51-A55 PolarHBondContact O-N 3.35Å; Q51-V64 HydrophobicContact CB-CG1 3.88Å; Q51-V64 HydrophobicContact CB-CG2 4.17Å; Q51-V64 HydrophobicContact CG-CG1 3.86Å
52L97.8Very high92.7Very high0 Ų056.1 Ų56.10%031%0.311CS..Hα-helixtrans-66.6-38.7178.8-58.8179.7000112.3C47 T48 V49 S54 V72 I74 M100 L130 R137C47-L52 HydrophobicContact CB-CD1 4.25Å; C47-L52 HydrophobicContact CB-CD2 3.59Å; C47-L52 HydrophobicContact CB-CG 3.8Å; T48-L52 WeakPolarHBondContact O-CG 3.32Å; T48-L52 PolarHBondContact O-N 3.06Å; V49-L52 PolarHBondContact O-N 2.88Å; V49-L52 VanDerWaalsContact O-N 3.16Å; L52-S54 VanDerWaalsContact C-N 3.33Å; L52-V72 HydrophobicContact CD1-CG2 3.91Å; L52-V72 HydrophobicContact CD2-CB 4.24Å; L52-V72 HydrophobicContact CD2-CG1 3.82Å; L52-V72 HydrophobicContact CD2-CG2 4.14Å; L52-I74 HydrophobicContact CD1-CG2 3.65Å; L52-M100 HydrophobicContact CB-CE 3.55Å; L52-M100 HydrophobicContact CD1-CE 3.92Å; L52-M100 HydrophobicContact CD1-SD 3.85Å; L52-M100 HydrophobicContact CG-CE 4.39Å; L52-L130 HydrophobicContact CB-CD1 4.24Å; L52-L130 HydrophobicContact CD2-CD2 4.19Å; L52-R137 VanDerWaalsContact O-CD 3.32Å; L52-R137 WeakPolarHBondContact O-CD 3.45Å; L52-R137 PolarHBondContact O-NH1 2.9Å
53M96.6Very high94.1Very high82 Ų8253.7 Ų53.740%0.40430%0.295SS..Hα-helixtrans-69.9-29.9177.8-67.9-56.1-70.700112.6V49 S50 M100 R137V49-M53 HydrophobicContact CG1-CG 3.94Å; V49-M53 WeakPolarHBondContact O-CB 3.43Å; V49-M53 VanDerWaalsContact O-CG 3.27Å; V49-M53 WeakPolarHBondContact O-CG 3.28Å; V49-M53 PolarHBondContact O-N 2.9Å; S50-M53 PolarHBondContact O-N 2.81Å; M53-M100 HydrophobicContact CG-CE 4.12Å; M53-M100 HydrophobicContact SD-CE 3.7Å; M53-R137 PolarHBondContact O-NH1 2.85Å; M53-R137 HydrophobicContact SD-CB 3.9Å
54S95.3Very high94.8Very high93 Ų9349.2 Ų49.265%0.6528%0.275SS*.Hα-helixtrans-98.9-6.3-178.861.60000115.1S50 Q51 L52 A56S50-S54 VanDerWaalsContact O-CB 3.3Å; S50-S54 WeakPolarHBondContact O-CB 3.27Å; S50-S54 PolarHBondContact O-N 3.01Å; S50-S54 PolarHBondContact O-OG 2.99Å; Q51-S54 PolarHBondContact O-N 2.97Å; Q51-S54 PolarHBondContact O-OG 2.73Å; L52-S54 VanDerWaalsContact C-N 3.33Å; S54-A56 PolarHBondContact O-N 2.82Å
55A95.8Very high94.6Very high4 Ų448.3 Ų48.33%0.03329%0.285CS..  trans-50.1140.2179.800000111.8Q51 F62 R63 V64 R137Q51-A55 PolarHBondContact O-N 3.35Å; A55-F62 HydrophobicContact CB-CB 4.34Å; A55-R63 CarbonylContact C-O 3.32Å; A55-R63 VanDerWaalsContact C-O 3.32Å; A55-R63 WeakPolarHBondContact CA-O 3.48Å; A55-R63 VanDerWaalsContact CB-O 3.32Å; A55-R63 WeakPolarHBondContact CB-O 3.47Å; A55-V64 HydrophobicContact CB-CG2 3.84Å; A55-R137 PolarHBondContact O-NH1 2.77Å; A55-R137 PolarHBondContact O-NH2 3.28Å
56A95.1Very high94.2Very high66 Ų6655.8 Ų55.855%0.54532%0.32SS..EExtended strand (participates in β ladder)trans-66.4140.7169.500000109.4S54 F62 R63S54-A56 PolarHBondContact O-N 2.82Å; A56-F62 CarbonylContact O-C 3.51Å; A56-F62 VanDerWaalsContact O-CA 3.28Å; A56-F62 WeakPolarHBondContact O-CA 3.3Å; A56-R63 PolarHBondContact N-O 3.49Å; A56-R63 PolarHBondContact O-N 3.33Å
57Q93.6Very high93.8Very high75 Ų7555.6 Ų55.635%0.3532%0.318SS..EExtended strand (participates in β ladder)trans-119.9124.6175.5-175.6-179.1-3.500109.4E59 V61 F62 S132Q57-E59 WeakPolarHBondContact CG-O 3.18Å; Q57-E59 PolarHBondContact NE2-O 2.98Å; Q57-V61 WeakPolarHBondContact CA-O 3.38Å; Q57-F62 HydrophobicContact CB-CD1 4.08Å; Q57-F62 HydrophobicContact CB-CE1 4.13Å; Q57-F62 HydrophobicContact CG-CD1 4.07Å; Q57-F62 HydrophobicContact CG-CE1 3.79Å; Q57-F62 HydrophobicContact CG-CZ 4.37Å; Q57-S132 VanDerWaalsContact OE1-CB 3.24Å; Q57-S132 PolarHBondContact OE1-OG 3.24Å
58A90.4Very high93.5Very high60 Ų6058.3 Ų58.350%0.49633%0.33SS..EExtended strand (participates in β ladder)trans-128.6115.1169.800000108.2D60 V61A58-D60 PolarHBondContact O-N 3.43Å; A58-V61 PolarHBondContact N-O 3.44Å; A58-V61 PolarHBondContact O-N 3.07Å
59E86.1Confident93.2Very high156 Ų15657 Ų5773%0.72932%0.322SS*.THydrogen-bonded Turntrans53-120.4-168.9-54.5174173.500110.6R38 Q57R38-E59 IonicContact NH1-OE2 3.67Å; Q57-E59 WeakPolarHBondContact CG-O 3.18Å; Q57-E59 PolarHBondContact NE2-O 2.98Å
60D83.5Confident92.9Very high138 Ų13858.3 Ų58.374%0.73833%0.333SS*.THydrogen-bonded Turntrans-98.711.3-179.7-64.7-36.3000113.9A58A58-D60 PolarHBondContact O-N 3.43Å
61V90.9Very high92.7Very high10 Ų1058.8 Ų58.86%0.06133%0.331CS..EExtended strand (participates in β ladder)trans-109.2132.8177.11510000111.9R38 Q57 A58 R63 E68R38-V61 VanDerWaalsContact CZ-CG2 3.43Å; Q57-V61 WeakPolarHBondContact CA-O 3.38Å; A58-V61 PolarHBondContact N-O 3.44Å; A58-V61 PolarHBondContact O-N 3.07Å; V61-R63 HydrophobicContact CG1-CG 4.08Å; V61-E68 HydrophobicContact CG1-CG 3.89Å; V61-E68 HydrophobicContact CG2-CG 4.21Å; V61-E68 VanDerWaalsContact CG2-OE1 3.25Å; V61-E68 WeakPolarHBondContact CG2-OE1 3.27Å
62F94.8Very high92.7Very high11 Ų1157 Ų575%0.04832%0.322CS..EExtended strand (participates in β ladder)trans-104141.7174.2-58.2-86.2000109.8A55 A56 Q57 E68 V69 L130 S132A55-F62 HydrophobicContact CB-CB 4.34Å; A56-F62 CarbonylContact O-C 3.51Å; A56-F62 VanDerWaalsContact O-CA 3.28Å; A56-F62 WeakPolarHBondContact O-CA 3.3Å; Q57-F62 HydrophobicContact CB-CD1 4.08Å; Q57-F62 HydrophobicContact CB-CE1 4.13Å; Q57-F62 HydrophobicContact CG-CD1 4.07Å; Q57-F62 HydrophobicContact CG-CE1 3.79Å; Q57-F62 HydrophobicContact CG-CZ 4.37Å; F62-E68 WeakPolarHBondContact O-CA 3.36Å; F62-V69 HydrophobicContact CB-CG2 3.68Å; F62-V69 PolarHBondContact O-N 3.38Å; F62-L130 HydrophobicContact CB-CD2 3.78Å; F62-L130 HydrophobicContact CD1-CD2 3.68Å; F62-L130 HydrophobicContact CD1-CG 4.34Å; F62-L130 HydrophobicContact CD2-CB 4.29Å; F62-L130 HydrophobicContact CD2-CD2 3.8Å; F62-L130 HydrophobicContact CD2-CG 4.06Å; F62-L130 HydrophobicContact CE1-CD2 4.2Å; F62-L130 HydrophobicContact CE1-CG 4.4Å; F62-L130 HydrophobicContact CE2-CB 4.44Å; F62-L130 HydrophobicContact CE2-CD2 4.31Å; F62-L130 HydrophobicContact CE2-CG 4.13Å; F62-L130 HydrophobicContact CG-CD2 3.46Å; F62-L130 VanDerWaalsContact CG-CD2 3.46Å; F62-L130 HydrophobicContact CG-CG 4.17Å; F62-L130 HydrophobicContact CZ-CD2 4.49Å; F62-L130 HydrophobicContact CZ-CG 4.3Å; F62-S132 VanDerWaalsContact CZ-CB 3.5Å
63R94.9Very high92.7Very high109 Ų10957.7 Ų57.741%0.41133%0.326SS..EExtended strand (participates in β ladder)trans-132.3129.6175-65.4-170.5175.3132.93112.5A55 A56 V61 G65 I67A55-R63 CarbonylContact C-O 3.32Å; A55-R63 VanDerWaalsContact C-O 3.32Å; A55-R63 WeakPolarHBondContact CA-O 3.48Å; A55-R63 VanDerWaalsContact CB-O 3.32Å; A55-R63 WeakPolarHBondContact CB-O 3.47Å; A56-R63 PolarHBondContact N-O 3.49Å; A56-R63 PolarHBondContact O-N 3.33Å; V61-R63 HydrophobicContact CG1-CG 4.08Å; R63-G65 WeakPolarHBondContact CB-O 3.09Å; R63-I67 CarbonylContact C-O 3.59Å; R63-I67 WeakPolarHBondContact CA-O 3.44Å
64V94.6Very high92.9Very high18 Ų1853.8 Ų53.811%0.10931%0.307CS..EExtended strand (participates in β ladder)trans-100.6100.8169.2-179.60000107.3Q51 A55 E66 I67 V69Q51-V64 HydrophobicContact CB-CG1 3.88Å; Q51-V64 HydrophobicContact CB-CG2 4.17Å; Q51-V64 HydrophobicContact CG-CG1 3.86Å; A55-V64 HydrophobicContact CB-CG2 3.84Å; V64-E66 PolarHBondContact O-N 2.94Å; V64-I67 PolarHBondContact N-O 3.07Å; V64-I67 PolarHBondContact O-N 3.25Å; V64-V69 HydrophobicContact CG2-CG1 4.13Å; V64-V69 HydrophobicContact CG2-CG2 4.01Å
65G90.3Very high93Very high59 Ų5949.8 Ų49.861%0.60828%0.279SS*.THydrogen-bonded Turntrans63.4-124.3-162.300000109.8R63R63-G65 WeakPolarHBondContact CB-O 3.09Å
66E87.5Confident93.2Very high161 Ų16149.6 Ų49.675%0.75228%0.278SS*.THydrogen-bonded Turntrans-90.5-4.2177.2-57.7-52.5128.300113.7V64V64-E66 PolarHBondContact O-N 2.94Å
67I90.6Very high93.3Very high13 Ų1347.5 Ų47.57%0.06726%0.257CS..EExtended strand (participates in β ladder)trans-88.2116-172.7-58.1162.5000109.3R63 V64 V69 H164 L167R63-I67 CarbonylContact C-O 3.59Å; R63-I67 WeakPolarHBondContact CA-O 3.44Å; V64-I67 PolarHBondContact N-O 3.07Å; V64-I67 PolarHBondContact O-N 3.25Å; I67-V69 HydrophobicContact CG2-CG1 4.2Å; I67-V69 PolarHBondContact O-N 3.22Å; I67-H164 HydrophobicContact CD1-CB 4.04Å; I67-H164 WeakPolarHBondContact CD1-ND1 3.25Å; I67-L167 HydrophobicContact CD1-CB 3.73Å; I67-L167 HydrophobicContact CG1-CB 3.76Å; I67-L167 HydrophobicContact CG2-CB 4.03Å; I67-L167 HydrophobicContact CG2-CD1 3.97Å
68E92.4Very high93.6Very high57 Ų5744 Ų4427%0.26624%0.24SC..EExtended strand (participates in β ladder)trans-67.7125.6170.3-178.8165.6149.800110.7A41 V61 F62A41-E68 HydrophobicContact CB-CG 4.39Å; V61-E68 HydrophobicContact CG1-CG 3.89Å; V61-E68 HydrophobicContact CG2-CG 4.21Å; V61-E68 VanDerWaalsContact CG2-OE1 3.25Å; V61-E68 WeakPolarHBondContact CG2-OE1 3.27Å; F62-E68 WeakPolarHBondContact O-CA 3.36Å
69V92.8Very high94Very high2 Ų246.6 Ų46.61%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-120.4129.4179.1-61.60000109.9V45 F62 V64 I67 V72 L130V45-V69 HydrophobicContact CB-CG1 4.21Å; V45-V69 HydrophobicContact CG1-CG1 4.27Å; V45-V69 HydrophobicContact CG2-CG1 4.32Å; F62-V69 HydrophobicContact CB-CG2 3.68Å; F62-V69 PolarHBondContact O-N 3.38Å; V64-V69 HydrophobicContact CG2-CG1 4.13Å; V64-V69 HydrophobicContact CG2-CG2 4.01Å; I67-V69 HydrophobicContact CG2-CG1 4.2Å; I67-V69 PolarHBondContact O-N 3.22Å; V69-V72 HydrophobicContact CB-CG1 4.04Å; V69-L130 HydrophobicContact CG2-CD2 4.3Å
70A90.5Very high94.6Very high28 Ų2841.6 Ų41.623%0.23122%0.218CC..SBendtrans-131-56176.900000110.4N129 L130A70-N129 WeakPolarHBondContact O-CA 3.47Å; A70-L130 PolarHBondContact O-N 2.78Å
71Q95.6Very high95.3Very high55 Ų5536.5 Ų36.526%0.25719%0.192SC..EExtended strand (participates in β ladder)trans-100.5135169.4-64-177.1-0.600109.4I44 V45 G128I44-Q71 WeakPolarHBondContact CA-O 3.23Å; I44-Q71 HydrophobicContact CB-CB 4.42Å; I44-Q71 HydrophobicContact CG1-CB 3.93Å; I44-Q71 HydrophobicContact CG2-CB 4.46Å; V45-Q71 PolarHBondContact N-O 3.42Å; Q71-G128 WeakPolarHBondContact CA-O 3.37Å
72V97.9Very high95.5Very high0 Ų040.3 Ų40.30%021%0.212CC..EExtended strand (participates in β ladder)trans-140.6156.7-173.2-61.10000111.1V45 L52 V69 S127 G128 M139V45-V72 WeakPolarHBondContact O-CA 3.45Å; V45-V72 WeakPolarHBondContact O-CB 3.3Å; L52-V72 HydrophobicContact CD1-CG2 3.91Å; L52-V72 HydrophobicContact CD2-CB 4.24Å; L52-V72 HydrophobicContact CD2-CG1 3.82Å; L52-V72 HydrophobicContact CD2-CG2 4.14Å; V69-V72 HydrophobicContact CB-CG1 4.04Å; V72-S127 WeakPolarHBondContact O-CA 3.3Å; V72-G128 PolarHBondContact N-O 2.96Å; V72-G128 PolarHBondContact O-N 2.73Å; V72-M139 HydrophobicContact CG2-SD 3.87Å
73T98.6Very high95.4Very high14 Ų1443.9 Ų43.99%0.08623%0.227CC..EExtended strand (participates in β ladder)trans-114.5143.9163.259.60000111.1I44 V45 P46 C47 V126 S127 H156I44-T73 HydrophobicContact CG2-CG2 3.54Å; V45-T73 PolarHBondContact O-N 2.77Å; V45-T73 VanDerWaalsContact O-N 3.13Å; P46-T73 VanDerWaalsContact CA-OG1 3.3Å; P46-T73 WeakPolarHBondContact CA-OG1 3.14Å; C47-T73 PolarHBondContact N-O 3.35Å; T73-V126 CarbonylContact C-O 3.51Å; T73-V126 WeakPolarHBondContact CA-O 3.32Å; T73-S127 VanDerWaalsContact CG2-OG 3.31Å; T73-S127 WeakPolarHBondContact CG2-OG 3.39Å; T73-H156 PolarHBondContact O-CE1 2.93Å; T73-H156 PolarHBondContact OG1-CE1 2.84Å
74I98.8Very high95.3Very high0 Ų041.4 Ų41.40%023%0.227CC..EExtended strand (participates in β ladder)trans-130.4153.116865.5174.5000109.4V49 L52 V92 V102 K125 V126 M139V49-I74 HydrophobicContact CG2-CD1 4.2Å; L52-I74 HydrophobicContact CD1-CG2 3.65Å; I74-V92 HydrophobicContact CD1-CB 4.18Å; I74-V92 HydrophobicContact CD1-CG1 3.97Å; I74-V102 HydrophobicContact CD1-CG2 4.4Å; I74-K125 WeakPolarHBondContact O-CA 3.49Å; I74-V126 HydrophobicContact CG1-CB 3.9Å; I74-V126 HydrophobicContact CG1-CG2 4.28Å; I74-V126 PolarHBondContact N-O 3.36Å; I74-V126 PolarHBondContact O-N 2.84Å; I74-M139 HydrophobicContact CD1-CE 3.46Å; I74-M139 VanDerWaalsContact CD1-CE 3.46Å; I74-M139 HydrophobicContact CG1-CE 3.69Å
75V98.9Very high94.9Very high9 Ų948.8 Ų48.86%0.05526%0.262CS..EExtended strand (participates in β ladder)trans-123.3126.4169.4172.90000108.4D94 V124 K125 L147 I153 H156V75-D94 VanDerWaalsContact O-CB 3.3Å; V75-D94 WeakPolarHBondContact O-CB 3.43Å; V75-V124 WeakPolarHBondContact CA-O 3.37Å; V75-K125 HydrophobicContact CG2-CB 3.95Å; V75-K125 HydrophobicContact CG2-CD 4.16Å; V75-K125 HydrophobicContact CG2-CG 3.81Å; V75-L147 HydrophobicContact CG1-CD1 4.29Å; V75-L147 HydrophobicContact CG1-CD2 3.8Å; V75-I153 HydrophobicContact CG1-CB 4.49Å; V75-I153 HydrophobicContact CG1-CG1 3.93Å; V75-H156 HydrophobicContact CB-CB 3.96Å; V75-H156 HydrophobicContact CG2-CB 3.61Å
76G98.8Very high94.9Very high1 Ų149.3 Ų49.31%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-166.7174.7-177.400000112.8D93 Y123 V124G76-D93 CarbonylContact C-O 3.48Å; G76-D93 VanDerWaalsContact CA-O 3.24Å; G76-D93 WeakPolarHBondContact CA-O 3.37Å; G76-Y123 CarbonylContact O-C 3.56Å; G76-Y123 WeakPolarHBondContact O-CA 3.28Å; G76-V124 PolarHBondContact N-O 3.16Å; G76-V124 VanDerWaalsContact N-O 3.09Å; G76-V124 PolarHBondContact O-N 2.91Å
