A0A2K5XA06_MANLE Loading...

BolA-like protein 1

Acts as a mitochondrial iron-sulfur (Fe-S) cluster assembly factor that facilitates (Fe-S) cluster insertion into a subset of mitochondrial proteins. Probably acts together with the monothiol glutaredoxin GLRX5. May protect cells against oxidative stress.

AlphaFold DB , UniProt , Accession A0A2K5XA06, Species MANLE (Mandrillus leucophaeus, Drill), Gene BOLA1, Length 137 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.4Very low50.9Low244 Ų244146.4 Ų146.4100%1.20284%0.843SS**  0110.40-79.5163.7154.300107.7
2L48.8Very low50.9Low168 Ų168142.5 Ų142.588%0.8883%0.831SS**  trans-71.7146.2179.1-75.777.8000110.6
3S49.7Very low51.3Low125 Ų125144 Ų14487%0.87483%0.828SS**  trans138.1122.7143.4-67.60000108.3
4G48.5Very low51.7Low65 Ų65140.7 Ų140.767%0.6783%0.827SS**  cis135.7138.414.500000108.5
5R56.9Low51.3Low242 Ų242135.7 Ų135.791%0.91382%0.817SS**  trans66148.1156.6-64.6177.2164.6-167.2-4.9114.8
6L56.2Low52Low147 Ų147141.6 Ų141.677%0.7782%0.82SS**  cis-159.5141.210.7-153.373.3000106.5
7V44.7Very low52.3Low125 Ų125140.1 Ų140.176%0.75881%0.813SS**  trans-59.2-171.9158.2-81.20000111.4
8P51.4Low52.6Low118 Ų118137.8 Ų137.877%0.76681%0.805SS**  -128.3172.4-59.936.1-20.3000110.8
9G48.9Very low52.5Low69 Ų69138.9 Ų138.971%0.71181%0.806SS**  trans93.2113.2147.200000117.1
10L54.8Low52.9Low160 Ų160137.1 Ų137.184%0.83880%0.802SS**  -149.195.9124.7-135.8104.9000108.6S12L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 3.25Å; L10-S12 VanDerWaalsContact O-N 3.07Å
11V51.3Low52.9Low147 Ų147142.4 Ų142.489%0.89181%0.809SS**  trans-6598.31561660000105.7
12S50.8Low52.8Low100 Ų100134.9 Ų134.970%0.69979%0.793SS**  trans-98.195.9172.4-161.20000109.5L10L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 3.25Å; L10-S12 VanDerWaalsContact O-N 3.07Å
13M56.6Low52.4Low162 Ų162132.7 Ų132.780%0.79879%0.792SS**  trans10.3115.7155.4-65.1-118.786.200117.3G15M13-G15 VanDerWaalsContact C-N 3.27Å; M13-G15 PolarHBondContact O-N 3.33Å
14A57.4Low52.1Low98 Ų98131.5 Ų131.581%0.8179%0.79SS**  trans-52.792.5150.400000109.9R16A14-R16 VanDerWaalsContact C-N 3.27Å; A14-R16 PolarHBondContact O-N 3.05Å
15G44.9Very low51.5Low65 Ų65131.1 Ų131.167%0.6779%0.786SS**  trans-71.885.6165.900000109M13 V17M13-G15 VanDerWaalsContact C-N 3.27Å; M13-G15 PolarHBondContact O-N 3.33Å; G15-V17 PolarHBondContact O-N 3.18Å
16R62Low51.2Low231 Ų231126 Ų12687%0.87279%0.787SS**  trans-61.189.4159.6-89.4-178.8158.5175.6-5.2107.9A14 C18A14-R16 VanDerWaalsContact C-N 3.27Å; A14-R16 PolarHBondContact O-N 3.05Å; R16-C18 PolarHBondContact O-N 3.49Å
17V57.7Low50.8Low115 Ų115122.9 Ų122.970%0.69779%0.791SS**  trans-83.898.3159.5-172.90000106.4G15 L19G15-V17 PolarHBondContact O-N 3.18Å; V17-L19 HydrophobicContact CB-CD1 4.19Å; V17-L19 HydrophobicContact CG1-CD1 3.48Å; V17-L19 VanDerWaalsContact CG1-CD1 3.48Å; V17-L19 HydrophobicContact CG1-CG 4.49Å; V17-L19 PolarHBondContact O-N 3.46Å; V17-L19 VanDerWaalsContact O-N 3.09Å
18C57.1Low51.5Low99 Ų99121 Ų12167%0.66979%0.788SS**  trans-67.896.4164.1-56.40000107.8R16 S20R16-C18 PolarHBondContact O-N 3.49Å; C18-S20 PolarHBondContact O-N 3.23Å
19L50.6Low52.5Low159 Ų159119.4 Ų119.483%0.83277%0.772SS**  trans-75.380.1164.8-8987.2000108.7V17V17-L19 HydrophobicContact CB-CD1 4.19Å; V17-L19 HydrophobicContact CG1-CD1 3.48Å; V17-L19 VanDerWaalsContact CG1-CD1 3.48Å; V17-L19 HydrophobicContact CG1-CG 4.49Å; V17-L19 PolarHBondContact O-N 3.46Å; V17-L19 VanDerWaalsContact O-N 3.09Å
20S60.6Low54.1Low103 Ų103116.9 Ų116.972%0.7275%0.746SS**  trans-101.996.5166-490000108.2C18C18-S20 PolarHBondContact O-N 3.23Å
21R52.8Low55.6Low249 Ų249114.1 Ų114.194%0.9474%0.738SS**  trans-16585.5153.6-112.2165.9166.9-164.5-5.9109.8S23R21-S23 PolarHBondContact O-N 3.41Å
22G47.9Very low57.3Low85 Ų85108 Ų10888%0.87670%0.701SS**  trans-65.8122.3166.400000110.3
23S39.9Very low59.2Low122 Ų122104.8 Ų104.885%0.85367%0.674SS**  trans-118.681.8149.9-168.10000105.5R21 G25R21-S23 PolarHBondContact O-N 3.41Å; S23-G25 VanDerWaalsContact C-N 3.27Å; S23-G25 PolarHBondContact O-N 3.39Å
24A42.4Very low60.8Low100 Ų10098.9 Ų98.983%0.82665%0.651SS**  trans-85.578.5170.600000107.5
25G37.3Very low62.3Low57 Ų5795.7 Ų95.759%0.58863%0.625SS**  trans-73.4141.3166.300000110.6S23S23-G25 VanDerWaalsContact C-N 3.27Å; S23-G25 PolarHBondContact O-N 3.39Å
26S49.1Very low64.5Low135 Ų13592.7 Ų92.794%0.94459%0.594SS**SBendtrans5.2111.4162.4-72.80000117.7
27G49.4Very low65.9Low82 Ų8287 Ų8785%0.84557%0.572SS**  trans116.91.715900000116.5I29G27-I29 PolarHBondContact O-N 2.82Å
28A57.9Low67.6Low84 Ų8484.6 Ų84.669%0.69456%0.558SS**PPolyproline II helixtrans-81.3116.4171.800000109.8G30A28-G30 PolarHBondContact O-N 2.81Å
29I73.2Confident69.2Low85 Ų8582 Ų8244%0.43654%0.536SS..PPolyproline II helixtrans-48.1121.9167.9-62.9170.6000107.7G27 E33 A34G27-I29 PolarHBondContact O-N 2.82Å; I29-E33 HydrophobicContact CG2-CB 3.85Å; I29-E33 HydrophobicContact CG2-CG 3.85Å; I29-A34 HydrophobicContact CG2-CB 3.96Å
30G83.1Confident71.2Confident16 Ų1674.5 Ų74.517%0.16550%0.496CS..PPolyproline II helixtrans-70.1163.6179.700000112.5A28 V32 E33 A34 E65A28-G30 PolarHBondContact O-N 2.81Å; G30-V32 VanDerWaalsContact C-N 3.28Å; G30-V32 PolarHBondContact O-N 3.5Å; G30-E33 PolarHBondContact O-N 3.06Å; G30-A34 WeakPolarHBondContact O-CB 3.41Å; G30-A34 PolarHBondContact O-N 3.03Å; G30-E65 VanDerWaalsContact CA-OE1 3.28Å; G30-E65 WeakPolarHBondContact CA-OE1 3.1Å
31P86.1Confident72.7Confident103 Ų10373.2 Ų73.267%0.66948%0.479SS*.Hα-helixtrans-62.1-36.3-179.826.1-33.9000112.2A35 E65P31-A35 PolarHBondContact O-N 2.92Å; P31-A35 VanDerWaalsContact O-N 3.13Å; P31-E65 WeakPolarHBondContact CD-OE2 3.46Å
32V87.4Confident74.5Confident18 Ų1868.3 Ų68.311%0.10947%0.466CS..Hα-helixtrans-71.4-43.2177.4-178.90000110G30 A34 A35 I36 E65 F68 P100 V101G30-V32 VanDerWaalsContact C-N 3.28Å; G30-V32 PolarHBondContact O-N 3.5Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 3.26Å; V32-A35 PolarHBondContact O-N 3.42Å; V32-I36 HydrophobicContact CG1-CD1 3.95Å; V32-I36 HydrophobicContact CG1-CG1 4.48Å; V32-I36 WeakPolarHBondContact O-CG1 3.33Å; V32-I36 PolarHBondContact O-N 3.24Å; V32-E65 HydrophobicContact CB-CB 4.19Å; V32-E65 WeakPolarHBondContact CB-OE1 3.4Å; V32-E65 HydrophobicContact CG2-CB 4.22Å; V32-E65 WeakPolarHBondContact CG2-OE2 3.44Å; V32-E65 PolarHBondContact N-OE1 3.19Å; V32-F68 HydrophobicContact CB-CE2 4.42Å; V32-F68 HydrophobicContact CB-CZ 4.19Å; V32-F68 HydrophobicContact CG1-CE2 3.77Å; V32-F68 HydrophobicContact CG1-CZ 4Å; V32-P100 HydrophobicContact CG1-CG 3.95Å; V32-P100 HydrophobicContact CG2-CB 4.23Å; V32-P100 HydrophobicContact CG2-CG 3.77Å; V32-V101 HydrophobicContact CG1-CG2 3.71Å
33E89.4Confident76.6Confident32 Ų3266.5 Ų66.515%0.1544%0.443CS..Hα-helixtrans-57.2-46.3175.2-168.5-176.5142.600112.1I29 G30 A35 I36 R37 L51 E65 F68I29-E33 HydrophobicContact CG2-CB 3.85Å; I29-E33 HydrophobicContact CG2-CG 3.85Å; G30-E33 PolarHBondContact O-N 3.06Å; E33-A35 VanDerWaalsContact C-N 3.35Å; E33-A35 PolarHBondContact O-N 2.9Å; E33-I36 PolarHBondContact O-N 2.84Å; E33-R37 WeakPolarHBondContact O-CB 3.17Å; E33-R37 PolarHBondContact O-N 3.2Å; E33-L51 HydrophobicContact CB-CD2 4.3Å; E33-L51 HydrophobicContact CG-CD2 3.36Å; E33-L51 HydrophobicContact CG-CG 3.72Å; E33-L51 WeakPolarHBondContact O-CD2 3.28Å; E33-E65 PolarHBondContact N-OE1 3.27Å; E33-F68 HydrophobicContact CB-CE1 4.02Å; E33-F68 HydrophobicContact CG-CE1 4.32Å
