A0A087X5Z5_POEFO Loading...

UV excision repair protein RAD23

Multiubiquitin chain receptor involved in modulation of proteasomal degradation. Involved in nucleotide excision repair.

AlphaFold DB , UniProt , Accession A0A087X5Z5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 381 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
1S44.1Very low41.4Very low173 Ų173140.9 Ų140.9100%1.2178%0.782SS**  01070-66.50000110.4
2I39.3Very low41.8Very low160 Ų160149.7 Ų149.782%0.82179%0.794SS**  trans21.3115.9148.6-61.7152.9000117.5
3C40.2Very low41.6Very low114 Ų114145.4 Ų145.477%0.7778%0.778SS**  trans-52.7134.8153.6-73.20000111.4
4F36.6Very low41.7Very low178 Ų178141.9 Ų141.978%0.78177%0.771SS**  trans-132.294.4142.1-136.8-94.1000109.6I6F4-I6 HydrophobicContact CD1-CD1 3.88Å; F4-I6 HydrophobicContact CD1-CG1 3.66Å; F4-I6 HydrophobicContact CE1-CD1 3.59Å; F4-I6 HydrophobicContact CE1-CG1 3.55Å; F4-I6 PolarHBondContact O-N 2.78Å
5S46.3Very low41.8Very low109 Ų109139.9 Ų139.976%0.76278%0.781SS**  trans-64.5114.2155.5-65.90000108.9
6I44.7Very low42.6Very low142 Ų142135.6 Ų135.673%0.72876%0.759SS**  trans-134.9111.2140.2-58.3171.7000103F4F4-I6 HydrophobicContact CD1-CD1 3.88Å; F4-I6 HydrophobicContact CD1-CG1 3.66Å; F4-I6 HydrophobicContact CE1-CD1 3.59Å; F4-I6 HydrophobicContact CE1-CG1 3.55Å; F4-I6 PolarHBondContact O-N 2.78Å
7G36.8Very low44Very low64 Ų64132.3 Ų132.366%0.6675%0.753SS**  cis104.194.849.600000106.7K9G7-K9 PolarHBondContact O-N 3.4Å
8R46.7Very low45.9Very low232 Ų232128.9 Ų128.988%0.87574%0.735SS**  trans-32.9120.6164.1-105.9175.6168.8151.7-2.8112.1
9K38.7Very low48.1Very low178 Ų178124 Ų12477%0.77471%0.706SS**  -138.7105.3129.4-72.9-172.8176.7-163.70103.7G7G7-K9 PolarHBondContact O-N 3.4Å
10S43.1Very low50Low94 Ų94122.4 Ų122.466%0.65769%0.692SS**  cis36.144.941.2-66.70000111.9R12S10-R12 PolarHBondContact O-N 2.89Å
11D39.1Very low51.9Low106 Ų106116.6 Ų116.657%0.56766%0.659SS**  trans-72.978.1146.6-99.9-84.7000107T13D11-T13 WeakPolarHBondContact CB-OG1 3.4Å; D11-T13 PolarHBondContact O-N 3.47Å; D11-T13 WeakPolarHBondContact OD1-CG2 3.06Å; D11-T13 PolarHBondContact OD1-OG1 3Å
12R46.7Very low54.1Low246 Ų246109.8 Ų109.893%0.92861%0.61SS**  trans-80.169.6155.6-159.4-174-150.7-166.35.6104.9S10S10-R12 PolarHBondContact O-N 2.89Å
13T39.1Very low56.6Low94 Ų94102.1 Ų102.158%0.57757%0.571SS**  trans-115.699.4-179.6300000107.2D11D11-T13 WeakPolarHBondContact CB-OG1 3.4Å; D11-T13 PolarHBondContact O-N 3.47Å; D11-T13 WeakPolarHBondContact OD1-CG2 3.06Å; D11-T13 PolarHBondContact OD1-OG1 3Å
14S42.2Very low59Low97 Ų9799.8 Ų99.868%0.67855%0.548SS*.  trans45.5129.6164.5-146.90000117.4V16S14-V16 VanDerWaalsContact O-CG2 3.29Å; S14-V16 WeakPolarHBondContact O-CG2 3.39Å; S14-V16 PolarHBondContact O-N 2.75Å
15A43.6Very low61.5Low112 Ų11291.5 Ų91.593%0.92651%0.512SS*.  trans-66.577.2155.700000107.6
16V55.4Low63.4Low71 Ų7192.2 Ų92.243%0.4351%0.507SS..  trans-70.2125.8172.1-111.50000106.2S14 T18 D36S14-V16 VanDerWaalsContact O-CG2 3.29Å; S14-V16 WeakPolarHBondContact O-CG2 3.39Å; S14-V16 PolarHBondContact O-N 2.75Å; V16-T18 VanDerWaalsContact C-N 3.29Å; V16-T18 PolarHBondContact O-N 3.19Å; V16-D36 WeakPolarHBondContact CB-OD2 3.39Å; V16-D36 WeakPolarHBondContact CG1-OD2 3.1Å
17A64.8Low65.2Low79 Ų7991.6 Ų91.665%0.65350%0.5SS*.  trans-69.890.2177.700000108.2P37A17-P37 WeakPolarHBondContact O-CD 3.43Å
18T78.8Confident67.4Low72 Ų7295.8 Ų95.844%0.44250%0.503SS..  trans-72.4140174.657.10000109.8V16 E34V16-T18 VanDerWaalsContact C-N 3.29Å; V16-T18 PolarHBondContact O-N 3.19Å; T18-E34 WeakPolarHBondContact CB-OE1 3.48Å; T18-E34 HydrophobicContact CG2-CG 4.49Å; T18-E34 PolarHBondContact OG1-OE1 2.93Å
19M87.5Confident69.3Low35 Ų3589 Ų8917%0.17248%0.481CS..EExtended strand (participates in β ladder)trans-116.9145179.3-176.7-170.8151.400109.1I21 I35 I82 E84M19-I21 HydrophobicContact CE-CG1 4.36Å; M19-I35 PolarHBondContact N-O 3.5Å; M19-I35 PolarHBondContact O-N 3.44Å; M19-I35 VanDerWaalsContact O-O 3.12Å; M19-I82 HydrophobicContact CE-CG2 4.35Å; M19-I82 WeakPolarHBondContact CE-O 3.37Å; M19-E84 HydrophobicContact CE-CB 4.2Å; M19-E84 HydrophobicContact CE-CG 3.29Å; M19-E84 VanDerWaalsContact CE-N 3.33Å; M19-E84 HydrophobicContact CG-CG 3.4Å; M19-E84 VanDerWaalsContact CG-CG 3.4Å; M19-E84 WeakPolarHBondContact CG-OE1 3.19Å; M19-E84 HydrophobicContact SD-CG 4.02Å
20Q86.4Confident71.6Confident92 Ų9284.1 Ų84.143%0.4347%0.466SS..EExtended strand (participates in β ladder)trans-93.6116.4176.8-72.3-174.4-16.100110.9E34 E84Q20-E34 HydrophobicContact CG-CG 4.35Å; Q20-E84 PolarHBondContact N-OE1 3.4Å; Q20-E84 VanDerWaalsContact N-OE1 3.1Å; Q20-E84 WeakPolarHBondContact O-CG 3.42Å
21I90.3Very high73.7Confident1 Ų180 Ų801%0.00544%0.437CS..EExtended strand (participates in β ladder)trans-102124.6177.3-56.2179.2000109M19 L23 I33 I35 L44 I77 I82 V88M19-I21 HydrophobicContact CE-CG1 4.36Å; I21-L23 HydrophobicContact CG2-CG 4.46Å; I21-I33 PolarHBondContact N-O 3.15Å; I21-I33 PolarHBondContact O-N 2.99Å; I21-I35 HydrophobicContact CD1-CG2 3.42Å; I21-I35 VanDerWaalsContact CD1-CG2 3.42Å; I21-I35 HydrophobicContact CG1-CG2 4.06Å; I21-L44 HydrophobicContact CD1-CD2 4.1Å; I21-I77 HydrophobicContact CD1-CG2 3.62Å; I21-I82 HydrophobicContact CD1-CG2 4.46Å; I21-I82 HydrophobicContact CG1-CG2 4.41Å; I21-I82 HydrophobicContact CG2-CG2 4Å; I21-V88 HydrophobicContact CG2-CG2 3.76Å
22T91.1Very high76.1Confident29 Ų2981 Ų8118%0.17844%0.438CS..EExtended strand (participates in β ladder)trans-82.4120.6172.7-57.80000109.5T30 I31 F87 V88T22-T30 HydrophobicContact CG2-CG2 3.36Å; T22-I31 CarbonylContact C-O 3.36Å; T22-F87 HydrophobicContact CG2-CB 4.07Å; T22-F87 CarbonylContact O-C 3.51Å; T22-F87 WeakPolarHBondContact O-CA 3.21Å; T22-V88 PolarHBondContact O-N 3.08Å
23L91Very high78.1Confident0 Ų069.2 Ų69.20%039%0.394CS..EExtended strand (participates in β ladder)trans-108.8135.2175.9-70.4133.4000110I21 T30 I31 I33 L44 I48 L64 V88 V90I21-L23 HydrophobicContact CG2-CG 4.46Å; L23-T30 CarbonylContact O-C 3.59Å; L23-T30 WeakPolarHBondContact O-CA 3.25Å; L23-I31 HydrophobicContact CB-CB 4.28Å; L23-I31 PolarHBondContact N-O 2.97Å; L23-I31 PolarHBondContact O-N 3.45Å; L23-I33 HydrophobicContact CD1-CB 3.74Å; L23-I33 HydrophobicContact CD1-CG1 3.29Å; L23-L44 HydrophobicContact CD1-CD1 4.48Å; L23-I48 HydrophobicContact CD1-CD1 3.7Å; L23-I48 HydrophobicContact CD1-CG1 3.8Å; L23-I48 HydrophobicContact CD2-CD1 3.56Å; L23-I48 HydrophobicContact CD2-CG1 4.49Å; L23-I48 HydrophobicContact CG-CD1 4.28Å; L23-L64 HydrophobicContact CD2-CD2 4.1Å; L23-V88 CarbonylContact C-O 3.58Å; L23-V88 WeakPolarHBondContact CA-O 3.31Å; L23-V88 HydrophobicContact CD2-CB 3.93Å; L23-V88 HydrophobicContact CD2-CG1 4.12Å; L23-V88 HydrophobicContact CG-CB 4.45Å; L23-V90 HydrophobicContact CD2-CB 4.42Å
24K90.9Very high80.4Confident64 Ų6469.3 Ų69.328%0.27839%0.388SS..EExtended strand (participates in β ladder)trans-111.9122.5172.9-94.1-172.8160.4-179.30110.3Q29 F87 V88 V89 V90K24-Q29 WeakPolarHBondContact CA-O 3.43Å; K24-F87 HydrophobicContact CB-CD2 3.99Å; K24-F87 HydrophobicContact CD-CB 4.49Å; K24-F87 HydrophobicContact CD-CD1 4.36Å; K24-F87 HydrophobicContact CD-CD2 3.76Å; K24-F87 HydrophobicContact CD-CE2 4.03Å; K24-F87 HydrophobicContact CD-CG 3.94Å; K24-F87 HydrophobicContact CD-CZ 4.45Å; K24-F87 HydrophobicContact CG-CB 4.39Å; K24-F87 HydrophobicContact CG-CD2 4.18Å; K24-F87 HydrophobicContact CG-CG 4.32Å; K24-V88 PolarHBondContact N-O 3.31Å; K24-V89 CarbonylContact O-C 3.55Å; K24-V89 VanDerWaalsContact O-CA 3.23Å; K24-V89 WeakPolarHBondContact O-CA 3.04Å; K24-V90 PolarHBondContact O-N 3.36Å
25T88.5Confident82.5Confident4 Ų465.2 Ų65.23%0.02536%0.358CS..EExtended strand (participates in β ladder)trans-76.6163.4173.9730000110.3Q27 Q28 Q29 I31 F57 V90T25-Q27 PolarHBondContact O-N 2.99Å; T25-Q27 VanDerWaalsContact O-N 3.17Å; T25-Q27 PolarHBondContact OG1-N 3.15Å; T25-Q28 PolarHBondContact O-N 3.46Å; T25-Q29 HydrophobicContact CG2-CB 4.23Å; T25-Q29 PolarHBondContact N-O 3.01Å; T25-Q29 VanDerWaalsContact OG1-CB 3.3Å; T25-Q29 WeakPolarHBondContact OG1-CB 3.48Å; T25-Q29 PolarHBondContact OG1-N 3.48Å; T25-I31 HydrophobicContact CG2-CD1 3.48Å; T25-I31 VanDerWaalsContact CG2-CD1 3.48Å; T25-I31 HydrophobicContact CG2-CG1 4.19Å; T25-F57 HydrophobicContact CG2-CE1 3.83Å; T25-F57 HydrophobicContact CG2-CE2 4.29Å; T25-F57 HydrophobicContact CG2-CZ 3.33Å; T25-V90 HydrophobicContact CG2-CG1 3.9Å
26L85.4Confident84.6Confident125 Ų12561 Ų6165%0.65432%0.32SS*.THydrogen-bonded Turntrans-56.5-28.9172.2-159.399.1000112.2Q28 V90 M91L26-Q28 PolarHBondContact O-N 2.91Å; L26-Q28 VanDerWaalsContact O-N 3.14Å; L26-V90 PolarHBondContact N-O 3.36Å; L26-M91 HydrophobicContact CD1-CE 4.02Å; L26-M91 HydrophobicContact CD1-CG 4.08Å
27Q83.2Confident85.9Confident128 Ų12859.1 Ų59.160%0.59831%0.309SS*.THydrogen-bonded Turntrans-77.614.1176-60.6136.246.700112.9T25 Q29T25-Q27 PolarHBondContact O-N 2.99Å; T25-Q27 VanDerWaalsContact O-N 3.17Å; T25-Q27 PolarHBondContact OG1-N 3.15Å; Q27-Q29 PolarHBondContact O-N 3.48Å; Q27-Q29 VanDerWaalsContact O-N 3.17Å
28Q83.8Confident86.8Confident153 Ų15361.9 Ų61.972%0.71531%0.309SS*.SBendtrans62.517.1-177.6-128.9106102.800114.7T25 L26T25-Q28 PolarHBondContact O-N 3.46Å; L26-Q28 PolarHBondContact O-N 2.91Å; L26-Q28 VanDerWaalsContact O-N 3.14Å
29Q85.4Confident87.2Confident89 Ų8963.1 Ų63.142%0.41631%0.309SS..  trans-84.9129.3179.4-163.8-17881.400110.8K24 T25 Q27K24-Q29 WeakPolarHBondContact CA-O 3.43Å; T25-Q29 HydrophobicContact CG2-CB 4.23Å; T25-Q29 PolarHBondContact N-O 3.01Å; T25-Q29 VanDerWaalsContact OG1-CB 3.3Å; T25-Q29 WeakPolarHBondContact OG1-CB 3.48Å; T25-Q29 PolarHBondContact OG1-N 3.48Å; Q27-Q29 PolarHBondContact O-N 3.48Å; Q27-Q29 VanDerWaalsContact O-N 3.17Å
30T87.5Confident87.3Confident75 Ų7563.9 Ų63.946%0.4632%0.316SS..EExtended strand (participates in β ladder)trans-92133.1178.2-53.10000110.9T22 L23T22-T30 HydrophobicContact CG2-CG2 3.36Å; L23-T30 CarbonylContact O-C 3.59Å; L23-T30 WeakPolarHBondContact O-CA 3.25Å
31I86.9Confident87.5Confident7 Ų759.5 Ų59.54%0.03630%0.295CS..EExtended strand (participates in β ladder)trans-132.5130-177.4-39174.6000107.3T22 L23 T25 I33 R52T22-I31 CarbonylContact C-O 3.36Å; L23-I31 HydrophobicContact CB-CB 4.28Å; L23-I31 PolarHBondContact N-O 2.97Å; L23-I31 PolarHBondContact O-N 3.45Å; T25-I31 HydrophobicContact CG2-CD1 3.48Å; T25-I31 VanDerWaalsContact CG2-CD1 3.48Å; T25-I31 HydrophobicContact CG2-CG1 4.19Å; I31-I33 HydrophobicContact CG2-CD1 3.87Å; I31-I33 HydrophobicContact CG2-CG1 4.17Å; I31-R52 HydrophobicContact CD1-CG 3.53Å; I31-R52 HydrophobicContact CG2-CG 4.45Å
32Q89.5Confident87.4Confident127 Ų12765 Ų6559%0.59332%0.319SS*.EExtended strand (participates in β ladder)trans-102.9120.9174.7-69174.284.800107.9