77I98.8Very high95.2Very high21 Ų2142.2 Ų42.211%0.10822%0.221CC..EExtended strand (participates in β ladder)trans-92.2136.6177.7-166172.6000110.5R79 D93 M95 Y123I77-R79 PolarHBondContact O-N 3.37Å; I77-D93 HydrophobicContact CG2-CB 4.16Å; I77-D93 PolarHBondContact N-O 3.11Å; I77-D93 PolarHBondContact O-N 3.11Å; I77-M95 HydrophobicContact CG2-CE 3.67Å; I77-Y123 HydrophobicContact CB-CD1 4.11Å; I77-Y123 HydrophobicContact CB-CD2 4.41Å; I77-Y123 HydrophobicContact CB-CE1 3.91Å; I77-Y123 HydrophobicContact CB-CE2 4.23Å; I77-Y123 HydrophobicContact CB-CG 4.37Å; I77-Y123 HydrophobicContact CD1-CD2 4.38Å; I77-Y123 HydrophobicContact CD1-CE2 3.94Å; I77-Y123 HydrophobicContact CG1-CD2 4.32Å; I77-Y123 HydrophobicContact CG1-CE2 4.26Å
78I98.8Very high95.4Very high1 Ų141.6 Ų41.61%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-71.8122.9172.5-64.1173.4000109.1T80 T81 Y90 V92 I118 P120 G121 T122 V124I78-T80 VanDerWaalsContact CG2-O 3.26Å; I78-T80 WeakPolarHBondContact CG2-O 3.33Å; I78-T81 WeakPolarHBondContact CG2-OG1 3.29Å; I78-Y90 HydrophobicContact CD1-CD1 3.74Å; I78-Y90 HydrophobicContact CD1-CE1 3.97Å; I78-Y90 HydrophobicContact CD1-CG 4.37Å; I78-Y90 HydrophobicContact CG1-CD1 4.33Å; I78-Y90 HydrophobicContact CG2-CD1 4.03Å; I78-V92 HydrophobicContact CG1-CG2 4.45Å; I78-I118 HydrophobicContact CD1-CB 3.74Å; I78-I118 HydrophobicContact CD1-CG2 3.54Å; I78-P120 WeakPolarHBondContact O-CA 3.25Å; I78-G121 PolarHBondContact O-N 3.18Å; I78-T122 PolarHBondContact N-O 3.28Å; I78-V124 HydrophobicContact CD1-CG1 3.61Å; I78-V124 HydrophobicContact CD1-CG2 4.16Å; I78-V124 HydrophobicContact CG1-CG1 4.08Å; I78-V124 HydrophobicContact CG1-CG2 3.83Å
79R98.7Very high95.7Very high115 Ų11542.9 Ų42.943%0.43422%0.224SC..EExtended strand (participates in β ladder)trans-91.5-40.2174.7-61.6-56.5-164.6-179.44.7112.4I77 K91 D93 P99I77-R79 PolarHBondContact O-N 3.37Å; R79-K91 HydrophobicContact CB-CB 4.3Å; R79-K91 PolarHBondContact N-O 3.49Å; R79-D93 HydrophobicContact CG-CB 3.61Å; R79-D93 IonicContact CZ-OD2 3.95Å; R79-D93 IonicContact NE-OD2 2.73Å; R79-D93 PolarHBondContact NE-OD2 2.87Å; R79-D93 IonicContact NH2-OD2 3.18Å; R79-D93 PolarHBondContact NH2-OD2 3.45Å; R79-P99 HydrophobicContact CG-CB 4.45Å; R79-P99 HydrophobicContact CG-CG 4.15Å
80T98.5Very high95.9Very high51 Ų5142.8 Ų42.831%0.31322%0.223SC..EExtended strand (participates in β ladder)trans-140.9151.9176.967.40000110.3I78 Y90 K91I78-T80 VanDerWaalsContact CG2-O 3.26Å; I78-T80 WeakPolarHBondContact CG2-O 3.33Å; T80-Y90 WeakPolarHBondContact O-CA 3.34Å; T80-K91 PolarHBondContact O-N 2.87Å; T80-K91 WeakPolarHBondContact OG1-CB 3.24Å; T80-K91 WeakPolarHBondContact OG1-CD 3.25Å; T80-K91 VanDerWaalsContact OG1-CG 3.28Å; T80-K91 WeakPolarHBondContact OG1-CG 3.43Å
81T98.1Very high96.3Very high31 Ų3145.6 Ų45.619%0.1923%0.23CC..EExtended strand (participates in β ladder)trans-133.5119.5175.5-57.70000108.3I78 I88 Q89 Y90 V117 I118I78-T81 WeakPolarHBondContact CG2-OG1 3.29Å; T81-I88 HydrophobicContact CG2-CG2 3.91Å; T81-Q89 CarbonylContact C-O 3.6Å; T81-Q89 WeakPolarHBondContact CA-O 3.47Å; T81-Y90 HydrophobicContact CG2-CD1 3.84Å; T81-Y90 HydrophobicContact CG2-CE1 3.53Å; T81-V117 HydrophobicContact CG2-CG1 3.56Å; T81-I118 PolarHBondContact OG1-O 2.96Å
82D96.4Very high96.5Very high91 Ų9143 Ų4349%0.48722%0.218SC..EExtended strand (participates in β ladder)trans-123.8104.3-179.1-64.2-60.4000109.1Q89D82-Q89 HydrophobicContact CB-CB 4.31Å; D82-Q89 PolarHBondContact N-O 3.17Å; D82-Q89 PolarHBondContact O-N 2.87Å
83K92.4Very high96.5Very high85 Ų8543.8 Ų43.837%0.3722%0.222SC..EExtended strand (participates in β ladder)trans-88.8135.1179.1179.4171.3-179.6170.70111.3I88 V113 D114 V117K83-I88 HydrophobicContact CG-CG1 4.25Å; K83-V113 PolarHBondContact NZ-O 2.9Å; K83-D114 IonicContact NZ-OD1 3.82Å; K83-D114 PolarHBondContact NZ-OD1 3.28Å; K83-V117 HydrophobicContact CD-CG2 3.66Å
84S91.6Very high96.5Very high57 Ų5744.3 Ų44.340%0.39922%0.224SC..  trans-120.2175.4168.6-680000110.3T86 N87S84-T86 VanDerWaalsContact C-N 3.31Å; S84-T86 PolarHBondContact O-N 2.83Å; S84-N87 CarbonylContact C-O 3.57Å; S84-N87 WeakPolarHBondContact CA-O 3.5Å; S84-N87 PolarHBondContact N-O 2.86Å; S84-N87 VanDerWaalsContact O-O 3.14Å
85M87.4Confident96.5Very high174 Ų17449.6 Ų49.686%0.85725%0.25SS*.SBendtrans-59.3-39.9178.9-69.6-169.9-124.300113.2T108M85-T108 WeakPolarHBondContact O-CG2 3.44Å
86T89.9Confident96.5Very high69 Ų6951.9 Ų51.942%0.42327%0.265SS..SBendtrans-107.6-6.3-171.958.10000114S84 W105 V106S84-T86 VanDerWaalsContact C-N 3.31Å; S84-T86 PolarHBondContact O-N 2.83Å; T86-W105 VanDerWaalsContact O-CE3 3.3Å; T86-V106 PolarHBondContact O-N 2.85Å
87N93.1Very high96.3Very high12 Ų1253.7 Ų53.76%0.06428%0.283CS..EExtended strand (participates in β ladder)trans-160159.8-175.459.191.3000112.1S84 Q89 K103 Q104 W105S84-N87 CarbonylContact C-O 3.57Å; S84-N87 WeakPolarHBondContact CA-O 3.5Å; S84-N87 PolarHBondContact N-O 2.86Å; S84-N87 VanDerWaalsContact O-O 3.14Å; N87-Q89 PolarHBondContact OD1-NE2 2.94Å; N87-Q89 VanDerWaalsContact OD1-NE2 3.13Å; N87-K103 HydrophobicContact CB-CG 4.14Å; N87-K103 VanDerWaalsContact CG-CE 3.41Å; N87-Q104 CarbonylContact C-O 3.55Å; N87-Q104 WeakPolarHBondContact CA-O 3.49Å; N87-Q104 VanDerWaalsContact CB-O 3.25Å; N87-Q104 WeakPolarHBondContact CB-O 3.34Å; N87-W105 HydrophobicContact CB-CE3 4.05Å; N87-W105 HydrophobicContact CB-CZ3 4.42Å
88I95.5Very high96.3Very high1 Ų156 Ų561%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-113.9133.9167.3-54.1160.7000107.6T81 K83 Y90 Q104 V106 V117T81-I88 HydrophobicContact CG2-CG2 3.91Å; K83-I88 HydrophobicContact CG-CG1 4.25Å; I88-Y90 HydrophobicContact CB-CE2 4.11Å; I88-Y90 HydrophobicContact CG2-CD1 4.24Å; I88-Y90 HydrophobicContact CG2-CD2 4.28Å; I88-Y90 HydrophobicContact CG2-CE1 3.64Å; I88-Y90 HydrophobicContact CG2-CE2 3.68Å; I88-Q104 PolarHBondContact N-O 2.9Å; I88-Q104 PolarHBondContact O-N 2.85Å; I88-V106 HydrophobicContact CD1-CG2 3.88Å; I88-V106 HydrophobicContact CG1-CG2 3.74Å; I88-V117 HydrophobicContact CD1-CG2 3.93Å
89Q97.7Very high96.3Very high83 Ų8358.6 Ų58.639%0.38832%0.322SS..EExtended strand (participates in β ladder)trans-110.5128175.2-68.3174.149.500109.2T81 D82 N87 V102 K103T81-Q89 CarbonylContact C-O 3.6Å; T81-Q89 WeakPolarHBondContact CA-O 3.47Å; D82-Q89 HydrophobicContact CB-CB 4.31Å; D82-Q89 PolarHBondContact N-O 3.17Å; D82-Q89 PolarHBondContact O-N 2.87Å; N87-Q89 PolarHBondContact OD1-NE2 2.94Å; N87-Q89 VanDerWaalsContact OD1-NE2 3.13Å; Q89-V102 CarbonylContact C-O 3.55Å; Q89-V102 WeakPolarHBondContact CA-O 3.38Å; Q89-K103 HydrophobicContact CG-CG 4.39Å
90Y98.6Very high96.3Very high1 Ų153.2 Ų53.20%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-116.1148.2175.8-55.5-76.5000109.6I78 T80 T81 I88 V102 Q104 I118 V144I78-Y90 HydrophobicContact CD1-CD1 3.74Å; I78-Y90 HydrophobicContact CD1-CE1 3.97Å; I78-Y90 HydrophobicContact CD1-CG 4.37Å; I78-Y90 HydrophobicContact CG1-CD1 4.33Å; I78-Y90 HydrophobicContact CG2-CD1 4.03Å; T80-Y90 WeakPolarHBondContact O-CA 3.34Å; T81-Y90 HydrophobicContact CG2-CD1 3.84Å; T81-Y90 HydrophobicContact CG2-CE1 3.53Å; I88-Y90 HydrophobicContact CB-CE2 4.11Å; I88-Y90 HydrophobicContact CG2-CD1 4.24Å; I88-Y90 HydrophobicContact CG2-CD2 4.28Å; I88-Y90 HydrophobicContact CG2-CE1 3.64Å; I88-Y90 HydrophobicContact CG2-CE2 3.68Å; Y90-V102 PolarHBondContact N-O 3.49Å; Y90-V102 PolarHBondContact O-N 3.3Å; Y90-Q104 HydrophobicContact CE2-CB 4.35Å; Y90-I118 HydrophobicContact CE1-CB 4.21Å; Y90-I118 WeakPolarHBondContact CE1-O 3.17Å; Y90-I118 PolarHBondContact OH-N 3.31Å; Y90-V144 HydrophobicContact CD2-CG1 4.45Å; Y90-V144 HydrophobicContact CD2-CG2 4.46Å; Y90-V144 HydrophobicContact CE2-CB 4.5Å; Y90-V144 HydrophobicContact CE2-CG1 4.15Å; Y90-V144 HydrophobicContact CE2-CG2 4.17Å
91K98.8Very high96.3Very high87 Ų8753 Ų5338%0.37830%0.299SS..EExtended strand (participates in β ladder)trans-104111.2160.5-72.3-172.6177-174.60109.3R79 T80 P99 M100 D101R79-K91 HydrophobicContact CB-CB 4.3Å; R79-K91 PolarHBondContact N-O 3.49Å; T80-K91 PolarHBondContact O-N 2.87Å; T80-K91 WeakPolarHBondContact OG1-CB 3.24Å; T80-K91 WeakPolarHBondContact OG1-CD 3.25Å; T80-K91 VanDerWaalsContact OG1-CG 3.28Å; T80-K91 WeakPolarHBondContact OG1-CG 3.43Å; K91-P99 HydrophobicContact CB-CB 4.05Å; K91-M100 WeakPolarHBondContact CA-O 3.31Å; K91-D101 WeakPolarHBondContact CE-OD1 3.22Å; K91-D101 WeakPolarHBondContact CG-OD1 3.39Å
92V98.8Very high96.3Very high1 Ų151.7 Ų51.71%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-104.5127.7-175.9-1770000109.8I74 I78 P99 M100 V102 V124 V126I74-V92 HydrophobicContact CD1-CB 4.18Å; I74-V92 HydrophobicContact CD1-CG1 3.97Å; I78-V92 HydrophobicContact CG1-CG2 4.45Å; V92-P99 CarbonylContact O-C 3.59Å; V92-P99 WeakPolarHBondContact O-CA 3.48Å; V92-M100 PolarHBondContact N-O 2.74Å; V92-M100 PolarHBondContact O-N 2.89Å; V92-V102 HydrophobicContact CB-CG2 4.09Å; V92-V102 HydrophobicContact CG2-CB 4.21Å; V92-V102 HydrophobicContact CG2-CG2 3.66Å; V92-V124 HydrophobicContact CG1-CG2 4.28Å; V92-V124 HydrophobicContact CG2-CG2 4.27Å; V92-V126 HydrophobicContact CG2-CG2 4.32Å
93D98.8Very high96.3Very high16 Ų1650.2 Ų50.29%0.08628%0.28CS..EExtended strand (participates in β ladder)trans-119.5122.5-176.4-176.94.7000110.6G76 I77 R79 M95 P99G76-D93 CarbonylContact C-O 3.48Å; G76-D93 VanDerWaalsContact CA-O 3.24Å; G76-D93 WeakPolarHBondContact CA-O 3.37Å; I77-D93 HydrophobicContact CG2-CB 4.16Å; I77-D93 PolarHBondContact N-O 3.11Å; I77-D93 PolarHBondContact O-N 3.11Å; R79-D93 HydrophobicContact CG-CB 3.61Å; R79-D93 IonicContact CZ-OD2 3.95Å; R79-D93 IonicContact NE-OD2 2.73Å; R79-D93 PolarHBondContact NE-OD2 2.87Å; R79-D93 IonicContact NH2-OD2 3.18Å; R79-D93 PolarHBondContact NH2-OD2 3.45Å; D93-M95 HydrophobicContact CB-CE 4.02Å; D93-M95 WeakPolarHBondContact O-CE 3.34Å; D93-M95 WeakPolarHBondContact OD1-CA 3.43Å; D93-M95 WeakPolarHBondContact OD1-CE 3.32Å; D93-M95 PolarHBondContact OD1-N 3.33Å; D93-M95 WeakPolarHBondContact OD2-CE 3.3Å; D93-P99 HydrophobicContact CB-CB 4.15Å; D93-P99 HydrophobicContact CB-CG 4Å
94D98.4Very high96.5Very high24 Ų2447.9 Ų47.913%0.12827%0.27CS..  trans-108.610.3176.475-10.4000112.9T48 V49 V75 T96T48-D94 VanDerWaalsContact CA-OD2 3.24Å; T48-D94 WeakPolarHBondContact CA-OD2 3.17Å; T48-D94 WeakPolarHBondContact CB-OD2 3.36Å; V49-D94 WeakPolarHBondContact CB-OD1 3.3Å; V49-D94 HydrophobicContact CG2-CB 4.25Å; V49-D94 PolarHBondContact N-OD2 3.38Å; V75-D94 VanDerWaalsContact O-CB 3.3Å; V75-D94 WeakPolarHBondContact O-CB 3.43Å; D94-T96 VanDerWaalsContact CG-OG1 3.23Å; D94-T96 PolarHBondContact O-N 2.86Å; D94-T96 WeakPolarHBondContact OD1-CB 3.35Å; D94-T96 PolarHBondContact OD1-N 3.14Å; D94-T96 PolarHBondContact OD1-OG1 2.91Å; D94-T96 PolarHBondContact OD2-OG1 2.9Å
95M98.3Very high96.5Very high111 Ų11152.3 Ų52.355%0.54728%0.279SS..SBendtrans68.26.2-176.3-44.2-56.3122.900116I77 D93I77-M95 HydrophobicContact CG2-CE 3.67Å; D93-M95 HydrophobicContact CB-CE 4.02Å; D93-M95 WeakPolarHBondContact O-CE 3.34Å; D93-M95 WeakPolarHBondContact OD1-CA 3.43Å; D93-M95 WeakPolarHBondContact OD1-CE 3.32Å; D93-M95 PolarHBondContact OD1-N 3.33Å; D93-M95 WeakPolarHBondContact OD2-CE 3.3Å
96T98.4Very high96.5Very high58 Ų5845.2 Ų45.236%0.35625%0.245SC..SBendtrans-91.1-16.4179.168.90000113.3T48 V49 S50 D94T48-T96 HydrophobicContact CG2-CG2 3.81Å; V49-T96 PolarHBondContact N-OG1 2.6Å; S50-T96 VanDerWaalsContact CB-O 3.3Å; S50-T96 WeakPolarHBondContact CB-O 3.39Å; S50-T96 WeakPolarHBondContact CB-OG1 3.38Å; S50-T96 PolarHBondContact N-OG1 3.44Å; S50-T96 WeakPolarHBondContact OG-CB 3.48Å; S50-T96 PolarHBondContact OG-OG1 2.89Å; D94-T96 VanDerWaalsContact CG-OG1 3.23Å; D94-T96 PolarHBondContact O-N 2.86Å; D94-T96 WeakPolarHBondContact OD1-CB 3.35Å; D94-T96 PolarHBondContact OD1-N 3.14Å; D94-T96 PolarHBondContact OD1-OG1 2.91Å; D94-T96 PolarHBondContact OD2-OG1 2.9Å
97G96.1Very high96.1Very high38 Ų3846.7 Ų46.739%0.39225%0.25SS..SBendtrans-167.1-161.4179.700000112.3
98A97.6Very high95.3Very high71 Ų7150.8 Ų50.859%0.58728%0.276SS*.SBendtrans-66.7147.9170.900000110.5V49 M100V49-A98 VanDerWaalsContact CG1-O 3.32Å; V49-A98 WeakPolarHBondContact CG1-O 3.41Å; A98-M100 PolarHBondContact O-N 3.32Å
99P98.6Very high94.4Very high55 Ų5559 Ų5936%0.35731%0.314SS..PPolyproline II helixtrans-55135.7179.3-24.832.9000112.4R79 K91 V92 D93R79-P99 HydrophobicContact CG-CB 4.45Å; R79-P99 HydrophobicContact CG-CG 4.15Å; K91-P99 HydrophobicContact CB-CB 4.05Å; V92-P99 CarbonylContact O-C 3.59Å; V92-P99 WeakPolarHBondContact O-CA 3.48Å; D93-P99 HydrophobicContact CB-CB 4.15Å; D93-P99 HydrophobicContact CB-CG 4Å
100M98.4Very high93.3Very high2 Ų258.4 Ų58.41%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-85.9136.4178.9174.7164-75.400111.1V49 L52 M53 K91 V92 A98 V102 L130 M139V49-M100 HydrophobicContact CG1-CB 3.89Å; V49-M100 HydrophobicContact CG1-CE 4.38Å; V49-M100 HydrophobicContact CG2-CB 4.07Å; L52-M100 HydrophobicContact CB-CE 3.55Å; L52-M100 HydrophobicContact CD1-CE 3.92Å; L52-M100 HydrophobicContact CD1-SD 3.85Å; L52-M100 HydrophobicContact CG-CE 4.39Å; M53-M100 HydrophobicContact CG-CE 4.12Å; M53-M100 HydrophobicContact SD-CE 3.7Å; K91-M100 WeakPolarHBondContact CA-O 3.31Å; V92-M100 PolarHBondContact N-O 2.74Å; V92-M100 PolarHBondContact O-N 2.89Å; A98-M100 PolarHBondContact O-N 3.32Å; M100-V102 HydrophobicContact CG-CG2 4.39Å; M100-V102 PolarHBondContact O-N 3.18Å; M100-L130 HydrophobicContact CE-CD1 4.45Å; M100-M139 HydrophobicContact SD-CB 4.1Å