34A89.8Confident79Confident38 Ų3861.1 Ų61.131%0.31440%0.404SS..Hα-helixtrans-62.7-39.5177.800000112.5I29 G30 V32 T38I29-A34 HydrophobicContact CG2-CB 3.96Å; G30-A34 WeakPolarHBondContact O-CB 3.41Å; G30-A34 PolarHBondContact O-N 3.03Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 3.26Å; A34-T38 WeakPolarHBondContact O-CB 3.38Å; A34-T38 PolarHBondContact O-N 2.86Å; A34-T38 PolarHBondContact O-OG1 3.43Å
35A90.1Very high81.3Confident31 Ų3160 Ų6026%0.25639%0.391SS..Hα-helixtrans-64.3-47.7176.900000111.6P31 V32 E33 R37 T38 K39P31-A35 PolarHBondContact O-N 2.92Å; P31-A35 VanDerWaalsContact O-N 3.13Å; V32-A35 PolarHBondContact O-N 3.42Å; E33-A35 VanDerWaalsContact C-N 3.35Å; E33-A35 PolarHBondContact O-N 2.9Å; A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 3.08Å; A35-T38 PolarHBondContact O-N 2.8Å; A35-K39 WeakPolarHBondContact O-CG 3.37Å; A35-K39 PolarHBondContact O-N 3.03Å
36I91Very high83.9Confident2 Ų258.5 Ų58.51%0.0137%0.371CS..Hα-helixtrans-57.5-49.5176.5-68.7165.8000110.2V32 E33 T38 K39 L40 L51 F68 L93 E96 V101V32-I36 HydrophobicContact CG1-CD1 3.95Å; V32-I36 HydrophobicContact CG1-CG1 4.48Å; V32-I36 WeakPolarHBondContact O-CG1 3.33Å; V32-I36 PolarHBondContact O-N 3.24Å; E33-I36 PolarHBondContact O-N 2.84Å; I36-T38 PolarHBondContact O-N 3.48Å; I36-K39 PolarHBondContact O-N 3.41Å; I36-L40 HydrophobicContact CG2-CD1 3.84Å; I36-L40 HydrophobicContact CG2-CG 4.43Å; I36-L40 WeakPolarHBondContact O-CG 3.19Å; I36-L40 PolarHBondContact O-N 3.26Å; I36-L51 HydrophobicContact CB-CD2 3.94Å; I36-L51 HydrophobicContact CG2-CD1 4.03Å; I36-L51 HydrophobicContact CG2-CD2 3.75Å; I36-F68 HydrophobicContact CD1-CD2 3.91Å; I36-F68 HydrophobicContact CD1-CE2 4.04Å; I36-F68 HydrophobicContact CD1-CG 4.17Å; I36-F68 HydrophobicContact CD1-CZ 4.42Å; I36-L93 HydrophobicContact CB-CD2 4.18Å; I36-L93 HydrophobicContact CG1-CD2 4.24Å; I36-L93 HydrophobicContact CG2-CD1 3.85Å; I36-L93 HydrophobicContact CG2-CD2 3.87Å; I36-E96 HydrophobicContact CG1-CB 4.34Å; I36-E96 HydrophobicContact CG1-CG 4.17Å; I36-V101 HydrophobicContact CD1-CG2 3.99Å
37R91.9Very high86Confident111 Ų11157.7 Ų57.742%0.41935%0.352SS..Hα-helixtrans-55.7-51.8179.9-175.5-177.4179.1157.43.8111.3E33 A35 K39 L40 E41 L49 L51E33-R37 WeakPolarHBondContact O-CB 3.17Å; E33-R37 PolarHBondContact O-N 3.2Å; A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 3.08Å; R37-K39 VanDerWaalsContact C-N 3.35Å; R37-K39 PolarHBondContact O-N 3.31Å; R37-L40 PolarHBondContact O-N 3.1Å; R37-E41 HydrophobicContact CG-CG 4.46Å; R37-E41 WeakPolarHBondContact CG-OE1 3.05Å; R37-E41 IonicContact CZ-OE1 3.7Å; R37-E41 IonicContact NE-OE1 3.56Å; R37-E41 PolarHBondContact NE-OE1 2.98Å; R37-E41 IonicContact NH2-OE1 3.64Å; R37-E41 WeakPolarHBondContact O-CB 3.28Å; R37-E41 WeakPolarHBondContact O-CG 3.26Å; R37-E41 PolarHBondContact O-N 2.82Å; R37-L49 HydrophobicContact CB-CD2 4.49Å; R37-L49 HydrophobicContact CG-CD2 3.67Å; R37-L51 HydrophobicContact CB-CD2 4.18Å
38T92.5Very high87.9Confident65 Ų6555.7 Ų55.740%0.39932%0.323SS..Hα-helixtrans-59.7-45-178.3-56.20000111.5A34 A35 I36 L40 E41 Q42A34-T38 WeakPolarHBondContact O-CB 3.38Å; A34-T38 PolarHBondContact O-N 2.86Å; A34-T38 PolarHBondContact O-OG1 3.43Å; A35-T38 PolarHBondContact O-N 2.8Å; I36-T38 PolarHBondContact O-N 3.48Å; T38-L40 PolarHBondContact O-N 2.99Å; T38-E41 PolarHBondContact O-N 3.39Å; T38-Q42 WeakPolarHBondContact O-CB 3.2Å; T38-Q42 VanDerWaalsContact O-CG 3.26Å; T38-Q42 WeakPolarHBondContact O-CG 3.39Å; T38-Q42 PolarHBondContact O-N 3.35Å
39K91.7Very high89.5Confident46 Ų4653.2 Ų53.220%0.230%0.298CS..Hα-helixtrans-63.3-41.5179.1-76.1179.5169.1177.70112.2A35 I36 R37 Q42 A43 L93 E95 E96A35-K39 WeakPolarHBondContact O-CG 3.37Å; A35-K39 PolarHBondContact O-N 3.03Å; I36-K39 PolarHBondContact O-N 3.41Å; R37-K39 VanDerWaalsContact C-N 3.35Å; R37-K39 PolarHBondContact O-N 3.31Å; K39-Q42 PolarHBondContact O-N 2.9Å; K39-A43 WeakPolarHBondContact O-CB 3.33Å; K39-A43 PolarHBondContact O-N 3.48Å; K39-L93 HydrophobicContact CB-CD2 4Å; K39-L93 HydrophobicContact CD-CD2 4.45Å; K39-E95 IonicContact NZ-OE2 2.7Å; K39-E95 PolarHBondContact NZ-OE2 3.29Å; K39-E96 HydrophobicContact CD-CG 4.16Å; K39-E96 IonicContact NZ-OE1 2.72Å; K39-E96 PolarHBondContact NZ-OE1 3.06Å
40L91.9Very high90.3Very high0 Ų052.5 Ų52.50%029%0.293CS..Hα-helixtrans-69.5-40.2177.8-67.2174.4000112.3I36 R37 T38 Q42 A43 L44 L49 V70 V89 A92 L93I36-L40 HydrophobicContact CG2-CD1 3.84Å; I36-L40 HydrophobicContact CG2-CG 4.43Å; I36-L40 WeakPolarHBondContact O-CG 3.19Å; I36-L40 PolarHBondContact O-N 3.26Å; R37-L40 PolarHBondContact O-N 3.1Å; T38-L40 PolarHBondContact O-N 2.99Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-Q42 PolarHBondContact O-N 3.48Å; L40-A43 PolarHBondContact O-N 3.09Å; L40-L44 HydrophobicContact CD2-CD1 3.76Å; L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 PolarHBondContact O-N 2.92Å; L40-L49 HydrophobicContact CB-CD1 4.3Å; L40-L49 HydrophobicContact CB-CD2 4.37Å; L40-L49 HydrophobicContact CD1-CD1 3.98Å; L40-V70 HydrophobicContact CD1-CG2 3.59Å; L40-V89 HydrophobicContact CD2-CG1 3.99Å; L40-A92 HydrophobicContact CD2-CB 4.3Å; L40-L93 HydrophobicContact CD1-CD1 4.18Å; L40-L93 HydrophobicContact CD2-CD1 3.97Å; L40-L93 HydrophobicContact CD2-CD2 4.22Å; L40-L93 HydrophobicContact CD2-CG 3.96Å; L40-L93 HydrophobicContact CG-CD1 4.22Å; L40-L93 HydrophobicContact CG-CD2 4.09Å; L40-L93 HydrophobicContact CG-CG 4.31Å
41E91.9Very high90.6Very high77 Ų7752.8 Ų52.836%0.3629%0.291SS..Hα-helixtrans-59.8-44.3174.9-74.1175.9-17900111.1R37 T38 S45 L49R37-E41 HydrophobicContact CG-CG 4.46Å; R37-E41 WeakPolarHBondContact CG-OE1 3.05Å; R37-E41 IonicContact CZ-OE1 3.7Å; R37-E41 IonicContact NE-OE1 3.56Å; R37-E41 PolarHBondContact NE-OE1 2.98Å; R37-E41 IonicContact NH2-OE1 3.64Å; R37-E41 WeakPolarHBondContact O-CB 3.28Å; R37-E41 WeakPolarHBondContact O-CG 3.26Å; R37-E41 PolarHBondContact O-N 2.82Å; T38-E41 PolarHBondContact O-N 3.39Å; E41-S45 VanDerWaalsContact O-CA 3.28Å; E41-S45 WeakPolarHBondContact O-CA 3.25Å; E41-S45 PolarHBondContact O-N 3.48Å; E41-S45 VanDerWaalsContact O-N 3.09Å; E41-L49 HydrophobicContact CG-CD2 3.64Å
42Q91.4Very high90.6Very high146 Ų14655.6 Ų55.668%0.68229%0.288SS*.Hα-helixtrans-69.6-43178.5-71.3173.9-4.700113.1T38 K39 L40T38-Q42 WeakPolarHBondContact O-CB 3.2Å; T38-Q42 VanDerWaalsContact O-CG 3.26Å; T38-Q42 WeakPolarHBondContact O-CG 3.39Å; T38-Q42 PolarHBondContact O-N 3.35Å; K39-Q42 PolarHBondContact O-N 2.9Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-Q42 PolarHBondContact O-N 3.48Å
43A91.2Very high90.5Very high46 Ų4657.4 Ų57.438%0.3830%0.297SS..Hα-helixtrans-79.1-37.4-173.900000113.3K39 L40 A92K39-A43 WeakPolarHBondContact O-CB 3.33Å; K39-A43 PolarHBondContact O-N 3.48Å; L40-A43 PolarHBondContact O-N 3.09Å; A43-A92 HydrophobicContact CB-CB 3.78Å