33I88.8Confident87.3Confident0 Ų064.8 Ų64.80%032%0.32CS..EExtended strand (participates in β ladder)trans-116.5127.6178.2-60.1-63.6000108.4I21 L23 I31 L44 K47 I48 E51I21-I33 PolarHBondContact N-O 3.15Å; I21-I33 PolarHBondContact O-N 2.99Å; L23-I33 HydrophobicContact CD1-CB 3.74Å; L23-I33 HydrophobicContact CD1-CG1 3.29Å; I31-I33 HydrophobicContact CG2-CD1 3.87Å; I31-I33 HydrophobicContact CG2-CG1 4.17Å; I33-L44 HydrophobicContact CB-CD1 4.44Å; I33-L44 HydrophobicContact CG2-CD1 3.98Å; I33-K47 HydrophobicContact CG2-CB 4.09Å; I33-K47 HydrophobicContact CG2-CG 3.59Å; I33-I48 HydrophobicContact CG1-CG1 4.05Å; I33-E51 HydrophobicContact CD1-CB 3.59Å; I33-E51 HydrophobicContact CD1-CG 3.55Å; I33-E51 WeakPolarHBondContact CD1-OE1 3.1Å
34E87.6Confident87.2Confident96 Ų9664.8 Ų64.845%0.44932%0.32SS..EExtended strand (participates in β ladder)trans-89.6117.9175.5-162.3177.611900109.7T18 Q20T18-E34 WeakPolarHBondContact CB-OE1 3.48Å; T18-E34 HydrophobicContact CG2-CG 4.49Å; T18-E34 PolarHBondContact OG1-OE1 2.93Å; Q20-E34 HydrophobicContact CG-CG 4.35Å
35I86.6Confident87.1Confident11 Ų1162.8 Ų62.86%0.05631%0.311CS..EExtended strand (participates in β ladder)trans-143.4155.7-179.1-167.2156.6000111.1M19 I21 Q39 A43 L44 I77M19-I35 PolarHBondContact N-O 3.5Å; M19-I35 PolarHBondContact O-N 3.44Å; M19-I35 VanDerWaalsContact O-O 3.12Å; I21-I35 HydrophobicContact CD1-CG2 3.42Å; I21-I35 VanDerWaalsContact CD1-CG2 3.42Å; I21-I35 HydrophobicContact CG1-CG2 4.06Å; I35-Q39 HydrophobicContact CD1-CB 4.37Å; I35-Q39 HydrophobicContact CG1-CB 4.25Å; I35-A43 HydrophobicContact CD1-CB 4.35Å; I35-L44 HydrophobicContact CB-CD1 4.43Å; I35-L44 HydrophobicContact CD1-CB 3.71Å; I35-L44 HydrophobicContact CD1-CD1 3.96Å; I35-L44 HydrophobicContact CD1-CG 4.41Å; I35-L44 HydrophobicContact CG2-CD1 4.05Å; I35-I77 HydrophobicContact CD1-CD1 3.69Å; I35-I77 HydrophobicContact CG1-CD1 3.94Å; I35-I77 HydrophobicContact CG2-CD1 3.85Å
36D87.4Confident87.1Confident23 Ų2368.7 Ų68.712%0.12334%0.339CS..  trans-79.1134.3175.2-176.3-83.9000111.2V16 E38 Q39V16-D36 WeakPolarHBondContact CB-OD2 3.39Å; V16-D36 WeakPolarHBondContact CG1-OD2 3.1Å; D36-E38 PolarHBondContact O-N 3.28Å; D36-E38 WeakPolarHBondContact OD1-CA 3.05Å; D36-E38 WeakPolarHBondContact OD1-CB 3.41Å; D36-E38 PolarHBondContact OD1-N 2.9Å; D36-Q39 HydrophobicContact CB-CG 3.77Å; D36-Q39 WeakPolarHBondContact O-CB 3.4Å; D36-Q39 PolarHBondContact O-N 3.2Å; D36-Q39 VanDerWaalsContact O-N 3.15Å
37P83.4Confident87.2Confident32 Ų3267.7 Ų67.721%0.20833%0.329CS..THydrogen-bonded Turntrans-69.4-19.2-176.828.7-35.8000113.6A17 Q39 K78A17-P37 WeakPolarHBondContact O-CD 3.43Å; P37-Q39 VanDerWaalsContact C-N 3.29Å; P37-K78 HydrophobicContact CB-CB 4.39Å; P37-K78 VanDerWaalsContact O-CB 3.26Å; P37-K78 WeakPolarHBondContact O-CB 3.48Å; P37-K78 PolarHBondContact O-N 3.12Å
38E83.6Confident87.4Confident137 Ų13761.6 Ų61.664%0.6430%0.301SS*.THydrogen-bonded Turntrans-81.3-12.8176.1-48.5-164.796.300112D36D36-E38 PolarHBondContact O-N 3.28Å; D36-E38 WeakPolarHBondContact OD1-CA 3.05Å; D36-E38 WeakPolarHBondContact OD1-CB 3.41Å; D36-E38 PolarHBondContact OD1-N 2.9Å
39Q85.9Confident87.5Confident98 Ų9856.1 Ų56.146%0.45828%0.275SS..SBendtrans-73.3155.3175-67-83.480.600112.1I35 D36 P37 A43 P76 I77I35-Q39 HydrophobicContact CD1-CB 4.37Å; I35-Q39 HydrophobicContact CG1-CB 4.25Å; D36-Q39 HydrophobicContact CB-CG 3.77Å; D36-Q39 WeakPolarHBondContact O-CB 3.4Å; D36-Q39 PolarHBondContact O-N 3.2Å; D36-Q39 VanDerWaalsContact O-N 3.15Å; P37-Q39 VanDerWaalsContact C-N 3.29Å; Q39-A43 HydrophobicContact CB-CB 4.09Å; Q39-P76 WeakPolarHBondContact O-CA 3.41Å; Q39-I77 HydrophobicContact CB-CD1 4.39Å; Q39-I77 WeakPolarHBondContact O-CD1 3.5Å; Q39-I77 VanDerWaalsContact O-CG1 3.31Å; Q39-I77 WeakPolarHBondContact O-CG1 3.23Å; Q39-I77 PolarHBondContact O-N 3.29Å
40T90.3Very high87.5Confident50 Ų5056 Ų5631%0.30729%0.289SS..BIsolated β-bridgetrans-78.9158.2177.256.70000112.2K42 A43 L44 D73T40-K42 PolarHBondContact O-N 3.33Å; T40-A43 WeakPolarHBondContact O-CB 3.3Å; T40-A43 PolarHBondContact O-N 2.85Å; T40-L44 PolarHBondContact O-N 3.28Å; T40-D73 WeakPolarHBondContact CB-O 3.49Å
41V89.9Confident87.3Confident0 Ų057.9 Ų57.90%029%0.292CS..Hα-helixtrans-59.9-26.2174.5172.30000111.4L44 K45 L64 L71 Q72 T75 I77 Y80V41-L44 WeakPolarHBondContact O-CB 3.26Å; V41-L44 PolarHBondContact O-N 3.11Å; V41-K45 WeakPolarHBondContact O-CG 3.43Å; V41-K45 PolarHBondContact O-N 3.41Å; V41-L64 HydrophobicContact CG1-CD1 4.3Å; V41-L64 HydrophobicContact CG1-CD2 4.45Å; V41-L71 HydrophobicContact CB-CB 4.5Å; V41-L71 HydrophobicContact CG1-CB 3.83Å; V41-L71 HydrophobicContact CG1-CD2 4.48Å; V41-L71 HydrophobicContact CG2-CB 3.94Å; V41-L71 HydrophobicContact CG2-CD2 3.82Å; V41-L71 HydrophobicContact CG2-CG 4.48Å; V41-Q72 VanDerWaalsContact CB-O 3.27Å; V41-Q72 WeakPolarHBondContact CB-O 3.3Å; V41-Q72 WeakPolarHBondContact CG2-O 3.43Å; V41-T75 WeakPolarHBondContact CG2-O 3.26Å; V41-T75 PolarHBondContact N-O 3.25Å; V41-T75 VanDerWaalsContact N-O 3.15Å; V41-I77 HydrophobicContact CG2-CG1 4.26Å; V41-Y80 HydrophobicContact CG2-CD2 4.08Å; V41-Y80 HydrophobicContact CG2-CE2 3.72Å
42K88.9Confident86.8Confident118 Ų11861 Ų6151%0.51330%0.304SS..Hα-helixtrans-57.7-46.2169.4-170.6176.5176177.70112.7T40 L44 K45 E46 D73T40-K42 PolarHBondContact O-N 3.33Å; K42-L44 VanDerWaalsContact C-N 3.29Å; K42-L44 PolarHBondContact O-N 2.85Å; K42-K45 WeakPolarHBondContact O-CB 3.49Å; K42-K45 PolarHBondContact O-N 3.4Å; K42-E46 PolarHBondContact O-N 3.31Å; K42-D73 HydrophobicContact CB-CB 4.04Å; K42-D73 PolarHBondContact N-O 2.9Å
43A89.1Confident86.1Confident23 Ų2356.4 Ų56.419%0.1929%0.291CS..Hα-helixtrans-65.5-35.5177.400000111.4I35 Q39 T40 E46 K47I35-A43 HydrophobicContact CD1-CB 4.35Å; Q39-A43 HydrophobicContact CB-CB 4.09Å; T40-A43 WeakPolarHBondContact O-CB 3.3Å; T40-A43 PolarHBondContact O-N 2.85Å; A43-E46 PolarHBondContact O-N 3.28Å; A43-K47 WeakPolarHBondContact O-CB 3.36Å; A43-K47 PolarHBondContact O-N 2.96Å
44L88.5Confident85.2Confident0 Ų063 Ų630%032%0.319CS..Hα-helixtrans-62.3-43.2172.8-175.351.5000112I21 L23 I33 I35 T40 V41 K42 K47 I48 L64 I77I21-L44 HydrophobicContact CD1-CD2 4.1Å; L23-L44 HydrophobicContact CD1-CD1 4.48Å; I33-L44 HydrophobicContact CB-CD1 4.44Å; I33-L44 HydrophobicContact CG2-CD1 3.98Å; I35-L44 HydrophobicContact CB-CD1 4.43Å; I35-L44 HydrophobicContact CD1-CB 3.71Å; I35-L44 HydrophobicContact CD1-CD1 3.96Å; I35-L44 HydrophobicContact CD1-CG 4.41Å; I35-L44 HydrophobicContact CG2-CD1 4.05Å; T40-L44 PolarHBondContact O-N 3.28Å; V41-L44 WeakPolarHBondContact O-CB 3.26Å; V41-L44 PolarHBondContact O-N 3.11Å; K42-L44 VanDerWaalsContact C-N 3.29Å; K42-L44 PolarHBondContact O-N 2.85Å; L44-K47 PolarHBondContact O-N 3.07Å; L44-I48 HydrophobicContact CD1-CD1 3.98Å; L44-I48 HydrophobicContact CD1-CG1 4.28Å; L44-I48 HydrophobicContact CG-CD1 3.85Å; L44-I48 VanDerWaalsContact O-CD1 3.31Å; L44-I48 WeakPolarHBondContact O-CD1 3.46Å; L44-I48 WeakPolarHBondContact O-CG1 3.29Å; L44-I48 PolarHBondContact O-N 2.91Å; L44-L64 HydrophobicContact CD2-CD2 3.46Å; L44-L64 VanDerWaalsContact CD2-CD2 3.46Å; L44-L64 HydrophobicContact CG-CD2 3.83Å; L44-I77 HydrophobicContact CB-CD1 4.01Å; L44-I77 HydrophobicContact CD2-CD1 4.24Å; L44-I77 HydrophobicContact CD2-CG1 4.42Å
45K88.4Confident84.2Confident22 Ų2266 Ų6610%0.09634%0.339CS..Hα-helixtrans-60-45.9174.8-70.6174.9-176.5-171.30111.9V41 K42 K47 I48 E49 V59 Q62 L64V41-K45 WeakPolarHBondContact O-CG 3.43Å; V41-K45 PolarHBondContact O-N 3.41Å; K42-K45 WeakPolarHBondContact O-CB 3.49Å; K42-K45 PolarHBondContact O-N 3.4Å; K45-K47 VanDerWaalsContact C-N 3.33Å; K45-K47 PolarHBondContact O-N 3.4Å; K45-I48 PolarHBondContact O-N 3.37Å; K45-E49 PolarHBondContact O-N 3.43Å; K45-V59 HydrophobicContact CB-CG1 4.05Å; K45-V59 HydrophobicContact CB-CG2 4.22Å; K45-V59 HydrophobicContact CD-CG1 4.36Å; K45-Q62 VanDerWaalsContact CE-O 3.27Å; K45-Q62 WeakPolarHBondContact CE-O 3.47Å; K45-Q62 HydrophobicContact CG-CB 4.45Å; K45-Q62 HydrophobicContact CG-CG 4.37Å; K45-Q62 PolarHBondContact NZ-O 3.49Å; K45-Q62 VanDerWaalsContact NZ-O 3.09Å; K45-L64 HydrophobicContact CD-CD1 4.04Å; K45-L64 VanDerWaalsContact CE-CD1 3.48Å; K45-L64 HydrophobicContact CG-CD1 3.38Å
46E89Confident83.5Confident128 Ų12869.7 Ų69.760%0.59836%0.358SS*.Hα-helixtrans-64.7-37.9178.1-166.517710000112K42 A43 E49 A50K42-E46 PolarHBondContact O-N 3.31Å; A43-E46 PolarHBondContact O-N 3.28Å; E46-E49 PolarHBondContact O-N 3.42Å; E46-A50 WeakPolarHBondContact O-CB 3.37Å; E46-A50 PolarHBondContact O-N 3.05Å
47K87.8Confident83Confident104 Ų10468.8 Ų68.845%0.45235%0.353SS..Hα-helixtrans-64.7-40.7174.8-157.175.5168.2-1750111.9I33 A43 L44 K45 A50 E51I33-K47 HydrophobicContact CG2-CB 4.09Å; I33-K47 HydrophobicContact CG2-CG 3.59Å; A43-K47 WeakPolarHBondContact O-CB 3.36Å; A43-K47 PolarHBondContact O-N 2.96Å; L44-K47 PolarHBondContact O-N 3.07Å; K45-K47 VanDerWaalsContact C-N 3.33Å; K45-K47 PolarHBondContact O-N 3.4Å; K47-A50 PolarHBondContact O-N 2.94Å; K47-E51 WeakPolarHBondContact O-CB 3.38Å; K47-E51 PolarHBondContact O-N 3.41Å
48I87.7Confident83.1Confident1 Ų168.8 Ų68.81%0.00535%0.353CS..Hα-helixtrans-65.1-42.8174.9-67.5159.5000110.5L23 I33 L44 K45 A50 E51 R52 F57 L64L23-I48 HydrophobicContact CD1-CD1 3.7Å; L23-I48 HydrophobicContact CD1-CG1 3.8Å; L23-I48 HydrophobicContact CD2-CD1 3.56Å; L23-I48 HydrophobicContact CD2-CG1 4.49Å; L23-I48 HydrophobicContact CG-CD1 4.28Å; I33-I48 HydrophobicContact CG1-CG1 4.05Å; L44-I48 HydrophobicContact CD1-CD1 3.98Å; L44-I48 HydrophobicContact CD1-CG1 4.28Å; L44-I48 HydrophobicContact CG-CD1 3.85Å; L44-I48 VanDerWaalsContact O-CD1 3.31Å; L44-I48 WeakPolarHBondContact O-CD1 3.46Å; L44-I48 WeakPolarHBondContact O-CG1 3.29Å; L44-I48 PolarHBondContact O-N 2.91Å; K45-I48 PolarHBondContact O-N 3.37Å; I48-A50 VanDerWaalsContact C-N 3.31Å; I48-A50 PolarHBondContact O-N 2.84Å; I48-E51 PolarHBondContact O-N 2.92Å; I48-R52 WeakPolarHBondContact O-CB 3.09Å; I48-R52 PolarHBondContact O-N 2.8Å; I48-F57 HydrophobicContact CG2-CB 4.02Å; I48-F57 HydrophobicContact CG2-CD1 4.43Å; I48-F57 HydrophobicContact CG2-CG 4.1Å; I48-L64 HydrophobicContact CD1-CD2 4.11Å
49E85.3Confident83Confident38 Ų3864.3 Ų64.318%0.17834%0.335CS..Hα-helixtrans-59.8-41.9173.8-174179.6108.700111.3K45 E46 G53 K54 V59K45-E49 PolarHBondContact O-N 3.43Å; E46-E49 PolarHBondContact O-N 3.42Å; E49-G53 CarbonylContact O-C 3.49Å; E49-G53 WeakPolarHBondContact O-CA 3.37Å; E49-G53 PolarHBondContact O-N 3.45Å; E49-K54 HydrophobicContact CG-CB 4.03Å; E49-K54 HydrophobicContact CG-CG 4.02Å; E49-K54 WeakPolarHBondContact OE1-CD 3.17Å; E49-K54 VanDerWaalsContact OE1-CE 3.29Å; E49-K54 WeakPolarHBondContact OE1-CE 3.27Å; E49-K54 IonicContact OE1-NZ 2.66Å; E49-V59 HydrophobicContact CB-CG2 4.05Å; E49-V59 WeakPolarHBondContact OE2-CG2 3.37Å; E49-V59 PolarHBondContact OE2-N 2.78Å
50A85.9Confident82.7Confident85 Ų8564.4 Ų64.470%0.70235%0.347SS*.Hα-helixtrans-67.1-39.5178.500000113E46 K47 I48E46-A50 WeakPolarHBondContact O-CB 3.37Å; E46-A50 PolarHBondContact O-N 3.05Å; K47-A50 PolarHBondContact O-N 2.94Å; I48-A50 VanDerWaalsContact C-N 3.31Å; I48-A50 PolarHBondContact O-N 2.84Å