101D98.6Very high91.7Very high47 Ų4764.2 Ų64.225%0.25135%0.351SS..EExtended strand (participates in β ladder)trans-73.3123.9170.1-67.3-37.4000110.4K91 H136 S138 M139K91-D101 WeakPolarHBondContact CE-OD1 3.22Å; K91-D101 WeakPolarHBondContact CG-OD1 3.39Å; D101-H136 IonicContact OD2-CD2 3.13Å; D101-H136 IonicContact OD2-CE1 2.67Å; D101-H136 PolarHBondContact OD2-CE1 3.26Å; D101-H136 IonicContact OD2-NE2 3.99Å; D101-H136 PolarHBondContact OD2-NE2 2.89Å; D101-S138 CarbonylContact O-C 3.55Å; D101-S138 VanDerWaalsContact O-CA 3.3Å; D101-S138 WeakPolarHBondContact O-CA 3.38Å; D101-S138 WeakPolarHBondContact O-CB 3.3Å; D101-M139 PolarHBondContact O-N 2.86Å
102V98.6Very high90.4Very high2 Ų262.2 Ų62.21%0.01235%0.349CS..EExtended strand (participates in β ladder)trans-121.9120.8-179.8176.80000108.8I74 Q89 Y90 V92 M100 V126 M139 A141I74-V102 HydrophobicContact CD1-CG2 4.4Å; Q89-V102 CarbonylContact C-O 3.55Å; Q89-V102 WeakPolarHBondContact CA-O 3.38Å; Y90-V102 PolarHBondContact N-O 3.49Å; Y90-V102 PolarHBondContact O-N 3.3Å; V92-V102 HydrophobicContact CB-CG2 4.09Å; V92-V102 HydrophobicContact CG2-CB 4.21Å; V92-V102 HydrophobicContact CG2-CG2 3.66Å; M100-V102 HydrophobicContact CG-CG2 4.39Å; M100-V102 PolarHBondContact O-N 3.18Å; V102-V126 HydrophobicContact CG1-CG1 3.77Å; V102-M139 CarbonylContact C-O 3.48Å; V102-M139 WeakPolarHBondContact CA-O 3.49Å; V102-M139 HydrophobicContact CB-CE 4.4Å; V102-M139 HydrophobicContact CG1-CE 4.05Å; V102-M139 HydrophobicContact CG2-CB 4.38Å; V102-M139 HydrophobicContact CG2-CE 3.52Å; V102-A141 HydrophobicContact CG1-CB 3.79Å
103K97.6Very high88.8Confident60 Ų6063 Ų6326%0.26135%0.353SS..EExtended strand (participates in β ladder)trans-108.2123.6177.7-175.4178-177.11750110.6N87 Q89 W105 M139 V140 A141N87-K103 HydrophobicContact CB-CG 4.14Å; N87-K103 VanDerWaalsContact CG-CE 3.41Å; Q89-K103 HydrophobicContact CG-CG 4.39Å; K103-W105 HydrophobicContact CD-CZ2 4.28Å; K103-W105 VanDerWaalsContact NZ-CZ2 3.25Å; K103-M139 PolarHBondContact N-O 2.96Å; K103-V140 CarbonylContact O-C 3.49Å; K103-V140 WeakPolarHBondContact O-CA 3.47Å; K103-A141 PolarHBondContact O-N 3.45Å
104Q95.6Very high87.2Confident36 Ų3668.5 Ų68.517%0.16838%0.383CS..EExtended strand (participates in β ladder)trans-109125.1171.3-175.6178.612.800109.1N87 I88 Y90 V144N87-Q104 CarbonylContact C-O 3.55Å; N87-Q104 WeakPolarHBondContact CA-O 3.49Å; N87-Q104 VanDerWaalsContact CB-O 3.25Å; N87-Q104 WeakPolarHBondContact CB-O 3.34Å; I88-Q104 PolarHBondContact N-O 2.9Å; I88-Q104 PolarHBondContact O-N 2.85Å; Y90-Q104 HydrophobicContact CE2-CB 4.35Å; Q104-V144 HydrophobicContact CB-CG2 4.22Å; Q104-V144 HydrophobicContact CG-CG2 4.33Å
105W92.4Very high85.7Confident151 Ų15172.1 Ų72.157%0.57241%0.41SS*.EExtended strand (participates in β ladder)trans-74.9143.7172.5-66.6104.8000110.2T86 N87 K103T86-W105 VanDerWaalsContact O-CE3 3.3Å; N87-W105 HydrophobicContact CB-CE3 4.05Å; N87-W105 HydrophobicContact CB-CZ3 4.42Å; K103-W105 HydrophobicContact CD-CZ2 4.28Å; K103-W105 VanDerWaalsContact NZ-CZ2 3.25Å
106V87.3Confident84.7Confident24 Ų2469.6 Ų69.615%0.14540%0.401CS..  trans-112.2134.7-178162.10000108.1T86 I88 T108 V113T86-V106 PolarHBondContact O-N 2.85Å; I88-V106 HydrophobicContact CD1-CG2 3.88Å; I88-V106 HydrophobicContact CG1-CG2 3.74Å; V106-T108 PolarHBondContact O-N 3.41Å; V106-V113 HydrophobicContact CB-CG1 4.24Å; V106-V113 HydrophobicContact CG1-CB 4.02Å; V106-V113 HydrophobicContact CG1-CG1 3.2Å; V106-V113 HydrophobicContact CG1-CG2 3.55Å; V106-V113 HydrophobicContact CG2-CG1 4Å
107D81.7Confident84.4Confident100 Ų10069 Ų6954%0.53540%0.397SS..  trans-78.2113.7166.5-167.2-20.2000109.1E109 D110 V113D107-E109 PolarHBondContact O-N 3.42Å; D107-E109 PolarHBondContact OD1-N 3.33Å; D107-D110 HydrophobicContact CB-CB 4.22Å; D107-D110 PolarHBondContact O-N 3.46Å; D107-V113 VanDerWaalsContact O-CG2 3.29Å; D107-V113 WeakPolarHBondContact O-CG2 3.25Å
108T76Confident84.4Confident99 Ų9967.8 Ų67.861%0.60738%0.381SS*.THydrogen-bonded Turntrans-69.9-13.8-178.148.70000113.5M85 V106M85-T108 WeakPolarHBondContact O-CG2 3.44Å; V106-T108 PolarHBondContact O-N 3.41Å
109E75.6Confident84.3Confident173 Ų17368 Ų6881%0.80838%0.377SS*.THydrogen-bonded Turntrans-89.4-13.6178.6-57.9-171.6169.500112.4D107 P111D107-E109 PolarHBondContact O-N 3.42Å; D107-E109 PolarHBondContact OD1-N 3.33Å; E109-P111 VanDerWaalsContact O-CD 3.3Å; E109-P111 WeakPolarHBondContact O-CD 3.24Å
110D74.3Confident84.3Confident70 Ų7068.9 Ų68.937%0.37438%0.383SS..  trans-86112.7177.9-172.9-12.6000110.7D107 S112 V113D107-D110 HydrophobicContact CB-CB 4.22Å; D107-D110 PolarHBondContact O-N 3.46Å; D110-S112 PolarHBondContact O-N 2.88Å; D110-S112 WeakPolarHBondContact OD1-CB 3.3Å; D110-S112 PolarHBondContact OD1-N 3.13Å; D110-S112 PolarHBondContact OD1-OG 2.94Å; D110-S112 PolarHBondContact OD2-OG 3.46Å; D110-V113 HydrophobicContact CB-CG2 4.09Å; D110-V113 WeakPolarHBondContact O-CG2 3.33Å; D110-V113 PolarHBondContact O-N 2.67Å
111P66.1Low84.3Confident123 Ų12371.2 Ų71.280%0.79941%0.407SS*.G310 helixtrans-68.6-11.5178.928.2-33.9000113.4E109 V113E109-P111 VanDerWaalsContact O-CD 3.3Å; E109-P111 WeakPolarHBondContact O-CD 3.24Å; P111-V113 VanDerWaalsContact C-N 3.26Å; P111-V113 PolarHBondContact O-N 3.13Å
112S71.2Confident84.3Confident46 Ų4670.7 Ų70.732%0.32241%0.405SS..G310 helixtrans-78.1-5.9179.9770000113.9D110 D114 S115 T116D110-S112 PolarHBondContact O-N 2.88Å; D110-S112 WeakPolarHBondContact OD1-CB 3.3Å; D110-S112 PolarHBondContact OD1-N 3.13Å; D110-S112 PolarHBondContact OD1-OG 2.94Å; D110-S112 PolarHBondContact OD2-OG 3.46Å; S112-D114 VanDerWaalsContact C-N 3.27Å; S112-D114 PolarHBondContact O-N 3.47Å; S112-D114 VanDerWaalsContact O-N 3.14Å; S112-S115 WeakPolarHBondContact O-CA 3.5Å; S112-S115 WeakPolarHBondContact O-CB 3.31Å; S112-S115 PolarHBondContact O-N 2.95Å; S112-S115 PolarHBondContact O-OG 3.11Å; S112-T116 PolarHBondContact O-N 3.17Å
113V65.3Low84.3Confident17 Ų1774.1 Ų74.110%0.10342%0.419CS..G310 helixtrans-59.6-30.5-172.9169.70000114.4K83 V106 D107 D110 P111 S115 T116K83-V113 PolarHBondContact NZ-O 2.9Å; V106-V113 HydrophobicContact CB-CG1 4.24Å; V106-V113 HydrophobicContact CG1-CB 4.02Å; V106-V113 HydrophobicContact CG1-CG1 3.2Å; V106-V113 HydrophobicContact CG1-CG2 3.55Å; V106-V113 HydrophobicContact CG2-CG1 4Å; D107-V113 VanDerWaalsContact O-CG2 3.29Å; D107-V113 WeakPolarHBondContact O-CG2 3.25Å; D110-V113 HydrophobicContact CB-CG2 4.09Å; D110-V113 WeakPolarHBondContact O-CG2 3.33Å; D110-V113 PolarHBondContact O-N 2.67Å; P111-V113 VanDerWaalsContact C-N 3.26Å; P111-V113 PolarHBondContact O-N 3.13Å; V113-S115 VanDerWaalsContact C-N 3.25Å; V113-S115 PolarHBondContact O-N 2.83Å; V113-T116 WeakPolarHBondContact CA-OG1 3.16Å; V113-T116 PolarHBondContact O-N 2.99Å; V113-T116 PolarHBondContact O-OG1 2.97Å
114D65.7Low84.3Confident131 Ų13171.3 Ų71.370%0.70141%0.406SS*.G310 helixtrans-66.5-31.7173.3-79.3-33.9000111.9K83 S112 T116K83-D114 IonicContact NZ-OD1 3.82Å; K83-D114 PolarHBondContact NZ-OD1 3.28Å; S112-D114 VanDerWaalsContact C-N 3.27Å; S112-D114 PolarHBondContact O-N 3.47Å; S112-D114 VanDerWaalsContact O-N 3.14Å; D114-T116 VanDerWaalsContact C-N 3.33Å
115S66.1Low84.5Confident100 Ų10071.8 Ų71.870%0.69941%0.408SS*.THydrogen-bonded Turntrans-79.2-12176.169.80000114.2S112 V113S112-S115 WeakPolarHBondContact O-CA 3.5Å; S112-S115 WeakPolarHBondContact O-CB 3.31Å; S112-S115 PolarHBondContact O-N 2.95Å; S112-S115 PolarHBondContact O-OG 3.11Å; V113-S115 VanDerWaalsContact C-N 3.25Å; V113-S115 PolarHBondContact O-N 2.83Å
116T77.1Confident84.8Confident59 Ų5964.6 Ų64.636%0.36238%0.381SS..THydrogen-bonded Turntrans-92.1-5.2179.164.30000113.8S112 V113 D114 I118S112-T116 PolarHBondContact O-N 3.17Å; V113-T116 WeakPolarHBondContact CA-OG1 3.16Å; V113-T116 PolarHBondContact O-N 2.99Å; V113-T116 PolarHBondContact O-OG1 2.97Å; D114-T116 VanDerWaalsContact C-N 3.33Å; T116-I118 PolarHBondContact O-N 3.02Å
117V91.9Very high85.3Confident44 Ų4464.5 Ų64.527%0.26738%0.381SS..PPolyproline II helixtrans-74.2117.8178.1-173.10000110T81 K83 I88T81-V117 HydrophobicContact CG2-CG1 3.56Å; K83-V117 HydrophobicContact CD-CG2 3.66Å; I88-V117 HydrophobicContact CD1-CG2 3.93Å
118I95.8Very high86.1Confident13 Ų1359.7 Ų59.77%0.06736%0.356CS..PPolyproline II helixtrans-90.9126-179.6-53.4167.6000109.3I78 T81 Y90 T116 T122 V124 V144 P146I78-I118 HydrophobicContact CD1-CB 3.74Å; I78-I118 HydrophobicContact CD1-CG2 3.54Å; T81-I118 PolarHBondContact OG1-O 2.96Å; Y90-I118 HydrophobicContact CE1-CB 4.21Å; Y90-I118 WeakPolarHBondContact CE1-O 3.17Å; Y90-I118 PolarHBondContact OH-N 3.31Å; T116-I118 PolarHBondContact O-N 3.02Å; I118-T122 HydrophobicContact CG2-CG2 3.6Å; I118-V124 HydrophobicContact CD1-CG1 3.95Å; I118-V124 HydrophobicContact CG2-CG1 3.97Å; I118-V144 HydrophobicContact CD1-CB 4.25Å; I118-V144 HydrophobicContact CD1-CG1 3.62Å; I118-P146 HydrophobicContact CD1-CG 3.81Å; I118-P146 HydrophobicContact CG1-CG 4.04Å; I118-P146 HydrophobicContact CG2-CG 4.19Å
119P96.3Very high87Confident77 Ų7756.2 Ų56.250%0.533%0.333SS..PPolyproline II helixtrans-75.1156.7-175.829.4-34000112.7T122P119-T122 WeakPolarHBondContact O-CB 3.44Å; P119-T122 PolarHBondContact O-N 3.39Å; P119-T122 PolarHBondContact O-OG1 2.82Å
120P98.3Very high88Confident73 Ų7348 Ų4847%0.47430%0.295SS..THydrogen-bonded Turntrans-54.3150169.2-2535.2000112.9I78 T122I78-P120 WeakPolarHBondContact O-CA 3.25Å; P120-T122 VanDerWaalsContact C-N 3.29Å
121G98.3Very high89Confident50 Ų5049.8 Ų49.852%0.51530%0.296SS..THydrogen-bonded Turntrans87.1-6.8-17500000114.2I78I78-G121 PolarHBondContact O-N 3.18Å
122T98.6Very high90.3Very high36 Ų3645.4 Ų45.422%0.22127%0.268CS..  trans-87.6132.2178.4-47.60000110.6I78 I118 P119 P120 V124 P146I78-T122 PolarHBondContact N-O 3.28Å; I118-T122 HydrophobicContact CG2-CG2 3.6Å; P119-T122 WeakPolarHBondContact O-CB 3.44Å; P119-T122 PolarHBondContact O-N 3.39Å; P119-T122 PolarHBondContact O-OG1 2.82Å; P120-T122 VanDerWaalsContact C-N 3.29Å; T122-V124 HydrophobicContact CG2-CG1 4.42Å; T122-P146 HydrophobicContact CG2-CB 4.01Å
123Y98.8Very high91.3Very high75 Ų7550.3 Ų50.329%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-76.7135.1167.9-82.3-88.4000110.3G76 I77 P146 L147 M150 I153G76-Y123 CarbonylContact O-C 3.56Å; G76-Y123 WeakPolarHBondContact O-CA 3.28Å; I77-Y123 HydrophobicContact CB-CD1 4.11Å; I77-Y123 HydrophobicContact CB-CD2 4.41Å; I77-Y123 HydrophobicContact CB-CE1 3.91Å; I77-Y123 HydrophobicContact CB-CE2 4.23Å; I77-Y123 HydrophobicContact CB-CG 4.37Å; I77-Y123 HydrophobicContact CD1-CD2 4.38Å; I77-Y123 HydrophobicContact CD1-CE2 3.94Å; I77-Y123 HydrophobicContact CG1-CD2 4.32Å; I77-Y123 HydrophobicContact CG1-CE2 4.26Å; Y123-P146 CarbonylContact O-C 3.52Å; Y123-P146 WeakPolarHBondContact O-CA 3.42Å; Y123-L147 PolarHBondContact O-N 3.06Å; Y123-M150 HydrophobicContact CD2-CE 3.52Å; Y123-M150 HydrophobicContact CD2-SD 4.25Å; Y123-M150 HydrophobicContact CE2-CE 3.7Å; Y123-M150 HydrophobicContact CG-CE 4Å; Y123-M150 HydrophobicContact CG-SD 4.45Å; Y123-I153 HydrophobicContact CD1-CD1 3.53Å; Y123-I153 HydrophobicContact CD1-CG1 4.25Å; Y123-I153 HydrophobicContact CD2-CD1 4.45Å; Y123-I153 HydrophobicContact CE1-CD1 3.59Å; Y123-I153 HydrophobicContact CE2-CD1 4.49Å; Y123-I153 HydrophobicContact CG-CD1 3.98Å
124V98.8Very high92.4Very high0 Ų057.5 Ų57.50%032%0.317CS..EExtended strand (participates in β ladder)trans-133.5146.5-178.1-65.60000111.8V75 G76 I78 V92 I118 T122 V126 V144 R145V75-V124 WeakPolarHBondContact CA-O 3.37Å; G76-V124 PolarHBondContact N-O 3.16Å; G76-V124 VanDerWaalsContact N-O 3.09Å; G76-V124 PolarHBondContact O-N 2.91Å; I78-V124 HydrophobicContact CD1-CG1 3.61Å; I78-V124 HydrophobicContact CD1-CG2 4.16Å; I78-V124 HydrophobicContact CG1-CG1 4.08Å; I78-V124 HydrophobicContact CG1-CG2 3.83Å; V92-V124 HydrophobicContact CG1-CG2 4.28Å; V92-V124 HydrophobicContact CG2-CG2 4.27Å; I118-V124 HydrophobicContact CD1-CG1 3.95Å; I118-V124 HydrophobicContact CG2-CG1 3.97Å; T122-V124 HydrophobicContact CG2-CG1 4.42Å; V124-V126 HydrophobicContact CB-CG2 4.32Å; V124-V126 HydrophobicContact CG2-CG2 3.67Å; V124-V144 HydrophobicContact CB-CG1 4.2Å; V124-V144 HydrophobicContact CG1-CG1 4.23Å; V124-V144 HydrophobicContact CG2-CG1 4.39Å; V124-R145 CarbonylContact C-O 3.58Å; V124-R145 WeakPolarHBondContact CA-O 3.37Å; V124-R145 WeakPolarHBondContact CB-O 3.41Å
125K98.7Very high93.4Very high46 Ų4657.8 Ų57.820%0.232%0.318CS..EExtended strand (participates in β ladder)trans-96125.7160.9-172163.6-169.8161.90107.1I74 V75 R145 L147 E159I74-K125 WeakPolarHBondContact O-CA 3.49Å; V75-K125 HydrophobicContact CG2-CB 3.95Å; V75-K125 HydrophobicContact CG2-CD 4.16Å; V75-K125 HydrophobicContact CG2-CG 3.81Å; K125-R145 PolarHBondContact N-O 3.47Å; K125-R145 PolarHBondContact O-N 2.99Å; K125-L147 HydrophobicContact CB-CD1 3.92Å; K125-E159 IonicContact NZ-OE2 2.62Å; K125-E159 PolarHBondContact NZ-OE2 3.4Å