44L89.8Confident90Very high9 Ų959.1 Ų59.15%0.04731%0.305CS..Hα-helixtrans-117-13.6-167-60.5168000113.7L40 V72 S74 F77 V89L40-L44 HydrophobicContact CD2-CD1 3.76Å; L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 PolarHBondContact O-N 2.92Å; L44-V72 HydrophobicContact CD1-CG2 4.24Å; L44-S74 PolarHBondContact O-OG 2.94Å; L44-F77 HydrophobicContact CD1-CZ 4.01Å; L44-F77 HydrophobicContact CD2-CE1 4.17Å; L44-F77 HydrophobicContact CD2-CZ 4.33Å; L44-V89 HydrophobicContact CD1-CG2 3.95Å
45S90.6Very high89.1Confident78 Ų7857.7 Ų57.755%0.54529%0.293SS..  trans40.158.7-176.4-53.60000112.6E41E41-S45 VanDerWaalsContact O-CA 3.28Å; E41-S45 WeakPolarHBondContact O-CA 3.25Å; E41-S45 PolarHBondContact O-N 3.48Å; E41-S45 VanDerWaalsContact O-N 3.09Å
46P92.9Very high87.7Confident25 Ų2559.8 Ų59.816%0.16232%0.318CS..  trans-70.7148.6-174.731.6-34.5000112.2L49 V72 V73P46-L49 HydrophobicContact CG-CB 3.96Å; P46-L49 HydrophobicContact CG-CD1 4.44Å; P46-L49 HydrophobicContact CG-CD2 4.42Å; P46-V72 HydrophobicContact CB-CG2 3.61Å; P46-V72 HydrophobicContact CG-CG2 4.09Å; P46-V73 CarbonylContact C-O 3.59Å; P46-V73 WeakPolarHBondContact CA-O 3.5Å; P46-V73 WeakPolarHBondContact CB-O 3.26Å
47E91.9Very high86.1Confident117 Ų11762.4 Ų62.455%0.54735%0.345SS..SBendtrans-74.1-35.5170.2-70.1179.5-14000111.1V73 P111 R115E47-V73 PolarHBondContact N-O 3.01Å; E47-P111 WeakPolarHBondContact OE1-CB 3.44Å; E47-P111 WeakPolarHBondContact OE1-CG 3.36Å; E47-R115 IonicContact OE2-NH2 3.59Å
48V90.4Very high84.4Confident41 Ų4161.9 Ų61.925%0.24835%0.347CS..EExtended strand (participates in β ladder)trans-133128.5176.8-175.40000108.8E50 V73 W114V48-E50 HydrophobicContact CG1-CG 4.45Å; V48-V73 HydrophobicContact CB-CB 3.86Å; V48-V73 HydrophobicContact CB-CG2 3.84Å; V48-V73 HydrophobicContact CG2-CB 4.38Å; V48-V73 HydrophobicContact CG2-CG2 4.49Å; V48-V73 PolarHBondContact N-O 3.44Å; V48-V73 PolarHBondContact O-N 2.8Å; V48-W114 HydrophobicContact CG1-CZ2 4.1Å
49L91.4Very high82.6Confident32 Ų3264.5 Ų64.517%0.16838%0.375CS..EExtended strand (participates in β ladder)trans-132.7112.4175.8-177.566.8000109R37 L40 E41 P46 V70 A71 V72R37-L49 HydrophobicContact CB-CD2 4.49Å; R37-L49 HydrophobicContact CG-CD2 3.67Å; L40-L49 HydrophobicContact CB-CD1 4.3Å; L40-L49 HydrophobicContact CB-CD2 4.37Å; L40-L49 HydrophobicContact CD1-CD1 3.98Å; E41-L49 HydrophobicContact CG-CD2 3.64Å; P46-L49 HydrophobicContact CG-CB 3.96Å; P46-L49 HydrophobicContact CG-CD1 4.44Å; P46-L49 HydrophobicContact CG-CD2 4.42Å; L49-V70 HydrophobicContact CD1-CG2 3.81Å; L49-A71 WeakPolarHBondContact CA-O 3.5Å; L49-V72 HydrophobicContact CD1-CB 4.15Å; L49-V72 HydrophobicContact CD1-CG2 4.2Å
50E89.8Confident81.1Confident69 Ų6964.6 Ų64.632%0.32238%0.379SS..EExtended strand (participates in β ladder)trans-113.1123.7170.7-64.8-163.3-161.500109.4V48 V70 A71 L120V48-E50 HydrophobicContact CG1-CG 4.45Å; E50-V70 CarbonylContact O-C 3.42Å; E50-V70 WeakPolarHBondContact O-CA 3.45Å; E50-A71 HydrophobicContact CB-CB 4.29Å; E50-A71 PolarHBondContact N-O 3.47Å; E50-A71 PolarHBondContact O-N 3.19Å; E50-L120 HydrophobicContact CB-CD1 4.1Å; E50-L120 VanDerWaalsContact CD-CD1 3.49Å; E50-L120 HydrophobicContact CG-CD1 4.25Å; E50-L120 WeakPolarHBondContact OE2-CD1 3.41Å
51L88.9Confident79.7Confident22 Ų2269 Ų6912%0.11541%0.408CS..EExtended strand (participates in β ladder)trans-123.8130.8176.8-177.362.4000107.8E33 I36 R37 F68 R69 V70E33-L51 HydrophobicContact CB-CD2 4.3Å; E33-L51 HydrophobicContact CG-CD2 3.36Å; E33-L51 HydrophobicContact CG-CG 3.72Å; E33-L51 WeakPolarHBondContact O-CD2 3.28Å; I36-L51 HydrophobicContact CB-CD2 3.94Å; I36-L51 HydrophobicContact CG2-CD1 4.03Å; I36-L51 HydrophobicContact CG2-CD2 3.75Å; R37-L51 HydrophobicContact CB-CD2 4.18Å; L51-F68 HydrophobicContact CD1-CB 4.38Å; L51-F68 HydrophobicContact CD1-CD1 4.37Å; L51-R69 WeakPolarHBondContact CA-O 3.46Å; L51-V70 HydrophobicContact CD1-CB 3.82Å; L51-V70 HydrophobicContact CD1-CG2 4.09Å
52R86.3Confident78.2Confident163 Ų16371.9 Ų71.962%0.61543%0.433SS*.EExtended strand (participates in β ladder)trans-136.9135.2178.6-67.1-170.7-178.8-155.71.1110.4R69R52-R69 PolarHBondContact N-O 3.13Å; R52-R69 PolarHBondContact O-N 3.21Å
53N85Confident77Confident56 Ų5668.2 Ų68.230%0.29943%0.434SS..EExtended strand (participates in β ladder)trans-80.8119.2170-172.3-12.6000109.9S55 S64 H67 F68N53-S55 WeakPolarHBondContact OD1-CB 3.41Å; N53-S55 PolarHBondContact OD1-N 2.88Å; N53-S55 PolarHBondContact OD1-OG 2.99Å; N53-S64 PolarHBondContact ND2-O 2.8Å; N53-H67 PolarHBondContact OD1-O 2.83Å; N53-F68 HydrophobicContact CB-CD1 4.06Å; N53-F68 HydrophobicContact CB-CE1 3.8Å
54E78.9Confident76Confident67 Ų6767.1 Ų67.131%0.31342%0.424SS..  trans-109.314.7179-67.8-168.3141.200112.6G56 G57 H67 R69E54-G56 PolarHBondContact O-N 3.01Å; E54-G56 VanDerWaalsContact O-N 3.13Å; E54-G57 PolarHBondContact O-N 3.34Å; E54-H67 PolarHBondContact N-O 2.78Å; E54-R69 VanDerWaalsContact CD-CZ 3.43Å; E54-R69 HydrophobicContact CG-CB 4.34Å; E54-R69 IonicContact OE1-CZ 3.89Å; E54-R69 IonicContact OE1-NE 2.7Å; E54-R69 IonicContact OE1-NH1 2.95Å; E54-R69 PolarHBondContact OE1-NH1 3.13Å; E54-R69 IonicContact OE1-NH2 2.95Å; E54-R69 PolarHBondContact OE1-NH2 3.45Å; E54-R69 IonicContact OE2-CZ 3.08Å; E54-R69 IonicContact OE2-NE 3.77Å; E54-R69 IonicContact OE2-NH1 2.65Å; E54-R69 IonicContact OE2-NH2 3.17Å; E54-R69 PolarHBondContact OE2-NH2 3.23Å
55S70.9Confident75.4Confident9 Ų968.5 Ų68.56%0.06343%0.43CS..G310 helixtrans-56.4-30.4179.6670000113.8N53 G57 H58 V60 S64 H67N53-S55 WeakPolarHBondContact OD1-CB 3.41Å; N53-S55 PolarHBondContact OD1-N 2.88Å; N53-S55 PolarHBondContact OD1-OG 2.99Å; S55-G57 PolarHBondContact O-N 3.26Å; S55-H58 PolarHBondContact O-N 2.84Å; S55-V60 WeakPolarHBondContact O-CG2 3.45Å; S55-S64 WeakPolarHBondContact CB-O 3.35Å; S55-S64 PolarHBondContact OG-O 3.44Å; S55-H67 PolarHBondContact N-O 2.87Å
56G60.8Low74.9Confident75 Ų7566 Ų6677%0.77341%0.412SS*.G310 helixtrans-63.8-9.3-178.800000115.6E54 H58E54-G56 PolarHBondContact O-N 3.01Å; E54-G56 VanDerWaalsContact O-N 3.13Å; G56-H58 VanDerWaalsContact C-N 3.29Å
57G57.6Low74.5Confident56 Ų5667.3 Ų67.358%0.57742%0.416SS*.G310 helixtrans-79.4-5.8174.900000114.9E54 S55E54-G57 PolarHBondContact O-N 3.34Å; S55-G57 PolarHBondContact O-N 3.26Å
58H57.2Low74.3Confident101 Ų10161.9 Ų61.947%0.46839%0.39SS..SBendtrans-122.1163.2-177.6-64.7-61.3000111.9S55 G56 V60 H67S55-H58 PolarHBondContact O-N 2.84Å; G56-H58 VanDerWaalsContact C-N 3.29Å; H58-V60 HydrophobicContact CB-CG1 4.24Å; H58-V60 HydrophobicContact CB-CG2 4.38Å; H58-V60 PolarHBondContact O-N 3.29Å; H58-H67 AromaticContact CD2-CD2 3.98Å; H58-H67 AromaticContact CD2-CE1 3.96Å; H58-H67 AromaticContact CD2-NE2 3.91Å
59A54Low74.1Confident119 Ų11961.1 Ų61.198%0.98338%0.383SS*.SBendtrans-70.753.4174.400000111.6
60V60.2Low74.1Confident48 Ų4859.6 Ų59.629%0.29138%0.375SS..SBendtrans-108.7150.2175.9-64.10000108.9S55 H58S55-V60 WeakPolarHBondContact O-CG2 3.45Å; H58-V60 HydrophobicContact CB-CG1 4.24Å; H58-V60 HydrophobicContact CB-CG2 4.38Å; H58-V60 PolarHBondContact O-N 3.29Å