51E83.9Confident82.3Confident115 Ų11562.5 Ų62.554%0.53734%0.336SS..Hα-helixtrans-82.1-40.5-177.5-166.199.572.200112.9I33 K47 I48I33-E51 HydrophobicContact CD1-CB 3.59Å; I33-E51 HydrophobicContact CD1-CG 3.55Å; I33-E51 WeakPolarHBondContact CD1-OE1 3.1Å; K47-E51 WeakPolarHBondContact O-CB 3.38Å; K47-E51 PolarHBondContact O-N 3.41Å; I48-E51 PolarHBondContact O-N 2.92Å
52R76.5Confident82.2Confident74 Ų7462.6 Ų62.628%0.27934%0.337SS..Hα-helixtrans-97.4-11.7-177.3-86.1-71.4-179.7-8710.9114.7I31 I48 F57I31-R52 HydrophobicContact CD1-CG 3.53Å; I31-R52 HydrophobicContact CG2-CG 4.45Å; I48-R52 WeakPolarHBondContact O-CB 3.09Å; I48-R52 PolarHBondContact O-N 2.8Å; R52-F57 HydrophobicContact CB-CD2 3.38Å; R52-F57 HydrophobicContact CB-CE2 3.79Å; R52-F57 HydrophobicContact CB-CG 4.37Å; R52-F57 HydrophobicContact CG-CD2 3.89Å; R52-F57 HydrophobicContact CG-CE2 3.81Å
53G73.4Confident82.3Confident30 Ų3061.8 Ų61.831%0.30933%0.334SS..  trans86.7144.1-178.600000113E49 D55 N56 F57E49-G53 CarbonylContact O-C 3.49Å; E49-G53 WeakPolarHBondContact O-CA 3.37Å; E49-G53 PolarHBondContact O-N 3.45Å; G53-D55 PolarHBondContact O-N 3.48Å; G53-N56 PolarHBondContact O-N 3.3Å; G53-N56 VanDerWaalsContact O-N 3.16Å; G53-F57 PolarHBondContact O-N 3.28Å
54K69.6Low82.3Confident137 Ų13760.7 Ų60.760%0.59633%0.325SS*.THydrogen-bonded Turntrans-61-24.3-177.2-158164.5-163.5176.20114.8E49E49-K54 HydrophobicContact CG-CB 4.03Å; E49-K54 HydrophobicContact CG-CG 4.02Å; E49-K54 WeakPolarHBondContact OE1-CD 3.17Å; E49-K54 VanDerWaalsContact OE1-CE 3.29Å; E49-K54 WeakPolarHBondContact OE1-CE 3.27Å; E49-K54 IonicContact OE1-NZ 2.66Å
55D68.2Low82.4Confident161 Ų16162.1 Ų62.186%0.86133%0.332SS*.THydrogen-bonded Turntrans-71.6-31.9179.2-128.5-93.8000112.5G53G53-D55 PolarHBondContact O-N 3.48Å
56N69.9Low82.6Confident88 Ų8862.1 Ų62.147%0.47133%0.331SS..THydrogen-bonded Turntrans-95.2-39.5-178.9-74.9-66.2000112.5G53 V92G53-N56 PolarHBondContact O-N 3.3Å; G53-N56 VanDerWaalsContact O-N 3.16Å; N56-V92 WeakPolarHBondContact O-CG1 3.5Å
57F78.8Confident82.4Confident4 Ų460.4 Ų60.42%0.01834%0.339CS..  trans-133.376.8-173.9-59.5-89.9000112.3T25 I48 R52 G53 V90 V92T25-F57 HydrophobicContact CG2-CE1 3.83Å; T25-F57 HydrophobicContact CG2-CE2 4.29Å; T25-F57 HydrophobicContact CG2-CZ 3.33Å; I48-F57 HydrophobicContact CG2-CB 4.02Å; I48-F57 HydrophobicContact CG2-CD1 4.43Å; I48-F57 HydrophobicContact CG2-CG 4.1Å; R52-F57 HydrophobicContact CB-CD2 3.38Å; R52-F57 HydrophobicContact CB-CE2 3.79Å; R52-F57 HydrophobicContact CB-CG 4.37Å; R52-F57 HydrophobicContact CG-CD2 3.89Å; R52-F57 HydrophobicContact CG-CE2 3.81Å; G53-F57 PolarHBondContact O-N 3.28Å; F57-V90 HydrophobicContact CD1-CG1 4.18Å; F57-V90 HydrophobicContact CD1-CG2 3.83Å; F57-V90 HydrophobicContact CE1-CG1 3.71Å; F57-V90 HydrophobicContact CE1-CG2 4.13Å; F57-V92 HydrophobicContact CB-CG1 4.18Å; F57-V92 HydrophobicContact CD1-CG1 3.31Å; F57-V92 HydrophobicContact CE1-CG1 3.89Å; F57-V92 HydrophobicContact CG-CG1 4.02Å
58P84.5Confident82.2Confident31 Ų3158.9 Ų58.920%0.20135%0.353CS..  trans-70.4131.9173.728.2-33.6000110.9S60 G61 Q62P58-S60 PolarHBondContact O-N 3.47Å; P58-S60 VanDerWaalsContact O-N 3.1Å; P58-G61 PolarHBondContact O-N 2.91Å; P58-Q62 WeakPolarHBondContact O-CB 3.38Å; P58-Q62 PolarHBondContact O-N 2.79Å; P58-Q62 VanDerWaalsContact O-N 3.12Å
59V80.7Confident82.2Confident43 Ų4366 Ų6626%0.26138%0.384SS..G310 helixtrans-52.8-37.2-179.2174.90000112.6K45 E49 G61 Q62K45-V59 HydrophobicContact CB-CG1 4.05Å; K45-V59 HydrophobicContact CB-CG2 4.22Å; K45-V59 HydrophobicContact CD-CG1 4.36Å; E49-V59 HydrophobicContact CB-CG2 4.05Å; E49-V59 WeakPolarHBondContact OE2-CG2 3.37Å; E49-V59 PolarHBondContact OE2-N 2.78Å; V59-G61 VanDerWaalsContact C-N 3.33Å; V59-G61 PolarHBondContact O-N 3.2Å; V59-Q62 PolarHBondContact O-N 3.22Å
60S80.9Confident82.4Confident101 Ų10168.7 Ų68.771%0.70640%0.399SS*.G310 helixtrans-66.8-28.9179.8-58.30000114.1P58P58-S60 PolarHBondContact O-N 3.47Å; P58-S60 VanDerWaalsContact O-N 3.1Å
61G82.3Confident82.6Confident9 Ų964.8 Ų64.89%0.09337%0.366CS..G310 helixtrans-99.2-6.3179.300000113.4P58 V59 V92 S93P58-G61 PolarHBondContact O-N 2.91Å; V59-G61 VanDerWaalsContact C-N 3.33Å; V59-G61 PolarHBondContact O-N 3.2Å; G61-V92 WeakPolarHBondContact O-CA 3.43Å; G61-S93 PolarHBondContact O-N 3.46Å
62Q87.7Confident82.8Confident3 Ų364.5 Ų64.51%0.01437%0.365CS..EExtended strand (participates in β ladder)trans-85.1118.5-169.3-165.8177.1-36.200112.3K45 P58 V59 L64 V90 M91K45-Q62 VanDerWaalsContact CE-O 3.27Å; K45-Q62 WeakPolarHBondContact CE-O 3.47Å; K45-Q62 HydrophobicContact CG-CB 4.45Å; K45-Q62 HydrophobicContact CG-CG 4.37Å; K45-Q62 PolarHBondContact NZ-O 3.49Å; K45-Q62 VanDerWaalsContact NZ-O 3.09Å; P58-Q62 WeakPolarHBondContact O-CB 3.38Å; P58-Q62 PolarHBondContact O-N 2.79Å; P58-Q62 VanDerWaalsContact O-N 3.12Å; V59-Q62 PolarHBondContact O-N 3.22Å; Q62-L64 HydrophobicContact CG-CD1 4.02Å; Q62-V90 HydrophobicContact CG-CG2 3.4Å; Q62-M91 CarbonylContact C-O 3.49Å; Q62-M91 WeakPolarHBondContact CA-O 3.14Å
63K89.2Confident83.4Confident101 Ų10163.7 Ų63.744%0.43937%0.366SS..EExtended strand (participates in β ladder)trans-109.9126.6169.8-61.2-177.2-177.2-179.50108.7I65 V90 M91K63-I65 HydrophobicContact CB-CD1 4.18Å; K63-I65 WeakPolarHBondContact O-CD1 3.39Å; K63-V90 WeakPolarHBondContact O-CA 3.26Å; K63-M91 HydrophobicContact CB-CB 4.35Å; K63-M91 PolarHBondContact N-O 2.93Å; K63-M91 PolarHBondContact O-N 3.29Å
64L90.3Very high84.2Confident0 Ų068.6 Ų68.60%039%0.385CS..EExtended strand (participates in β ladder)trans-99.6133.9171.8-72.183000107.7L23 V41 L44 K45 I48 Q62 I70 L71 V88 V89L23-L64 HydrophobicContact CD2-CD2 4.1Å; V41-L64 HydrophobicContact CG1-CD1 4.3Å; V41-L64 HydrophobicContact CG1-CD2 4.45Å; L44-L64 HydrophobicContact CD2-CD2 3.46Å; L44-L64 VanDerWaalsContact CD2-CD2 3.46Å; L44-L64 HydrophobicContact CG-CD2 3.83Å; K45-L64 HydrophobicContact CD-CD1 4.04Å; K45-L64 VanDerWaalsContact CE-CD1 3.48Å; K45-L64 HydrophobicContact CG-CD1 3.38Å; I48-L64 HydrophobicContact CD1-CD2 4.11Å; Q62-L64 HydrophobicContact CG-CD1 4.02Å; L64-I70 CarbonylContact O-C 3.47Å; L64-I70 WeakPolarHBondContact O-CA 3.39Å; L64-L71 HydrophobicContact CB-CB 4.22Å; L64-L71 HydrophobicContact CB-CD1 3.91Å; L64-L71 HydrophobicContact CB-CD2 4.48Å; L64-L71 HydrophobicContact CB-CG 4.45Å; L64-L71 VanDerWaalsContact O-CD1 3.25Å; L64-L71 WeakPolarHBondContact O-CD1 3.34Å; L64-L71 PolarHBondContact O-N 2.85Å; L64-V88 HydrophobicContact CB-CG1 3.79Å; L64-V88 HydrophobicContact CD2-CG1 4.03Å; L64-V88 HydrophobicContact CG-CG1 4.21Å; L64-V89 CarbonylContact C-O 3.58Å; L64-V89 WeakPolarHBondContact CA-O 3.47Å
65I91.1Very high85Confident29 Ų2963.8 Ų63.815%0.14937%0.367CS..EExtended strand (participates in β ladder)trans-127.2119.1-178.5-53.692.4000108.3K63 K69 I70 V88 V89 M91K63-I65 HydrophobicContact CB-CD1 4.18Å; K63-I65 WeakPolarHBondContact O-CD1 3.39Å; I65-K69 CarbonylContact C-O 3.56Å; I65-K69 VanDerWaalsContact CA-O 3.3Å; I65-K69 WeakPolarHBondContact CA-O 3.3Å; I65-I70 HydrophobicContact CG1-CG1 4.04Å; I65-V88 CarbonylContact O-C 2.98Å; I65-V89 HydrophobicContact CB-CB 4.34Å; I65-V89 WeakPolarHBondContact CD1-O 3.5Å; I65-V89 PolarHBondContact N-O 3.43Å; I65-V89 PolarHBondContact O-N 2.98Å; I65-M91 HydrophobicContact CD1-CB 4.07Å; I65-M91 HydrophobicContact CD1-CE 4.44Å; I65-M91 HydrophobicContact CD1-CG 3.69Å; I65-M91 HydrophobicContact CD1-SD 3.88Å
66Y91.3Very high86Confident22 Ų2258.6 Ų58.69%0.08634%0.342CS..EExtended strand (participates in β ladder)trans-127.2131.5176.9-178.3-108.7000109.7G68 K69 K81 I82 D83 N86 F87 V88Y66-G68 PolarHBondContact O-N 3.33Å; Y66-G68 VanDerWaalsContact O-N 3.07Å; Y66-K69 PolarHBondContact N-O 3.25Å; Y66-K69 PolarHBondContact O-N 3.49Å; Y66-K81 WeakPolarHBondContact CE1-O 3.19Å; Y66-K81 PolarHBondContact OH-O 3.36Å; Y66-I82 HydrophobicContact CD1-CG1 3.93Å; Y66-I82 HydrophobicContact CD2-CG1 4.39Å; Y66-I82 HydrophobicContact CD2-CG2 4.45Å; Y66-I82 HydrophobicContact CE1-CB 4.43Å; Y66-I82 HydrophobicContact CE1-CG1 4.11Å; Y66-I82 HydrophobicContact CE2-CG2 4.14Å; Y66-I82 HydrophobicContact CG-CG1 4.08Å; Y66-D83 PolarHBondContact OH-N 2.9Å; Y66-D83 PolarHBondContact OH-OD2 2.87Å; Y66-N86 HydrophobicContact CE2-CB 3.58Å; Y66-N86 WeakPolarHBondContact OH-CB 3.37Å; Y66-N86 PolarHBondContact OH-ND2 3.01Å; Y66-F87 WeakPolarHBondContact CD2-O 3.42Å; Y66-V88 HydrophobicContact CD2-CG2 3.76Å; Y66-V88 HydrophobicContact CG-CG2 4.3Å
67A85.7Confident86.8Confident92 Ų9254.6 Ų54.676%0.7632%0.32SS*.THydrogen-bonded Turntrans48.536.7-177.800000113.5K69A67-K69 VanDerWaalsContact C-N 3.28Å; A67-K69 PolarHBondContact O-N 2.86Å
68G84.3Confident87.2Confident72 Ų7261 Ų6174%0.74235%0.348SS*.THydrogen-bonded Turntrans78.1-1.4-177.900000115.9Y66Y66-G68 PolarHBondContact O-N 3.33Å; Y66-G68 VanDerWaalsContact O-N 3.07Å
69K86.8Confident87.4Confident150 Ų15065.1 Ų65.165%0.65237%0.369SS*.EExtended strand (participates in β ladder)trans-100.2134.7175.8-67.3-178.4-179.5176.20111.1I65 Y66 A67I65-K69 CarbonylContact C-O 3.56Å; I65-K69 VanDerWaalsContact CA-O 3.3Å; I65-K69 WeakPolarHBondContact CA-O 3.3Å; Y66-K69 PolarHBondContact N-O 3.25Å; Y66-K69 PolarHBondContact O-N 3.49Å; A67-K69 VanDerWaalsContact C-N 3.28Å; A67-K69 PolarHBondContact O-N 2.86Å
70I90.4Very high87.7Confident96 Ų9665.2 Ų65.249%0.49237%0.365SS..EExtended strand (participates in β ladder)trans-78.9123.2172-58.8168.2000108.2L64 I65L64-I70 CarbonylContact O-C 3.47Å; L64-I70 WeakPolarHBondContact O-CA 3.39Å; I65-I70 HydrophobicContact CG1-CG1 4.04Å
71L88.6Confident87.9Confident3 Ų368.4 Ų68.42%0.01637%0.366CS..PPolyproline II helixtrans-76.5130.8179.9-65.877.6000110.3V41 L64 Y80 I82 V88V41-L71 HydrophobicContact CB-CB 4.5Å; V41-L71 HydrophobicContact CG1-CB 3.83Å; V41-L71 HydrophobicContact CG1-CD2 4.48Å; V41-L71 HydrophobicContact CG2-CB 3.94Å; V41-L71 HydrophobicContact CG2-CD2 3.82Å; V41-L71 HydrophobicContact CG2-CG 4.48Å; L64-L71 HydrophobicContact CB-CB 4.22Å; L64-L71 HydrophobicContact CB-CD1 3.91Å; L64-L71 HydrophobicContact CB-CD2 4.48Å; L64-L71 HydrophobicContact CB-CG 4.45Å; L64-L71 VanDerWaalsContact O-CD1 3.25Å; L64-L71 WeakPolarHBondContact O-CD1 3.34Å; L64-L71 PolarHBondContact O-N 2.85Å; L71-Y80 HydrophobicContact CB-CD2 4.49Å; L71-Y80 HydrophobicContact CB-CE1 4.29Å; L71-Y80 HydrophobicContact CB-CE2 4.11Å; L71-Y80 HydrophobicContact CD2-CD2 3.87Å; L71-Y80 HydrophobicContact CD2-CE2 4.28Å; L71-Y80 HydrophobicContact CD2-CG 4Å; L71-Y80 HydrophobicContact CG-CD1 3.99Å; L71-Y80 HydrophobicContact CG-CD2 4.07Å; L71-Y80 HydrophobicContact CG-CE1 4.11Å; L71-Y80 HydrophobicContact CG-CE2 4.17Å; L71-Y80 HydrophobicContact CG-CG 3.97Å; L71-I82 HydrophobicContact CD2-CD1 3.81Å; L71-V88 HydrophobicContact CD1-CG1 4.3Å
72Q89.1Confident88.1Confident109 Ų10968.7 Ų68.751%0.50937%0.365SS..PPolyproline II helixtrans-83.2142.6174.1-64.8-66.5-40.200110.9V41 D74 T75 Y80V41-Q72 VanDerWaalsContact CB-O 3.27Å; V41-Q72 WeakPolarHBondContact CB-O 3.3Å; V41-Q72 WeakPolarHBondContact CG2-O 3.43Å; Q72-D74 PolarHBondContact O-N 3.25Å; Q72-T75 PolarHBondContact O-N 3.4Å; Q72-Y80 WeakPolarHBondContact CB-OH 3.49Å; Q72-Y80 PolarHBondContact N-OH 3.31Å