126V98.7Very high94.6Very high0 Ų057.6 Ų57.60%031%0.306CS..EExtended strand (participates in β ladder)trans-117.9129.8-178.7-171.20000109.1T73 I74 V92 V102 V124 M139 A141 S143 V144T73-V126 CarbonylContact C-O 3.51Å; T73-V126 WeakPolarHBondContact CA-O 3.32Å; I74-V126 HydrophobicContact CG1-CB 3.9Å; I74-V126 HydrophobicContact CG1-CG2 4.28Å; I74-V126 PolarHBondContact N-O 3.36Å; I74-V126 PolarHBondContact O-N 2.84Å; V92-V126 HydrophobicContact CG2-CG2 4.32Å; V102-V126 HydrophobicContact CG1-CG1 3.77Å; V124-V126 HydrophobicContact CB-CG2 4.32Å; V124-V126 HydrophobicContact CG2-CG2 3.67Å; V126-M139 HydrophobicContact CB-CE 3.7Å; V126-M139 HydrophobicContact CG1-CE 3.2Å; V126-M139 HydrophobicContact CG1-SD 4.09Å; V126-A141 HydrophobicContact CG1-CB 3.7Å; V126-S143 WeakPolarHBondContact CA-O 3.37Å; V126-V144 HydrophobicContact CG1-CG2 4.17Å; V126-V144 HydrophobicContact CG2-CG1 4.17Å
127S98.3Very high95.5Very high22 Ų2255.9 Ų55.915%0.15429%0.293CS..EExtended strand (participates in β ladder)trans-116.9125.6172.3-53.30000109V72 T73 A141 F142 S143V72-S127 WeakPolarHBondContact O-CA 3.3Å; T73-S127 VanDerWaalsContact CG2-OG 3.31Å; T73-S127 WeakPolarHBondContact CG2-OG 3.39Å; S127-A141 WeakPolarHBondContact O-CA 3.45Å; S127-F142 VanDerWaalsContact CB-CE2 3.47Å; S127-F142 PolarHBondContact O-N 3.47Å; S127-S143 PolarHBondContact N-O 3.03Å; S127-S143 PolarHBondContact O-N 2.8Å; S127-S143 VanDerWaalsContact O-N 3.16Å
128G97.4Very high95.7Very high0 Ų055.1 Ų55.10%029%0.29CS..EExtended strand (participates in β ladder)trans-163.8178.5-171.400000114.2Q71 V72 V140Q71-G128 WeakPolarHBondContact CA-O 3.37Å; V72-G128 PolarHBondContact N-O 2.96Å; V72-G128 PolarHBondContact O-N 2.73Å; G128-V140 CarbonylContact C-O 3.56Å; G128-V140 WeakPolarHBondContact CA-O 3.4Å
129N96.5Very high95.8Very high26 Ų2654.5 Ų54.514%0.13929%0.287CS..EExtended strand (participates in β ladder)trans-101.2130.7175.3-64.7-100.4000109.7A70 M139 V140A70-N129 WeakPolarHBondContact O-CA 3.47Å; N129-M139 WeakPolarHBondContact O-CA 3.39Å; N129-V140 PolarHBondContact N-O 2.92Å; N129-V140 PolarHBondContact O-N 3.36Å
130L96.4Very high95.9Very high0 Ų052.5 Ų52.50%027%0.273CS..EExtended strand (participates in β ladder)trans-69.6137.1171.8-172.263.8000109.9L52 F62 V69 A70 M100L52-L130 HydrophobicContact CB-CD1 4.24Å; L52-L130 HydrophobicContact CD2-CD2 4.19Å; F62-L130 HydrophobicContact CB-CD2 3.78Å; F62-L130 HydrophobicContact CD1-CD2 3.68Å; F62-L130 HydrophobicContact CD1-CG 4.34Å; F62-L130 HydrophobicContact CD2-CB 4.29Å; F62-L130 HydrophobicContact CD2-CD2 3.8Å; F62-L130 HydrophobicContact CD2-CG 4.06Å; F62-L130 HydrophobicContact CE1-CD2 4.2Å; F62-L130 HydrophobicContact CE1-CG 4.4Å; F62-L130 HydrophobicContact CE2-CB 4.44Å; F62-L130 HydrophobicContact CE2-CD2 4.31Å; F62-L130 HydrophobicContact CE2-CG 4.13Å; F62-L130 HydrophobicContact CG-CD2 3.46Å; F62-L130 VanDerWaalsContact CG-CD2 3.46Å; F62-L130 HydrophobicContact CG-CG 4.17Å; F62-L130 HydrophobicContact CZ-CD2 4.49Å; F62-L130 HydrophobicContact CZ-CG 4.3Å; V69-L130 HydrophobicContact CG2-CD2 4.3Å; A70-L130 PolarHBondContact O-N 2.78Å; M100-L130 HydrophobicContact CE-CD1 4.45Å
131R95.1Very high95.9Very high107 Ų10749.3 Ų49.340%0.40425%0.253SS..EExtended strand (participates in β ladder)trans-134.9154.2177.4-65.7-66.8179.1-99.6-0.9109.6R137 S138 V140R131-R137 WeakPolarHBondContact O-CA 3.19Å; R131-S138 PolarHBondContact N-O 3.47Å; R131-S138 PolarHBondContact O-N 3.34Å; R131-S138 VanDerWaalsContact O-O 3.09Å; R131-V140 HydrophobicContact CG-CG2 3.82Å
132S93.6Very high95.7Very high31 Ų3152.2 Ų52.222%0.21725%0.251CS..EExtended strand (participates in β ladder)trans-136.8128.9172.4-179.60000108.1Q57 F62 H136Q57-S132 VanDerWaalsContact OE1-CB 3.24Å; Q57-S132 PolarHBondContact OE1-OG 3.24Å; F62-S132 VanDerWaalsContact CZ-CB 3.5Å; S132-H136 WeakPolarHBondContact CA-O 3.43Å
133F90.9Very high95.5Very high149 Ų14952.9 Ų52.965%0.65426%0.257SS*.EExtended strand (participates in β ladder)trans-134.5124.2174.2-179.6-101.7000108.5N135 H136F133-N135 PolarHBondContact O-N 2.81Å; F133-H136 PolarHBondContact N-O 3.46Å; F133-H136 WeakPolarHBondContact O-CA 3.49Å; F133-H136 VanDerWaalsContact O-CB 3.29Å; F133-H136 WeakPolarHBondContact O-CB 3.35Å; F133-H136 PolarHBondContact O-N 3.09Å
134Q89.8Confident95.4Very high169 Ų16950 Ų5079%0.7925%0.248SC*.THydrogen-bonded Turntrans50.441.4-176.4-62.4178.6-9.900112.9H136Q134-H136 PolarHBondContact O-N 3.09Å
135N85.3Confident95.3Very high136 Ų13653.7 Ų53.773%0.72726%0.262SS*.THydrogen-bonded Turntrans64.59.7-176.6-155.942000115.2F133F133-N135 PolarHBondContact O-N 2.81Å
136H92.5Very high95.2Very high96 Ų9654 Ų5444%0.44427%0.268SS..EExtended strand (participates in β ladder)trans-92.5119.2169.8-173.456.8000110.4D101 S132 F133 Q134D101-H136 IonicContact OD2-CD2 3.13Å; D101-H136 IonicContact OD2-CE1 2.67Å; D101-H136 PolarHBondContact OD2-CE1 3.26Å; D101-H136 IonicContact OD2-NE2 3.99Å; D101-H136 PolarHBondContact OD2-NE2 2.89Å; S132-H136 WeakPolarHBondContact CA-O 3.43Å; F133-H136 PolarHBondContact N-O 3.46Å; F133-H136 WeakPolarHBondContact O-CA 3.49Å; F133-H136 VanDerWaalsContact O-CB 3.29Å; F133-H136 WeakPolarHBondContact O-CB 3.35Å; F133-H136 PolarHBondContact O-N 3.09Å; Q134-H136 PolarHBondContact O-N 3.09Å
137R94.9Very high95.2Very high24 Ų2455 Ų559%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-93.4132.2-179.3-67.6-177.6-174.3-1692.4110.9L52 M53 A55 R131L52-R137 VanDerWaalsContact O-CD 3.32Å; L52-R137 WeakPolarHBondContact O-CD 3.45Å; L52-R137 PolarHBondContact O-NH1 2.9Å; M53-R137 PolarHBondContact O-NH1 2.85Å; M53-R137 HydrophobicContact SD-CB 3.9Å; A55-R137 PolarHBondContact O-NH1 2.77Å; A55-R137 PolarHBondContact O-NH2 3.28Å; R131-R137 WeakPolarHBondContact O-CA 3.19Å
138S97.4Very high95.1Very high28 Ų2860.9 Ų60.920%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-144.9164.6177.856.10000110D101 R131D101-S138 CarbonylContact O-C 3.55Å; D101-S138 VanDerWaalsContact O-CA 3.3Å; D101-S138 WeakPolarHBondContact O-CA 3.38Å; D101-S138 WeakPolarHBondContact O-CB 3.3Å; R131-S138 PolarHBondContact N-O 3.47Å; R131-S138 PolarHBondContact O-N 3.34Å; R131-S138 VanDerWaalsContact O-O 3.09Å
139M98.1Very high95.1Very high0 Ų064.6 Ų64.60%032%0.323CS..EExtended strand (participates in β ladder)trans-112.4132.8174.8-176.4172.247.800110.1V72 I74 M100 D101 V102 K103 V126 N129V72-M139 HydrophobicContact CG2-SD 3.87Å; I74-M139 HydrophobicContact CD1-CE 3.46Å; I74-M139 VanDerWaalsContact CD1-CE 3.46Å; I74-M139 HydrophobicContact CG1-CE 3.69Å; M100-M139 HydrophobicContact SD-CB 4.1Å; D101-M139 PolarHBondContact O-N 2.86Å; V102-M139 CarbonylContact C-O 3.48Å; V102-M139 WeakPolarHBondContact CA-O 3.49Å; V102-M139 HydrophobicContact CB-CE 4.4Å; V102-M139 HydrophobicContact CG1-CE 4.05Å; V102-M139 HydrophobicContact CG2-CB 4.38Å; V102-M139 HydrophobicContact CG2-CE 3.52Å; K103-M139 PolarHBondContact N-O 2.96Å; V126-M139 HydrophobicContact CB-CE 3.7Å; V126-M139 HydrophobicContact CG1-CE 3.2Å; V126-M139 HydrophobicContact CG1-SD 4.09Å; N129-M139 WeakPolarHBondContact O-CA 3.39Å
140V97.7Very high95.2Very high35 Ų3568 Ų6821%0.21234%0.34CS..EExtended strand (participates in β ladder)trans-96.8104.2169.1-179.50000107.8K103 G128 N129 R131K103-V140 CarbonylContact O-C 3.49Å; K103-V140 WeakPolarHBondContact O-CA 3.47Å; G128-V140 CarbonylContact C-O 3.56Å; G128-V140 WeakPolarHBondContact CA-O 3.4Å; N129-V140 PolarHBondContact N-O 2.92Å; N129-V140 PolarHBondContact O-N 3.36Å; R131-V140 HydrophobicContact CG-CG2 3.82Å
141A97.4Very high95.3Very high6 Ų673.1 Ų73.15%0.0537%0.367CS..EExtended strand (participates in β ladder)trans-79.3135.2-176.400000111.2V102 K103 V126 S127 V144V102-A141 HydrophobicContact CG1-CB 3.79Å; K103-A141 PolarHBondContact O-N 3.45Å; V126-A141 HydrophobicContact CG1-CB 3.7Å; S127-A141 WeakPolarHBondContact O-CA 3.45Å; A141-V144 HydrophobicContact CB-CG2 3.63Å
142F94.3Very high95.4Very high110 Ų11070.4 Ų70.448%0.48236%0.358SS..EExtended strand (participates in β ladder)trans-101.4-13163.456-99.8000111.3I44 S127I44-F142 HydrophobicContact CD1-CZ 4.09Å; S127-F142 VanDerWaalsContact CB-CE2 3.47Å; S127-F142 PolarHBondContact O-N 3.47Å
143S94.6Very high95.6Very high50 Ų5070.4 Ų70.435%0.3536%0.356SS..EExtended strand (participates in β ladder)trans-145.2130.2172.7-1750000110.4V126 S127V126-S143 WeakPolarHBondContact CA-O 3.37Å; S127-S143 PolarHBondContact N-O 3.03Å; S127-S143 PolarHBondContact O-N 2.8Å; S127-S143 VanDerWaalsContact O-N 3.16Å
144V96.8Very high96Very high16 Ų1667.2 Ų67.210%0.09735%0.349CS..EExtended strand (participates in β ladder)trans-130.9113.6170.6-171.50000105.9Y90 Q104 I118 V124 V126 A141Y90-V144 HydrophobicContact CD2-CG1 4.45Å; Y90-V144 HydrophobicContact CD2-CG2 4.46Å; Y90-V144 HydrophobicContact CE2-CB 4.5Å; Y90-V144 HydrophobicContact CE2-CG1 4.15Å; Y90-V144 HydrophobicContact CE2-CG2 4.17Å; Q104-V144 HydrophobicContact CB-CG2 4.22Å; Q104-V144 HydrophobicContact CG-CG2 4.33Å; I118-V144 HydrophobicContact CD1-CB 4.25Å; I118-V144 HydrophobicContact CD1-CG1 3.62Å; V124-V144 HydrophobicContact CB-CG1 4.2Å; V124-V144 HydrophobicContact CG1-CG1 4.23Å; V124-V144 HydrophobicContact CG2-CG1 4.39Å; V126-V144 HydrophobicContact CG1-CG2 4.17Å; V126-V144 HydrophobicContact CG2-CG1 4.17Å; A141-V144 HydrophobicContact CB-CG2 3.63Å
145R96.5Very high96.4Very high77 Ų7761.8 Ų61.829%0.29133%0.329SS..EExtended strand (participates in β ladder)trans-123.8127.5-176.1-170.9-164.554.694.28.5110.1V124 K125 D148 E152V124-R145 CarbonylContact C-O 3.58Å; V124-R145 WeakPolarHBondContact CA-O 3.37Å; V124-R145 WeakPolarHBondContact CB-O 3.41Å; K125-R145 PolarHBondContact N-O 3.47Å; K125-R145 PolarHBondContact O-N 2.99Å; R145-D148 IonicContact NH1-OD2 2.68Å; R145-D148 PolarHBondContact NH1-OD2 2.9Å; R145-D148 VanDerWaalsContact NH1-OD2 3.14Å; R145-E152 IonicContact CZ-OE1 2.73Å; R145-E152 IonicContact CZ-OE2 2.56Å; R145-E152 IonicContact NH1-OE1 2.95Å; R145-E152 PolarHBondContact NH1-OE1 3.48Å; R145-E152 IonicContact NH2-OE1 3.52Å; R145-E152 PolarHBondContact NH2-OE1 2.75Å; R145-E152 IonicContact NH2-OE2 3.33Å; R145-E152 PolarHBondContact NH2-OE2 3.45Å
146P98Very high97.1Very high52 Ų5255.7 Ų55.734%0.33830%0.296SS..EExtended strand (participates in β ladder)trans-55.2143.3166.1-22.234.3000111.4I118 T122 Y123I118-P146 HydrophobicContact CD1-CG 3.81Å; I118-P146 HydrophobicContact CG1-CG 4.04Å; I118-P146 HydrophobicContact CG2-CG 4.19Å; T122-P146 HydrophobicContact CG2-CB 4.01Å; Y123-P146 CarbonylContact O-C 3.52Å; Y123-P146 WeakPolarHBondContact O-CA 3.42Å
147L98.1Very high97.3Very high21 Ų2156.4 Ų56.411%0.1130%0.302CS..  trans-77.5129.6171.2-91.663.1000109.7V75 Y123 K125 E152 I153V75-L147 HydrophobicContact CG1-CD1 4.29Å; V75-L147 HydrophobicContact CG1-CD2 3.8Å; Y123-L147 PolarHBondContact O-N 3.06Å; K125-L147 HydrophobicContact CB-CD1 3.92Å; L147-E152 HydrophobicContact CD2-CB 3.72Å; L147-E152 HydrophobicContact CG-CB 3.97Å; L147-I153 HydrophobicContact CD2-CD1 4.38Å; L147-I153 HydrophobicContact CD2-CG1 3.59Å
148D95.8Very high97.5Very high145 Ų14560.9 Ų60.978%0.77533%0.326SS*.SBendtrans-91.3-30.6172.7-55.2-64.8000111.2R145R145-D148 IonicContact NH1-OD2 2.68Å; R145-D148 PolarHBondContact NH1-OD2 2.9Å; R145-D148 VanDerWaalsContact NH1-OD2 3.14Å
149D97.8Very high97.5Very high79 Ų7962.5 Ų62.542%0.42233%0.331SS..  trans-122126.9174.5-176.41.6000110.3N151 E152D149-N151 PolarHBondContact O-N 2.68Å; D149-N151 WeakPolarHBondContact OD1-CB 3.16Å; D149-N151 PolarHBondContact OD1-N 2.88Å; D149-N151 PolarHBondContact OD1-ND2 2.82Å; D149-N151 WeakPolarHBondContact OD2-CB 3.25Å; D149-N151 PolarHBondContact OD2-ND2 2.84Å; D149-E152 WeakPolarHBondContact O-CB 3.26Å; D149-E152 WeakPolarHBondContact O-CG 3.45Å; D149-E152 PolarHBondContact O-N 3.38Å
150M97.7Very high97.5Very high98 Ų9862.8 Ų62.848%0.48333%0.333SS..THydrogen-bonded Turntrans-70.7-16.2178.6-63.5-60.4-74.700113Y123 E152 I153Y123-M150 HydrophobicContact CD2-CE 3.52Å; Y123-M150 HydrophobicContact CD2-SD 4.25Å; Y123-M150 HydrophobicContact CE2-CE 3.7Å; Y123-M150 HydrophobicContact CG-CE 4Å; Y123-M150 HydrophobicContact CG-SD 4.45Å; M150-E152 PolarHBondContact O-N 3.38Å; M150-I153 HydrophobicContact CE-CD1 3.32Å; M150-I153 WeakPolarHBondContact O-CB 3.46Å; M150-I153 PolarHBondContact O-N 3.46Å; M150-I153 VanDerWaalsContact O-N 3.1Å; M150-I153 HydrophobicContact SD-CD1 4.15Å
151N98.4Very high97.5Very high106 Ų10665.6 Ų65.657%0.56735%0.35SS*.Hα-helixtrans-61.4-22.5171.2-64.8-49.7000112.5D149 I153 T154 S155D149-N151 PolarHBondContact O-N 2.68Å; D149-N151 WeakPolarHBondContact OD1-CB 3.16Å; D149-N151 PolarHBondContact OD1-N 2.88Å; D149-N151 PolarHBondContact OD1-ND2 2.82Å; D149-N151 WeakPolarHBondContact OD2-CB 3.25Å; D149-N151 PolarHBondContact OD2-ND2 2.84Å; N151-I153 PolarHBondContact O-N 3.1Å; N151-T154 PolarHBondContact O-N 3.2Å; N151-T154 VanDerWaalsContact O-N 3.17Å; N151-S155 PolarHBondContact O-N 3.38Å
152E98.4Very high97.5Very high50 Ų5071.2 Ų71.223%0.23438%0.375CS..Hα-helixtrans-60.7-26.8174.5-65.6-165.4-106.500112.5R145 L147 D149 M150 H156R145-E152 IonicContact CZ-OE1 2.73Å; R145-E152 IonicContact CZ-OE2 2.56Å; R145-E152 IonicContact NH1-OE1 2.95Å; R145-E152 PolarHBondContact NH1-OE1 3.48Å; R145-E152 IonicContact NH2-OE1 3.52Å; R145-E152 PolarHBondContact NH2-OE1 2.75Å; R145-E152 IonicContact NH2-OE2 3.33Å; R145-E152 PolarHBondContact NH2-OE2 3.45Å; L147-E152 HydrophobicContact CD2-CB 3.72Å; L147-E152 HydrophobicContact CG-CB 3.97Å; D149-E152 WeakPolarHBondContact O-CB 3.26Å; D149-E152 WeakPolarHBondContact O-CG 3.45Å; D149-E152 PolarHBondContact O-N 3.38Å; M150-E152 PolarHBondContact O-N 3.38Å; E152-H156 VanDerWaalsContact O-CB 3.25Å; E152-H156 WeakPolarHBondContact O-CB 3.41Å; E152-H156 PolarHBondContact O-N 2.84Å