61P63.3Low74.2Confident93 Ų9356.5 Ų56.560%0.60436%0.361SS*.  trans-54.1144.2177.3-26.234.1000112.1G63 S64P61-G63 PolarHBondContact O-N 3.07Å; P61-S64 WeakPolarHBondContact CD-OG 3.47Å; P61-S64 WeakPolarHBondContact O-CB 3.28Å; P61-S64 PolarHBondContact O-N 3.45Å; P61-S64 PolarHBondContact O-OG 3.26Å
62P60.3Low74.4Confident137 Ų13755.5 Ų55.589%0.8936%0.356SS*.THydrogen-bonded Turntrans-57.3131174.924.4-33000109.9
63G64.6Low74.8Confident69 Ų6947.8 Ų47.871%0.71133%0.327SS*.THydrogen-bonded Turntrans89.48.3-174.500000115P61P61-G63 PolarHBondContact O-N 3.07Å
64S70.6Confident75.2Confident23 Ų2345.2 Ų45.216%0.16131%0.313CS..  trans-64138.4171.2-62.70000110.9N53 S55 P61N53-S64 PolarHBondContact ND2-O 2.8Å; S55-S64 WeakPolarHBondContact CB-O 3.35Å; S55-S64 PolarHBondContact OG-O 3.44Å; P61-S64 WeakPolarHBondContact CD-OG 3.47Å; P61-S64 WeakPolarHBondContact O-CB 3.28Å; P61-S64 PolarHBondContact O-N 3.45Å; P61-S64 PolarHBondContact O-OG 3.26Å
65E78.3Confident75.9Confident38 Ų3845 Ų4518%0.17832%0.319CS..  trans-112.349.7178.3-74.6-174.1106.800109.7G30 P31 V32 E33 F68G30-E65 VanDerWaalsContact CA-OE1 3.28Å; G30-E65 WeakPolarHBondContact CA-OE1 3.1Å; P31-E65 WeakPolarHBondContact CD-OE2 3.46Å; V32-E65 HydrophobicContact CB-CB 4.19Å; V32-E65 WeakPolarHBondContact CB-OE1 3.4Å; V32-E65 HydrophobicContact CG2-CB 4.22Å; V32-E65 WeakPolarHBondContact CG2-OE2 3.44Å; V32-E65 PolarHBondContact N-OE1 3.19Å; E33-E65 PolarHBondContact N-OE1 3.27Å; E65-F68 HydrophobicContact CB-CE2 3.9Å; E65-F68 HydrophobicContact CB-CZ 3.61Å; E65-F68 HydrophobicContact CG-CZ 3.91Å; E65-F68 WeakPolarHBondContact O-CE2 3.38Å
66T78.5Confident76.9Confident25 Ų2551.6 Ų51.615%0.15334%0.343CS..  trans-100.3-30.5-172.856.30000113.7H102 A103T66-H102 PolarHBondContact O-N 3.08Å; T66-A103 PolarHBondContact O-N 3.07Å; T66-A103 VanDerWaalsContact O-N 3.07Å
67H84.9Confident78.4Confident54 Ų5448 Ų4825%0.2531%0.306CS..EExtended strand (participates in β ladder)trans-122.2119.1-178.6-66.971.4000109.8N53 E54 S55 H58 A103N53-H67 PolarHBondContact OD1-O 2.83Å; E54-H67 PolarHBondContact N-O 2.78Å; S55-H67 PolarHBondContact N-O 2.87Å; H58-H67 AromaticContact CD2-CD2 3.98Å; H58-H67 AromaticContact CD2-CE1 3.96Å; H58-H67 AromaticContact CD2-NE2 3.91Å; H67-A103 WeakPolarHBondContact CA-O 3.43Å
68F87.6Confident80Confident3 Ų351 Ų511%0.01330%0.304CS..EExtended strand (participates in β ladder)trans-121.1147.3178.3-72.2-78.5000110.7V32 E33 I36 L51 N53 E65 V101 A103 L104 A105V32-F68 HydrophobicContact CB-CE2 4.42Å; V32-F68 HydrophobicContact CB-CZ 4.19Å; V32-F68 HydrophobicContact CG1-CE2 3.77Å; V32-F68 HydrophobicContact CG1-CZ 4Å; E33-F68 HydrophobicContact CB-CE1 4.02Å; E33-F68 HydrophobicContact CG-CE1 4.32Å; I36-F68 HydrophobicContact CD1-CD2 3.91Å; I36-F68 HydrophobicContact CD1-CE2 4.04Å; I36-F68 HydrophobicContact CD1-CG 4.17Å; I36-F68 HydrophobicContact CD1-CZ 4.42Å; L51-F68 HydrophobicContact CD1-CB 4.38Å; L51-F68 HydrophobicContact CD1-CD1 4.37Å; N53-F68 HydrophobicContact CB-CD1 4.06Å; N53-F68 HydrophobicContact CB-CE1 3.8Å; E65-F68 HydrophobicContact CB-CE2 3.9Å; E65-F68 HydrophobicContact CB-CZ 3.61Å; E65-F68 HydrophobicContact CG-CZ 3.91Å; E65-F68 WeakPolarHBondContact O-CE2 3.38Å; F68-V101 HydrophobicContact CD2-CG1 3.98Å; F68-V101 HydrophobicContact CD2-CG2 3.96Å; F68-V101 HydrophobicContact CE2-CG2 3.93Å; F68-A103 PolarHBondContact N-O 2.92Å; F68-L104 HydrophobicContact CB-CD1 3.55Å; F68-L104 CarbonylContact O-C 3.54Å; F68-L104 VanDerWaalsContact O-CA 3.32Å; F68-L104 WeakPolarHBondContact O-CA 3.18Å; F68-A105 PolarHBondContact O-N 3.09Å
69R87.9Confident81.7Confident25 Ų2550.2 Ų50.29%0.09432%0.324CS..EExtended strand (participates in β ladder)trans-113.3130.6162.7178173.7-66.613817.7109L51 R52 E54 A105 S123L51-R69 WeakPolarHBondContact CA-O 3.46Å; R52-R69 PolarHBondContact N-O 3.13Å; R52-R69 PolarHBondContact O-N 3.21Å; E54-R69 VanDerWaalsContact CD-CZ 3.43Å; E54-R69 HydrophobicContact CG-CB 4.34Å; E54-R69 IonicContact OE1-CZ 3.89Å; E54-R69 IonicContact OE1-NE 2.7Å; E54-R69 IonicContact OE1-NH1 2.95Å; E54-R69 PolarHBondContact OE1-NH1 3.13Å; E54-R69 IonicContact OE1-NH2 2.95Å; E54-R69 PolarHBondContact OE1-NH2 3.45Å; E54-R69 IonicContact OE2-CZ 3.08Å; E54-R69 IonicContact OE2-NE 3.77Å; E54-R69 IonicContact OE2-NH1 2.65Å; E54-R69 IonicContact OE2-NH2 3.17Å; E54-R69 PolarHBondContact OE2-NH2 3.23Å; R69-A105 CarbonylContact C-O 3.59Å; R69-A105 WeakPolarHBondContact CA-O 3.46Å; R69-A105 HydrophobicContact CB-CB 4.17Å; R69-A105 HydrophobicContact CG-CB 4.15Å; R69-S123 VanDerWaalsContact NH1-N 3.1Å; R69-S123 PolarHBondContact NH2-OG 3.02Å
70V90.8Very high83.5Confident0 Ų046.8 Ų46.80%029%0.289CS..EExtended strand (participates in β ladder)trans-123.9129.4173.468.10000110.7L40 L49 E50 L51 L104 A105 I106 Q107L40-V70 HydrophobicContact CD1-CG2 3.59Å; L49-V70 HydrophobicContact CD1-CG2 3.81Å; E50-V70 CarbonylContact O-C 3.42Å; E50-V70 WeakPolarHBondContact O-CA 3.45Å; L51-V70 HydrophobicContact CD1-CB 3.82Å; L51-V70 HydrophobicContact CD1-CG2 4.09Å; V70-L104 HydrophobicContact CB-CD1 4.2Å; V70-L104 HydrophobicContact CG1-CD1 3.8Å; V70-L104 HydrophobicContact CG1-CD2 4.04Å; V70-L104 HydrophobicContact CG1-CG 4Å; V70-A105 PolarHBondContact N-O 3.33Å; V70-I106 HydrophobicContact CG1-CB 4.39Å; V70-I106 HydrophobicContact CG1-CG1 3.95Å; V70-I106 HydrophobicContact CG1-CG2 4.45Å; V70-I106 CarbonylContact O-C 3.39Å; V70-I106 WeakPolarHBondContact O-CA 3.19Å; V70-Q107 PolarHBondContact O-N 3.37Å
71A91.8Very high85.1Confident4 Ų446.9 Ų46.93%0.03329%0.292CS..EExtended strand (participates in β ladder)trans-112.1122.416700000109.2L49 E50 Q107 L120L49-A71 WeakPolarHBondContact CA-O 3.5Å; E50-A71 HydrophobicContact CB-CB 4.29Å; E50-A71 PolarHBondContact N-O 3.47Å; E50-A71 PolarHBondContact O-N 3.19Å; A71-Q107 CarbonylContact C-O 3.59Å; A71-Q107 WeakPolarHBondContact CA-O 3.45Å; A71-Q107 HydrophobicContact CB-CB 4.04Å; A71-L120 HydrophobicContact CB-CD1 3.85Å; A71-L120 HydrophobicContact CB-CD2 3.25Å; A71-L120 HydrophobicContact CB-CG 4.21Å
72V93.2Very high86.3Confident0 Ų047 Ų470%029%0.292CS..EExtended strand (participates in β ladder)trans-127.5124.5-174.459.80000109.2L44 P46 L49 F77 V89 Q107 A108 R109L44-V72 HydrophobicContact CD1-CG2 4.24Å; P46-V72 HydrophobicContact CB-CG2 3.61Å; P46-V72 HydrophobicContact CG-CG2 4.09Å; L49-V72 HydrophobicContact CD1-CB 4.15Å; L49-V72 HydrophobicContact CD1-CG2 4.2Å; V72-F77 HydrophobicContact CB-CE2 4.32Å; V72-F77 HydrophobicContact CG1-CE2 3.69Å; V72-F77 HydrophobicContact CG1-CZ 3.7Å; V72-F77 HydrophobicContact CG2-CE2 3.98Å; V72-F77 HydrophobicContact CG2-CZ 4.17Å; V72-V89 HydrophobicContact CG1-CG2 4.07Å; V72-Q107 PolarHBondContact N-O 3.45Å; V72-A108 HydrophobicContact CG1-CB 4.06Å; V72-A108 WeakPolarHBondContact O-CA 3.34Å; V72-R109 PolarHBondContact O-N 3.32Å