73D89.5Confident87.8Confident57 Ų5772.8 Ų72.831%0.30539%0.387SS..THydrogen-bonded Turntrans-72-24.7-174.457.7-84.1000114.7T40 K42T40-D73 WeakPolarHBondContact CB-O 3.49Å; K42-D73 HydrophobicContact CB-CB 4.04Å; K42-D73 PolarHBondContact N-O 2.9Å
74D88.5Confident87.6Confident133 Ų13373.1 Ų73.171%0.71139%0.39SS*.THydrogen-bonded Turntrans-80.1-12.1177.4-66.2-72.3000114.2Q72Q72-D74 PolarHBondContact O-N 3.25Å
75T87.6Confident87.4Confident35 Ų3583 Ų8322%0.21543%0.433CS..SBendtrans-95.7139.5-175.9-48.10000110.7V41 Q72 D79 Y80V41-T75 WeakPolarHBondContact CG2-O 3.26Å; V41-T75 PolarHBondContact N-O 3.25Å; V41-T75 VanDerWaalsContact N-O 3.15Å; Q72-T75 PolarHBondContact O-N 3.4Å; T75-D79 HydrophobicContact CG2-CB 3.74Å; T75-Y80 VanDerWaalsContact CB-OH 3.3Å; T75-Y80 WeakPolarHBondContact CB-OH 3.31Å; T75-Y80 HydrophobicContact CG2-CD2 4.26Å; T75-Y80 HydrophobicContact CG2-CE2 3.49Å; T75-Y80 VanDerWaalsContact CG2-CE2 3.49Å; T75-Y80 PolarHBondContact OG1-OH 3.25Å
76P89.6Confident87.2Confident52 Ų5285.1 Ų85.134%0.33845%0.445SS..BIsolated β-bridgetrans-67.6148.1175.527-33.2000112.1Q39 K78 D79 Y80Q39-P76 WeakPolarHBondContact O-CA 3.41Å; P76-K78 PolarHBondContact O-N 3.26Å; P76-D79 HydrophobicContact CG-CB 4.22Å; P76-D79 WeakPolarHBondContact O-CB 3.27Å; P76-D79 PolarHBondContact O-N 3.06Å; P76-D79 VanDerWaalsContact O-N 3.12Å; P76-Y80 WeakPolarHBondContact O-CD2 3.46Å
77I86.9Confident87.1Confident4 Ų488.7 Ų88.72%0.02146%0.461CS..G310 helixtrans-57.8-37.9-178.7-67163.4000111.1I21 I35 Q39 V41 L44 D79 Y80 I82I21-I77 HydrophobicContact CD1-CG2 3.62Å; I35-I77 HydrophobicContact CD1-CD1 3.69Å; I35-I77 HydrophobicContact CG1-CD1 3.94Å; I35-I77 HydrophobicContact CG2-CD1 3.85Å; Q39-I77 HydrophobicContact CB-CD1 4.39Å; Q39-I77 WeakPolarHBondContact O-CD1 3.5Å; Q39-I77 VanDerWaalsContact O-CG1 3.31Å; Q39-I77 WeakPolarHBondContact O-CG1 3.23Å; Q39-I77 PolarHBondContact O-N 3.29Å; V41-I77 HydrophobicContact CG2-CG1 4.26Å; L44-I77 HydrophobicContact CB-CD1 4.01Å; L44-I77 HydrophobicContact CD2-CD1 4.24Å; L44-I77 HydrophobicContact CD2-CG1 4.42Å; I77-D79 VanDerWaalsContact C-N 3.28Å; I77-D79 PolarHBondContact O-N 3.15Å; I77-Y80 PolarHBondContact O-N 2.98Å; I77-I82 HydrophobicContact CB-CD1 4.48Å; I77-I82 HydrophobicContact CG2-CD1 3.6Å
78K86.3Confident87.4Confident139 Ų13984.3 Ų84.360%0.60443%0.425SS*.G310 helixtrans-58.2-32.8177.5-174.5174.5-177.5177.30114.5P37 P76 Y80 K81P37-K78 HydrophobicContact CB-CB 4.39Å; P37-K78 VanDerWaalsContact O-CB 3.26Å; P37-K78 WeakPolarHBondContact O-CB 3.48Å; P37-K78 PolarHBondContact O-N 3.12Å; P76-K78 PolarHBondContact O-N 3.26Å; K78-Y80 VanDerWaalsContact C-N 3.26Å; K78-Y80 PolarHBondContact O-N 3.15Å; K78-K81 PolarHBondContact O-N 3.22Å
79D89.1Confident87.6Confident117 Ų11782.8 Ų82.863%0.62640%0.401SS*.G310 helixtrans-67.3-31.8-177.7-162.7-106.1000111.7T75 P76 I77 K81T75-D79 HydrophobicContact CG2-CB 3.74Å; P76-D79 HydrophobicContact CG-CB 4.22Å; P76-D79 WeakPolarHBondContact O-CB 3.27Å; P76-D79 PolarHBondContact O-N 3.06Å; P76-D79 VanDerWaalsContact O-N 3.12Å; I77-D79 VanDerWaalsContact C-N 3.28Å; I77-D79 PolarHBondContact O-N 3.15Å; D79-K81 PolarHBondContact O-N 3.47Å
80Y86.1Confident87.7Confident45 Ų4575.7 Ų75.718%0.17637%0.37CS..G310 helixtrans-76.9-4179.2-67.1-75.2000114.4V41 L71 Q72 T75 P76 I77 K78 I82V41-Y80 HydrophobicContact CG2-CD2 4.08Å; V41-Y80 HydrophobicContact CG2-CE2 3.72Å; L71-Y80 HydrophobicContact CB-CD2 4.49Å; L71-Y80 HydrophobicContact CB-CE1 4.29Å; L71-Y80 HydrophobicContact CB-CE2 4.11Å; L71-Y80 HydrophobicContact CD2-CD2 3.87Å; L71-Y80 HydrophobicContact CD2-CE2 4.28Å; L71-Y80 HydrophobicContact CD2-CG 4Å; L71-Y80 HydrophobicContact CG-CD1 3.99Å; L71-Y80 HydrophobicContact CG-CD2 4.07Å; L71-Y80 HydrophobicContact CG-CE1 4.11Å; L71-Y80 HydrophobicContact CG-CE2 4.17Å; L71-Y80 HydrophobicContact CG-CG 3.97Å; Q72-Y80 WeakPolarHBondContact CB-OH 3.49Å; Q72-Y80 PolarHBondContact N-OH 3.31Å; T75-Y80 VanDerWaalsContact CB-OH 3.3Å; T75-Y80 WeakPolarHBondContact CB-OH 3.31Å; T75-Y80 HydrophobicContact CG2-CD2 4.26Å; T75-Y80 HydrophobicContact CG2-CE2 3.49Å; T75-Y80 VanDerWaalsContact CG2-CE2 3.49Å; T75-Y80 PolarHBondContact OG1-OH 3.25Å; P76-Y80 WeakPolarHBondContact O-CD2 3.46Å; I77-Y80 PolarHBondContact O-N 2.98Å; K78-Y80 VanDerWaalsContact C-N 3.26Å; K78-Y80 PolarHBondContact O-N 3.15Å; Y80-I82 VanDerWaalsContact C-N 3.28Å; Y80-I82 PolarHBondContact O-N 2.83Å
81K86.4Confident87.5Confident169 Ų16975 Ų7574%0.73537%0.366SS*.THydrogen-bonded Turntrans47.851.6-177.1-58.9-166.9177.8-167.30112.2Y66 K78 D79 D83Y66-K81 WeakPolarHBondContact CE1-O 3.19Å; Y66-K81 PolarHBondContact OH-O 3.36Å; K78-K81 PolarHBondContact O-N 3.22Å; D79-K81 PolarHBondContact O-N 3.47Å; K81-D83 PolarHBondContact O-N 2.91Å
82I85.8Confident87.3Confident14 Ų1477.3 Ų77.37%0.07238%0.38CS..  trans-72128.1175.2-61.2154.3000107.6M19 I21 Y66 L71 I77 Y80 V88M19-I82 HydrophobicContact CE-CG2 4.35Å; M19-I82 WeakPolarHBondContact CE-O 3.37Å; I21-I82 HydrophobicContact CD1-CG2 4.46Å; I21-I82 HydrophobicContact CG1-CG2 4.41Å; I21-I82 HydrophobicContact CG2-CG2 4Å; Y66-I82 HydrophobicContact CD1-CG1 3.93Å; Y66-I82 HydrophobicContact CD2-CG1 4.39Å; Y66-I82 HydrophobicContact CD2-CG2 4.45Å; Y66-I82 HydrophobicContact CE1-CB 4.43Å; Y66-I82 HydrophobicContact CE1-CG1 4.11Å; Y66-I82 HydrophobicContact CE2-CG2 4.14Å; Y66-I82 HydrophobicContact CG-CG1 4.08Å; L71-I82 HydrophobicContact CD2-CD1 3.81Å; I77-I82 HydrophobicContact CB-CD1 4.48Å; I77-I82 HydrophobicContact CG2-CD1 3.6Å; Y80-I82 VanDerWaalsContact C-N 3.28Å; Y80-I82 PolarHBondContact O-N 2.83Å; I82-V88 HydrophobicContact CG1-CG2 4.5Å; I82-V88 HydrophobicContact CG2-CG2 3.98Å
83D82.1Confident86.6Confident89 Ų8974.9 Ų74.948%0.47638%0.375SS..  trans-98.5144174-65.6-88.9000110.3Y66 K81 K85 N86Y66-D83 PolarHBondContact OH-N 2.9Å; Y66-D83 PolarHBondContact OH-OD2 2.87Å; K81-D83 PolarHBondContact O-N 2.91Å; D83-K85 PolarHBondContact O-N 2.99Å; D83-N86 HydrophobicContact CB-CB 4.19Å; D83-N86 WeakPolarHBondContact CB-ND2 3.47Å; D83-N86 PolarHBondContact O-N 3.3Å; D83-N86 PolarHBondContact OD2-ND2 2.91Å
84E85.1Confident85.2Confident109 Ų10982.3 Ų82.351%0.50941%0.405SS..THydrogen-bonded Turntrans-62.1-26.7176.8-59.3-175.8100.900112.3M19 Q20M19-E84 HydrophobicContact CE-CB 4.2Å; M19-E84 HydrophobicContact CE-CG 3.29Å; M19-E84 VanDerWaalsContact CE-N 3.33Å; M19-E84 HydrophobicContact CG-CG 3.4Å; M19-E84 VanDerWaalsContact CG-CG 3.4Å; M19-E84 WeakPolarHBondContact CG-OE1 3.19Å; M19-E84 HydrophobicContact SD-CG 4.02Å; Q20-E84 PolarHBondContact N-OE1 3.4Å; Q20-E84 VanDerWaalsContact N-OE1 3.1Å; Q20-E84 WeakPolarHBondContact O-CG 3.42Å
85K84.2Confident83.4Confident206 Ų20678.6 Ų78.690%0.89640%0.398SS*.THydrogen-bonded Turntrans-78.4-21.2177.4-65.2179.6-178.7171.60113.1D83D83-K85 PolarHBondContact O-N 2.99Å
86N87.6Confident81.3Confident74 Ų7485.1 Ų85.140%0.39643%0.426SS..SBendtrans-96.2168.6179.4-71-44.1000110.2Y66 D83Y66-N86 HydrophobicContact CE2-CB 3.58Å; Y66-N86 WeakPolarHBondContact OH-CB 3.37Å; Y66-N86 PolarHBondContact OH-ND2 3.01Å; D83-N86 HydrophobicContact CB-CB 4.19Å; D83-N86 WeakPolarHBondContact CB-ND2 3.47Å; D83-N86 PolarHBondContact O-N 3.3Å; D83-N86 PolarHBondContact OD2-ND2 2.91Å
87F89.8Confident78.8Confident97 Ų9787.8 Ų87.843%0.42544%0.438SS..EExtended strand (participates in β ladder)trans-121.2146.4-179.360.9-92.2000112.4T22 K24 Y66 V89T22-F87 HydrophobicContact CG2-CB 4.07Å; T22-F87 CarbonylContact O-C 3.51Å; T22-F87 WeakPolarHBondContact O-CA 3.21Å; K24-F87 HydrophobicContact CB-CD2 3.99Å; K24-F87 HydrophobicContact CD-CB 4.49Å; K24-F87 HydrophobicContact CD-CD1 4.36Å; K24-F87 HydrophobicContact CD-CD2 3.76Å; K24-F87 HydrophobicContact CD-CE2 4.03Å; K24-F87 HydrophobicContact CD-CG 3.94Å; K24-F87 HydrophobicContact CD-CZ 4.45Å; K24-F87 HydrophobicContact CG-CB 4.39Å; K24-F87 HydrophobicContact CG-CD2 4.18Å; K24-F87 HydrophobicContact CG-CG 4.32Å; Y66-F87 WeakPolarHBondContact CD2-O 3.42Å; F87-V89 HydrophobicContact CD2-CG2 3.9Å; F87-V89 HydrophobicContact CE2-CG2 3.74Å
88V90.8Very high76.6Confident0 Ų094.8 Ų94.80%047%0.47CS..EExtended strand (participates in β ladder)trans-101.3121.4173.5-176.10000108.4I21 T22 L23 K24 L64 I65 Y66 L71 I82I21-V88 HydrophobicContact CG2-CG2 3.76Å; T22-V88 PolarHBondContact O-N 3.08Å; L23-V88 CarbonylContact C-O 3.58Å; L23-V88 WeakPolarHBondContact CA-O 3.31Å; L23-V88 HydrophobicContact CD2-CB 3.93Å; L23-V88 HydrophobicContact CD2-CG1 4.12Å; L23-V88 HydrophobicContact CG-CB 4.45Å; K24-V88 PolarHBondContact N-O 3.31Å; L64-V88 HydrophobicContact CB-CG1 3.79Å; L64-V88 HydrophobicContact CD2-CG1 4.03Å; L64-V88 HydrophobicContact CG-CG1 4.21Å; I65-V88 CarbonylContact O-C 2.98Å; Y66-V88 HydrophobicContact CD2-CG2 3.76Å; Y66-V88 HydrophobicContact CG-CG2 4.3Å; L71-V88 HydrophobicContact CD1-CG1 4.3Å; I82-V88 HydrophobicContact CG1-CG2 4.5Å; I82-V88 HydrophobicContact CG2-CG2 3.98Å
89V89.7Confident74.5Confident40 Ų4093.7 Ų93.724%0.24248%0.477CS..EExtended strand (participates in β ladder)trans-78.4125.7176.6-179.30000109.1K24 L64 I65 F87K24-V89 CarbonylContact O-C 3.55Å; K24-V89 VanDerWaalsContact O-CA 3.23Å; K24-V89 WeakPolarHBondContact O-CA 3.04Å; L64-V89 CarbonylContact C-O 3.58Å; L64-V89 WeakPolarHBondContact CA-O 3.47Å; I65-V89 HydrophobicContact CB-CB 4.34Å; I65-V89 WeakPolarHBondContact CD1-O 3.5Å; I65-V89 PolarHBondContact N-O 3.43Å; I65-V89 PolarHBondContact O-N 2.98Å; F87-V89 HydrophobicContact CD2-CG2 3.9Å; F87-V89 HydrophobicContact CE2-CG2 3.74Å
90V87.8Confident72.1Confident1 Ų199.8 Ų99.81%0.00649%0.491CS..EExtended strand (participates in β ladder)trans-104.3122.3174.861.20000110.1L23 K24 T25 L26 F57 Q62 K63L23-V90 HydrophobicContact CD2-CB 4.42Å; K24-V90 PolarHBondContact O-N 3.36Å; T25-V90 HydrophobicContact CG2-CG1 3.9Å; L26-V90 PolarHBondContact N-O 3.36Å; F57-V90 HydrophobicContact CD1-CG1 4.18Å; F57-V90 HydrophobicContact CD1-CG2 3.83Å; F57-V90 HydrophobicContact CE1-CG1 3.71Å; F57-V90 HydrophobicContact CE1-CG2 4.13Å; Q62-V90 HydrophobicContact CG-CG2 3.4Å; K63-V90 WeakPolarHBondContact O-CA 3.26Å
91M86.3Confident69.8Low82 Ų82100.6 Ų100.640%0.40451%0.514SS..EExtended strand (participates in β ladder)trans-108.8137.8172.9-69.9-175.7177.500109.8L26 Q62 K63 I65L26-M91 HydrophobicContact CD1-CE 4.02Å; L26-M91 HydrophobicContact CD1-CG 4.08Å; Q62-M91 CarbonylContact C-O 3.49Å; Q62-M91 WeakPolarHBondContact CA-O 3.14Å; K63-M91 HydrophobicContact CB-CB 4.35Å; K63-M91 PolarHBondContact N-O 2.93Å; K63-M91 PolarHBondContact O-N 3.29Å; I65-M91 HydrophobicContact CD1-CB 4.07Å; I65-M91 HydrophobicContact CD1-CE 4.44Å; I65-M91 HydrophobicContact CD1-CG 3.69Å; I65-M91 HydrophobicContact CD1-SD 3.88Å
92V85.6Confident67.6Low51 Ų51102.9 Ų102.931%0.30952%0.524SS..EExtended strand (participates in β ladder)trans-113.6114.4173.8-68.80000108.6N56 F57 G61 K94N56-V92 WeakPolarHBondContact O-CG1 3.5Å; F57-V92 HydrophobicContact CB-CG1 4.18Å; F57-V92 HydrophobicContact CD1-CG1 3.31Å; F57-V92 HydrophobicContact CE1-CG1 3.89Å; F57-V92 HydrophobicContact CG-CG1 4.02Å; G61-V92 WeakPolarHBondContact O-CA 3.43Å; V92-K94 PolarHBondContact O-N 2.96Å