153I98.5Very high97.5Very high31 Ų3166.9 Ų66.916%0.15936%0.359CS..Hα-helixtrans-64.2-52174.1-60177.8000109.9V75 Y123 L147 M150 N151 H156 M157V75-I153 HydrophobicContact CG1-CB 4.49Å; V75-I153 HydrophobicContact CG1-CG1 3.93Å; Y123-I153 HydrophobicContact CD1-CD1 3.53Å; Y123-I153 HydrophobicContact CD1-CG1 4.25Å; Y123-I153 HydrophobicContact CD2-CD1 4.45Å; Y123-I153 HydrophobicContact CE1-CD1 3.59Å; Y123-I153 HydrophobicContact CE2-CD1 4.49Å; Y123-I153 HydrophobicContact CG-CD1 3.98Å; L147-I153 HydrophobicContact CD2-CD1 4.38Å; L147-I153 HydrophobicContact CD2-CG1 3.59Å; M150-I153 HydrophobicContact CE-CD1 3.32Å; M150-I153 WeakPolarHBondContact O-CB 3.46Å; M150-I153 PolarHBondContact O-N 3.46Å; M150-I153 VanDerWaalsContact O-N 3.1Å; M150-I153 HydrophobicContact SD-CD1 4.15Å; N151-I153 PolarHBondContact O-N 3.1Å; I153-H156 PolarHBondContact O-N 3.24Å; I153-M157 HydrophobicContact CG2-CE 3.74Å; I153-M157 WeakPolarHBondContact O-CG 3.3Å; I153-M157 PolarHBondContact O-N 3.21Å
154T98.4Very high97.5Very high82 Ų8265.5 Ų65.550%0.50335%0.348SS..Hα-helixtrans-64.3-42.1179-52.60000111N151 H156 M157 L158N151-T154 PolarHBondContact O-N 3.2Å; N151-T154 VanDerWaalsContact O-N 3.17Å; T154-H156 VanDerWaalsContact C-N 3.35Å; T154-H156 PolarHBondContact O-N 2.79Å; T154-M157 PolarHBondContact O-N 3.1Å; T154-L158 WeakPolarHBondContact O-CG 3.41Å; T154-L158 PolarHBondContact O-N 2.9Å; T154-L158 VanDerWaalsContact O-N 3.11Å
155S98.4Very high97.3Very high55 Ų5568.1 Ų68.139%0.38536%0.363SS..Hα-helixtrans-57.6-48.2175-167.20000111N151 M157 L158 E159N151-S155 PolarHBondContact O-N 3.38Å; S155-M157 VanDerWaalsContact C-N 3.34Å; S155-M157 PolarHBondContact O-N 2.86Å; S155-L158 PolarHBondContact O-N 2.69Å; S155-L158 VanDerWaalsContact O-N 3.11Å; S155-E159 WeakPolarHBondContact O-CB 3.35Å; S155-E159 VanDerWaalsContact O-CG 3.31Å; S155-E159 WeakPolarHBondContact O-CG 3.46Å; S155-E159 PolarHBondContact O-N 2.81Å; S155-E159 PolarHBondContact OG-OE1 2.92Å
156H98.8Very high97Very high8 Ų869.3 Ų69.34%0.03738%0.375CS..Hα-helixtrans-61.1-41.2178.8-172.777.9000112.1C47 T73 V75 E152 I153 T154 L158 E159 V160C47-H156 PolarHBondContact O-NE2 3.2Å; C47-H156 VanDerWaalsContact O-NE2 3.09Å; T73-H156 PolarHBondContact O-CE1 2.93Å; T73-H156 PolarHBondContact OG1-CE1 2.84Å; V75-H156 HydrophobicContact CB-CB 3.96Å; V75-H156 HydrophobicContact CG2-CB 3.61Å; E152-H156 VanDerWaalsContact O-CB 3.25Å; E152-H156 WeakPolarHBondContact O-CB 3.41Å; E152-H156 PolarHBondContact O-N 2.84Å; I153-H156 PolarHBondContact O-N 3.24Å; T154-H156 VanDerWaalsContact C-N 3.35Å; T154-H156 PolarHBondContact O-N 2.79Å; H156-L158 VanDerWaalsContact C-N 3.3Å; H156-L158 PolarHBondContact O-N 3.02Å; H156-E159 PolarHBondContact O-N 3.27Å; H156-V160 VanDerWaalsContact O-CG2 3.25Å; H156-V160 WeakPolarHBondContact O-CG2 3.46Å; H156-V160 PolarHBondContact O-N 2.89Å
157M98.6Very high96.6Very high112 Ų11270.1 Ų70.155%0.55238%0.376SS*.Hα-helixtrans-59.1-41.5174.9-69176.8-179.700112.2I153 T154 S155 V161I153-M157 HydrophobicContact CG2-CE 3.74Å; I153-M157 WeakPolarHBondContact O-CG 3.3Å; I153-M157 PolarHBondContact O-N 3.21Å; T154-M157 PolarHBondContact O-N 3.1Å; S155-M157 VanDerWaalsContact C-N 3.34Å; S155-M157 PolarHBondContact O-N 2.86Å; M157-V161 WeakPolarHBondContact O-CG2 3.37Å; M157-V161 PolarHBondContact O-N 3.23Å
158L98.5Very high96Very high117 Ų11772.3 Ų72.361%0.61339%0.393SS*.Hα-helixtrans-69.9-40.9176.4-63.5174.3000111.9T154 S155 H156 V160 V161 Q162T154-L158 WeakPolarHBondContact O-CG 3.41Å; T154-L158 PolarHBondContact O-N 2.9Å; T154-L158 VanDerWaalsContact O-N 3.11Å; S155-L158 PolarHBondContact O-N 2.69Å; S155-L158 VanDerWaalsContact O-N 3.11Å; H156-L158 VanDerWaalsContact C-N 3.3Å; H156-L158 PolarHBondContact O-N 3.02Å; L158-V160 PolarHBondContact O-N 2.9Å; L158-V161 PolarHBondContact O-N 2.75Å; L158-Q162 WeakPolarHBondContact O-CB 3.39Å; L158-Q162 PolarHBondContact O-N 3.41Å
159E97.6Very high95.2Very high62 Ų6271.3 Ų71.329%0.2938%0.382SS..Hα-helixtrans-58.5-45.2175.7-75.5164.4-148.200111.4P46 K125 S155 H156 Q162 A163P46-E159 HydrophobicContact CB-CB 4.21Å; P46-E159 HydrophobicContact CG-CB 4.1Å; K125-E159 IonicContact NZ-OE2 2.62Å; K125-E159 PolarHBondContact NZ-OE2 3.4Å; S155-E159 WeakPolarHBondContact O-CB 3.35Å; S155-E159 VanDerWaalsContact O-CG 3.31Å; S155-E159 WeakPolarHBondContact O-CG 3.46Å; S155-E159 PolarHBondContact O-N 2.81Å; S155-E159 PolarHBondContact OG-OE1 2.92Å; H156-E159 PolarHBondContact O-N 3.27Å; E159-Q162 PolarHBondContact O-N 3.35Å; E159-A163 WeakPolarHBondContact O-CB 3.43Å; E159-A163 PolarHBondContact O-N 2.79Å
160V98.1Very high93.4Very high6 Ų673 Ų734%0.03640%0.397CS..Hα-helixtrans-56.7-53175.6172.80000110.3P46 T48 H156 L158 Q162 A163 H164P46-V160 HydrophobicContact CB-CG2 4.02Å; T48-V160 HydrophobicContact CG2-CG1 4.25Å; H156-V160 VanDerWaalsContact O-CG2 3.25Å; H156-V160 WeakPolarHBondContact O-CG2 3.46Å; H156-V160 PolarHBondContact O-N 2.89Å; L158-V160 PolarHBondContact O-N 2.9Å; V160-Q162 PolarHBondContact O-N 3.26Å; V160-A163 PolarHBondContact O-N 3.01Å; V160-H164 WeakPolarHBondContact O-CB 3.48Å; V160-H164 PolarHBondContact O-CD2 3.45Å; V160-H164 PolarHBondContact O-N 2.86Å; V160-H164 VanDerWaalsContact O-N 3.07Å
161V97.2Very high91.3Very high95 Ų9576.3 Ų76.358%0.57641%0.412SS*.Hα-helixtrans-61.7-47.2-178175.40000110.6M157 L158 H164 V165M157-V161 WeakPolarHBondContact O-CG2 3.37Å; M157-V161 PolarHBondContact O-N 3.23Å; L158-V161 PolarHBondContact O-N 2.75Å; V161-H164 PolarHBondContact O-N 2.81Å; V161-V165 HydrophobicContact CG1-CG2 4.42Å; V161-V165 WeakPolarHBondContact O-CB 3.16Å; V161-V165 VanDerWaalsContact O-CG2 3.27Å; V161-V165 WeakPolarHBondContact O-CG2 3.45Å; V161-V165 PolarHBondContact O-N 3.32Å
162Q96.3Very high88.8Confident123 Ų12376.8 Ų76.858%0.57542%0.419SS*.Hα-helixtrans-61.2-50.1-179.3-176.9-177.414.400111.8L158 E159 V160 H164 V165 L166L158-Q162 WeakPolarHBondContact O-CB 3.39Å; L158-Q162 PolarHBondContact O-N 3.41Å; E159-Q162 PolarHBondContact O-N 3.35Å; V160-Q162 PolarHBondContact O-N 3.26Å; Q162-H164 VanDerWaalsContact C-N 3.34Å; Q162-H164 PolarHBondContact O-N 3.16Å; Q162-V165 PolarHBondContact O-N 2.99Å; Q162-L166 HydrophobicContact CG-CD1 3.9Å; Q162-L166 HydrophobicContact CG-CG 4.43Å; Q162-L166 WeakPolarHBondContact O-CG 3.44Å; Q162-L166 PolarHBondContact O-N 2.84Å
163A94.6Very high86.2Confident19 Ų1980.8 Ų80.816%0.15744%0.44CS..Hα-helixtrans-59.6-46.9-178.600000110.8P46 E159 V160 V165 L166 L167P46-A163 HydrophobicContact CG-CB 3.59Å; E159-A163 WeakPolarHBondContact O-CB 3.43Å; E159-A163 PolarHBondContact O-N 2.79Å; V160-A163 PolarHBondContact O-N 3.01Å; A163-V165 PolarHBondContact O-N 3.13Å; A163-L166 PolarHBondContact O-N 2.86Å; A163-L167 VanDerWaalsContact O-CB 3.3Å; A163-L167 WeakPolarHBondContact O-CB 3.44Å; A163-L167 VanDerWaalsContact O-CG 3.23Å; A163-L167 WeakPolarHBondContact O-CG 3.14Å; A163-L167 PolarHBondContact O-N 2.79Å
164H94.3Very high83.5Confident22 Ų2287.9 Ų87.910%0.10248%0.475CS..Hα-helixtrans-68.1-32.4179.7-78.3-94.9000112.9P46 I67 V160 V161 Q162 S168P46-H164 PolarHBondContact O-NE2 3.26Å; I67-H164 HydrophobicContact CD1-CB 4.04Å; I67-H164 WeakPolarHBondContact CD1-ND1 3.25Å; V160-H164 WeakPolarHBondContact O-CB 3.48Å; V160-H164 PolarHBondContact O-CD2 3.45Å; V160-H164 PolarHBondContact O-N 2.86Å; V160-H164 VanDerWaalsContact O-N 3.07Å; V161-H164 PolarHBondContact O-N 2.81Å; Q162-H164 VanDerWaalsContact C-N 3.34Å; Q162-H164 PolarHBondContact O-N 3.16Å; H164-S168 WeakPolarHBondContact O-CB 3.48Å; H164-S168 PolarHBondContact O-N 3.02Å; H164-S168 VanDerWaalsContact O-N 3.07Å; H164-S168 PolarHBondContact O-OG 2.95Å
165V93.3Very high80.8Confident71 Ų7192.1 Ų92.143%0.4349%0.491SS..Hα-helixtrans-69-38172.7168.70000112.1V161 Q162 A163 S168 K169V161-V165 HydrophobicContact CG1-CG2 4.42Å; V161-V165 WeakPolarHBondContact O-CB 3.16Å; V161-V165 VanDerWaalsContact O-CG2 3.27Å; V161-V165 WeakPolarHBondContact O-CG2 3.45Å; V161-V165 PolarHBondContact O-N 3.32Å; Q162-V165 PolarHBondContact O-N 2.99Å; A163-V165 PolarHBondContact O-N 3.13Å; V165-S168 PolarHBondContact O-OG 3.39Å; V165-K169 WeakPolarHBondContact O-CG 3.3Å
166L91.2Very high78.4Confident101 Ų10193.6 Ų93.653%0.52952%0.515SS..Hα-helixtrans-74.5-42.5-179.8-70175.7000112.1Q162 A163Q162-L166 HydrophobicContact CG-CD1 3.9Å; Q162-L166 HydrophobicContact CG-CG 4.43Å; Q162-L166 WeakPolarHBondContact O-CG 3.44Å; Q162-L166 PolarHBondContact O-N 2.84Å; A163-L166 PolarHBondContact O-N 2.86Å
167L89.6Confident75.4Confident70 Ų7096.8 Ų96.837%0.36655%0.55SS..Hα-helixtrans-79.1-22.2-177.3-64.3171.9000113.3V45 I67 A163V45-L167 HydrophobicContact CG1-CD1 4.13Å; V45-L167 HydrophobicContact CG2-CD1 4.05Å; I67-L167 HydrophobicContact CD1-CB 3.73Å; I67-L167 HydrophobicContact CG1-CB 3.76Å; I67-L167 HydrophobicContact CG2-CB 4.03Å; I67-L167 HydrophobicContact CG2-CD1 3.97Å; A163-L167 VanDerWaalsContact O-CB 3.3Å; A163-L167 WeakPolarHBondContact O-CB 3.44Å; A163-L167 VanDerWaalsContact O-CG 3.23Å; A163-L167 WeakPolarHBondContact O-CG 3.14Å; A163-L167 PolarHBondContact O-N 2.79Å
168S85.3Confident72.9Confident67 Ų6795.8 Ų95.847%0.46957%0.568SS.*SBendtrans-80-16.9175.558.20000113.7H164 V165H164-S168 WeakPolarHBondContact O-CB 3.48Å; H164-S168 PolarHBondContact O-N 3.02Å; H164-S168 VanDerWaalsContact O-N 3.07Å; H164-S168 PolarHBondContact O-OG 2.95Å; V165-S168 PolarHBondContact O-OG 3.39Å
169K78.4Confident70Confident123 Ų12393.8 Ų93.854%0.53558%0.576SS.*SBendtrans-68.5131.9171.7-72.5172.4-174.4179.10107.8V165 Q171V165-K169 WeakPolarHBondContact O-CG 3.3Å; K169-Q171 PolarHBondContact O-N 3.5Å
170P60Low67.5Low115 Ų11594.4 Ų94.475%0.74760%0.599SS**  trans-53.2117.4171.3-19.629.2000107.5T172P170-T172 PolarHBondContact O-N 2.96Å
171Q53.7Low64.6Low168 Ų168102.9 Ų102.979%0.78564%0.64SS**  trans-59.9103.1159.4-77.8-172.3-2400104.2K169 I173K169-Q171 PolarHBondContact O-N 3.5Å; Q171-I173 PolarHBondContact O-N 3.22Å
172T45.4Very low62.3Low116 Ų116104.9 Ų104.971%0.71265%0.648SS**  trans-58.396.5168.1-45.40000104.7P170 M174P170-T172 PolarHBondContact O-N 2.96Å; T172-M174 PolarHBondContact O-N 3.32Å
173I44.3Very low59.4Low134 Ų134105 Ų10569%0.68766%0.657SS**  trans-61.896.7171.5-63.3-175.2000104Q171 M175Q171-I173 PolarHBondContact O-N 3.22Å; I173-M175 HydrophobicContact CG2-CB 3.84Å; I173-M175 HydrophobicContact CG2-CG 3.67Å; I173-M175 PolarHBondContact O-N 2.86Å
174M42.4Very low56.7Low180 Ų180109 Ų10989%0.88768%0.684SS**  trans-70.670.8162.1-68.9-129.1-179.800106.6T172T172-M174 PolarHBondContact O-N 3.32Å
175M41.8Very low54.1Low170 Ų170116.2 Ų116.284%0.83772%0.72SS**  trans-82.4122.9159-99.8-163152.900106.9I173I173-M175 HydrophobicContact CG2-CB 3.84Å; I173-M175 HydrophobicContact CG2-CG 3.67Å; I173-M175 PolarHBondContact O-N 2.86Å
176G47.5Very low51.5Low86 Ų86119.5 Ų119.589%0.88774%0.739SS**  trans-57.7150.5-173.900000114.2
177G35.8Very low49.1Very low75 Ų75120.2 Ų120.277%0.77375%0.75SS**  trans17694171.500000108.5
178G46.1Very low46.8Very low91 Ų91125.1 Ų125.194%0.93878%0.776SS**  trans-54.3142.4174.700000111.6
179G36.2Very low44.5Very low76 Ų76127.1 Ų127.178%0.78479%0.79SS**  trans155.187.9177.700000109.7
180G45.7Very low42.7Very low74 Ų74132.5 Ų132.576%0.76381%0.807SS**  trans-58.3144.5-176.900000112.8
181M37.4Very low42Very low185 Ų185133.3 Ų133.391%0.91181%0.812SS**  trans-149.3111.5150.3-102.4159-170.300108.1T183M181-T183 PolarHBondContact O-N 3.35Å
182N48.4Very low41.2Very low136 Ų136128.5 Ų128.573%0.72781%0.808SS**  trans-47123.5168.41752.4000110.8S184N182-S184 PolarHBondContact OD1-N 3.01Å; N182-S184 VanDerWaalsContact OD1-N 3.08Å; N182-S184 PolarHBondContact OD1-OG 3.28Å
183T36.5Very low40.7Very low127 Ų127130.1 Ų130.178%0.77982%0.817SS**  trans-137.291151.1-20.30000108.1M181 M185M181-T183 PolarHBondContact O-N 3.35Å; T183-M185 PolarHBondContact O-N 3.43Å; T183-M185 VanDerWaalsContact O-N 3.11Å
184S38.2Very low40.3Very low102 Ų102127.3 Ų127.371%0.71382%0.822SS**  trans-53.5109.5166-66.40000109.8N182N182-S184 PolarHBondContact OD1-N 3.01Å; N182-S184 VanDerWaalsContact OD1-N 3.08Å; N182-S184 PolarHBondContact OD1-OG 3.28Å
185M38.2Very low39.7Very low174 Ų174122.8 Ų122.886%0.85782%0.821SS**  trans-120.4102.2160.1-80.8-87.8-103.800107.1T183T183-M185 PolarHBondContact O-N 3.43Å; T183-M185 VanDerWaalsContact O-N 3.11Å
186V39.6Very low39.5Very low139 Ų139122.4 Ų122.484%0.84282%0.822SS**  trans-41.8129.5174.8-105.40000112.9
187P41.2Very low38.9Very low116 Ų116127.3 Ų127.375%0.75382%0.824SS**PPolyproline II helixtrans-79.9127.5166.630.6-27.8000109.6S189P187-S189 PolarHBondContact O-N 2.9Å
188L40.4Very low38.7Very low173 Ų173127.5 Ų127.591%0.90683%0.827SS**PPolyproline II helixtrans-61.9118.2176.6-165.672.5000110R190L188-R190 PolarHBondContact O-N 3.11Å
189S37.1Very low38.7Very low110 Ų110127.3 Ų127.377%0.76982%0.824SS**PPolyproline II helixtrans-67.7124.7178.4-42.70000111P187P187-S189 PolarHBondContact O-N 2.9Å
190R41.6Very low38.5Very low235 Ų235126.6 Ų126.689%0.88782%0.817SS**  trans-105.6126.6155.4-84-179.165-168.5-1108.3L188L188-R190 PolarHBondContact O-N 3.11Å
191P45.5Very low38.2Very low132 Ų132133.8 Ų133.886%0.85782%0.823SS**  trans-82132.5-178.8-5.222.5000112