73V93.9Very high87.8Confident2 Ų245.5 Ų45.51%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-113.1112.3177.8-175.60000108.7P46 E47 V48 R109 P111 W114P46-V73 CarbonylContact C-O 3.59Å; P46-V73 WeakPolarHBondContact CA-O 3.5Å; P46-V73 WeakPolarHBondContact CB-O 3.26Å; E47-V73 PolarHBondContact N-O 3.01Å; V48-V73 HydrophobicContact CB-CB 3.86Å; V48-V73 HydrophobicContact CB-CG2 3.84Å; V48-V73 HydrophobicContact CG2-CB 4.38Å; V48-V73 HydrophobicContact CG2-CG2 4.49Å; V48-V73 PolarHBondContact N-O 3.44Å; V48-V73 PolarHBondContact O-N 2.8Å; V73-R109 VanDerWaalsContact CA-O 3.28Å; V73-R109 WeakPolarHBondContact CA-O 3.21Å; V73-R109 HydrophobicContact CG2-CB 4.46Å; V73-P111 HydrophobicContact CG1-CB 4.31Å; V73-P111 HydrophobicContact CG1-CG 4.19Å; V73-W114 HydrophobicContact CG1-CB 3.69Å; V73-W114 HydrophobicContact CG1-CG 4.12Å; V73-W114 HydrophobicContact CG2-CB 3.99Å; V73-W114 HydrophobicContact CG2-CD2 3.65Å; V73-W114 HydrophobicContact CG2-CE3 3.69Å; V73-W114 HydrophobicContact CG2-CG 3.8Å; V73-W114 HydrophobicContact CG2-CZ3 4.38Å
74S94.4Very high89.2Confident1 Ų146.6 Ų46.61%0.00726%0.263CS..  trans-146.7143.4-179.5179.50000111.1L44 R76 F77 R109L44-S74 PolarHBondContact O-OG 2.94Å; S74-R76 PolarHBondContact O-N 2.92Å; S74-R76 WeakPolarHBondContact OG-CB 3.2Å; S74-R76 WeakPolarHBondContact OG-CG 3.49Å; S74-R76 PolarHBondContact OG-N 3.2Å; S74-F77 WeakPolarHBondContact O-CD2 3.28Å; S74-F77 PolarHBondContact O-N 3.29Å; S74-R109 PolarHBondContact N-O 3.38Å
75S93.1Very high90.3Very high62 Ų6246.9 Ų46.943%0.43426%0.26SS..G310 helixtrans-63.9-19.1172.153.80000112.3F77 E78S75-F77 PolarHBondContact O-N 3.42Å; S75-E78 WeakPolarHBondContact O-CB 3.33Å; S75-E78 WeakPolarHBondContact O-CG 3.34Å; S75-E78 PolarHBondContact O-N 2.96Å
76R91.1Very high90.9Very high149 Ų14948.5 Ų48.556%0.56227%0.268SS*.G310 helixtrans-59.8-17.8173.3-65.3-67.3179.289.71.1113.7S74 L80S74-R76 PolarHBondContact O-N 2.92Å; S74-R76 WeakPolarHBondContact OG-CB 3.2Å; S74-R76 WeakPolarHBondContact OG-CG 3.49Å; S74-R76 PolarHBondContact OG-N 3.2Å; R76-L80 VanDerWaalsContact O-CD1 3.28Å; R76-L80 WeakPolarHBondContact O-CD1 3.48Å
77F92.5Very high91.6Very high0 Ų055.1 Ų55.10%029%0.29CS..G310 helixtrans-89.9-3.1178.4-55.9-46.5000114.1L44 V72 S74 S75 L80 R85 V89 A108 R109 T110L44-F77 HydrophobicContact CD1-CZ 4.01Å; L44-F77 HydrophobicContact CD2-CE1 4.17Å; L44-F77 HydrophobicContact CD2-CZ 4.33Å; V72-F77 HydrophobicContact CB-CE2 4.32Å; V72-F77 HydrophobicContact CG1-CE2 3.69Å; V72-F77 HydrophobicContact CG1-CZ 3.7Å; V72-F77 HydrophobicContact CG2-CE2 3.98Å; V72-F77 HydrophobicContact CG2-CZ 4.17Å; S74-F77 WeakPolarHBondContact O-CD2 3.28Å; S74-F77 PolarHBondContact O-N 3.29Å; S75-F77 PolarHBondContact O-N 3.42Å; F77-L80 PolarHBondContact O-N 3.41Å; F77-R85 HydrophobicContact CB-CG 3.92Å; F77-R85 HydrophobicContact CD1-CB 3.92Å; F77-R85 HydrophobicContact CD1-CG 3.76Å; F77-R85 HydrophobicContact CE1-CB 4.27Å; F77-R85 HydrophobicContact CG-CB 4.49Å; F77-R85 HydrophobicContact CG-CG 4.05Å; F77-R85 PolarHBondContact O-NE 2.93Å; F77-R85 PolarHBondContact O-NH2 2.81Å; F77-V89 HydrophobicContact CE1-CG2 4.39Å; F77-V89 HydrophobicContact CZ-CG2 4.15Å; F77-A108 HydrophobicContact CD1-CB 4.49Å; F77-A108 HydrophobicContact CD2-CB 4.16Å; F77-A108 HydrophobicContact CE1-CB 4.26Å; F77-A108 HydrophobicContact CE2-CB 3.92Å; F77-A108 HydrophobicContact CG-CB 4.43Å; F77-A108 HydrophobicContact CZ-CB 3.95Å; F77-R109 WeakPolarHBondContact CD2-O 3.34Å; F77-T110 HydrophobicContact CB-CG2 4.07Å
78E91.7Very high91.9Very high117 Ų11756.1 Ų56.155%0.54730%0.297SS..THydrogen-bonded Turntrans-64.1134.1176.6-70.4-179.5-179.300111S75 L80 T110S75-E78 WeakPolarHBondContact O-CB 3.33Å; S75-E78 WeakPolarHBondContact O-CG 3.34Å; S75-E78 PolarHBondContact O-N 2.96Å; E78-L80 PolarHBondContact O-N 3.39Å; E78-L80 VanDerWaalsContact O-N 3.13Å; E78-T110 HydrophobicContact CG-CG2 3.76Å
79G92Very high92.1Very high85 Ų8556 Ų5688%0.87630%0.296SS*.THydrogen-bonded Turntrans71.6-2.7-176.800000115.6
80L92.6Very high92.3Very high48 Ų4858.7 Ų58.725%0.25131%0.31SS..  trans-93.2140.8178.4-61.3-175.4000112.5R76 F77 E78 Q84 R85 L88R76-L80 VanDerWaalsContact O-CD1 3.28Å; R76-L80 WeakPolarHBondContact O-CD1 3.48Å; F77-L80 PolarHBondContact O-N 3.41Å; E78-L80 PolarHBondContact O-N 3.39Å; E78-L80 VanDerWaalsContact O-N 3.13Å; L80-Q84 HydrophobicContact CB-CB 4.19Å; L80-Q84 HydrophobicContact CD2-CB 4.47Å; L80-R85 HydrophobicContact CB-CG 3.94Å; L80-R85 PolarHBondContact O-NE 2.85Å; L80-R85 PolarHBondContact O-NH2 2.83Å; L80-L88 HydrophobicContact CD1-CD1 3.37Å
81S93.8Very high92.4Very high50 Ų5062.1 Ų62.135%0.3534%0.338SS..  trans-66.7155.3170.6660000111.7L83 Q84 R85S81-L83 VanDerWaalsContact C-N 3.26Å; S81-L83 PolarHBondContact O-N 2.98Å; S81-Q84 WeakPolarHBondContact O-CB 3.42Å; S81-Q84 PolarHBondContact O-N 3.29Å; S81-Q84 VanDerWaalsContact OG-CD 3.31Å; S81-Q84 VanDerWaalsContact OG-CG 3.29Å; S81-Q84 WeakPolarHBondContact OG-CG 3.48Å; S81-Q84 PolarHBondContact OG-N 3.13Å; S81-Q84 PolarHBondContact OG-OE1 3.05Å; S81-R85 WeakPolarHBondContact O-CG 3.42Å; S81-R85 PolarHBondContact O-N 2.75Å
82P88.8Confident92.3Very high94 Ų9463.2 Ų63.261%0.6135%0.347SS*.Hα-helixtrans-52.2-42.3178.6-28.135.2000113.5Q84 R85 H86P82-Q84 PolarHBondContact O-N 2.87Å; P82-R85 PolarHBondContact O-N 3.02Å; P82-H86 PolarHBondContact O-CD2 2.68Å; P82-H86 PolarHBondContact O-N 2.65Å
83L92.1Very high92.2Very high106 Ų10663.3 Ų63.356%0.55535%0.347SS*.Hα-helixtrans-64.1-40.4178-177.663.6000112.3S81 R85 H86 R87S81-L83 VanDerWaalsContact C-N 3.26Å; S81-L83 PolarHBondContact O-N 2.98Å; L83-R85 VanDerWaalsContact C-N 3.35Å; L83-H86 PolarHBondContact O-N 2.95Å; L83-R87 WeakPolarHBondContact O-CB 3.47Å; L83-R87 WeakPolarHBondContact O-CG 3.26Å; L83-R87 PolarHBondContact O-N 2.7Å
84Q93.2Very high91.9Very high92 Ų9265.8 Ų65.843%0.4337%0.368SS..Hα-helixtrans-64.7-40.4176.9-75.4167.6-52.800111.5L80 S81 P82 H86 R87 L88L80-Q84 HydrophobicContact CB-CB 4.19Å; L80-Q84 HydrophobicContact CD2-CB 4.47Å; S81-Q84 WeakPolarHBondContact O-CB 3.42Å; S81-Q84 PolarHBondContact O-N 3.29Å; S81-Q84 VanDerWaalsContact OG-CD 3.31Å; S81-Q84 VanDerWaalsContact OG-CG 3.29Å; S81-Q84 WeakPolarHBondContact OG-CG 3.48Å; S81-Q84 PolarHBondContact OG-N 3.13Å; S81-Q84 PolarHBondContact OG-OE1 3.05Å; P82-Q84 PolarHBondContact O-N 2.87Å; Q84-H86 PolarHBondContact O-N 3.47Å; Q84-R87 PolarHBondContact O-N 3.29Å; Q84-L88 WeakPolarHBondContact O-CG 3.42Å; Q84-L88 PolarHBondContact O-N 2.99Å
85R93.6Very high91.5Very high30 Ų3072.7 Ų72.711%0.11340%0.4CS..Hα-helixtrans-60.3-46.3175.2-59.4173.8-170.5-166.7-2.8111.1F77 L80 S81 P82 L83 R87 L88 V89 A108F77-R85 HydrophobicContact CB-CG 3.92Å; F77-R85 HydrophobicContact CD1-CB 3.92Å; F77-R85 HydrophobicContact CD1-CG 3.76Å; F77-R85 HydrophobicContact CE1-CB 4.27Å; F77-R85 HydrophobicContact CG-CB 4.49Å; F77-R85 HydrophobicContact CG-CG 4.05Å; F77-R85 PolarHBondContact O-NE 2.93Å; F77-R85 PolarHBondContact O-NH2 2.81Å; L80-R85 HydrophobicContact CB-CG 3.94Å; L80-R85 PolarHBondContact O-NE 2.85Å; L80-R85 PolarHBondContact O-NH2 2.83Å; S81-R85 WeakPolarHBondContact O-CG 3.42Å; S81-R85 PolarHBondContact O-N 2.75Å; P82-R85 PolarHBondContact O-N 3.02Å; L83-R85 VanDerWaalsContact C-N 3.35Å; R85-R87 VanDerWaalsContact C-N 3.35Å; R85-R87 PolarHBondContact O-N 3.2Å; R85-L88 PolarHBondContact O-N 3.33Å; R85-V89 WeakPolarHBondContact O-CG2 3.44Å; R85-V89 PolarHBondContact O-N 2.97Å; R85-V89 VanDerWaalsContact O-N 3.13Å; R85-A108 HydrophobicContact CB-CB 3.68Å; R85-A108 HydrophobicContact CG-CB 4.43Å; R85-A108 PolarHBondContact NH1-O 3.42Å