93S74.4Confident65.2Low59 Ų59106.9 Ų106.941%0.41356%0.559SS.*  trans-80.1107.3167.2-570000106.4G61 G95G61-S93 PolarHBondContact O-N 3.46Å; S93-G95 PolarHBondContact O-N 2.77Å
94K60.4Low63Low212 Ų212112 Ų11292%0.92258%0.577SS**  trans-71.471.9174.7-162.6167.2-177.3166.60108.5V92V92-K94 PolarHBondContact O-N 2.96Å
95G50.8Low61.3Low56 Ų56112.4 Ų112.458%0.57759%0.589SS**  trans-112.2103177.300000108.6S93 N97S93-G95 PolarHBondContact O-N 2.77Å; G95-N97 PolarHBondContact O-N 3.34Å
96Q42.2Very low58.8Low171 Ų171107.6 Ų107.680%0.79959%0.588SS**  trans19.890.9157.8-158170.918.900115.9
97N37.8Very low56.6Low109 Ų109108.5 Ų108.558%0.58361%0.605SS**  trans-115.976.4161.2-152.914.4000108.5G95G95-N97 PolarHBondContact O-N 3.34Å
98E40.1Very low54.7Low151 Ų151110 Ų11071%0.70662%0.624SS**  trans-74.6122164-130.1177.996.500107.4R100E98-R100 PolarHBondContact O-N 3.1Å
99P42.2Very low52Low115 Ų115114.8 Ų114.875%0.74766%0.664SS**  trans-68.5104.7168.626.9-29.1000107.6G101P99-G101 PolarHBondContact O-N 2.85Å
100R38.5Very low49.6Very low245 Ų245118.2 Ų118.293%0.92569%0.69SS**  trans-58.592.7162-110178.4177.7178-0.2107.7E98 K102E98-R100 PolarHBondContact O-N 3.1Å; R100-K102 PolarHBondContact O-N 3.37Å
101G38.7Very low47.5Very low63 Ų63123.7 Ų123.765%0.64973%0.726SS**  trans-52.7134.4170.200000109.4P99 A103P99-G101 PolarHBondContact O-N 2.85Å; G101-A103 PolarHBondContact O-N 3.07Å
102K39.4Very low45.7Very low217 Ų217125.9 Ų125.994%0.94375%0.746SS**  trans-51.3102.1171.5-69.2172.2175.9176.70109.7R100R100-K102 PolarHBondContact O-N 3.37Å
103A34.8Very low43.6Very low98 Ų98130.1 Ų130.181%0.8177%0.772SS**  trans-80.7115.9163.600000108.7G101G101-A103 PolarHBondContact O-N 3.07Å
104K35.9Very low41.9Very low197 Ų197132.8 Ų132.886%0.85779%0.79SS**  trans-67.5143.4167.5-171.5179.1179.3-176.10109.3
105P50Low40.8Very low116 Ų116131.4 Ų131.475%0.75379%0.787SS**  trans-84.9163.5-175.433.2-34.6000114.2
106A32.4Very low40.5Very low106 Ų106132.8 Ų132.888%0.87679%0.793SS**  trans89.5132.6172.200000115.5
107A40.9Very low40.7Very low93 Ų93130.9 Ų130.977%0.76980%0.795SS**  cis-163-1787.500000108.6
108P50.8Low41Very low127 Ų127134.9 Ų134.983%0.82581%0.808SS**  trans-98.4157.3-139.839.5-34.1000115.2
109A33.6Very low41Very low101 Ų101133.3 Ų133.384%0.83581%0.81SS**  trans-139.7122156.100000109.3
110S39.2Very low41Very low113 Ų113133.8 Ų133.879%0.7981%0.813SS**PPolyproline II helixtrans-61.3150-173.4-42.30000114.1
111P44.3Very low41.1Very low116 Ų116128.7 Ų128.775%0.75381%0.809SS**PPolyproline II helixtrans-89.3145.8158.833.1-28.9000111
112P46.8Very low41.2Very low127 Ų127134.7 Ų134.783%0.82582%0.821SS**PPolyproline II helixtrans-77.8143.1161.831.4-29.1000110.7
113V41.9Very low40.9Very low140 Ų140131.7 Ų131.785%0.84882%0.815SS**PPolyproline II helixtrans-68.3143.8175.3-85.80000113.4
114S39.3Very low40.9Very low115 Ų115132.6 Ų132.680%0.80482%0.815SS**  trans170.6136.3141.8-92.70000106.9
115E38.1Very low40.7Very low184 Ų184126.3 Ų126.386%0.8681%0.807SS**  cis-166.4138.5-5-178.5165.797.500104.1
116A44.5Very low40.3Very low84 Ų84126.6 Ų126.669%0.69481%0.811SS**  trans-87.2161.2176.200000110.7
117P46.3Very low40.3Very low131 Ų131127.5 Ų127.585%0.85181%0.806SS**  -135152106.923.3-4.8000114.9
118K43Very low40.2Very low194 Ų194128.9 Ų128.984%0.84381%0.81SS**PPolyproline II helixtrans-59152.1179.6-68.4165.8169.2176.50114
119P40.3Very low39.4Very low117 Ų117127.1 Ų127.176%0.7681%0.806SS**PPolyproline II helixtrans-82.4151.7148.126.8-18.5000111.6
120P42.2Very low39.9Very low125 Ų125128.9 Ų128.981%0.81281%0.806SS**PPolyproline II helixtrans-82.8150.6-170.934-33.3000112.8
121V40.6Very low40.1Very low138 Ų138128.4 Ų128.484%0.83680%0.801SS**PPolyproline II helixtrans-100.7130.1161.7-76.10000109.1
122Q40.4Very low39.6Very low190 Ų190130.3 Ų130.389%0.88880%0.803SS**  trans-153.9108150.9-68.5-168.3-22.900104.6
123D32.8Very low39.3Very low153 Ų153129.6 Ų129.682%0.81880%0.801SS**  68.3116.863.4-158.3-89.2000114.9
124S35.3Very low39Very low117 Ų117127.8 Ų127.882%0.81880%0.795SS**  trans138.6114.3156.2-67.20000109
125G32.5Very low38.8Very low66 Ų66130.5 Ų130.568%0.6879%0.794SS**  cis154140.72.600000109.3
126S41.7Very low38.6Very low122 Ų122129.7 Ų129.785%0.85379%0.791SS**  trans78.4136.3155.6-51.90000117.6
127T33.1Very low38.1Very low124 Ų124131.2 Ų131.276%0.76179%0.791SS**  cis-153.7147.42546.40000112.7
128S37.6Very low37.9Very low122 Ų122132 Ų13285%0.85378%0.781SS**  trans47.3142.5137.1-69.70000121
129A34.6Very low37.7Very low90 Ų90128.5 Ų128.574%0.74478%0.778SS**  cis-171.6143-3.300000105.6
130V43.6Very low37.8Very low138 Ų138128.6 Ų128.684%0.83677%0.769SS**  trans-93.5144.7156-138.40000105.7
131P42.5Very low37.8Very low104 Ų104128.2 Ų128.268%0.67577%0.766SS**  -153.3160.296.935.8-15.1000116.7
132I34.2Very low37.5Very low155 Ų155128 Ų12880%0.79576%0.76SS**  trans69.1116.4141.265.9169.3000123.3
133S40.7Very low37.1Very low113 Ų113124.4 Ų124.479%0.7975%0.752SS**  13.8126.7122.4-127.40000120.7
134S34.8Very low37Very low102 Ų102121.9 Ų121.971%0.71375%0.752SS**  163.7116.9129.4-930000107.5
135E35.9Very low37.1Very low171 Ų171120.7 Ų120.780%0.79975%0.749SS**  102.6127.886.1-157165.498.400110.7
136E33.5Very low37Very low168 Ų168123.9 Ų123.979%0.78576%0.755SS**  trans81.4143.1149.1-121.3178.752.100124.7
137V35.4Very low36.9Very low115 Ų115126.8 Ų126.870%0.69776%0.756SS**  trans87.5102.6152.5-137.70000120.9
138K40.6Very low37.3Very low147 Ų147125.3 Ų125.364%0.63975%0.748SS**  7143.9122.1-133.3-170.9160.9152.60116.4E140K138-E140 WeakPolarHBondContact CE-OE2 3.18Å; K138-E140 IonicContact NZ-OE2 3.86Å; K138-E140 PolarHBondContact NZ-OE2 3.24Å
139P39.3Very low37Very low121 Ų121128 Ų12879%0.78675%0.747SS**  -142.4135.58625.7-5.1000114.6
140E42.6Very low37.2Very low120 Ų120132.7 Ų132.756%0.56175%0.753SS**  trans-74.7158.3136-72.416588.300107.8K138K138-E140 WeakPolarHBondContact CE-OE2 3.18Å; K138-E140 IonicContact NZ-OE2 3.86Å; K138-E140 PolarHBondContact NZ-OE2 3.24Å
141P42.1Very low37.1Very low117 Ų117132.3 Ų132.376%0.7675%0.754SS**  -133.2131.79821.2-2.2000111.3
142N34.4Very low36.6Very low132 Ų132131.4 Ų131.471%0.70676%0.755SS**  51.5136.285.4-87.6-4.2000113.6
143T31Very low36.6Very low116 Ų116128.8 Ų128.871%0.71275%0.75SS**  cis-177.4141.3-5.5-58.60000103.2
144A32.4Very low36.1Very low100 Ų100131.9 Ų131.983%0.82675%0.75SS**  trans-170.3123.7144.300000111.1
145A37.5Very low35.9Very low91 Ų91133.4 Ų133.475%0.75276%0.755SS**  trans-65.6159.2174.500000112.5
146T30.4Very low36Very low133 Ų133130.8 Ų130.882%0.81676%0.755SS**  trans-173.7107.8131.9-68.60000109.7
147E38.5Very low35.9Very low184 Ų184127 Ų12786%0.8675%0.747SS**  trans-84.2139.2146172.5171111.700106
148P41.2Very low36.1Very low92 Ų92130 Ų13060%0.59775%0.754SS**  -155.2149.891.336.5-13.9000118.6
149Q31.2Very low35.7Very low179 Ų179129 Ų12984%0.83676%0.756SS**  trans57.1136.3131.6-60.9-179.9-58.900123.3
150Q39.5Very low35.7Very low188 Ų188128.4 Ų128.488%0.87975%0.754SS**  trans-47.4158.8154.4-76.7175.8-4300113.3
151P42.1Very low35.4Very low130 Ų130128.2 Ų128.284%0.84477%0.766SS**  -142.7168.8105.132.4-15000115.2
152A31.6Very low35Very low85 Ų85126.5 Ų126.570%0.70277%0.77SS**  trans-82.5169.1-178.800000114.9
153S33.9Very low35.2Very low100 Ų100126.6 Ų126.670%0.69978%0.775SS**  trans69.7143.2162.747.40000116
154F30.9Very low36.1Very low178 Ų178126.6 Ų126.678%0.78178%0.78SS**  cis-167.613941.522.1-95.9000112.7
155V30.4Very low36.5Very low134 Ų134130.9 Ų130.981%0.81278%0.783SS**  trans23.7144.7143-75.20000125.8
156S37.5Very low36.3Very low116 Ų116129.6 Ų129.681%0.81178%0.778SS**  trans101.3138.1146.3-59.90000117.3
157S31.9Very low37.2Very low88 Ų88131.9 Ų131.962%0.61578%0.784SS**  cis-173.2145.7-11.1-1690000108.2
158Q38.3Very low37.2Very low178 Ų178130.4 Ų130.483%0.83278%0.782SS**  trans55.9143.6145.1-85.6166-31.600120.3
159N33Very low37.5Very low128 Ų128130.3 Ų130.368%0.68479%0.789SS**  cis-168.1142.77.7-164.837.8000104.2
160S38.6Very low38.2Very low108 Ų108126.9 Ų126.976%0.75579%0.785SS**  -177.7133.582.323.20000112.5
161S37.9Very low38.5Very low115 Ų115123.8 Ų123.880%0.80478%0.784SS**  trans-5.3143.1146.9-43.80000117.9
162G32.8Very low38.8Very low81 Ų81124 Ų12484%0.83578%0.783SS**  cis161.6139.41.900000109.5
163V39.1Very low39.6Very low134 Ų134128 Ų12881%0.81279%0.792SS**  trans-159.1121.6140.978.20000108.3
164S50.3Low40.4Very low117 Ų117127 Ų12782%0.81878%0.781SS**  trans-92.1123.3170.5-52.90000107.6
165Q39.5Very low41.7Very low190 Ų190122.3 Ų122.389%0.88877%0.768SS**  trans-163.6125.1155.9-112171.9-23.200110.5
166G34.8Very low43.8Very low64 Ų64118.2 Ų118.266%0.6675%0.752SS**  trans92.880.1155.500000116.9D168G166-D168 PolarHBondContact O-N 3.18Å
167L48.3Very low45.8Very low180 Ų180116.2 Ų116.294%0.94274%0.743SS**  trans-73.998.2152.7-67.3160.9000107.3
168D38.9Very low48Very low153 Ų153118 Ų11882%0.81874%0.742SS**  trans-111.6106.8163.2-63.9-65.7000108.6G166G166-D168 PolarHBondContact O-N 3.18Å
169A46.2Very low50.2Low90 Ų90112 Ų11274%0.74471%0.712SS**  trans-75.315317800000111.6
170S46.5Very low52.8Low108 Ų108110.9 Ų110.976%0.75570%0.702SS**SBendtrans84.657151.4-48.70000118.6
171S46.3Very low55.2Low122 Ų122108.6 Ų108.685%0.85369%0.69SS**SBendtrans-16014.5148.8-86.80000115.6L173S171-L173 VanDerWaalsContact C-N 3.33Å; S171-L173 PolarHBondContact O-N 3.25Å
172T47.1Very low57.6Low134 Ų134104.6 Ų104.682%0.82266%0.659SS**  trans-9217.9-178.4-400000113.5
173L48.4Very low60.3Low170 Ų170101 Ų10189%0.8962%0.62SS**  trans-103.919.2-171.1-67.2178.3000115S171S171-L173 VanDerWaalsContact C-N 3.33Å; S171-L173 PolarHBondContact O-N 3.25Å
174V52.6Low62.8Low78 Ų7899 Ų9947%0.47361%0.608SS.*SBendtrans-125.2120.4161.8177.30000107G176 N205V174-G176 PolarHBondContact O-N 3.07Å; V174-N205 HydrophobicContact CG1-CB 4.45Å
175T58.1Low64.7Low81 Ų8199.6 Ų99.650%0.49760%0.598SS.*  trans-49.5124.1-161.437.10000113.8A177 E178 Y179T175-A177 PolarHBondContact O-N 2.77Å; T175-A177 VanDerWaalsContact O-N 3.15Å; T175-E178 PolarHBondContact O-N 2.76Å; T175-E178 WeakPolarHBondContact OG1-CB 3.49Å; T175-Y179 PolarHBondContact O-N 3.09Å
176G72.9Confident67Low47 Ų4790.6 Ų90.649%0.48556%0.556SS.*Hα-helixtrans-52.9-36.5178.200000113.6V174 Y179 E180V174-G176 PolarHBondContact O-N 3.07Å; G176-Y179 WeakPolarHBondContact O-CB 3.42Å; G176-Y179 PolarHBondContact O-N 3.29Å; G176-E180 WeakPolarHBondContact O-CB 3.19Å; G176-E180 VanDerWaalsContact O-CG 3.25Å; G176-E180 WeakPolarHBondContact O-CG 3.43Å; G176-E180 PolarHBondContact O-N 3.24Å
177A80.4Confident69.7Low75 Ų7591 Ų9162%0.6254%0.542SS*.Hα-helixtrans-68.2-36.2176.600000113.6T175 E180 A181T175-A177 PolarHBondContact O-N 2.77Å; T175-A177 VanDerWaalsContact O-N 3.15Å; A177-E180 PolarHBondContact O-N 2.96Å; A177-A181 PolarHBondContact O-N 2.7Å
178E78.2Confident71.7Confident125 Ų12587.5 Ų87.558%0.58453%0.533SS*.Hα-helixtrans-75.6-35.8178.6-156.812375.300110.6T175 A181 M182T175-E178 PolarHBondContact O-N 2.76Å; T175-E178 WeakPolarHBondContact OG1-CB 3.49Å; E178-A181 PolarHBondContact O-N 3.43Å; E178-M182 WeakPolarHBondContact O-CE 3.08Å; E178-M182 WeakPolarHBondContact O-CG 3.46Å; E178-M182 PolarHBondContact O-N 3.06Å