192G35.2Very low38.3Very low67 Ų67131.6 Ų131.669%0.69183%0.826SS**  108127.6125.400000118.9
193V35.1Very low38.1Very low150 Ų150128 Ų12891%0.90982%0.821SS**  trans88.1106.8162.3-160.80000114
194G35.6Very low38.3Very low76 Ų76126 Ų12678%0.78482%0.817SS**  cis117.394.824.700000108.3
195G30.8Very low38.4Very low84 Ų84129 Ų12987%0.86683%0.825SS**  trans171.789.5178.200000113.3
196N37.8Very low38.6Very low163 Ų163125.1 Ų125.187%0.87281%0.808SS**  trans-87.2122.9176.9-175.480.5000110
197M34.4Very low39Very low188 Ų188122.5 Ų122.593%0.92679%0.787SS**  trans-174.8133.6147.9-106-163.1-156.100112.3
198G32.7Very low39.2Very low80 Ų80122.8 Ų122.883%0.82579%0.792SS**  trans107.5104.5148.200000115.9
199G45.8Very low39.7Very low86 Ų86118.1 Ų118.189%0.88778%0.778SS**  trans-61.6150.2176.100000114
200G31.6Very low41.1Very low61 Ų61115.9 Ų115.963%0.62976%0.758SS**  trans-165.7103.3175.800000111.8
201Y39.1Very low42.8Very low226 Ų226108.1 Ų108.189%0.88675%0.751SS**  trans35.488.8146.6-53.1-84.1000117.9G203Y201-G203 VanDerWaalsContact C-N 3.32Å; Y201-G203 PolarHBondContact O-N 2.97Å
202S38.8Very low44.7Very low139 Ų139102.8 Ų102.897%0.97272%0.715SS**THydrogen-bonded Turntrans-67.189.7156-69.70000109.6
203G45.7Very low47.3Very low61 Ų61101.6 Ų101.663%0.62970%0.696SS**THydrogen-bonded Turntrans-163.3-3.6174.400000115.3Y201Y201-G203 VanDerWaalsContact C-N 3.32Å; Y201-G203 PolarHBondContact O-N 2.97Å
204A40.7Very low49.7Very low85 Ų8599.2 Ų99.270%0.70268%0.683SS**THydrogen-bonded Turntrans-87.2-4.2-171.600000115.1
205N38.8Very low52.3Low165 Ų16597.2 Ų97.288%0.88266%0.657SS**THydrogen-bonded Turntrans-96.9-1.3-171-80.7-11.7000115.5
206D43.5Very low55.2Low91 Ų9194.2 Ų94.249%0.48762%0.621SS.*SBendtrans-103.76.6-176.1-158.930.9000114.2S208D206-S208 VanDerWaalsContact C-N 3.31Å; D206-S208 PolarHBondContact O-N 2.9Å
207M47.1Very low57.8Low85 Ų8586.7 Ų86.742%0.41958%0.581SS.*SBendtrans-82.8-0.1-173.8-81.4-88.6156.300114.6N217M207-N217 HydrophobicContact CE-CB 4.16Å; M207-N217 PolarHBondContact O-ND2 2.96Å; M207-N217 HydrophobicContact SD-CB 3.88Å
208S46.3Very low60.3Low121 Ų12182.1 Ų82.185%0.84656%0.557SS**SBendtrans-130.42.5-171.7-48.90000115.2D206D206-S208 VanDerWaalsContact C-N 3.31Å; D206-S208 PolarHBondContact O-N 2.9Å
209A50.4Low63.2Low75 Ų7578.3 Ų78.362%0.6252%0.518SS*.SBendtrans-98.7-18.8-170.600000115.2
210N65.9Low65.4Low64 Ų6474.3 Ų74.334%0.34248%0.476SS..SBendtrans-1078.3-164.7-64-17.7000115.5L212N210-L212 HydrophobicContact CB-CD1 4.38Å; N210-L212 HydrophobicContact CB-CG 4.34Å; N210-L212 PolarHBondContact O-N 3.31Å
211G77.4Confident68.2Low71 Ų7173.8 Ų73.873%0.73246%0.463SS*.SBendtrans68.23.8179.700000115.6
212L86.1Confident70.6Confident20 Ų2064.7 Ų64.711%0.10543%0.429CS..  trans-83.8143.4178.4-61.6177.7000111.5N210 Q216 N217 L220 F255 L256N210-L212 HydrophobicContact CB-CD1 4.38Å; N210-L212 HydrophobicContact CB-CG 4.34Å; N210-L212 PolarHBondContact O-N 3.31Å; L212-Q216 HydrophobicContact CB-CB 4.04Å; L212-Q216 HydrophobicContact CD2-CB 4.37Å; L212-N217 WeakPolarHBondContact CB-OD1 3.33Å; L212-N217 WeakPolarHBondContact CD1-OD1 3.43Å; L212-L220 HydrophobicContact CD1-CD2 3.38Å; L212-F255 HydrophobicContact CD2-CD1 4.33Å; L212-F255 HydrophobicContact CD2-CE1 3.61Å; L212-L256 HydrophobicContact CD1-CD2 3.87Å; L212-L256 HydrophobicContact CD2-CD2 3.94Å
213S89.6Confident73.1Confident42 Ų4258.1 Ų58.129%0.29438%0.384SS..  trans-62.9159.117067.10000111.4S215 Q216 N217S213-S215 PolarHBondContact O-N 3.42Å; S213-S215 PolarHBondContact OG-OG 2.81Å; S213-Q216 PolarHBondContact O-N 2.86Å; S213-Q216 VanDerWaalsContact O-N 3.1Å; S213-Q216 WeakPolarHBondContact OG-CB 3.42Å; S213-Q216 VanDerWaalsContact OG-CG 3.26Å; S213-Q216 WeakPolarHBondContact OG-CG 3.34Å; S213-Q216 PolarHBondContact OG-N 3.14Å; S213-Q216 PolarHBondContact OG-OE1 2.78Å; S213-N217 PolarHBondContact O-N 3Å
214P86.3Confident75.2Confident100 Ų10058.5 Ų58.565%0.64937%0.366SS*.Hα-helixtrans-56-36.9179.4-27.735.8000113.9Q218P214-Q218 WeakPolarHBondContact O-CB 3.33Å; P214-Q218 VanDerWaalsContact O-CG 3.23Å; P214-Q218 WeakPolarHBondContact O-CG 3.43Å; P214-Q218 PolarHBondContact O-N 3.38Å
215S89.2Confident77.3Confident34 Ų3457.9 Ų57.924%0.23836%0.357CS..Hα-helixtrans-69.4-41.7176.948.90000112.2S213 Q218 V219 M244S213-S215 PolarHBondContact O-N 3.42Å; S213-S215 PolarHBondContact OG-OG 2.81Å; S215-Q218 PolarHBondContact O-N 3.23Å; S215-V219 WeakPolarHBondContact O-CG2 3.34Å; S215-V219 PolarHBondContact O-N 3.34Å; S215-M244 VanDerWaalsContact CB-CE 3.45Å
216Q92.4Very high79.6Confident21 Ų2150.9 Ų50.910%0.09832%0.32CS..Hα-helixtrans-64.7-42.7174.9-72.2159.2-23.500111.6L212 S213 Q218 V219 L220 A252 F255 L256L212-Q216 HydrophobicContact CB-CB 4.04Å; L212-Q216 HydrophobicContact CD2-CB 4.37Å; S213-Q216 PolarHBondContact O-N 2.86Å; S213-Q216 VanDerWaalsContact O-N 3.1Å; S213-Q216 WeakPolarHBondContact OG-CB 3.42Å; S213-Q216 VanDerWaalsContact OG-CG 3.26Å; S213-Q216 WeakPolarHBondContact OG-CG 3.34Å; S213-Q216 PolarHBondContact OG-N 3.14Å; S213-Q216 PolarHBondContact OG-OE1 2.78Å; Q216-Q218 VanDerWaalsContact C-N 3.34Å; Q216-Q218 PolarHBondContact O-N 2.88Å; Q216-V219 PolarHBondContact O-N 3.38Å; Q216-L220 VanDerWaalsContact O-CB 3.3Å; Q216-L220 WeakPolarHBondContact O-CB 3.26Å; Q216-L220 PolarHBondContact O-N 2.62Å; Q216-A252 HydrophobicContact CG-CB 4Å; Q216-F255 HydrophobicContact CG-CD1 4.16Å; Q216-L256 HydrophobicContact CB-CD2 4.42Å
217N90.9Very high81.3Confident6 Ų652.3 Ų52.33%0.03233%0.334CS..Hα-helixtrans-62.9-39.4175.5-95.3-21.9000112.2M207 L212 S213 S221M207-N217 HydrophobicContact CE-CB 4.16Å; M207-N217 PolarHBondContact O-ND2 2.96Å; M207-N217 HydrophobicContact SD-CB 3.88Å; L212-N217 WeakPolarHBondContact CB-OD1 3.33Å; L212-N217 WeakPolarHBondContact CD1-OD1 3.43Å; S213-N217 PolarHBondContact O-N 3Å; N217-S221 VanDerWaalsContact O-CB 3.25Å; N217-S221 WeakPolarHBondContact O-CB 3.23Å; N217-S221 PolarHBondContact O-N 3Å; N217-S221 PolarHBondContact O-OG 3.46Å
218Q88.9Confident83.1Confident92 Ų9252.8 Ų52.843%0.4334%0.339SS..Hα-helixtrans-63.9-44.4175.3-78.2175.8-8.700112.2P214 S215 Q216 L222 L241 M244P214-Q218 WeakPolarHBondContact O-CB 3.33Å; P214-Q218 VanDerWaalsContact O-CG 3.23Å; P214-Q218 WeakPolarHBondContact O-CG 3.43Å; P214-Q218 PolarHBondContact O-N 3.38Å; S215-Q218 PolarHBondContact O-N 3.23Å; Q216-Q218 VanDerWaalsContact C-N 3.34Å; Q216-Q218 PolarHBondContact O-N 2.88Å; Q218-L222 PolarHBondContact O-N 3.31Å; Q218-L241 HydrophobicContact CB-CD2 4.24Å; Q218-M244 HydrophobicContact CB-CE 4.5Å
219V91.8Very high84.7Confident0 Ų050.7 Ų50.70%033%0.329CS..Hα-helixtrans-64.2-49176.4172.10000110.6S215 Q216 S221 L222 I223 L237 L241 M244 A252 V253 L256S215-V219 WeakPolarHBondContact O-CG2 3.34Å; S215-V219 PolarHBondContact O-N 3.34Å; Q216-V219 PolarHBondContact O-N 3.38Å; V219-S221 PolarHBondContact O-N 2.84Å; V219-L222 PolarHBondContact O-N 3.04Å; V219-I223 HydrophobicContact CG1-CD1 3.74Å; V219-I223 HydrophobicContact CG1-CG1 4.47Å; V219-I223 WeakPolarHBondContact O-CG1 3.33Å; V219-I223 PolarHBondContact O-N 3.22Å; V219-L237 HydrophobicContact CG1-CD1 4.34Å; V219-L237 HydrophobicContact CG1-CD2 4.5Å; V219-L241 HydrophobicContact CB-CD1 4.48Å; V219-L241 HydrophobicContact CG2-CD1 3.55Å; V219-M244 HydrophobicContact CG2-SD 4.19Å; V219-A252 HydrophobicContact CB-CB 4.33Å; V219-A252 HydrophobicContact CG2-CB 3.97Å; V219-V253 HydrophobicContact CG1-CG2 3.9Å; V219-L256 HydrophobicContact CB-CD1 4.18Å; V219-L256 HydrophobicContact CG1-CD1 3.84Å
220L92.4Very high86.3Confident1 Ų151.7 Ų51.71%0.00532%0.321CS..Hα-helixtrans-61.5-41.9179.8-177.960.4000112.3L212 Q216 L222 I223 R224 L256 H261 I262L212-L220 HydrophobicContact CD1-CD2 3.38Å; Q216-L220 VanDerWaalsContact O-CB 3.3Å; Q216-L220 WeakPolarHBondContact O-CB 3.26Å; Q216-L220 PolarHBondContact O-N 2.62Å; L220-L222 VanDerWaalsContact C-N 3.3Å; L220-L222 PolarHBondContact O-N 3.21Å; L220-I223 PolarHBondContact O-N 3.31Å; L220-R224 HydrophobicContact CD1-CG 4.35Å; L220-R224 HydrophobicContact CG-CG 4.49Å; L220-R224 WeakPolarHBondContact O-CB 3.48Å; L220-R224 WeakPolarHBondContact O-CG 3.43Å; L220-R224 PolarHBondContact O-N 3.03Å; L220-L256 HydrophobicContact CB-CD1 3.91Å; L220-L256 HydrophobicContact CB-CD2 4.15Å; L220-L256 HydrophobicContact CD1-CD2 4.47Å; L220-L256 HydrophobicContact CD2-CD2 4.21Å; L220-H261 HydrophobicContact CD1-CB 4.03Å; L220-H261 HydrophobicContact CD2-CB 4.4Å; L220-I262 HydrophobicContact CD1-CG2 3.68Å
221S89.8Confident87.4Confident51 Ų5149 Ų4936%0.35731%0.308SS..Hα-helixtrans-60.8-40.8177.8-61.30000111.7N217 V219 S225N217-S221 VanDerWaalsContact O-CB 3.25Å; N217-S221 WeakPolarHBondContact O-CB 3.23Å; N217-S221 PolarHBondContact O-N 3Å; N217-S221 PolarHBondContact O-OG 3.46Å; V219-S221 PolarHBondContact O-N 2.84Å; S221-S225 WeakPolarHBondContact O-CB 3.42Å; S221-S225 PolarHBondContact O-N 2.84Å; S221-S225 PolarHBondContact O-OG 3.28Å
222L90.8Very high88.1Confident34 Ų3445.9 Ų45.918%0.17827%0.274CS..Hα-helixtrans-67.3-42.8176.7-80.3172.7000112.3Q218 V219 L220 S225 C226 L237 R240 L241Q218-L222 PolarHBondContact O-N 3.31Å; V219-L222 PolarHBondContact O-N 3.04Å; L220-L222 VanDerWaalsContact C-N 3.3Å; L220-L222 PolarHBondContact O-N 3.21Å; L222-S225 WeakPolarHBondContact CA-OG 3.34Å; L222-S225 PolarHBondContact O-N 3.24Å; L222-S225 PolarHBondContact O-OG 3.44Å; L222-C226 PolarHBondContact O-N 2.93Å; L222-L237 HydrophobicContact CB-CD2 3.9Å; L222-L237 HydrophobicContact CD1-CD2 4.32Å; L222-R240 HydrophobicContact CD1-CB 4Å; L222-R240 HydrophobicContact CD2-CB 4.36Å; L222-L241 HydrophobicContact CD1-CD1 3.84Å; L222-L241 HydrophobicContact CD1-CD2 3.45Å; L222-L241 VanDerWaalsContact CD1-CD2 3.45Å; L222-L241 HydrophobicContact CD1-CG 3.39Å
223I91.2Very high88.5Confident2 Ų245.6 Ų45.61%0.0127%0.274CS..Hα-helixtrans-61.7-44176.7-63.9168.6000110.7V219 L220 S225 C226 I232 L237 I262 F271V219-I223 HydrophobicContact CG1-CD1 3.74Å; V219-I223 HydrophobicContact CG1-CG1 4.47Å; V219-I223 WeakPolarHBondContact O-CG1 3.33Å; V219-I223 PolarHBondContact O-N 3.22Å; L220-I223 PolarHBondContact O-N 3.31Å; I223-S225 VanDerWaalsContact C-N 3.33Å; I223-S225 PolarHBondContact O-N 2.91Å; I223-C226 WeakPolarHBondContact O-CB 3.33Å; I223-C226 PolarHBondContact O-N 2.95Å; I223-I232 HydrophobicContact CB-CG2 4.1Å; I223-I232 HydrophobicContact CG1-CG2 3.54Å; I223-I232 HydrophobicContact CG2-CG2 4.31Å; I223-L237 HydrophobicContact CD1-CD1 4.31Å; I223-L237 HydrophobicContact CG1-CD1 4.28Å; I223-L237 HydrophobicContact CG1-CD2 4.09Å; I223-I262 HydrophobicContact CB-CG2 4.46Å; I223-I262 HydrophobicContact CD1-CD1 3.72Å; I223-I262 HydrophobicContact CD1-CG2 3.91Å; I223-I262 HydrophobicContact CG2-CG2 3.91Å; I223-F271 HydrophobicContact CD1-CB 4.24Å; I223-F271 HydrophobicContact CG2-CB 4.49Å
224R89.8Confident88.5Confident68 Ų6844.1 Ų44.126%0.25726%0.263SS..Hα-helixtrans-62.4-38.4175.7-77177.4173.7169.7-2.4112.8L220 C226 S273 D275L220-R224 HydrophobicContact CD1-CG 4.35Å; L220-R224 HydrophobicContact CG-CG 4.49Å; L220-R224 WeakPolarHBondContact O-CB 3.48Å; L220-R224 WeakPolarHBondContact O-CG 3.43Å; L220-R224 PolarHBondContact O-N 3.03Å; R224-C226 PolarHBondContact O-N 3.28Å; R224-S273 WeakPolarHBondContact CG-OG 3.34Å; R224-D275 IonicContact CZ-OD2 2.78Å; R224-D275 IonicContact NE-OD2 3.51Å; R224-D275 IonicContact NH2-OD2 3.46Å; R224-D275 PolarHBondContact NH2-OD2 3.3Å
225S85.4Confident88.7Confident73 Ų7345 Ų4551%0.5126%0.259SS..THydrogen-bonded Turntrans-77.7-2.8-17972.80000114.6S221 L222 I223 P227S221-S225 WeakPolarHBondContact O-CB 3.42Å; S221-S225 PolarHBondContact O-N 2.84Å; S221-S225 PolarHBondContact O-OG 3.28Å; L222-S225 WeakPolarHBondContact CA-OG 3.34Å; L222-S225 PolarHBondContact O-N 3.24Å; L222-S225 PolarHBondContact O-OG 3.44Å; I223-S225 VanDerWaalsContact C-N 3.33Å; I223-S225 PolarHBondContact O-N 2.91Å; S225-P227 WeakPolarHBondContact O-CD 3.36Å
226C86.2Confident88.7Confident18 Ų1846.5 Ų46.512%0.12226%0.264CS..  trans-78.7116.8-179.9-176.40000110.4L222 I223 R224 D228 I232L222-C226 PolarHBondContact O-N 2.93Å; I223-C226 WeakPolarHBondContact O-CB 3.33Å; I223-C226 PolarHBondContact O-N 2.95Å; R224-C226 PolarHBondContact O-N 3.28Å; C226-D228 VanDerWaalsContact C-N 3.3Å; C226-I232 HydrophobicContact CB-CB 4.04Å
227P80.3Confident88.7Confident120 Ų12045.5 Ų45.578%0.77926%0.259SS*.  trans-81.5-10.7179.834.5-35.6000112.9S225S225-P227 WeakPolarHBondContact O-CD 3.36Å
228D84.8Confident88.6Confident96 Ų9648 Ų4851%0.51327%0.27SS..  trans-72132.8-173-62.5-45.6000110.8C226 Q230 G231C226-D228 VanDerWaalsContact C-N 3.3Å; D228-Q230 PolarHBondContact O-N 3.13Å; D228-Q230 VanDerWaalsContact O-N 3.13Å; D228-G231 PolarHBondContact O-N 2.82Å
229A78.6Confident88.6Confident76 Ų7649.7 Ų49.763%0.62828%0.278SS*.THydrogen-bonded Turntrans-58.9-30.4-178.200000112.7G231A229-G231 VanDerWaalsContact C-N 3.3Å
230Q84.3Confident88.5Confident97 Ų9757.6 Ų57.645%0.45331%0.307SS..THydrogen-bonded Turntrans-79.4-8.8179.1-55.4-58.3-22.100113.4D228 T265 I266D228-Q230 PolarHBondContact O-N 3.13Å; D228-Q230 VanDerWaalsContact O-N 3.13Å; Q230-T265 WeakPolarHBondContact O-CB 3.16Å; Q230-T265 PolarHBondContact O-OG1 3.42Å; Q230-I266 HydrophobicContact CB-CD1 4.14Å; Q230-I266 HydrophobicContact CG-CD1 4.4Å