86H91.4Very high91.1Very high71 Ų7171.3 Ų71.333%0.32939%0.387SS..Hα-helixtrans-63.1-41.7177.5-74.4-142.8000111.6P82 L83 Q84 L88 V89 H90P82-H86 PolarHBondContact O-CD2 2.68Å; P82-H86 PolarHBondContact O-N 2.65Å; L83-H86 PolarHBondContact O-N 2.95Å; Q84-H86 PolarHBondContact O-N 3.47Å; H86-L88 VanDerWaalsContact C-N 3.33Å; H86-L88 PolarHBondContact O-N 2.7Å; H86-V89 PolarHBondContact O-N 2.72Å; H86-H90 WeakPolarHBondContact O-CB 3.5Å; H86-H90 PolarHBondContact O-N 3.21Å
87R93.5Very high90.7Very high165 Ų16566.7 Ų66.762%0.62337%0.373SS*.Hα-helixtrans-60.5-40.3175.3-76.2177.7176.3-177.3-0.5112.6L83 Q84 R85 H90 A91L83-R87 WeakPolarHBondContact O-CB 3.47Å; L83-R87 WeakPolarHBondContact O-CG 3.26Å; L83-R87 PolarHBondContact O-N 2.7Å; Q84-R87 PolarHBondContact O-N 3.29Å; R85-R87 VanDerWaalsContact C-N 3.35Å; R85-R87 PolarHBondContact O-N 3.2Å; R87-H90 PolarHBondContact O-N 3.09Å; R87-A91 VanDerWaalsContact O-CB 3.26Å; R87-A91 WeakPolarHBondContact O-CB 3.48Å; R87-A91 PolarHBondContact O-N 3.39Å
88L91.9Very high90.2Very high74 Ų7471 Ų7139%0.38741%0.409SS..Hα-helixtrans-62.9-45176.2-76.4175.1000111.8L80 Q84 R85 H86 A91 A92L80-L88 HydrophobicContact CD1-CD1 3.37Å; Q84-L88 WeakPolarHBondContact O-CG 3.42Å; Q84-L88 PolarHBondContact O-N 2.99Å; R85-L88 PolarHBondContact O-N 3.33Å; H86-L88 VanDerWaalsContact C-N 3.33Å; H86-L88 PolarHBondContact O-N 2.7Å; L88-A91 PolarHBondContact O-N 3.06Å; L88-A92 PolarHBondContact O-N 3.27Å
89V91.8Very high89.7Confident0 Ų067.6 Ų67.60%041%0.405CS..Hα-helixtrans-65.1-44.9177.3175.30000110.8L40 L44 V72 F77 R85 H86 A91 A92 L93 L104 I106L40-V89 HydrophobicContact CD2-CG1 3.99Å; L44-V89 HydrophobicContact CD1-CG2 3.95Å; V72-V89 HydrophobicContact CG1-CG2 4.07Å; F77-V89 HydrophobicContact CE1-CG2 4.39Å; F77-V89 HydrophobicContact CZ-CG2 4.15Å; R85-V89 WeakPolarHBondContact O-CG2 3.44Å; R85-V89 PolarHBondContact O-N 2.97Å; R85-V89 VanDerWaalsContact O-N 3.13Å; H86-V89 PolarHBondContact O-N 2.72Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 2.85Å; V89-A92 PolarHBondContact O-N 3.34Å; V89-L93 HydrophobicContact CG1-CD1 4.09Å; V89-L93 WeakPolarHBondContact O-CG 3.5Å; V89-L93 PolarHBondContact O-N 2.95Å; V89-L93 VanDerWaalsContact O-N 3.09Å; V89-L104 HydrophobicContact CG1-CD2 4.35Å; V89-I106 HydrophobicContact CB-CD1 4.01Å; V89-I106 HydrophobicContact CB-CG2 4.16Å; V89-I106 HydrophobicContact CG1-CD1 3.64Å; V89-I106 HydrophobicContact CG1-CG1 3.95Å; V89-I106 HydrophobicContact CG1-CG2 4.02Å; V89-I106 HydrophobicContact CG2-CG2 4Å
90H91.8Very high89Confident83 Ų8366.3 Ų66.338%0.38438%0.381SS..Hα-helixtrans-61.1-39.7175-76.7-168.9000112.4H86 R87 A92 L93 A94 L97 I106H86-H90 WeakPolarHBondContact O-CB 3.5Å; H86-H90 PolarHBondContact O-N 3.21Å; R87-H90 PolarHBondContact O-N 3.09Å; H90-A92 VanDerWaalsContact C-N 3.34Å; H90-L93 CarbonylContact O-C 3.54Å; H90-L93 PolarHBondContact O-N 3.43Å; H90-A94 WeakPolarHBondContact O-CA 2.97Å; H90-A94 PolarHBondContact O-N 3.46Å; H90-L97 HydrophobicContact CB-CD1 4.35Å; H90-I106 WeakPolarHBondContact CD2-CD1 3.29Å; H90-I106 WeakPolarHBondContact NE2-CD1 3.13Å
91A91.4Very high88.5Confident72 Ų7264.3 Ų64.360%0.59537%0.371SS*.Hα-helixtrans-63.9-41177.600000111.4R87 L88 V89 L93R87-A91 VanDerWaalsContact O-CB 3.26Å; R87-A91 WeakPolarHBondContact O-CB 3.48Å; R87-A91 PolarHBondContact O-N 3.39Å; L88-A91 PolarHBondContact O-N 3.06Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 2.85Å; A91-L93 VanDerWaalsContact C-N 3.26Å; A91-L93 PolarHBondContact O-N 3.35Å
92A90.9Very high87.6Confident26 Ų2668.9 Ų68.922%0.21539%0.387CS..Hα-helixtrans-65.7-28.9175.600000113L40 A43 L88 V89 H90L40-A92 HydrophobicContact CD2-CB 4.3Å; A43-A92 HydrophobicContact CB-CB 3.78Å; L88-A92 PolarHBondContact O-N 3.27Å; V89-A92 PolarHBondContact O-N 3.34Å; H90-A92 VanDerWaalsContact C-N 3.34Å
93L90.5Very high87.3Confident2 Ų266.4 Ų66.41%0.0137%0.374CS..THydrogen-bonded Turntrans-108.912.7-176.2-61.4178.7000113.9I36 K39 L40 V89 H90 A91 E95 E96 L97 L104I36-L93 HydrophobicContact CB-CD2 4.18Å; I36-L93 HydrophobicContact CG1-CD2 4.24Å; I36-L93 HydrophobicContact CG2-CD1 3.85Å; I36-L93 HydrophobicContact CG2-CD2 3.87Å; K39-L93 HydrophobicContact CB-CD2 4Å; K39-L93 HydrophobicContact CD-CD2 4.45Å; L40-L93 HydrophobicContact CD1-CD1 4.18Å; L40-L93 HydrophobicContact CD2-CD1 3.97Å; L40-L93 HydrophobicContact CD2-CD2 4.22Å; L40-L93 HydrophobicContact CD2-CG 3.96Å; L40-L93 HydrophobicContact CG-CD1 4.22Å; L40-L93 HydrophobicContact CG-CD2 4.09Å; L40-L93 HydrophobicContact CG-CG 4.31Å; V89-L93 HydrophobicContact CG1-CD1 4.09Å; V89-L93 WeakPolarHBondContact O-CG 3.5Å; V89-L93 PolarHBondContact O-N 2.95Å; V89-L93 VanDerWaalsContact O-N 3.09Å; H90-L93 CarbonylContact O-C 3.54Å; H90-L93 PolarHBondContact O-N 3.43Å; A91-L93 VanDerWaalsContact C-N 3.26Å; A91-L93 PolarHBondContact O-N 3.35Å; L93-E95 PolarHBondContact O-N 2.96Å; L93-E95 VanDerWaalsContact O-N 3.16Å; L93-E96 PolarHBondContact O-N 3.49Å; L93-L97 HydrophobicContact CB-CD1 4.28Å; L93-L97 HydrophobicContact CB-CG 4.41Å; L93-L97 WeakPolarHBondContact O-CG 3.43Å; L93-L97 PolarHBondContact O-N 2.83Å; L93-L104 HydrophobicContact CD1-CD2 3.43Å; L93-L104 VanDerWaalsContact CD1-CD2 3.43Å
94A88.1Confident87Confident54 Ų5462.5 Ų62.545%0.44635%0.353SS..Hα-helixtrans-57-37.7-172.400000112.3H90 A98H90-A94 WeakPolarHBondContact O-CA 2.97Å; H90-A94 PolarHBondContact O-N 3.46Å; A94-A98 WeakPolarHBondContact O-CB 3.18Å; A94-A98 PolarHBondContact O-N 2.84Å
95E85.5Confident86.8Confident147 Ų14760.1 Ų60.169%0.68735%0.349SS*.Hα-helixtrans-66.8-39176.9-66.4174-176.800113K39 L93 A98 G99K39-E95 IonicContact NZ-OE2 2.7Å; K39-E95 PolarHBondContact NZ-OE2 3.29Å; L93-E95 PolarHBondContact O-N 2.96Å; L93-E95 VanDerWaalsContact O-N 3.16Å; E95-A98 PolarHBondContact O-N 3.44Å; E95-G99 PolarHBondContact O-N 3.25Å
96E84.4Confident86.6Confident33 Ų3359.4 Ų59.415%0.15435%0.348CS..Hα-helixtrans-74.8-36.7179.9-56.8-55.3143.100111.3I36 K39 L93 A98 G99 P100 V101I36-E96 HydrophobicContact CG1-CB 4.34Å; I36-E96 HydrophobicContact CG1-CG 4.17Å; K39-E96 HydrophobicContact CD-CG 4.16Å; K39-E96 IonicContact NZ-OE1 2.72Å; K39-E96 PolarHBondContact NZ-OE1 3.06Å; L93-E96 PolarHBondContact O-N 3.49Å; E96-A98 VanDerWaalsContact C-N 3.3Å; E96-G99 PolarHBondContact O-N 2.59Å; E96-G99 VanDerWaalsContact O-N 3.16Å; E96-P100 WeakPolarHBondContact O-CD 3.32Å; E96-V101 HydrophobicContact CB-CG2 4.26Å; E96-V101 PolarHBondContact O-N 3.12Å
97L83.4Confident86.6Confident52 Ų5257.3 Ų57.327%0.27234%0.338SS..Hα-helixtrans-70.2-25.3174.9-71170.5000112.8H90 L93 V101 L104H90-L97 HydrophobicContact CB-CD1 4.35Å; L93-L97 HydrophobicContact CB-CD1 4.28Å; L93-L97 HydrophobicContact CB-CG 4.41Å; L93-L97 WeakPolarHBondContact O-CG 3.43Å; L93-L97 PolarHBondContact O-N 2.83Å; L97-V101 HydrophobicContact CD2-CB 4.2Å; L97-V101 HydrophobicContact CD2-CG1 3.81Å; L97-L104 HydrophobicContact CD2-CB 4.2Å
98A81.9Confident86.6Confident90 Ų9050 Ų5074%0.74431%0.313SS*.THydrogen-bonded Turntrans-78.1-11.3172.100000112.9A94 E95 E96A94-A98 WeakPolarHBondContact O-CB 3.18Å; A94-A98 PolarHBondContact O-N 2.84Å; E95-A98 PolarHBondContact O-N 3.44Å; E96-A98 VanDerWaalsContact C-N 3.3Å