179Y84.6Confident73.9Confident53 Ų5385.5 Ų85.521%0.20852%0.52CS..Hα-helixtrans-60-45.3168.9-176.6-106.3000111.9T175 G176 M182 L183 V197 L200 N205T175-Y179 PolarHBondContact O-N 3.09Å; G176-Y179 WeakPolarHBondContact O-CB 3.42Å; G176-Y179 PolarHBondContact O-N 3.29Å; Y179-M182 PolarHBondContact O-N 2.96Å; Y179-L183 HydrophobicContact CD1-CD1 3.43Å; Y179-L183 VanDerWaalsContact CD1-CD1 3.43Å; Y179-L183 HydrophobicContact CE1-CD1 3.1Å; Y179-L183 HydrophobicContact CE1-CG 4.42Å; Y179-L183 HydrophobicContact CE2-CD1 4.27Å; Y179-L183 HydrophobicContact CG-CD1 4.13Å; Y179-L183 WeakPolarHBondContact O-CB 3.43Å; Y179-L183 WeakPolarHBondContact O-CD1 3.4Å; Y179-L183 PolarHBondContact O-N 2.94Å; Y179-V197 HydrophobicContact CE1-CG2 4.49Å; Y179-V197 VanDerWaalsContact OH-CA 3.26Å; Y179-V197 WeakPolarHBondContact OH-CA 3.39Å; Y179-V197 WeakPolarHBondContact OH-CB 3.25Å; Y179-V197 VanDerWaalsContact OH-CG1 3.3Å; Y179-V197 WeakPolarHBondContact OH-CG1 3.48Å; Y179-V197 PolarHBondContact OH-O 3.26Å; Y179-L200 HydrophobicContact CD2-CD2 3.52Å; Y179-L200 HydrophobicContact CD2-CG 4.15Å; Y179-L200 HydrophobicContact CE2-CB 4.05Å; Y179-L200 HydrophobicContact CE2-CD2 3.38Å; Y179-L200 HydrophobicContact CE2-CG 3.76Å; Y179-L200 HydrophobicContact CG-CD2 4.45Å; Y179-N205 VanDerWaalsContact CD2-OD1 3.29Å; Y179-N205 WeakPolarHBondContact CD2-OD1 3.48Å
180E86.3Confident75.9Confident103 Ų10384.5 Ų84.548%0.48152%0.519SS..Hα-helixtrans-65.6-35.9176.2-75-177.3108.200113G176 A177 L183 T184G176-E180 WeakPolarHBondContact O-CB 3.19Å; G176-E180 VanDerWaalsContact O-CG 3.25Å; G176-E180 WeakPolarHBondContact O-CG 3.43Å; G176-E180 PolarHBondContact O-N 3.24Å; A177-E180 PolarHBondContact O-N 2.96Å; E180-L183 WeakPolarHBondContact O-CB 3.27Å; E180-L183 PolarHBondContact O-N 3.17Å; E180-T184 WeakPolarHBondContact O-CB 3.33Å; E180-T184 PolarHBondContact O-N 2.93Å; E180-T184 PolarHBondContact O-OG1 3.19Å
181A89.1Confident77.9Confident60 Ų6082.9 Ų82.950%0.49650%0.496SS..Hα-helixtrans-64.3-47.2173.700000111.8A177 E178 L183 T184 E185A177-A181 PolarHBondContact O-N 2.7Å; E178-A181 PolarHBondContact O-N 3.43Å; A181-L183 VanDerWaalsContact C-N 3.33Å; A181-L183 PolarHBondContact O-N 3.47Å; A181-T184 PolarHBondContact O-N 2.81Å; A181-E185 PolarHBondContact O-N 2.82Å
182M88.5Confident80Confident31 Ų3183.1 Ų83.115%0.15348%0.484CS..Hα-helixtrans-62.1-40175.2-71.5-175.4-77.300112.2E178 Y179 T184 E185 I186 L200 N205E178-M182 WeakPolarHBondContact O-CE 3.08Å; E178-M182 WeakPolarHBondContact O-CG 3.46Å; E178-M182 PolarHBondContact O-N 3.06Å; Y179-M182 PolarHBondContact O-N 2.96Å; M182-T184 VanDerWaalsContact C-N 3.34Å; M182-T184 PolarHBondContact O-N 2.81Å; M182-E185 PolarHBondContact O-N 2.82Å; M182-I186 WeakPolarHBondContact O-CG1 3.44Å; M182-I186 PolarHBondContact O-N 3.1Å; M182-L200 HydrophobicContact CB-CD2 3.89Å; M182-L200 HydrophobicContact SD-CD1 4.44Å; M182-N205 HydrophobicContact CE-CB 4.29Å
183L90.3Very high81.9Confident5 Ų583.6 Ų83.63%0.02647%0.471CS..Hα-helixtrans-60.5-43.1173.7-99.8149000112.5Y179 E180 A181 M187 R193 V196 V197 L200Y179-L183 HydrophobicContact CD1-CD1 3.43Å; Y179-L183 VanDerWaalsContact CD1-CD1 3.43Å; Y179-L183 HydrophobicContact CE1-CD1 3.1Å; Y179-L183 HydrophobicContact CE1-CG 4.42Å; Y179-L183 HydrophobicContact CE2-CD1 4.27Å; Y179-L183 HydrophobicContact CG-CD1 4.13Å; Y179-L183 WeakPolarHBondContact O-CB 3.43Å; Y179-L183 WeakPolarHBondContact O-CD1 3.4Å; Y179-L183 PolarHBondContact O-N 2.94Å; E180-L183 WeakPolarHBondContact O-CB 3.27Å; E180-L183 PolarHBondContact O-N 3.17Å; A181-L183 VanDerWaalsContact C-N 3.33Å; A181-L183 PolarHBondContact O-N 3.47Å; L183-M187 WeakPolarHBondContact O-CB 3.14Å; L183-M187 PolarHBondContact O-N 2.84Å; L183-R193 HydrophobicContact CD2-CG 3.97Å; L183-V196 HydrophobicContact CD2-CB 3.79Å; L183-V196 HydrophobicContact CD2-CG1 3.54Å; L183-V196 HydrophobicContact CG-CG1 4.01Å; L183-V197 HydrophobicContact CD1-CG2 3.91Å; L183-V197 HydrophobicContact CD2-CG2 3.6Å; L183-V197 HydrophobicContact CG-CG2 4.34Å; L183-L200 HydrophobicContact CG-CD2 4.39Å
184T91Very high83.7Confident92 Ų9282.7 Ų82.756%0.56446%0.462SS*.Hα-helixtrans-66.2-41179.6-57.40000111E180 A181 M182 M187 S188E180-T184 WeakPolarHBondContact O-CB 3.33Å; E180-T184 PolarHBondContact O-N 2.93Å; E180-T184 PolarHBondContact O-OG1 3.19Å; A181-T184 PolarHBondContact O-N 2.81Å; M182-T184 VanDerWaalsContact C-N 3.34Å; M182-T184 PolarHBondContact O-N 2.81Å; T184-M187 PolarHBondContact O-N 2.83Å; T184-S188 WeakPolarHBondContact O-CB 3.47Å; T184-S188 PolarHBondContact O-N 3.01Å
185E90Very high85.4Confident130 Ų13086.2 Ų86.261%0.60747%0.467SS*.Hα-helixtrans-63.9-46.2177.9-173.5163.480.100112.2A181 M182 S188A181-E185 PolarHBondContact O-N 2.82Å; M182-E185 PolarHBondContact O-N 2.82Å; E185-S188 WeakPolarHBondContact O-CB 3.29Å; E185-S188 PolarHBondContact O-N 2.92Å
186I87.9Confident86.9Confident1 Ų182.4 Ų82.41%0.00544%0.443CS..Hα-helixtrans-73-35.3178.5-57.4165.9000111.3M182 S188 M189 Y191 V196 L200 P207 A210 V211 L214M182-I186 WeakPolarHBondContact O-CG1 3.44Å; M182-I186 PolarHBondContact O-N 3.1Å; I186-S188 VanDerWaalsContact C-N 3.26Å; I186-S188 PolarHBondContact O-N 3.07Å; I186-M189 HydrophobicContact CB-CE 4.15Å; I186-M189 HydrophobicContact CG1-CE 4.08Å; I186-M189 HydrophobicContact CG2-CE 4.11Å; I186-M189 WeakPolarHBondContact O-CB 3.15Å; I186-M189 PolarHBondContact O-N 2.91Å; I186-M189 VanDerWaalsContact O-N 3.11Å; I186-Y191 HydrophobicContact CG2-CD2 3.95Å; I186-Y191 HydrophobicContact CG2-CG 4.45Å; I186-V196 HydrophobicContact CB-CG1 3.72Å; I186-V196 HydrophobicContact CB-CG2 4.18Å; I186-V196 HydrophobicContact CD1-CG1 3.96Å; I186-V196 HydrophobicContact CG1-CG1 4.44Å; I186-V196 HydrophobicContact CG2-CB 4.34Å; I186-V196 HydrophobicContact CG2-CG1 3.81Å; I186-V196 HydrophobicContact CG2-CG2 3.58Å; I186-L200 HydrophobicContact CD1-CD1 4.41Å; I186-P207 HydrophobicContact CD1-CB 4.13Å; I186-A210 HydrophobicContact CD1-CB 3.92Å; I186-V211 HydrophobicContact CG1-CG2 4.43Å; I186-V211 HydrophobicContact CG2-CG2 4.3Å; I186-L214 HydrophobicContact CG2-CD1 3.56Å
187M91.6Very high87.7Confident74 Ų7482.7 Ų82.737%0.36544%0.435SS..Hα-helixtrans-63.5-33.3172.7-174.2-174.9-52.100111.8L183 T184 M189 G190 R193L183-M187 WeakPolarHBondContact O-CB 3.14Å; L183-M187 PolarHBondContact O-N 2.84Å; T184-M187 PolarHBondContact O-N 2.83Å; M187-M189 PolarHBondContact O-N 3.48Å; M187-G190 PolarHBondContact O-N 3.35Å; M187-R193 HydrophobicContact CE-CB 3.62Å; M187-R193 HydrophobicContact CE-CG 3.52Å
188S90.4Very high88.1Confident106 Ų10681 Ų8174%0.74142%0.422SS*.THydrogen-bonded Turntrans-64.5-18.9175.2-164.90000113.1T184 E185 I186 G190T184-S188 WeakPolarHBondContact O-CB 3.47Å; T184-S188 PolarHBondContact O-N 3.01Å; E185-S188 WeakPolarHBondContact O-CB 3.29Å; E185-S188 PolarHBondContact O-N 2.92Å; I186-S188 VanDerWaalsContact C-N 3.26Å; I186-S188 PolarHBondContact O-N 3.07Å; S188-G190 VanDerWaalsContact C-N 3.25Å
189M86.4Confident88.6Confident110 Ų11075.1 Ų75.154%0.54239%0.394SS..THydrogen-bonded Turntrans-83.31.4171.6-64-172.6-80.500113.2I186 M187 Y191 V211I186-M189 HydrophobicContact CB-CE 4.15Å; I186-M189 HydrophobicContact CG1-CE 4.08Å; I186-M189 HydrophobicContact CG2-CE 4.11Å; I186-M189 WeakPolarHBondContact O-CB 3.15Å; I186-M189 PolarHBondContact O-N 2.91Å; I186-M189 VanDerWaalsContact O-N 3.11Å; M187-M189 PolarHBondContact O-N 3.48Å; M189-Y191 HydrophobicContact CB-CD2 3.85Å; M189-Y191 HydrophobicContact CB-CE2 3.83Å; M189-V211 HydrophobicContact CE-CG2 3.68Å
190G87.3Confident88.9Confident70 Ų7072.6 Ų72.672%0.72238%0.384SS*.THydrogen-bonded Turntrans94.211.3175.400000114.9M187 S188M187-G190 PolarHBondContact O-N 3.35Å; S188-G190 VanDerWaalsContact C-N 3.25Å
191Y87.7Confident88.9Confident73 Ų7377.6 Ų77.629%0.28640%0.399SS..  trans-85.8143.7176.7-62.3-77.2000111.9I186 M189 L214 L215I186-Y191 HydrophobicContact CG2-CD2 3.95Å; I186-Y191 HydrophobicContact CG2-CG 4.45Å; M189-Y191 HydrophobicContact CB-CD2 3.85Å; M189-Y191 HydrophobicContact CB-CE2 3.83Å; Y191-L214 HydrophobicContact CD1-CB 4.01Å; Y191-L214 HydrophobicContact CD1-CD1 4.06Å; Y191-L214 HydrophobicContact CD1-CD2 4.3Å; Y191-L214 HydrophobicContact CD1-CG 4.35Å; Y191-L214 HydrophobicContact CD2-CD1 4.13Å; Y191-L214 HydrophobicContact CE1-CB 3.98Å; Y191-L214 HydrophobicContact CG-CD1 3.81Å; Y191-L215 WeakPolarHBondContact OH-CD1 3.34Å
192E90.8Very high88.8Confident128 Ų12876.7 Ų76.760%0.59839%0.391SS*.  trans-71.4138.1-177.9-158.8-175.389.900111.8E194 R195 V196E192-E194 VanDerWaalsContact C-N 3.27Å; E192-E194 PolarHBondContact O-N 3.12Å; E192-E194 VanDerWaalsContact O-N 3.15Å; E192-R195 PolarHBondContact O-N 2.93Å; E192-V196 WeakPolarHBondContact O-CG2 3.43Å; E192-V196 PolarHBondContact O-N 2.89Å
193R87.4Confident88.7Confident143 Ų14375.3 Ų75.354%0.5438%0.384SS..Hα-helixtrans-50.9-43.8-174.6-166.6177.2-162.4161.23.4112.9L183 M187 V196 V197L183-R193 HydrophobicContact CD2-CG 3.97Å; M187-R193 HydrophobicContact CE-CB 3.62Å; M187-R193 HydrophobicContact CE-CG 3.52Å; R193-V196 PolarHBondContact O-N 2.85Å; R193-V197 HydrophobicContact CG-CG2 4.45Å; R193-V197 WeakPolarHBondContact O-CB 3.23Å; R193-V197 VanDerWaalsContact O-CG2 3.23Å; R193-V197 WeakPolarHBondContact O-CG2 3.23Å; R193-V197 PolarHBondContact O-N 2.81Å
194E86.8Confident88.6Confident152 Ų15283 Ų8371%0.7142%0.418SS*.Hα-helixtrans-66.9-41.2-179-71-161.579.700112.7E192 V197 A198E192-E194 VanDerWaalsContact C-N 3.27Å; E192-E194 PolarHBondContact O-N 3.12Å; E192-E194 VanDerWaalsContact O-N 3.15Å; E194-V197 PolarHBondContact O-N 3.38Å; E194-A198 WeakPolarHBondContact O-CB 3.22Å; E194-A198 PolarHBondContact O-N 3.24Å
195R87.6Confident88.5Confident152 Ų15281 Ų8157%0.57440%0.404SS*.Hα-helixtrans-64.3-41.9173.6-79.5-162.5178.2-159.71.3111.4E192 A198 A199 L214 I218E192-R195 PolarHBondContact O-N 2.93Å; R195-A198 PolarHBondContact O-N 3.31Å; R195-A199 WeakPolarHBondContact O-CB 3.16Å; R195-A199 PolarHBondContact O-N 2.81Å; R195-L214 HydrophobicContact CB-CD2 3.51Å; R195-I218 HydrophobicContact CB-CD1 4.02Å; R195-I218 HydrophobicContact CG-CD1 4.24Å; R195-I218 WeakPolarHBondContact O-CD1 3.48Å
196V89.8Confident88.5Confident0 Ų078.4 Ų78.40%039%0.394CS..Hα-helixtrans-64.3-44177.1179.40000110.7L183 I186 E192 R193 A198 A199 L200 L214L183-V196 HydrophobicContact CD2-CB 3.79Å; L183-V196 HydrophobicContact CD2-CG1 3.54Å; L183-V196 HydrophobicContact CG-CG1 4.01Å; I186-V196 HydrophobicContact CB-CG1 3.72Å; I186-V196 HydrophobicContact CB-CG2 4.18Å; I186-V196 HydrophobicContact CD1-CG1 3.96Å; I186-V196 HydrophobicContact CG1-CG1 4.44Å; I186-V196 HydrophobicContact CG2-CB 4.34Å; I186-V196 HydrophobicContact CG2-CG1 3.81Å; I186-V196 HydrophobicContact CG2-CG2 3.58Å; E192-V196 WeakPolarHBondContact O-CG2 3.43Å; E192-V196 PolarHBondContact O-N 2.89Å; R193-V196 PolarHBondContact O-N 2.85Å; V196-A198 VanDerWaalsContact C-N 3.35Å; V196-A198 PolarHBondContact O-N 3.35Å; V196-A199 PolarHBondContact O-N 2.77Å; V196-L200 WeakPolarHBondContact O-CB 3.43Å; V196-L200 PolarHBondContact O-N 2.97Å; V196-L214 HydrophobicContact CG2-CD1 4.04Å