231G88.8Confident88.3Confident7 Ų758.6 Ų58.67%0.07231%0.313CS..  trans79.7-172.9-172.900000113D228 A229 F271D228-G231 PolarHBondContact O-N 2.82Å; A229-G231 VanDerWaalsContact C-N 3.3Å; G231-F271 CarbonylContact C-O 3.49Å; G231-F271 VanDerWaalsContact CA-O 3.24Å; G231-F271 WeakPolarHBondContact CA-O 3.3Å
232I93.1Very high87.9Confident6 Ų660.8 Ų60.83%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-103.1138.8-177.7-169.2167.9000110.9I223 C226 D236 L237 F271I223-I232 HydrophobicContact CB-CG2 4.1Å; I223-I232 HydrophobicContact CG1-CG2 3.54Å; I223-I232 HydrophobicContact CG2-CG2 4.31Å; C226-I232 HydrophobicContact CB-CB 4.04Å; I232-D236 HydrophobicContact CD1-CB 4.27Å; I232-D236 HydrophobicContact CG1-CB 3.77Å; I232-L237 HydrophobicContact CD1-CD2 3.79Å; I232-L237 HydrophobicContact CD1-CG 4.07Å; I232-L237 HydrophobicContact CG1-CD2 4.36Å; I232-L237 HydrophobicContact CG1-CG 4.14Å; I232-L237 HydrophobicContact CG2-CD1 4.3Å; I232-L237 HydrophobicContact CG2-CD2 4.12Å; I232-L237 HydrophobicContact CG2-CG 4.1Å; I232-F271 PolarHBondContact N-O 2.87Å; I232-F271 PolarHBondContact O-N 3.36Å
233S93.3Very high87.6Confident13 Ų1363.2 Ų63.29%0.09136%0.361CS..EExtended strand (participates in β ladder)trans-81.6155.5178.976.70000113.2Q235 D236 L237 D269S233-Q235 PolarHBondContact O-N 3Å; S233-Q235 PolarHBondContact OG-N 3.37Å; S233-D236 PolarHBondContact O-N 3.25Å; S233-D236 VanDerWaalsContact O-N 3.14Å; S233-D236 WeakPolarHBondContact OG-CB 3.45Å; S233-D236 PolarHBondContact OG-N 2.9Å; S233-D236 PolarHBondContact OG-OD2 2.98Å; S233-L237 PolarHBondContact O-N 3.36Å; S233-D269 CarbonylContact C-O 3.42Å; S233-D269 WeakPolarHBondContact CA-O 3.39Å
234T91.3Very high87.5Confident12 Ų1264 Ų647%0.07437%0.365CS..Hα-helixtrans-52.7-36.4170.3-53.60000111.8K238 L246 K250 D269 F271T234-K238 PolarHBondContact O-N 2.63Å; T234-L246 HydrophobicContact CG2-CD1 4.08Å; T234-K250 HydrophobicContact CG2-CG 4.44Å; T234-D269 PolarHBondContact N-O 3.44Å; T234-D269 PolarHBondContact OG1-O 3.14Å; T234-D269 PolarHBondContact OG1-OD1 2.6Å; T234-F271 WeakPolarHBondContact OG1-CE2 3.46Å
235Q89.3Confident87.5Confident119 Ų11963.9 Ų63.956%0.55637%0.374SS*.Hα-helixtrans-71.1-40.6-179.7-174.965.3-1.500111.9S233 K238 Q239S233-Q235 PolarHBondContact O-N 3Å; S233-Q235 PolarHBondContact OG-N 3.37Å; Q235-K238 PolarHBondContact O-N 3.45Å; Q235-Q239 WeakPolarHBondContact O-CG 3.24Å; Q235-Q239 PolarHBondContact O-N 3.34Å
236D90.1Very high87.7Confident65 Ų6563.9 Ų63.935%0.34837%0.369SS..Hα-helixtrans-69.2-37.9177.1-64.9-41.7000111.6I232 S233 K238 Q239 R240I232-D236 HydrophobicContact CD1-CB 4.27Å; I232-D236 HydrophobicContact CG1-CB 3.77Å; S233-D236 PolarHBondContact O-N 3.25Å; S233-D236 VanDerWaalsContact O-N 3.14Å; S233-D236 WeakPolarHBondContact OG-CB 3.45Å; S233-D236 PolarHBondContact OG-N 2.9Å; S233-D236 PolarHBondContact OG-OD2 2.98Å; D236-K238 VanDerWaalsContact C-N 3.28Å; D236-K238 PolarHBondContact O-N 3.13Å; D236-Q239 PolarHBondContact O-N 3.11Å; D236-R240 WeakPolarHBondContact O-CG 3.37Å; D236-R240 PolarHBondContact O-N 2.93Å
237L91.2Very high87.9Confident0 Ų066.5 Ų66.50%039%0.391CS..Hα-helixtrans-57.1-44169.4-74.2171.3000110.7V219 L222 I223 I232 S233 Q239 R240 L241 I249 V253V219-L237 HydrophobicContact CG1-CD1 4.34Å; V219-L237 HydrophobicContact CG1-CD2 4.5Å; L222-L237 HydrophobicContact CB-CD2 3.9Å; L222-L237 HydrophobicContact CD1-CD2 4.32Å; I223-L237 HydrophobicContact CD1-CD1 4.31Å; I223-L237 HydrophobicContact CG1-CD1 4.28Å; I223-L237 HydrophobicContact CG1-CD2 4.09Å; I232-L237 HydrophobicContact CD1-CD2 3.79Å; I232-L237 HydrophobicContact CD1-CG 4.07Å; I232-L237 HydrophobicContact CG1-CD2 4.36Å; I232-L237 HydrophobicContact CG1-CG 4.14Å; I232-L237 HydrophobicContact CG2-CD1 4.3Å; I232-L237 HydrophobicContact CG2-CD2 4.12Å; I232-L237 HydrophobicContact CG2-CG 4.1Å; S233-L237 PolarHBondContact O-N 3.36Å; L237-Q239 PolarHBondContact O-N 3.37Å; L237-R240 PolarHBondContact O-N 3.49Å; L237-L241 VanDerWaalsContact O-CB 3.24Å; L237-L241 WeakPolarHBondContact O-CB 3.41Å; L237-L241 PolarHBondContact O-N 3.47Å; L237-I249 HydrophobicContact CB-CG2 4.1Å; L237-I249 HydrophobicContact CD1-CG2 4.44Å; L237-V253 HydrophobicContact CD1-CG2 4.04Å
238K89.4Confident88.3Confident57 Ų5763.7 Ų63.725%0.24837%0.372CS..Hα-helixtrans-66.6-35.2178.4178.858.7-164.4140.30113.3T234 Q235 D236 L241 S242 M244 L246 I249T234-K238 PolarHBondContact O-N 2.63Å; Q235-K238 PolarHBondContact O-N 3.45Å; D236-K238 VanDerWaalsContact C-N 3.28Å; D236-K238 PolarHBondContact O-N 3.13Å; K238-L241 CarbonylContact O-C 3.46Å; K238-S242 PolarHBondContact NZ-O 3.47Å; K238-M244 PolarHBondContact NZ-O 3.43Å; K238-L246 HydrophobicContact CB-CD1 4.22Å; K238-L246 HydrophobicContact CD-CB 4.42Å; K238-L246 HydrophobicContact CD-CD1 4.47Å; K238-L246 HydrophobicContact CG-CD1 4.31Å; K238-I249 HydrophobicContact CB-CD1 4.05Å; K238-I249 HydrophobicContact CD-CD1 3.75Å
239Q90Very high88.7Confident128 Ų12859.1 Ų59.160%0.59835%0.347SS*.Hα-helixtrans-68.5-43.7175.6-71.8-177.817.100111.9Q235 D236 L237Q235-Q239 WeakPolarHBondContact O-CG 3.24Å; Q235-Q239 PolarHBondContact O-N 3.34Å; D236-Q239 PolarHBondContact O-N 3.11Å; L237-Q239 PolarHBondContact O-N 3.37Å
240R87.9Confident89.4Confident166 Ų16661.1 Ų61.163%0.62634%0.342SS*.Hα-helixtrans-75.8-31.7-179.6-65.7-174-173.9-140.94.9112.8L222 D236 L237L222-R240 HydrophobicContact CD1-CB 4Å; L222-R240 HydrophobicContact CD2-CB 4.36Å; D236-R240 WeakPolarHBondContact O-CG 3.37Å; D236-R240 PolarHBondContact O-N 2.93Å; L237-R240 PolarHBondContact O-N 3.49Å
241L88.8Confident89.8Confident22 Ų2262.4 Ų62.412%0.11535%0.347CS..THydrogen-bonded Turntrans-100.955.7173.8-59.6173.1000110.8Q218 V219 L222 L237 K238 G243 M244 I249Q218-L241 HydrophobicContact CB-CD2 4.24Å; V219-L241 HydrophobicContact CB-CD1 4.48Å; V219-L241 HydrophobicContact CG2-CD1 3.55Å; L222-L241 HydrophobicContact CD1-CD1 3.84Å; L222-L241 HydrophobicContact CD1-CD2 3.45Å; L222-L241 VanDerWaalsContact CD1-CD2 3.45Å; L222-L241 HydrophobicContact CD1-CG 3.39Å; L237-L241 VanDerWaalsContact O-CB 3.24Å; L237-L241 WeakPolarHBondContact O-CB 3.41Å; L237-L241 PolarHBondContact O-N 3.47Å; K238-L241 CarbonylContact O-C 3.46Å; L241-G243 PolarHBondContact O-N 2.92Å; L241-G243 VanDerWaalsContact O-N 3.14Å; L241-M244 HydrophobicContact CB-CB 4.13Å; L241-M244 HydrophobicContact CD1-CE 4.35Å; L241-M244 HydrophobicContact CD1-SD 4.34Å; L241-M244 PolarHBondContact O-N 3.33Å; L241-I249 HydrophobicContact CB-CD1 4.11Å; L241-I249 HydrophobicContact CD1-CD1 4.47Å; L241-I249 HydrophobicContact CD1-CG1 4.4Å
242S82.6Confident90Very high98 Ų9862.1 Ų62.169%0.68535%0.345SS*.THydrogen-bonded Turntrans-57.2-31.9-17761.40000113.1K238 M244K238-S242 PolarHBondContact NZ-O 3.47Å; S242-M244 VanDerWaalsContact C-N 3.32Å; S242-M244 PolarHBondContact O-N 3.3Å
243G83.6Confident90.1Very high84 Ų8462.4 Ų62.487%0.86635%0.347SS*.THydrogen-bonded Turntrans-75.7-5.5176.700000116.2L241L241-G243 PolarHBondContact O-N 2.92Å; L241-G243 VanDerWaalsContact O-N 3.14Å
244M88.3Confident90.1Very high20 Ų2067.4 Ų67.410%0.09937%0.369CS..SBendtrans-109136.9-179.3-168.5178.9-64.200110.9S215 Q218 V219 K238 L241 S242 V248 I249S215-M244 VanDerWaalsContact CB-CE 3.45Å; Q218-M244 HydrophobicContact CB-CE 4.5Å; V219-M244 HydrophobicContact CG2-SD 4.19Å; K238-M244 PolarHBondContact NZ-O 3.43Å; L241-M244 HydrophobicContact CB-CB 4.13Å; L241-M244 HydrophobicContact CD1-CE 4.35Å; L241-M244 HydrophobicContact CD1-SD 4.34Å; L241-M244 PolarHBondContact O-N 3.33Å; S242-M244 VanDerWaalsContact C-N 3.32Å; S242-M244 PolarHBondContact O-N 3.3Å; M244-V248 HydrophobicContact CG-CB 3.77Å; M244-V248 HydrophobicContact CG-CG1 3.64Å; M244-V248 HydrophobicContact SD-CB 4.21Å; M244-V248 HydrophobicContact SD-CG1 3.62Å; M244-I249 HydrophobicContact CB-CD1 4.31Å; M244-I249 HydrophobicContact CB-CG1 4.12Å; M244-I249 HydrophobicContact CG-CG1 3.8Å; M244-I249 HydrophobicContact SD-CG1 3.52Å; M244-I249 VanDerWaalsContact SD-CG1 3.52Å
245S91.5Very high90.2Very high64 Ų6470 Ų7045%0.44838%0.379SS..  trans-68.6151.1177.1770000111.1A247 V248 I249S245-A247 PolarHBondContact O-N 3.22Å; S245-V248 PolarHBondContact O-N 3.06Å; S245-V248 VanDerWaalsContact O-N 3.11Å; S245-V248 VanDerWaalsContact OG-CG2 3.3Å; S245-V248 WeakPolarHBondContact OG-CG2 3.29Å; S245-V248 PolarHBondContact OG-N 3.02Å; S245-I249 PolarHBondContact O-N 3.29Å; S245-I249 VanDerWaalsContact O-N 3.11Å
246L88.4Confident90.5Very high74 Ų7464.3 Ų64.339%0.38735%0.352SS..Hα-helixtrans-59.3-34.3179.2-175.865.1000111.9T234 K238 I249 K250T234-L246 HydrophobicContact CG2-CD1 4.08Å; K238-L246 HydrophobicContact CB-CD1 4.22Å; K238-L246 HydrophobicContact CD-CB 4.42Å; K238-L246 HydrophobicContact CD-CD1 4.47Å; K238-L246 HydrophobicContact CG-CD1 4.31Å; L246-I249 PolarHBondContact O-N 2.9Å; L246-K250 WeakPolarHBondContact O-CG 3.48Å; L246-K250 PolarHBondContact O-N 2.97Å
247A89.9Confident90.6Very high72 Ų7263.6 Ų63.660%0.59535%0.352SS*.Hα-helixtrans-62.8-41.9176.400000112.3S245 K250 H251S245-A247 PolarHBondContact O-N 3.22Å; A247-K250 PolarHBondContact O-N 3.45Å; A247-H251 WeakPolarHBondContact O-CB 3.24Å; A247-H251 PolarHBondContact O-N 2.94Å
248V89.9Confident90.6Very high62 Ų6269.3 Ų69.338%0.37638%0.383SS..Hα-helixtrans-68.7-38.4177.91760000110.9M244 S245 H251 A252M244-V248 HydrophobicContact CG-CB 3.77Å; M244-V248 HydrophobicContact CG-CG1 3.64Å; M244-V248 HydrophobicContact SD-CB 4.21Å; M244-V248 HydrophobicContact SD-CG1 3.62Å; S245-V248 PolarHBondContact O-N 3.06Å; S245-V248 VanDerWaalsContact O-N 3.11Å; S245-V248 VanDerWaalsContact OG-CG2 3.3Å; S245-V248 WeakPolarHBondContact OG-CG2 3.29Å; S245-V248 PolarHBondContact OG-N 3.02Å; V248-H251 PolarHBondContact O-N 3.46Å; V248-A252 WeakPolarHBondContact O-CB 3.43Å; V248-A252 PolarHBondContact O-N 2.91Å
249I92Very high90.5Very high0 Ų071.5 Ų71.50%039%0.394CS..Hα-helixtrans-62.2-48.3175.4-64.2172.3000110.3L237 K238 L241 M244 S245 L246 H251 A252 V253L237-I249 HydrophobicContact CB-CG2 4.1Å; L237-I249 HydrophobicContact CD1-CG2 4.44Å; K238-I249 HydrophobicContact CB-CD1 4.05Å; K238-I249 HydrophobicContact CD-CD1 3.75Å; L241-I249 HydrophobicContact CB-CD1 4.11Å; L241-I249 HydrophobicContact CD1-CD1 4.47Å; L241-I249 HydrophobicContact CD1-CG1 4.4Å; M244-I249 HydrophobicContact CB-CD1 4.31Å; M244-I249 HydrophobicContact CB-CG1 4.12Å; M244-I249 HydrophobicContact CG-CG1 3.8Å; M244-I249 HydrophobicContact SD-CG1 3.52Å; M244-I249 VanDerWaalsContact SD-CG1 3.52Å; S245-I249 PolarHBondContact O-N 3.29Å; S245-I249 VanDerWaalsContact O-N 3.11Å; L246-I249 PolarHBondContact O-N 2.9Å; I249-H251 PolarHBondContact O-N 3.3Å; I249-A252 PolarHBondContact O-N 3.38Å; I249-V253 HydrophobicContact CG2-CG2 4.37Å; I249-V253 WeakPolarHBondContact O-CG2 3.45Å; I249-V253 PolarHBondContact O-N 2.95Å
250K93.1Very high90.5Very high117 Ų11767.3 Ų67.351%0.50939%0.385SS..Hα-helixtrans-60.2-45.6178.7-74.3-171.6175-159.70112.3T234 L246 A247 A252 V253 E254T234-K250 HydrophobicContact CG2-CG 4.44Å; L246-K250 WeakPolarHBondContact O-CG 3.48Å; L246-K250 PolarHBondContact O-N 2.97Å; A247-K250 PolarHBondContact O-N 3.45Å; K250-A252 VanDerWaalsContact C-N 3.32Å; K250-A252 PolarHBondContact O-N 3.32Å; K250-V253 PolarHBondContact O-N 3.14Å; K250-E254 WeakPolarHBondContact O-CB 3.42Å; K250-E254 PolarHBondContact O-N 3.19Å
251H92.9Very high90.6Very high124 Ų12461.6 Ų61.657%0.57437%0.366SS*.Hα-helixtrans-63.9-37.3177.3-173-85.2000112.3A247 V248 I249 F255A247-H251 WeakPolarHBondContact O-CB 3.24Å; A247-H251 PolarHBondContact O-N 2.94Å; V248-H251 PolarHBondContact O-N 3.46Å; I249-H251 PolarHBondContact O-N 3.3Å; H251-F255 WeakPolarHBondContact O-CB 3.43Å; H251-F255 PolarHBondContact O-N 3.27Å
252A93.8Very high90.8Very high2 Ų260.8 Ų60.82%0.01736%0.361CS..Hα-helixtrans-66.7-43.1175.100000111.9Q216 V219 V248 I249 K250 F255 L256Q216-A252 HydrophobicContact CG-CB 4Å; V219-A252 HydrophobicContact CB-CB 4.33Å; V219-A252 HydrophobicContact CG2-CB 3.97Å; V248-A252 WeakPolarHBondContact O-CB 3.43Å; V248-A252 PolarHBondContact O-N 2.91Å; I249-A252 PolarHBondContact O-N 3.38Å; K250-A252 VanDerWaalsContact C-N 3.32Å; K250-A252 PolarHBondContact O-N 3.32Å; A252-F255 PolarHBondContact O-N 2.85Å; A252-L256 WeakPolarHBondContact O-CB 3.44Å; A252-L256 WeakPolarHBondContact O-CG 3.33Å; A252-L256 PolarHBondContact O-N 3.01Å
253V94.2Very high91.2Very high11 Ų1160.6 Ų60.67%0.06735%0.348CS..Hα-helixtrans-62.2-46.9176.3167.60000111.3V219 L237 I249 K250 F255 L256 S257 I262 F271V219-V253 HydrophobicContact CG1-CG2 3.9Å; L237-V253 HydrophobicContact CD1-CG2 4.04Å; I249-V253 HydrophobicContact CG2-CG2 4.37Å; I249-V253 WeakPolarHBondContact O-CG2 3.45Å; I249-V253 PolarHBondContact O-N 2.95Å; K250-V253 PolarHBondContact O-N 3.14Å; V253-F255 VanDerWaalsContact C-N 3.34Å; V253-F255 PolarHBondContact O-N 3.03Å; V253-L256 PolarHBondContact O-N 2.67Å; V253-S257 WeakPolarHBondContact O-CB 3.2Å; V253-S257 PolarHBondContact O-N 2.99Å; V253-I262 HydrophobicContact CB-CD1 4.48Å; V253-I262 HydrophobicContact CG1-CD1 4.03Å; V253-F271 HydrophobicContact CG1-CD1 3.81Å; V253-F271 HydrophobicContact CG1-CD2 4Å; V253-F271 HydrophobicContact CG1-CE1 3.41Å; V253-F271 VanDerWaalsContact CG1-CE1 3.41Å; V253-F271 HydrophobicContact CG1-CE2 3.62Å; V253-F271 HydrophobicContact CG1-CG 4.09Å; V253-F271 HydrophobicContact CG1-CZ 3.31Å