99G80.7Confident86.6Confident46 Ų4648.3 Ų48.347%0.47430%0.301SS..THydrogen-bonded Turntrans-114-113.6-176.300000112.6E95 E96E95-G99 PolarHBondContact O-N 3.25Å; E96-G99 PolarHBondContact O-N 2.59Å; E96-G99 VanDerWaalsContact O-N 3.16Å
100P76.9Confident86.6Confident58 Ų5848.8 Ų48.838%0.37730%0.304SS..THydrogen-bonded Turntrans-76.2-25.6-168.929.1-34.7000114.3V32 E96 H102V32-P100 HydrophobicContact CG1-CG 3.95Å; V32-P100 HydrophobicContact CG2-CB 4.23Å; V32-P100 HydrophobicContact CG2-CG 3.77Å; E96-P100 WeakPolarHBondContact O-CD 3.32Å; P100-H102 PolarHBondContact O-N 3.05Å; P100-H102 PolarHBondContact O-ND1 3.03Å; P100-H102 VanDerWaalsContact O-ND1 3.1Å
101V82.3Confident86.6Confident6 Ų645 Ų454%0.03629%0.287CS..  trans-82119.1-173.6-176.10000110.3V32 I36 F68 E96 L97V32-V101 HydrophobicContact CG1-CG2 3.71Å; I36-V101 HydrophobicContact CD1-CG2 3.99Å; F68-V101 HydrophobicContact CD2-CG1 3.98Å; F68-V101 HydrophobicContact CD2-CG2 3.96Å; F68-V101 HydrophobicContact CE2-CG2 3.93Å; E96-V101 HydrophobicContact CB-CG2 4.26Å; E96-V101 PolarHBondContact O-N 3.12Å; L97-V101 HydrophobicContact CD2-CB 4.2Å; L97-V101 HydrophobicContact CD2-CG1 3.81Å
102H76.4Confident86.6Confident146 Ų14644.2 Ų44.268%0.67628%0.28SS*.  trans-90.5-37.1178.9-73.358.9000112.4T66 P100T66-H102 PolarHBondContact O-N 3.08Å; P100-H102 PolarHBondContact O-N 3.05Å; P100-H102 PolarHBondContact O-ND1 3.03Å; P100-H102 VanDerWaalsContact O-ND1 3.1Å
103A80.9Confident86.5Confident41 Ų4146.8 Ų46.834%0.33929%0.288SS..EExtended strand (participates in β ladder)trans-146.4139.1179.700000111.6T66 H67 F68T66-A103 PolarHBondContact O-N 3.07Å; T66-A103 VanDerWaalsContact O-N 3.07Å; H67-A103 WeakPolarHBondContact CA-O 3.43Å; F68-A103 PolarHBondContact N-O 2.92Å
104L86.8Confident86.5Confident25 Ų2548.7 Ų48.713%0.13130%0.295CS..EExtended strand (participates in β ladder)trans-128.3117.7177.3-176.970.3000109.7F68 V70 V89 L93 L97 I106F68-L104 HydrophobicContact CB-CD1 3.55Å; F68-L104 CarbonylContact O-C 3.54Å; F68-L104 VanDerWaalsContact O-CA 3.32Å; F68-L104 WeakPolarHBondContact O-CA 3.18Å; V70-L104 HydrophobicContact CB-CD1 4.2Å; V70-L104 HydrophobicContact CG1-CD1 3.8Å; V70-L104 HydrophobicContact CG1-CD2 4.04Å; V70-L104 HydrophobicContact CG1-CG 4Å; V89-L104 HydrophobicContact CG1-CD2 4.35Å; L93-L104 HydrophobicContact CD1-CD2 3.43Å; L93-L104 VanDerWaalsContact CD1-CD2 3.43Å; L97-L104 HydrophobicContact CD2-CB 4.2Å; L104-I106 HydrophobicContact CD2-CD1 3.95Å; L104-I106 HydrophobicContact CD2-CG1 3.76Å; L104-I106 HydrophobicContact CG-CD1 4.37Å; L104-I106 HydrophobicContact CG-CG1 3.8Å
105A88.3Confident86.5Confident41 Ų4154.9 Ų54.934%0.33931%0.307SS..EExtended strand (participates in β ladder)trans-84.3118.3169.400000109.2F68 R69 V70F68-A105 PolarHBondContact O-N 3.09Å; R69-A105 CarbonylContact C-O 3.59Å; R69-A105 WeakPolarHBondContact CA-O 3.46Å; R69-A105 HydrophobicContact CB-CB 4.17Å; R69-A105 HydrophobicContact CG-CB 4.15Å; V70-A105 PolarHBondContact N-O 3.33Å
106I90.6Very high86.6Confident16 Ų1656.2 Ų56.28%0.08231%0.313CS..EExtended strand (participates in β ladder)trans-110.4126.8-174.5-58.9164.6000109.7V70 V89 H90 L104 A108V70-I106 HydrophobicContact CG1-CB 4.39Å; V70-I106 HydrophobicContact CG1-CG1 3.95Å; V70-I106 HydrophobicContact CG1-CG2 4.45Å; V70-I106 CarbonylContact O-C 3.39Å; V70-I106 WeakPolarHBondContact O-CA 3.19Å; V89-I106 HydrophobicContact CB-CD1 4.01Å; V89-I106 HydrophobicContact CB-CG2 4.16Å; V89-I106 HydrophobicContact CG1-CD1 3.64Å; V89-I106 HydrophobicContact CG1-CG1 3.95Å; V89-I106 HydrophobicContact CG1-CG2 4.02Å; V89-I106 HydrophobicContact CG2-CG2 4Å; H90-I106 WeakPolarHBondContact CD2-CD1 3.29Å; H90-I106 WeakPolarHBondContact NE2-CD1 3.13Å; L104-I106 HydrophobicContact CD2-CD1 3.95Å; L104-I106 HydrophobicContact CD2-CG1 3.76Å; L104-I106 HydrophobicContact CG-CD1 4.37Å; L104-I106 HydrophobicContact CG-CG1 3.8Å; I106-A108 HydrophobicContact CG2-CB 4.24Å
107Q91.2Very high86.6Confident27 Ų2757.8 Ų57.813%0.12632%0.323CS..EExtended strand (participates in β ladder)trans-116.595.5168.8-71.6173.9-56.300108.7V70 A71 V72 D121V70-Q107 PolarHBondContact O-N 3.37Å; A71-Q107 CarbonylContact C-O 3.59Å; A71-Q107 WeakPolarHBondContact CA-O 3.45Å; A71-Q107 HydrophobicContact CB-CB 4.04Å; V72-Q107 PolarHBondContact N-O 3.45Å; Q107-D121 VanDerWaalsContact NE2-CB 3.34Å; Q107-D121 PolarHBondContact NE2-O 3.05Å; Q107-D121 PolarHBondContact NE2-OD2 3.47Å
108A92.1Very high86.5Confident12 Ų1258.9 Ų58.910%0.09934%0.335CS..EExtended strand (participates in β ladder)trans-100.1104.8179.300000111.2V72 F77 R85 I106V72-A108 HydrophobicContact CG1-CB 4.06Å; V72-A108 WeakPolarHBondContact O-CA 3.34Å; F77-A108 HydrophobicContact CD1-CB 4.49Å; F77-A108 HydrophobicContact CD2-CB 4.16Å; F77-A108 HydrophobicContact CE1-CB 4.26Å; F77-A108 HydrophobicContact CE2-CB 3.92Å; F77-A108 HydrophobicContact CG-CB 4.43Å; F77-A108 HydrophobicContact CZ-CB 3.95Å; R85-A108 HydrophobicContact CB-CB 3.68Å; R85-A108 HydrophobicContact CG-CB 4.43Å; R85-A108 PolarHBondContact NH1-O 3.42Å; I106-A108 HydrophobicContact CG2-CB 4.24Å
109R91.8Very high86.2Confident37 Ų3761.3 Ų61.314%0.1433%0.331CS..EExtended strand (participates in β ladder)trans-115.8154-178.1-65.1-169179.8172.37.4111.3V72 V73 S74 F77 Q113 N117 Q119 D121V72-R109 PolarHBondContact O-N 3.32Å; V73-R109 VanDerWaalsContact CA-O 3.28Å; V73-R109 WeakPolarHBondContact CA-O 3.21Å; V73-R109 HydrophobicContact CG2-CB 4.46Å; S74-R109 PolarHBondContact N-O 3.38Å; F77-R109 WeakPolarHBondContact CD2-O 3.34Å; R109-Q113 HydrophobicContact CB-CB 4.31Å; R109-N117 PolarHBondContact NH1-O 3.48Å; R109-Q119 PolarHBondContact NH1-O 3Å; R109-Q119 PolarHBondContact NH2-O 3.33Å; R109-Q119 VanDerWaalsContact NH2-O 3.1Å; R109-D121 IonicContact NH2-OD1 2.82Å; R109-D121 IonicContact NH2-OD2 3.77Å; R109-D121 PolarHBondContact NH2-OD2 3.46Å; R109-D121 VanDerWaalsContact NH2-OD2 3.08Å
110T93.4Very high85.7Confident10 Ų1060.9 Ų60.96%0.06132%0.317CS..  trans-82.6158.4170.163.40000110.3F77 E78 A112 Q113 W114F77-T110 HydrophobicContact CB-CG2 4.07Å; E78-T110 HydrophobicContact CG-CG2 3.76Å; T110-A112 PolarHBondContact O-N 3.16Å; T110-Q113 PolarHBondContact O-N 3.05Å; T110-Q113 VanDerWaalsContact O-N 3.08Å; T110-Q113 VanDerWaalsContact OG1-CG 3.26Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.41Å; T110-Q113 PolarHBondContact OG1-N 2.92Å; T110-W114 PolarHBondContact O-N 3.21Å
111P91.4Very high85.1Confident5 Ų563 Ų633%0.03233%0.325CS..Hα-helixtrans-57-35.8175.7-24.834.4000112.4E47 V73 W114 R115E47-P111 WeakPolarHBondContact OE1-CB 3.44Å; E47-P111 WeakPolarHBondContact OE1-CG 3.36Å; V73-P111 HydrophobicContact CG1-CB 4.31Å; V73-P111 HydrophobicContact CG1-CG 4.19Å; P111-W114 PolarHBondContact O-N 3.37Å; P111-R115 WeakPolarHBondContact O-CG 3.45Å; P111-R115 PolarHBondContact O-N 2.99Å
112A90.7Very high84.1Confident54 Ų5468 Ų6845%0.44636%0.356SS..Hα-helixtrans-62.2-47.8173.800000112.3T110 W114 R115 E116T110-A112 PolarHBondContact O-N 3.16Å; A112-W114 VanDerWaalsContact C-N 3.3Å; A112-W114 PolarHBondContact O-N 2.94Å; A112-R115 PolarHBondContact O-N 3.49Å; A112-E116 PolarHBondContact O-N 2.82Å