197V89.5Confident88.4Confident53 Ų5380 Ų8032%0.32141%0.405SS..Hα-helixtrans-57.3-48.9176.3161.60000110.7Y179 L183 R193 E194 L200 R201Y179-V197 HydrophobicContact CE1-CG2 4.49Å; Y179-V197 VanDerWaalsContact OH-CA 3.26Å; Y179-V197 WeakPolarHBondContact OH-CA 3.39Å; Y179-V197 WeakPolarHBondContact OH-CB 3.25Å; Y179-V197 VanDerWaalsContact OH-CG1 3.3Å; Y179-V197 WeakPolarHBondContact OH-CG1 3.48Å; Y179-V197 PolarHBondContact OH-O 3.26Å; L183-V197 HydrophobicContact CD1-CG2 3.91Å; L183-V197 HydrophobicContact CD2-CG2 3.6Å; L183-V197 HydrophobicContact CG-CG2 4.34Å; R193-V197 HydrophobicContact CG-CG2 4.45Å; R193-V197 WeakPolarHBondContact O-CB 3.23Å; R193-V197 VanDerWaalsContact O-CG2 3.23Å; R193-V197 WeakPolarHBondContact O-CG2 3.23Å; R193-V197 PolarHBondContact O-N 2.81Å; E194-V197 PolarHBondContact O-N 3.38Å; V197-L200 PolarHBondContact O-N 3.1Å; V197-R201 VanDerWaalsContact O-CB 3.27Å; V197-R201 WeakPolarHBondContact O-CB 3.42Å; V197-R201 PolarHBondContact O-N 3.23Å
198A89Confident88.2Confident41 Ų4184.6 Ų84.634%0.33943%0.425SS..Hα-helixtrans-67.8-41.4-179.100000112.1E194 R195 V196 R201 A202 I218E194-A198 WeakPolarHBondContact O-CB 3.22Å; E194-A198 PolarHBondContact O-N 3.24Å; R195-A198 PolarHBondContact O-N 3.31Å; V196-A198 VanDerWaalsContact C-N 3.35Å; V196-A198 PolarHBondContact O-N 3.35Å; A198-R201 PolarHBondContact O-N 3.27Å; A198-A202 VanDerWaalsContact O-CB 3.31Å; A198-A202 WeakPolarHBondContact O-CB 3.4Å; A198-A202 PolarHBondContact O-N 3.47Å; A198-I218 HydrophobicContact CB-CD1 3.91Å; A198-I218 HydrophobicContact CB-CG2 4.12Å
199A89.2Confident88.1Confident0 Ų086.4 Ų86.40%042%0.416CS..Hα-helixtrans-65.9-40.7176.400000111.9R195 V196 R201 A202 S203 A210 L214 I218R195-A199 WeakPolarHBondContact O-CB 3.16Å; R195-A199 PolarHBondContact O-N 2.81Å; V196-A199 PolarHBondContact O-N 2.77Å; A199-R201 VanDerWaalsContact C-N 3.34Å; A199-A202 PolarHBondContact O-N 2.75Å; A199-S203 WeakPolarHBondContact O-CB 3.45Å; A199-S203 PolarHBondContact O-N 3.23Å; A199-S203 PolarHBondContact O-OG 2.91Å; A199-S203 VanDerWaalsContact O-OG 3.1Å; A199-A210 HydrophobicContact CB-CB 4.04Å; A199-A210 WeakPolarHBondContact CB-O 3.38Å; A199-L214 HydrophobicContact CB-CD1 4.41Å; A199-L214 HydrophobicContact CB-CD2 4.06Å; A199-L214 HydrophobicContact CB-CG 3.83Å; A199-I218 HydrophobicContact CB-CD1 3.95Å; A199-I218 HydrophobicContact CB-CG1 3.99Å
200L89.7Confident88.3Confident0 Ų081.2 Ų81.20%039%0.39CS..Hα-helixtrans-71.1-32.6178.8-161.661.7000111.2Y179 M182 L183 I186 V196 V197 S203 F204 N205 A210Y179-L200 HydrophobicContact CD2-CD2 3.52Å; Y179-L200 HydrophobicContact CD2-CG 4.15Å; Y179-L200 HydrophobicContact CE2-CB 4.05Å; Y179-L200 HydrophobicContact CE2-CD2 3.38Å; Y179-L200 HydrophobicContact CE2-CG 3.76Å; Y179-L200 HydrophobicContact CG-CD2 4.45Å; M182-L200 HydrophobicContact CB-CD2 3.89Å; M182-L200 HydrophobicContact SD-CD1 4.44Å; L183-L200 HydrophobicContact CG-CD2 4.39Å; I186-L200 HydrophobicContact CD1-CD1 4.41Å; V196-L200 WeakPolarHBondContact O-CB 3.43Å; V196-L200 PolarHBondContact O-N 2.97Å; V197-L200 PolarHBondContact O-N 3.1Å; L200-S203 WeakPolarHBondContact CA-OG 3.31Å; L200-S203 PolarHBondContact O-OG 2.9Å; L200-F204 PolarHBondContact O-N 3.32Å; L200-N205 WeakPolarHBondContact O-CA 3.17Å; L200-N205 PolarHBondContact O-N 3.37Å; L200-A210 HydrophobicContact CB-CB 4.33Å; L200-A210 HydrophobicContact CD1-CB 3.9Å
201R87.3Confident88.3Confident209 Ų20979.6 Ų79.679%0.78937%0.366SS*.Hα-helixtrans-68.8-43.8170.4-170.7178.4-174.7-1751.5111.8V197 A198 A199 S203 F204V197-R201 VanDerWaalsContact O-CB 3.27Å; V197-R201 WeakPolarHBondContact O-CB 3.42Å; V197-R201 PolarHBondContact O-N 3.23Å; A198-R201 PolarHBondContact O-N 3.27Å; A199-R201 VanDerWaalsContact C-N 3.34Å; R201-S203 VanDerWaalsContact C-N 3.34Å; R201-F204 PolarHBondContact O-N 2.91Å
202A86.4Confident88.3Confident40 Ų4081.3 Ų81.333%0.33138%0.377SS..Hα-helixtrans-70.1-29.7177.300000112.7A198 A199 F204 Y213 I218 P219A198-A202 VanDerWaalsContact O-CB 3.31Å; A198-A202 WeakPolarHBondContact O-CB 3.4Å; A198-A202 PolarHBondContact O-N 3.47Å; A199-A202 PolarHBondContact O-N 2.75Å; A202-F204 VanDerWaalsContact C-N 3.29Å; A202-Y213 HydrophobicContact CB-CD2 4.24Å; A202-Y213 HydrophobicContact CB-CE2 4.3Å; A202-I218 HydrophobicContact CB-CG2 4.09Å; A202-P219 HydrophobicContact CB-CG 4.35Å
203S87.7Confident88.1Confident2 Ų277.9 Ų77.91%0.01436%0.359CS..THydrogen-bonded Turntrans-86.13.6176.675.80000114.4A199 L200 R201 N206A199-S203 WeakPolarHBondContact O-CB 3.45Å; A199-S203 PolarHBondContact O-N 3.23Å; A199-S203 PolarHBondContact O-OG 2.91Å; A199-S203 VanDerWaalsContact O-OG 3.1Å; L200-S203 WeakPolarHBondContact CA-OG 3.31Å; L200-S203 PolarHBondContact O-OG 2.9Å; R201-S203 VanDerWaalsContact C-N 3.34Å; S203-N206 WeakPolarHBondContact CB-O 3.39Å; S203-N206 WeakPolarHBondContact O-CB 3.4Å; S203-N206 PolarHBondContact O-N 2.99Å; S203-N206 PolarHBondContact O-ND2 3.26Å; S203-N206 PolarHBondContact OG-N 2.75Å; S203-N206 PolarHBondContact OG-O 2.93Å
204F87.3Confident88.2Confident168 Ų16871.7 Ų71.774%0.73734%0.336SS*.THydrogen-bonded Turntrans57.150.5-177.5-162.7-99.7000112L200 R201 A202 N206L200-F204 PolarHBondContact O-N 3.32Å; R201-F204 PolarHBondContact O-N 2.91Å; A202-F204 VanDerWaalsContact C-N 3.29Å; F204-N206 PolarHBondContact O-N 3.46Å; F204-N206 PolarHBondContact O-ND2 2.99Å
205N88.1Confident88Confident49 Ų4970.1 Ų70.126%0.26233%0.332SS..SBendtrans59.838.7-180-55.1-69.4000114.4V174 Y179 M182 L200V174-N205 HydrophobicContact CG1-CB 4.45Å; Y179-N205 VanDerWaalsContact CD2-OD1 3.29Å; Y179-N205 WeakPolarHBondContact CD2-OD1 3.48Å; M182-N205 HydrophobicContact CE-CB 4.29Å; L200-N205 WeakPolarHBondContact O-CA 3.17Å; L200-N205 PolarHBondContact O-N 3.37Å
206N90.5Very high87.8Confident75 Ų7568.4 Ų68.440%0.40134%0.338SS..  trans-112121.7175.2-72-85.2000111.1S203 F204 R209 A210S203-N206 WeakPolarHBondContact CB-O 3.39Å; S203-N206 WeakPolarHBondContact O-CB 3.4Å; S203-N206 PolarHBondContact O-N 2.99Å; S203-N206 PolarHBondContact O-ND2 3.26Å; S203-N206 PolarHBondContact OG-N 2.75Å; S203-N206 PolarHBondContact OG-O 2.93Å; F204-N206 PolarHBondContact O-N 3.46Å; F204-N206 PolarHBondContact O-ND2 2.99Å; N206-R209 HydrophobicContact CB-CB 4.17Å; N206-A210 VanDerWaalsContact O-CB 3.26Å; N206-A210 WeakPolarHBondContact O-CB 3.38Å; N206-A210 PolarHBondContact O-N 3.12Å
207P86.4Confident87.3Confident36 Ų3670.5 Ų70.523%0.23436%0.36CS..Hα-helixtrans-69.2-41.6-175.424.6-32.8000113.3I186 R209 A210 V211I186-P207 HydrophobicContact CD1-CB 4.13Å; P207-R209 PolarHBondContact O-N 3.14Å; P207-A210 WeakPolarHBondContact O-CB 3.38Å; P207-A210 PolarHBondContact O-N 2.95Å; P207-V211 WeakPolarHBondContact O-CG2 3.34Å; P207-V211 PolarHBondContact O-N 3.17Å
208H87.9Confident86.7Confident170 Ų17069.8 Ų69.879%0.78735%0.354SS*.Hα-helixtrans-62.9-43.9179.3-70.882.1000112.3V211 E212H208-V211 PolarHBondContact O-N 2.83Å; H208-E212 PolarHBondContact O-N 2.72Å; H208-E212 VanDerWaalsContact O-N 3.08Å
209R88.3Confident85.5Confident144 Ų14470.9 Ų70.954%0.54336%0.358SS..Hα-helixtrans-71.4-31.9174.1-84.9-169.1170.7-173.7-2.8112.9N206 P207 V211 E212 Y213N206-R209 HydrophobicContact CB-CB 4.17Å; P207-R209 PolarHBondContact O-N 3.14Å; R209-V211 VanDerWaalsContact C-N 3.34Å; R209-E212 WeakPolarHBondContact O-CB 3.42Å; R209-E212 PolarHBondContact O-N 2.96Å; R209-Y213 HydrophobicContact CB-CE2 4.47Å; R209-Y213 WeakPolarHBondContact O-CD2 3.44Å; R209-Y213 PolarHBondContact O-N 3.17Å
210A89.9Confident84Confident0 Ų076 Ų760%039%0.394CS..Hα-helixtrans-62.9-43.5174.200000110.6I186 A199 L200 N206 P207 Y213 L214I186-A210 HydrophobicContact CD1-CB 3.92Å; A199-A210 HydrophobicContact CB-CB 4.04Å; A199-A210 WeakPolarHBondContact CB-O 3.38Å; L200-A210 HydrophobicContact CB-CB 4.33Å; L200-A210 HydrophobicContact CD1-CB 3.9Å; N206-A210 VanDerWaalsContact O-CB 3.26Å; N206-A210 WeakPolarHBondContact O-CB 3.38Å; N206-A210 PolarHBondContact O-N 3.12Å; P207-A210 WeakPolarHBondContact O-CB 3.38Å; P207-A210 PolarHBondContact O-N 2.95Å; A210-Y213 PolarHBondContact O-N 3.36Å; A210-L214 WeakPolarHBondContact O-CG 3.29Å; A210-L214 PolarHBondContact O-N 3.31Å
211V88.1Confident81.6Confident36 Ų3679.6 Ų79.622%0.21842%0.419CS..Hα-helixtrans-61.5-44.2173.4176.30000110.8I186 M189 P207 H208 R209 Y213 L214 L215I186-V211 HydrophobicContact CG1-CG2 4.43Å; I186-V211 HydrophobicContact CG2-CG2 4.3Å; M189-V211 HydrophobicContact CE-CG2 3.68Å; P207-V211 WeakPolarHBondContact O-CG2 3.34Å; P207-V211 PolarHBondContact O-N 3.17Å; H208-V211 PolarHBondContact O-N 2.83Å; R209-V211 VanDerWaalsContact C-N 3.34Å; V211-Y213 VanDerWaalsContact C-N 3.33Å; V211-Y213 PolarHBondContact O-N 2.79Å; V211-L214 WeakPolarHBondContact O-CA 3.36Å; V211-L214 WeakPolarHBondContact O-CB 3.13Å; V211-L214 PolarHBondContact O-N 2.89Å; V211-L215 HydrophobicContact CG1-CD1 3.64Å; V211-L215 WeakPolarHBondContact O-CD1 3.5Å; V211-L215 PolarHBondContact O-N 2.85Å
212E86Confident79.7Confident110 Ų11076.3 Ų76.351%0.51443%0.425SS..Hα-helixtrans-58.1-41.8175.6-168.4177.289.900112.8H208 R209 L214 L215 T216H208-E212 PolarHBondContact O-N 2.72Å; H208-E212 VanDerWaalsContact O-N 3.08Å; R209-E212 WeakPolarHBondContact O-CB 3.42Å; R209-E212 PolarHBondContact O-N 2.96Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L215 PolarHBondContact O-N 3.26Å; E212-T216 VanDerWaalsContact O-CB 3.23Å; E212-T216 WeakPolarHBondContact O-CB 3.3Å; E212-T216 PolarHBondContact O-N 3.17Å; E212-T216 PolarHBondContact O-OG1 3.35Å
213Y88Confident77.4Confident56 Ų5679.1 Ų79.122%0.2244%0.437CS..Hα-helixtrans-70.7-26.9173.4-69.7-47.6000113.6A202 R209 A210 V211 L215 G217 I218 P219A202-Y213 HydrophobicContact CB-CD2 4.24Å; A202-Y213 HydrophobicContact CB-CE2 4.3Å; R209-Y213 HydrophobicContact CB-CE2 4.47Å; R209-Y213 WeakPolarHBondContact O-CD2 3.44Å; R209-Y213 PolarHBondContact O-N 3.17Å; A210-Y213 PolarHBondContact O-N 3.36Å; V211-Y213 VanDerWaalsContact C-N 3.33Å; V211-Y213 PolarHBondContact O-N 2.79Å; Y213-L215 VanDerWaalsContact C-N 3.33Å; Y213-G217 CarbonylContact O-C 3.56Å; Y213-G217 WeakPolarHBondContact O-CA 3.47Å; Y213-G217 PolarHBondContact O-N 2.95Å; Y213-I218 PolarHBondContact O-N 3.45Å; Y213-P219 HydrophobicContact CD1-CG 4.22Å; Y213-P219 HydrophobicContact CE1-CG 4.01Å
214L87.8Confident75.6Confident12 Ų1287.8 Ų87.86%0.06348%0.477CS..Hα-helixtrans-70.4-31.8172.6-70.4165.3000112I186 Y191 R195 V196 A199 A210 V211 E212 I218I186-L214 HydrophobicContact CG2-CD1 3.56Å; Y191-L214 HydrophobicContact CD1-CB 4.01Å; Y191-L214 HydrophobicContact CD1-CD1 4.06Å; Y191-L214 HydrophobicContact CD1-CD2 4.3Å; Y191-L214 HydrophobicContact CD1-CG 4.35Å; Y191-L214 HydrophobicContact CD2-CD1 4.13Å; Y191-L214 HydrophobicContact CE1-CB 3.98Å; Y191-L214 HydrophobicContact CG-CD1 3.81Å; R195-L214 HydrophobicContact CB-CD2 3.51Å; V196-L214 HydrophobicContact CG2-CD1 4.04Å; A199-L214 HydrophobicContact CB-CD1 4.41Å; A199-L214 HydrophobicContact CB-CD2 4.06Å; A199-L214 HydrophobicContact CB-CG 3.83Å; A210-L214 WeakPolarHBondContact O-CG 3.29Å; A210-L214 PolarHBondContact O-N 3.31Å; V211-L214 WeakPolarHBondContact O-CA 3.36Å; V211-L214 WeakPolarHBondContact O-CB 3.13Å; V211-L214 PolarHBondContact O-N 2.89Å; E212-L214 VanDerWaalsContact C-N 3.34Å; L214-I218 HydrophobicContact CD2-CD1 4.26Å