254E93.8Very high91.6Very high119 Ų11959.8 Ų59.856%0.55633%0.329SS*.Hα-helixtrans-59-46.2177.4-177.8176.5-169.400111.4K250 S257 N258K250-E254 WeakPolarHBondContact O-CB 3.42Å; K250-E254 PolarHBondContact O-N 3.19Å; E254-S257 PolarHBondContact O-N 2.73Å; E254-N258 WeakPolarHBondContact O-CB 3.29Å; E254-N258 PolarHBondContact O-N 3.14Å; E254-N258 PolarHBondContact O-ND2 3.41Å
255F94.1Very high91.7Very high66 Ų6661 Ų6129%0.28934%0.338SS..Hα-helixtrans-60.2-49.7175.3178.7-88.3000112.3L212 Q216 H251 A252 V253 S257 N258 E259L212-F255 HydrophobicContact CD2-CD1 4.33Å; L212-F255 HydrophobicContact CD2-CE1 3.61Å; Q216-F255 HydrophobicContact CG-CD1 4.16Å; H251-F255 WeakPolarHBondContact O-CB 3.43Å; H251-F255 PolarHBondContact O-N 3.27Å; A252-F255 PolarHBondContact O-N 2.85Å; V253-F255 VanDerWaalsContact C-N 3.34Å; V253-F255 PolarHBondContact O-N 3.03Å; F255-S257 PolarHBondContact O-N 2.91Å; F255-N258 PolarHBondContact O-N 3.19Å; F255-E259 HydrophobicContact CD1-CG 4.14Å; F255-E259 HydrophobicContact CD2-CG 4.42Å; F255-E259 HydrophobicContact CE1-CG 3.67Å; F255-E259 HydrophobicContact CE2-CG 3.98Å; F255-E259 HydrophobicContact CG-CG 4.5Å; F255-E259 HydrophobicContact CZ-CG 3.59Å; F255-E259 WeakPolarHBondContact O-CG 3.09Å; F255-E259 PolarHBondContact O-N 2.97Å
256L94.3Very high91.4Very high0 Ų062.8 Ų62.80%034%0.341CS..Hα-helixtrans-62.9-33.2-179-70.9170.5000112L212 Q216 V219 L220 A252 V253 G260 H261 I262L212-L256 HydrophobicContact CD1-CD2 3.87Å; L212-L256 HydrophobicContact CD2-CD2 3.94Å; Q216-L256 HydrophobicContact CB-CD2 4.42Å; V219-L256 HydrophobicContact CB-CD1 4.18Å; V219-L256 HydrophobicContact CG1-CD1 3.84Å; L220-L256 HydrophobicContact CB-CD1 3.91Å; L220-L256 HydrophobicContact CB-CD2 4.15Å; L220-L256 HydrophobicContact CD1-CD2 4.47Å; L220-L256 HydrophobicContact CD2-CD2 4.21Å; A252-L256 WeakPolarHBondContact O-CB 3.44Å; A252-L256 WeakPolarHBondContact O-CG 3.33Å; A252-L256 PolarHBondContact O-N 3.01Å; V253-L256 PolarHBondContact O-N 2.67Å; L256-G260 PolarHBondContact O-N 3.11Å; L256-H261 HydrophobicContact CB-CB 4.31Å; L256-H261 HydrophobicContact CD2-CB 4.01Å; L256-H261 WeakPolarHBondContact O-CB 3.34Å; L256-H261 PolarHBondContact O-N 2.98Å; L256-I262 HydrophobicContact CB-CD1 3.71Å; L256-I262 HydrophobicContact CB-CG1 3.79Å; L256-I262 HydrophobicContact CB-CG2 4.37Å; L256-I262 HydrophobicContact CD1-CD1 4.47Å; L256-I262 PolarHBondContact O-N 3.42Å
257S92.3Very high91.4Very high49 Ų4962.6 Ų62.634%0.34334%0.341SS..Hα-helixtrans-68.7-47.7174.6-1730000111.2V253 E254 F255 E259 G260V253-S257 WeakPolarHBondContact O-CB 3.2Å; V253-S257 PolarHBondContact O-N 2.99Å; E254-S257 PolarHBondContact O-N 2.73Å; F255-S257 PolarHBondContact O-N 2.91Å; S257-E259 VanDerWaalsContact C-N 3.33Å; S257-E259 PolarHBondContact O-N 3.36Å; S257-G260 PolarHBondContact O-N 3.25Å
258N91.4Very high91.3Very high120 Ų12067.6 Ų67.664%0.64235%0.352SS*.Hα-helixtrans-64.2-35.6180-70.9-23.5000113.1E254 F255 G260E254-N258 WeakPolarHBondContact O-CB 3.29Å; E254-N258 PolarHBondContact O-N 3.14Å; E254-N258 PolarHBondContact O-ND2 3.41Å; F255-N258 PolarHBondContact O-N 3.19Å; N258-G260 VanDerWaalsContact C-N 3.26Å; N258-G260 PolarHBondContact O-N 2.82Å
259E87.9Confident91.3Very high104 Ų10468.6 Ų68.649%0.48636%0.355SS..THydrogen-bonded Turntrans-81-3.6174.9-65.3-62.5135.600113.1F255 S257F255-E259 HydrophobicContact CD1-CG 4.14Å; F255-E259 HydrophobicContact CD2-CG 4.42Å; F255-E259 HydrophobicContact CE1-CG 3.67Å; F255-E259 HydrophobicContact CE2-CG 3.98Å; F255-E259 HydrophobicContact CG-CG 4.5Å; F255-E259 HydrophobicContact CZ-CG 3.59Å; F255-E259 WeakPolarHBondContact O-CG 3.09Å; F255-E259 PolarHBondContact O-N 2.97Å; S257-E259 VanDerWaalsContact C-N 3.33Å; S257-E259 PolarHBondContact O-N 3.36Å
260G89.3Confident91.3Very high40 Ų4070.7 Ų70.741%0.41237%0.365SS..THydrogen-bonded Turntrans80.214175.300000115.5L256 S257 N258 T274L256-G260 PolarHBondContact O-N 3.11Å; S257-G260 PolarHBondContact O-N 3.25Å; N258-G260 VanDerWaalsContact C-N 3.26Å; N258-G260 PolarHBondContact O-N 2.82Å; G260-T274 VanDerWaalsContact O-CB 3.3Å; G260-T274 WeakPolarHBondContact O-CB 3.22Å; G260-T274 PolarHBondContact O-OG1 3.48Å
261H89.8Confident91.4Very high46 Ų4665.8 Ų65.821%0.21334%0.344CS..SBendtrans-75.2-27.2176.8-67.6-59.4000113.6L220 L256 S273 T274L220-H261 HydrophobicContact CD1-CB 4.03Å; L220-H261 HydrophobicContact CD2-CB 4.4Å; L256-H261 HydrophobicContact CB-CB 4.31Å; L256-H261 HydrophobicContact CD2-CB 4.01Å; L256-H261 WeakPolarHBondContact O-CB 3.34Å; L256-H261 PolarHBondContact O-N 2.98Å; H261-S273 WeakPolarHBondContact O-CA 3.4Å; H261-S273 PolarHBondContact O-OG 3.04Å; H261-T274 VanDerWaalsContact C-OG1 3.27Å; H261-T274 PolarHBondContact O-N 3.26Å; H261-T274 PolarHBondContact O-OG1 3.19Å
262I93.9Very high91.4Very high4 Ų462.7 Ų62.72%0.02133%0.328CS..EExtended strand (participates in β ladder)trans-138.2159.8179.668.6177.4000110.4L220 I223 V253 L256 F271 K272 T274L220-I262 HydrophobicContact CD1-CG2 3.68Å; I223-I262 HydrophobicContact CB-CG2 4.46Å; I223-I262 HydrophobicContact CD1-CD1 3.72Å; I223-I262 HydrophobicContact CD1-CG2 3.91Å; I223-I262 HydrophobicContact CG2-CG2 3.91Å; V253-I262 HydrophobicContact CB-CD1 4.48Å; V253-I262 HydrophobicContact CG1-CD1 4.03Å; L256-I262 HydrophobicContact CB-CD1 3.71Å; L256-I262 HydrophobicContact CB-CG1 3.79Å; L256-I262 HydrophobicContact CB-CG2 4.37Å; L256-I262 HydrophobicContact CD1-CD1 4.47Å; L256-I262 PolarHBondContact O-N 3.42Å; I262-F271 HydrophobicContact CD1-CB 4.21Å; I262-F271 HydrophobicContact CD1-CD1 4.07Å; I262-F271 HydrophobicContact CD1-CG 4.24Å; I262-K272 CarbonylContact C-O 3.52Å; I262-K272 WeakPolarHBondContact CA-O 3.42Å; I262-K272 VanDerWaalsContact CB-O 3.3Å; I262-K272 WeakPolarHBondContact CB-O 3.3Å; I262-T274 PolarHBondContact N-OG1 2.85Å
263F91.4Very high91.2Very high94 Ų9462.6 Ų62.641%0.41233%0.328SS..EExtended strand (participates in β ladder)trans-135.9154.9172.863.7-85.2000110.8T265 F271 K272F263-T265 HydrophobicContact CD2-CG2 4.35Å; F263-T265 HydrophobicContact CE2-CG2 3.91Å; F263-F271 WeakPolarHBondContact O-CA 3.4Å; F263-K272 HydrophobicContact CE1-CB 4.1Å; F263-K272 HydrophobicContact CE2-CB 4.31Å; F263-K272 HydrophobicContact CZ-CB 3.91Å; F263-K272 HydrophobicContact CZ-CD 4.18Å; F263-K272 HydrophobicContact CZ-CG 4.36Å; F263-K272 PolarHBondContact N-O 2.67Å; F263-K272 PolarHBondContact O-N 3.05Å
264S92.3Very high90.9Very high67 Ų6765.6 Ų65.647%0.46935%0.346SS..EExtended strand (participates in β ladder)trans-78.4141.5173.252.90000111.2D267 H270S264-D267 WeakPolarHBondContact CB-O 3.48Å; S264-H270 VanDerWaalsContact CA-O 3.26Å; S264-H270 WeakPolarHBondContact CA-O 3.38Å
265T88.9Confident90.1Very high47 Ų4764.7 Ų64.729%0.28835%0.345SS..  trans-101.6-82.2-173.151.80000112.6Q230 F263 H270 K272Q230-T265 WeakPolarHBondContact O-CB 3.16Å; Q230-T265 PolarHBondContact O-OG1 3.42Å; F263-T265 HydrophobicContact CD2-CG2 4.35Å; F263-T265 HydrophobicContact CE2-CG2 3.91Å; T265-H270 PolarHBondContact N-O 3.43Å; T265-H270 VanDerWaalsContact OG1-CB 3.29Å; T265-H270 WeakPolarHBondContact OG1-CB 3.26Å; T265-H270 PolarHBondContact OG1-O 2.97Å; T265-K272 HydrophobicContact CG2-CB 3.69Å; T265-K272 HydrophobicContact CG2-CD 4.44Å
266I86.4Confident88.3Confident100 Ų10065.2 Ų65.251%0.51335%0.351SS..SBendtrans-97-25.8-174.344.7166.2000113.8Q230 H270Q230-I266 HydrophobicContact CB-CD1 4.14Å; Q230-I266 HydrophobicContact CG-CD1 4.4Å; I266-H270 HydrophobicContact CG1-CB 3.93Å
267D88.2Confident86Confident71 Ų7172.7 Ų72.738%0.3839%0.391SS..SBendtrans-151.3-176.8177.462.132.9000109.9S264 D269 H270S264-D267 WeakPolarHBondContact CB-O 3.48Å; D267-D269 PolarHBondContact O-N 2.83Å; D267-D269 WeakPolarHBondContact OD1-CA 3.49Å; D267-D269 PolarHBondContact OD1-N 2.56Å; D267-H270 IonicContact OD1-CE1 3.14Å; D267-H270 IonicContact OD1-CG 3.37Å; D267-H270 PolarHBondContact OD1-N 3.4Å; D267-H270 IonicContact OD1-ND1 3Å; D267-H270 PolarHBondContact OD1-ND1 2.72Å; D267-H270 IonicContact OD2-CE1 2.81Å; D267-H270 PolarHBondContact OD2-CE1 3.47Å; D267-H270 IonicContact OD2-ND1 3.62Å; D267-H270 PolarHBondContact OD2-ND1 3Å
268E86.7Confident83.4Confident176 Ų17682 Ų8282%0.82244%0.437SS*.THydrogen-bonded Turntrans-74.1-6.5-178.6-61.2-176.6170.400113.8F271E268-F271 VanDerWaalsContact O-CZ 3.22Å; E268-F271 WeakPolarHBondContact O-CZ 3.22Å
269D90.9Very high83Confident84 Ų8480.2 Ų80.245%0.44943%0.427SS..THydrogen-bonded Turntrans-114.9-2.1-175.1-86.9-50.7000113.7S233 T234 D267 F271S233-D269 CarbonylContact C-O 3.42Å; S233-D269 WeakPolarHBondContact CA-O 3.39Å; T234-D269 PolarHBondContact N-O 3.44Å; T234-D269 PolarHBondContact OG1-O 3.14Å; T234-D269 PolarHBondContact OG1-OD1 2.6Å; D267-D269 PolarHBondContact O-N 2.83Å; D267-D269 WeakPolarHBondContact OD1-CA 3.49Å; D267-D269 PolarHBondContact OD1-N 2.56Å; D269-F271 VanDerWaalsContact C-CE2 3.48Å; D269-F271 WeakPolarHBondContact O-CE2 3.5Å
270H92.7Very high82.8Confident43 Ų4378.9 Ų78.920%0.19942%0.424CS..EExtended strand (participates in β ladder)trans-111.4129176.7-71.675.9000112.2S264 T265 I266 D267S264-H270 VanDerWaalsContact CA-O 3.26Å; S264-H270 WeakPolarHBondContact CA-O 3.38Å; T265-H270 PolarHBondContact N-O 3.43Å; T265-H270 VanDerWaalsContact OG1-CB 3.29Å; T265-H270 WeakPolarHBondContact OG1-CB 3.26Å; T265-H270 PolarHBondContact OG1-O 2.97Å; I266-H270 HydrophobicContact CG1-CB 3.93Å; D267-H270 IonicContact OD1-CE1 3.14Å; D267-H270 IonicContact OD1-CG 3.37Å; D267-H270 PolarHBondContact OD1-N 3.4Å; D267-H270 IonicContact OD1-ND1 3Å; D267-H270 PolarHBondContact OD1-ND1 2.72Å; D267-H270 IonicContact OD2-CE1 2.81Å; D267-H270 PolarHBondContact OD2-CE1 3.47Å; D267-H270 IonicContact OD2-ND1 3.62Å; D267-H270 PolarHBondContact OD2-ND1 3Å
271F93.8Very high82.4Confident15 Ų1581.1 Ų81.17%0.06643%0.425CS..EExtended strand (participates in β ladder)trans-127.2144.6-172-53.8-80.2000113I223 G231 I232 T234 V253 I262 F263 E268 D269I223-F271 HydrophobicContact CD1-CB 4.24Å; I223-F271 HydrophobicContact CG2-CB 4.49Å; G231-F271 CarbonylContact C-O 3.49Å; G231-F271 VanDerWaalsContact CA-O 3.24Å; G231-F271 WeakPolarHBondContact CA-O 3.3Å; I232-F271 PolarHBondContact N-O 2.87Å; I232-F271 PolarHBondContact O-N 3.36Å; T234-F271 WeakPolarHBondContact OG1-CE2 3.46Å; V253-F271 HydrophobicContact CG1-CD1 3.81Å; V253-F271 HydrophobicContact CG1-CD2 4Å; V253-F271 HydrophobicContact CG1-CE1 3.41Å; V253-F271 VanDerWaalsContact CG1-CE1 3.41Å; V253-F271 HydrophobicContact CG1-CE2 3.62Å; V253-F271 HydrophobicContact CG1-CG 4.09Å; V253-F271 HydrophobicContact CG1-CZ 3.31Å; I262-F271 HydrophobicContact CD1-CB 4.21Å; I262-F271 HydrophobicContact CD1-CD1 4.07Å; I262-F271 HydrophobicContact CD1-CG 4.24Å; F263-F271 WeakPolarHBondContact O-CA 3.4Å; E268-F271 VanDerWaalsContact O-CZ 3.22Å; E268-F271 WeakPolarHBondContact O-CZ 3.22Å; D269-F271 VanDerWaalsContact C-CE2 3.48Å; D269-F271 WeakPolarHBondContact O-CE2 3.5Å
272K92.9Very high82Confident58 Ų5883.1 Ų83.125%0.25244%0.437SS..EExtended strand (participates in β ladder)trans-132.9152.1173.1-158.8173.3-171.8177.70110.5I262 F263 T265I262-K272 CarbonylContact C-O 3.52Å; I262-K272 WeakPolarHBondContact CA-O 3.42Å; I262-K272 VanDerWaalsContact CB-O 3.3Å; I262-K272 WeakPolarHBondContact CB-O 3.3Å; F263-K272 HydrophobicContact CE1-CB 4.1Å; F263-K272 HydrophobicContact CE2-CB 4.31Å; F263-K272 HydrophobicContact CZ-CB 3.91Å; F263-K272 HydrophobicContact CZ-CD 4.18Å; F263-K272 HydrophobicContact CZ-CG 4.36Å; F263-K272 PolarHBondContact N-O 2.67Å; F263-K272 PolarHBondContact O-N 3.05Å; T265-K272 HydrophobicContact CG2-CB 3.69Å; T265-K272 HydrophobicContact CG2-CD 4.44Å
273S91.3Very high81.2Confident1 Ų188.1 Ų88.11%0.00746%0.463CS..EExtended strand (participates in β ladder)trans-78140.1178-172.10000111.2R224 H261 D275R224-S273 WeakPolarHBondContact CG-OG 3.34Å; H261-S273 WeakPolarHBondContact O-CA 3.4Å; H261-S273 PolarHBondContact O-OG 3.04Å; S273-D275 PolarHBondContact O-N 3.17Å
274T86.8Confident80.6Confident74 Ų7487.7 Ų87.745%0.45447%0.466SS..THydrogen-bonded Turntrans-68.9-18.6176.3-45.10000112.8G260 H261 I262 N276G260-T274 VanDerWaalsContact O-CB 3.3Å; G260-T274 WeakPolarHBondContact O-CB 3.22Å; G260-T274 PolarHBondContact O-OG1 3.48Å; H261-T274 VanDerWaalsContact C-OG1 3.27Å; H261-T274 PolarHBondContact O-N 3.26Å; H261-T274 PolarHBondContact O-OG1 3.19Å; I262-T274 PolarHBondContact N-OG1 2.85Å; T274-N276 VanDerWaalsContact C-N 3.32Å; T274-N276 PolarHBondContact O-N 2.85Å
275D76.7Confident79.7Confident100 Ų10089.1 Ų89.154%0.53547%0.466SS..THydrogen-bonded Turntrans-84.80.3-178.4-62-39.3000113.9R224 S273 D277R224-D275 IonicContact CZ-OD2 2.78Å; R224-D275 IonicContact NE-OD2 3.51Å; R224-D275 IonicContact NH2-OD2 3.46Å; R224-D275 PolarHBondContact NH2-OD2 3.3Å; S273-D275 PolarHBondContact O-N 3.17Å; D275-D277 PolarHBondContact O-N 3.33Å
276N57.5Low79Confident76 Ų7692.4 Ų92.441%0.40648%0.48SS..  trans-95.679.4179.4-80.8-12000111.2T274T274-N276 VanDerWaalsContact C-N 3.32Å; T274-N276 PolarHBondContact O-N 2.85Å
277D44.7Very low78.4Confident157 Ų15791.8 Ų91.884%0.8448%0.477SS*.  trans-123.290.5151.2-92.8-27.8000108.1D275D275-D277 PolarHBondContact O-N 3.33Å
278D38.8Very low77.5Confident246 Ų24693.6 Ų93.6100%1.31649%0.486SS*.  trans-151.10147.6-94.5-30.5000108.8

Retrieved 278 of 278 residues in 464.6 ms (Link to these results)