113Q89.3Confident83.2Confident81 Ų8164.2 Ų64.238%0.37935%0.346SS..Hα-helixtrans-63.2-36.4177-73.1174-20.300112R109 T110 E116 N117R109-Q113 HydrophobicContact CB-CB 4.31Å; T110-Q113 PolarHBondContact O-N 3.05Å; T110-Q113 VanDerWaalsContact O-N 3.08Å; T110-Q113 VanDerWaalsContact OG1-CG 3.26Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.41Å; T110-Q113 PolarHBondContact OG1-N 2.92Å; Q113-E116 PolarHBondContact O-N 3.24Å; Q113-N117 PolarHBondContact O-N 3.13Å
114W89.9Confident82.1Confident42 Ų4267.3 Ų67.316%0.15936%0.363CS..Hα-helixtrans-67.8-39.2178.1-173.2-106.7000113V48 V73 T110 P111 A112 E116 N117 S118 L120V48-W114 HydrophobicContact CG1-CZ2 4.1Å; V73-W114 HydrophobicContact CG1-CB 3.69Å; V73-W114 HydrophobicContact CG1-CG 4.12Å; V73-W114 HydrophobicContact CG2-CB 3.99Å; V73-W114 HydrophobicContact CG2-CD2 3.65Å; V73-W114 HydrophobicContact CG2-CE3 3.69Å; V73-W114 HydrophobicContact CG2-CG 3.8Å; V73-W114 HydrophobicContact CG2-CZ3 4.38Å; T110-W114 PolarHBondContact O-N 3.21Å; P111-W114 PolarHBondContact O-N 3.37Å; A112-W114 VanDerWaalsContact C-N 3.3Å; A112-W114 PolarHBondContact O-N 2.94Å; W114-E116 VanDerWaalsContact C-N 3.28Å; W114-E116 PolarHBondContact O-N 3Å; W114-N117 CarbonylContact O-C 3.25Å; W114-N117 VanDerWaalsContact O-C 3.25Å; W114-N117 PolarHBondContact O-N 2.81Å; W114-S118 WeakPolarHBondContact CH2-O 3.33Å; W114-S118 PolarHBondContact O-N 2.86Å; W114-L120 HydrophobicContact CH2-CD1 4.44Å; W114-L120 HydrophobicContact CH2-CD2 3.63Å; W114-L120 HydrophobicContact CH2-CG 3.82Å; W114-L120 HydrophobicContact CZ3-CD2 3.45Å; W114-L120 VanDerWaalsContact CZ3-CD2 3.45Å; W114-L120 HydrophobicContact CZ3-CG 4.1Å
115R88.2Confident80.8Confident184 Ų18471.6 Ų71.669%0.69439%0.392SS*.Hα-helixtrans-65.3-33.8175.8-71.7176.6-159.9126.28.9112.3E47 P111 A112E47-R115 IonicContact OE2-NH2 3.59Å; P111-R115 WeakPolarHBondContact O-CG 3.45Å; P111-R115 PolarHBondContact O-N 2.99Å; A112-R115 PolarHBondContact O-N 3.49Å
116E88.1Confident78.8Confident174 Ų17474.9 Ų74.981%0.81341%0.411SS*.Hα-helixtrans-78-41.1177.2-172.6170.6-139.200112A112 Q113 W114A112-E116 PolarHBondContact O-N 2.82Å; Q113-E116 PolarHBondContact O-N 3.24Å; W114-E116 VanDerWaalsContact C-N 3.28Å; W114-E116 PolarHBondContact O-N 3Å
117N84.4Confident77.3Confident67 Ų6782.3 Ų82.336%0.35845%0.45SS..  trans-143.4102.1176.4-174.47.2000111.8R109 Q113 W114 Q119R109-N117 PolarHBondContact NH1-O 3.48Å; Q113-N117 PolarHBondContact O-N 3.13Å; W114-N117 CarbonylContact O-C 3.25Å; W114-N117 VanDerWaalsContact O-C 3.25Å; W114-N117 PolarHBondContact O-N 2.81Å; N117-Q119 VanDerWaalsContact C-N 3.29Å; N117-Q119 VanDerWaalsContact OD1-CB 3.25Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.35Å; N117-Q119 WeakPolarHBondContact OD1-CG 3Å; N117-Q119 PolarHBondContact OD1-N 3.16Å
118S80.6Confident75.4Confident75 Ų7583.8 Ų83.852%0.52447%0.472SS..  trans-86.74.9176.767.10000113.5W114 L120W114-S118 WeakPolarHBondContact CH2-O 3.33Å; W114-S118 PolarHBondContact O-N 2.86Å; S118-L120 PolarHBondContact O-N 3.16Å
119Q77.1Confident73.5Confident141 Ų14187.1 Ų87.166%0.65951%0.508SS*.  trans-75.7118.3178.6-59.4-176.629.100109.7R109 N117R109-Q119 PolarHBondContact NH1-O 3Å; R109-Q119 PolarHBondContact NH2-O 3.33Å; R109-Q119 VanDerWaalsContact NH2-O 3.1Å; N117-Q119 VanDerWaalsContact C-N 3.29Å; N117-Q119 VanDerWaalsContact OD1-CB 3.25Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.35Å; N117-Q119 WeakPolarHBondContact OD1-CG 3Å; N117-Q119 PolarHBondContact OD1-N 3.16Å
120L69.7Low71.5Confident37 Ų3792 Ų9219%0.19454%0.537CS..  trans-76.5122165.8-63.3-178.6000108.6E50 A71 W114 S118 T122E50-L120 HydrophobicContact CB-CD1 4.1Å; E50-L120 VanDerWaalsContact CD-CD1 3.49Å; E50-L120 HydrophobicContact CG-CD1 4.25Å; E50-L120 WeakPolarHBondContact OE2-CD1 3.41Å; A71-L120 HydrophobicContact CB-CD1 3.85Å; A71-L120 HydrophobicContact CB-CD2 3.25Å; A71-L120 HydrophobicContact CB-CG 4.21Å; W114-L120 HydrophobicContact CH2-CD1 4.44Å; W114-L120 HydrophobicContact CH2-CD2 3.63Å; W114-L120 HydrophobicContact CH2-CG 3.82Å; W114-L120 HydrophobicContact CZ3-CD2 3.45Å; W114-L120 VanDerWaalsContact CZ3-CD2 3.45Å; W114-L120 HydrophobicContact CZ3-CG 4.1Å; S118-L120 PolarHBondContact O-N 3.16Å; L120-T122 VanDerWaalsContact C-N 3.31Å; L120-T122 PolarHBondContact O-N 3.1Å; L120-T122 PolarHBondContact O-OG1 3.07Å
121D64.9Low69.2Low102 Ų102101.1 Ų101.155%0.54558%0.576SS.*  trans-60.4100.4172.7-48-58.2000107.3Q107 R109Q107-D121 VanDerWaalsContact NE2-CB 3.34Å; Q107-D121 PolarHBondContact NE2-O 3.05Å; Q107-D121 PolarHBondContact NE2-OD2 3.47Å; R109-D121 IonicContact NH2-OD1 2.82Å; R109-D121 IonicContact NH2-OD2 3.77Å; R109-D121 PolarHBondContact NH2-OD2 3.46Å; R109-D121 VanDerWaalsContact NH2-OD2 3.08Å
122T60.5Low66.8Low112 Ų112110.4 Ų110.469%0.68762%0.616SS**PPolyproline II helixtrans-75.4131.1173.2-61.80000106.3L120L120-T122 VanDerWaalsContact C-N 3.31Å; L120-T122 PolarHBondContact O-N 3.1Å; L120-T122 PolarHBondContact O-OG1 3.07Å
123S56.4Low64.8Low66 Ų66112.9 Ų112.946%0.46264%0.636SS.*PPolyproline II helixtrans-51.3136.1177.2-89.50000109.8R69R69-S123 VanDerWaalsContact NH1-N 3.1Å; R69-S123 PolarHBondContact NH2-OG 3.02Å
124P59.6Low63Low105 Ų105117.1 Ų117.168%0.68266%0.661SS**PPolyproline II helixtrans-51.1141.7173.8-22.430.7000109.4C126P124-C126 PolarHBondContact O-N 2.89Å
125P57.4Low61.2Low116 Ų116118.8 Ų118.875%0.75369%0.691SS**PPolyproline II helixtrans-54.5120.3174.623.3-32.1000107.9L127P125-L127 PolarHBondContact O-N 2.73Å
126C46.7Very low59.6Low110 Ų110116.6 Ų116.674%0.74370%0.698SS**  trans-55.9101.8178.4-67.50000108.6P124 G128P124-C126 PolarHBondContact O-N 2.89Å; C126-G128 PolarHBondContact O-N 2.68Å
127L59.1Low58.6Low172 Ų172117.4 Ų117.490%0.90172%0.718SS**  trans-70.983.7166.4-76164.6000106.5P125 G129P125-L127 PolarHBondContact O-N 2.73Å; L127-G129 PolarHBondContact O-N 3.02Å
128G50.9Low57.3Low57 Ų57120 Ų12059%0.58874%0.736SS**  trans-49110.8177.400000110.7C126 N130C126-G128 PolarHBondContact O-N 2.68Å; G128-N130 PolarHBondContact O-N 3.01Å
129G54.3Low56.1Low83 Ų83122.3 Ų122.386%0.85675%0.748SS**  trans-73.588.4176.100000110.7L127L127-G129 PolarHBondContact O-N 3.02Å
130N48.9Very low54.9Low140 Ų140121.3 Ų121.375%0.74975%0.753SS**  trans-165.377.9157.561.8-20.7000112.3G128G128-N130 PolarHBondContact O-N 3.01Å
131K44Very low54Low201 Ų201126.2 Ų126.287%0.87479%0.785SS**  trans-132.8114155.6-50.9-175.8-166.5179.70107.5
132K42Very low53.3Low199 Ų199127.8 Ų127.887%0.86580%0.8SS**  trans-47.3146.3-177.5-54.7-176.8-166.4-177.60110.9L134K132-L134 PolarHBondContact O-N 3.04Å
133A49.1Very low52.9Low106 Ų106128.8 Ų128.888%0.87681%0.808SS**  trans-44.1114.5157.800000109.1
134L51.8Low52.6Low171 Ų171133.3 Ų133.390%0.89583%0.833SS**  trans-120.9121.6169.6-159.877.3000106.6K132K132-L134 PolarHBondContact O-N 3.04Å
135G52.2Low52.1Low76 Ų76135.5 Ų135.578%0.78484%0.844SS**  trans-59.2148.1-160.600000115.3
136T54.6Low51.6Low138 Ų138137.1 Ų137.185%0.84785%0.852SS**  trans-82.8134161.3-34.70000107.6
137P65.8Low52.1Low192 Ų192139.5 Ų139.5100%1.24786%0.862SS**  trans-65.10-178.728.3-36.5000113.7

Retrieved 137 of 137 residues in 193.6 ms (Link to these results)