215L83.2Confident73.7Confident119 Ų11988.3 Ų88.362%0.62348%0.482SS*.Hα-helixtrans-83.2-40.1176-84.179.2000112.9Y191 V211 E212 Y213Y191-L215 WeakPolarHBondContact OH-CD1 3.34Å; V211-L215 HydrophobicContact CG1-CD1 3.64Å; V211-L215 WeakPolarHBondContact O-CD1 3.5Å; V211-L215 PolarHBondContact O-N 2.85Å; E212-L215 PolarHBondContact O-N 3.26Å; Y213-L215 VanDerWaalsContact C-N 3.33Å
216T83.6Confident71.2Confident116 Ų11690.9 Ų90.971%0.71250%0.504SS*.Hα-helixtrans-93.9-15.5-172-45.70000112.6E212E212-T216 VanDerWaalsContact O-CB 3.23Å; E212-T216 WeakPolarHBondContact O-CB 3.3Å; E212-T216 PolarHBondContact O-N 3.17Å; E212-T216 PolarHBondContact O-OG1 3.35Å
217G78.4Confident68.8Low44 Ų4494.7 Ų94.745%0.45453%0.525SS..  trans104.1133.7-174.600000111.4Y213 P219Y213-G217 CarbonylContact O-C 3.56Å; Y213-G217 WeakPolarHBondContact O-CA 3.47Å; Y213-G217 PolarHBondContact O-N 2.95Å; G217-P219 WeakPolarHBondContact O-CD 3.39Å
218I77.4Confident66.7Low39 Ų3998 Ų9820%0.255%0.546CS..  trans-79.1117.9-177.8-53.2168.1000107.9R195 A198 A199 A202 Y213 L214 S220R195-I218 HydrophobicContact CB-CD1 4.02Å; R195-I218 HydrophobicContact CG-CD1 4.24Å; R195-I218 WeakPolarHBondContact O-CD1 3.48Å; A198-I218 HydrophobicContact CB-CD1 3.91Å; A198-I218 HydrophobicContact CB-CG2 4.12Å; A199-I218 HydrophobicContact CB-CD1 3.95Å; A199-I218 HydrophobicContact CB-CG1 3.99Å; A202-I218 HydrophobicContact CB-CG2 4.09Å; Y213-I218 PolarHBondContact O-N 3.45Å; L214-I218 HydrophobicContact CD2-CD1 4.26Å; I218-S220 PolarHBondContact O-N 3.17Å
219P65.3Low64.5Low63 Ų6396.1 Ų96.141%0.40955%0.549SS..  trans-62.9108.8172.825.8-31.7000108A202 Y213 G217 S221A202-P219 HydrophobicContact CB-CG 4.35Å; Y213-P219 HydrophobicContact CD1-CG 4.22Å; Y213-P219 HydrophobicContact CE1-CG 4.01Å; G217-P219 WeakPolarHBondContact O-CD 3.39Å; P219-S221 VanDerWaalsContact C-N 3.31Å; P219-S221 PolarHBondContact O-N 2.91Å
220S55.8Low62.1Low109 Ų10994 Ų9476%0.76256%0.563SS**SBendtrans-75.389.2179.4-63.60000108I218I218-S220 PolarHBondContact O-N 3.17Å
221S39.8Very low59.4Low75 Ų75103.5 Ų103.552%0.52461%0.607SS.*SBendtrans102.8138.9-175.3-49.60000113.2P219 V223P219-S221 VanDerWaalsContact C-N 3.31Å; P219-S221 PolarHBondContact O-N 2.91Å; S221-V223 PolarHBondContact O-N 3.16Å
222P47Very low57Low140 Ų140106.2 Ų106.291%0.90963%0.633SS**  trans-7066.6156.533.1-33.4000108.4Q224P222-Q224 PolarHBondContact O-N 3.19Å
223V39.7Very low55.3Low98 Ų98106.4 Ų106.459%0.59464%0.644SS**  trans-75104.3160.2-850000106.2S221 E225S221-V223 PolarHBondContact O-N 3.16Å; V223-E225 PolarHBondContact O-N 3.4Å; V223-E225 VanDerWaalsContact O-N 3.12Å
224Q49Very low52.4Low184 Ų184110.3 Ų110.386%0.8667%0.674SS**SBendtrans-47.2112.9144.7-175.7160.7-3.200107.3P222P222-Q224 PolarHBondContact O-N 3.19Å
225E46.9Very low50Low179 Ų179116 Ų11684%0.83671%0.714SS**SBendtrans51.195.6160.4-149.2125.272.200116.7V223V223-E225 PolarHBondContact O-N 3.4Å; V223-E225 VanDerWaalsContact O-N 3.12Å
226S37.3Very low47.4Very low103 Ų103113.9 Ų113.972%0.7272%0.721SS**  trans-160.4119.1159-65.10000111.8
227N38.1Very low45.7Very low156 Ų156114.3 Ų114.383%0.83473%0.726SS**  trans-31.2153.1168.3-136.613.2000116.6
228P42.8Very low43.3Very low106 Ų106118.1 Ų118.169%0.68874%0.741SS**PPolyproline II helixtrans-75.3146.7176.430.6-30.3000112.5
229P42.5Very low41.2Very low129 Ų129124.4 Ų124.484%0.83877%0.769SS**PPolyproline II helixtrans-82118.1168.630.2-29.3000110.8
230A38.5Very low40Very low101 Ų101127.1 Ų127.184%0.83579%0.787SS**PPolyproline II helixtrans-76.4131.1165.700000110.6
231Q33.3Very low39.1Very low199 Ų199127.2 Ų127.293%0.9379%0.785SS**PPolyproline II helixtrans-90130.3156.7-69.9-178.94.600108.4
232A37.1Very low38.7Very low92 Ų92129.5 Ų129.576%0.7680%0.801SS**  trans-114176.817000000109.1
233P50.3Low38.1Very low115 Ų115130.5 Ų130.575%0.74780%0.798SS**  cis-137.3165.1-12.436.5-19.1000114.2
234T26.9Very low37.8Very low138 Ų138130.4 Ų130.485%0.84781%0.807SS**  trans-152103.1141.460.60000112.8
235S37.3Very low37.4Very low130 Ų130130.4 Ų130.491%0.90981%0.807SS**  trans40.4119.8135.6-48.10000123.6
236G29.3Very low36.9Very low75 Ų75126.5 Ų126.577%0.77381%0.805SS**  trans154.4135148.100000114.6
237P46.2Very low37.1Very low126 Ų126124.7 Ų124.782%0.81880%0.803SS**  trans-102.2132.6-15036.2-27.7000114.7
238T30Very low37.5Very low124 Ų124126.4 Ų126.476%0.76181%0.806SS**  trans-157.5123.8157-50.10000110.7
239E33Very low38.5Very low170 Ų170125 Ų12579%0.79479%0.792SS**  trans59.8134.8159.5-80.6154.973.300122.5P241E239-P241 WeakPolarHBondContact O-CD 3.41Å
240P39.9Very low39.6Very low121 Ų121121 Ų12179%0.78677%0.767SS**  trans-88126.5-173.334.3-31.3000112.6
241P36.1Very low41.1Very low111 Ų111116.2 Ų116.272%0.72173%0.727SS**  trans-90.8124.8141.631.2-22.8000108E239 L243E239-P241 WeakPolarHBondContact O-CD 3.41Å; P241-L243 PolarHBondContact O-N 3.41Å; P241-L243 VanDerWaalsContact O-N 3.1Å
242S30.6Very low43.1Very low123 Ų123109.1 Ų109.186%0.8670%0.702SS**  trans-54.1115.5174.1-84.60000110.8A244S242-A244 PolarHBondContact O-N 3.21Å
243L35.4Very low45.1Very low161 Ų161109.6 Ų109.684%0.84369%0.688SS**  trans-64.9110.9152.6-77.4120.7000108.3P241P241-L243 PolarHBondContact O-N 3.41Å; P241-L243 VanDerWaalsContact O-N 3.1Å
244A32.6Very low46.4Very low96 Ų96104.3 Ų104.379%0.79365%0.653SS**  trans-104.799.7148.100000106.7S242 A246S242-A244 PolarHBondContact O-N 3.21Å; A244-A246 PolarHBondContact O-N 3.3Å
245E41Very low48.9Very low184 Ų184101.3 Ų101.386%0.8663%0.626SS**  trans-58118.1159.1-75.1173.270.800108.9
246A37.3Very low51Low96 Ų96100.5 Ų100.579%0.79362%0.616SS**  trans-152.2127.3153.900000107.2A244A244-A246 PolarHBondContact O-N 3.3Å
247G41.5Very low53.6Low65 Ų65100.2 Ų100.267%0.6760%0.595SS**  trans-51.9146-160.100000115.7N249G247-N249 PolarHBondContact O-N 3.36Å
248E45.4Very low55.3Low192 Ų19298.7 Ų98.790%0.89759%0.585SS**  trans-33.7110.6155.6-74.2161.481.700108.7P250E248-P250 WeakPolarHBondContact O-CD 3.49Å; E248-P250 VanDerWaalsContact O-N 3.14Å
249N63.5Low57.7Low76 Ų7697.4 Ų97.441%0.40657%0.57SS.*  trans-73.899.1173.5-105.4-58.7000106.1G247 L251 A252 L298G247-N249 PolarHBondContact O-N 3.36Å; N249-L251 PolarHBondContact O-N 3.06Å; N249-A252 HydrophobicContact CB-CB 3.84Å; N249-A252 VanDerWaalsContact O-CB 3.24Å; N249-A252 WeakPolarHBondContact O-CB 3.4Å; N249-A252 PolarHBondContact O-N 3.41Å; N249-L298 WeakPolarHBondContact OD1-CD1 3.32Å; N249-L298 WeakPolarHBondContact OD1-CD2 3.34Å
250P66Low60Low46 Ų4689.5 Ų89.530%0.29953%0.533SS..THydrogen-bonded Turntrans-66.8-11.2-177.832.6-36.6000111.2E248 F253E248-P250 WeakPolarHBondContact O-CD 3.49Å; E248-P250 VanDerWaalsContact O-N 3.14Å; P250-F253 WeakPolarHBondContact O-CD1 3.28Å; P250-F253 WeakPolarHBondContact O-CE1 3.26Å
251L70.3Confident62Low0 Ų087 Ų870%051%0.513CS..THydrogen-bonded Turntrans-100.84.2176.1-59.9167.5000112.5N249 F253 L254 Q291 I292 H295 L298 F299 M302N249-L251 PolarHBondContact O-N 3.06Å; L251-F253 PolarHBondContact O-N 3.04Å; L251-L254 HydrophobicContact CB-CD1 3.79Å; L251-L254 HydrophobicContact CD2-CD1 3.2Å; L251-L254 HydrophobicContact CG-CD1 4.05Å; L251-L254 VanDerWaalsContact O-CB 3.26Å; L251-L254 WeakPolarHBondContact O-CB 3.31Å; L251-L254 PolarHBondContact O-N 2.79Å; L251-Q291 HydrophobicContact CD2-CB 4.25Å; L251-Q291 HydrophobicContact CD2-CG 3.82Å; L251-I292 HydrophobicContact CD2-CG1 4.09Å; L251-H295 HydrophobicContact CD1-CB 3.39Å; L251-H295 WeakPolarHBondContact CD1-O 2.97Å; L251-H295 HydrophobicContact CG-CB 4.17Å; L251-L298 HydrophobicContact CD1-CB 4.14Å; L251-F299 HydrophobicContact CD1-CB 4.12Å; L251-M302 HydrophobicContact CB-CE 3.43Å; L251-M302 VanDerWaalsContact CB-CE 3.43Å; L251-M302 HydrophobicContact CD1-CE 4.24Å; L251-M302 WeakPolarHBondContact O-CE 3.23Å
252A76.1Confident64.3Low50 Ų5088 Ų8841%0.41351%0.507SS..Hα-helixtrans-59-33.8178.600000112.1N249 L254 R255N249-A252 HydrophobicContact CB-CB 3.84Å; N249-A252 VanDerWaalsContact O-CB 3.24Å; N249-A252 WeakPolarHBondContact O-CB 3.4Å; N249-A252 PolarHBondContact O-N 3.41Å; A252-L254 PolarHBondContact O-N 3.38Å; A252-R255 WeakPolarHBondContact O-CB 3.45Å; A252-R255 PolarHBondContact O-N 2.99Å; A252-R255 VanDerWaalsContact O-N 3.11Å
253F79.4Confident66.5Low102 Ų10282.5 Ų82.545%0.44747%0.468SS..Hα-helixtrans-62.1-28.5175.280.7-90.7000112.7P250 L251 R255 T256 Q257 L288P250-F253 WeakPolarHBondContact O-CD1 3.28Å; P250-F253 WeakPolarHBondContact O-CE1 3.26Å; L251-F253 PolarHBondContact O-N 3.04Å; F253-R255 VanDerWaalsContact C-N 3.28Å; F253-R255 PolarHBondContact O-N 3.29Å; F253-T256 PolarHBondContact O-N 3.4Å; F253-T256 PolarHBondContact O-OG1 2.95Å; F253-Q257 PolarHBondContact O-N 3.04Å; F253-L288 HydrophobicContact CE2-CD1 4.44Å; F253-L288 HydrophobicContact CZ-CD1 3.75Å
254L76.3Confident68.6Low4 Ų476.5 Ų76.52%0.02144%0.435CS..Hα-helixtrans-65.4-35.6176.7-80.4150.3000110.9L251 A252 T256 Q257 F260 L288L251-L254 HydrophobicContact CB-CD1 3.79Å; L251-L254 HydrophobicContact CD2-CD1 3.2Å; L251-L254 HydrophobicContact CG-CD1 4.05Å; L251-L254 VanDerWaalsContact O-CB 3.26Å; L251-L254 WeakPolarHBondContact O-CB 3.31Å; L251-L254 PolarHBondContact O-N 2.79Å; A252-L254 PolarHBondContact O-N 3.38Å; L254-T256 PolarHBondContact O-N 3.46Å; L254-T256 VanDerWaalsContact O-N 3.09Å; L254-Q257 WeakPolarHBondContact O-CB 3.22Å; L254-Q257 PolarHBondContact O-N 3Å; L254-F260 HydrophobicContact CB-CB 4.33Å; L254-F260 HydrophobicContact CB-CD2 3.75Å; L254-F260 HydrophobicContact CB-CE2 4.25Å; L254-F260 HydrophobicContact CB-CG 4.04Å; L254-F260 HydrophobicContact CD2-CD2 4.19Å; L254-F260 HydrophobicContact CG-CD2 4.49Å; L254-F260 WeakPolarHBondContact O-CB 3.35Å; L254-F260 VanDerWaalsContact O-CG 3.27Å; L254-F260 WeakPolarHBondContact O-CG 3.23Å; L254-L288 HydrophobicContact CD1-CD1 3.87Å; L254-L288 HydrophobicContact CD2-CD1 4.03Å; L254-L288 HydrophobicContact CD2-CD2 3.98Å; L254-L288 HydrophobicContact CD2-CG 4.48Å; L254-L288 HydrophobicContact CG-CD1 4.21Å
255R80.6Confident71Confident75 Ų7576.3 Ų76.328%0.28342%0.417SS..Hα-helixtrans-54.8-33.4178.1-165-168.7174.599.6-1.1112.4A252 F253 M302 E305A252-R255 WeakPolarHBondContact O-CB 3.45Å; A252-R255 PolarHBondContact O-N 2.99Å; A252-R255 VanDerWaalsContact O-N 3.11Å; F253-R255 VanDerWaalsContact C-N 3.28Å; F253-R255 PolarHBondContact O-N 3.29Å; R255-M302 HydrophobicContact CB-SD 4.49Å; R255-E305 IonicContact CZ-OE1 3.8Å; R255-E305 IonicContact NH1-OE1 3.95Å; R255-E305 PolarHBondContact NH1-OE1 3.13Å; R255-E305 IonicContact NH1-OE2 3.04Å; R255-E305 PolarHBondContact NH1-OE2 2.98Å; R255-E305 IonicContact NH2-OE1 2.99Å; R255-E305 PolarHBondContact NH2-OE1 3.04Å
256T80.2Confident73Confident113 Ų11368.5 Ų68.569%0.69338%0.384SS*.THydrogen-bonded Turntrans-88.5-9.3177.751.60000114.3F253 L254F253-T256 PolarHBondContact O-N 3.4Å; F253-T256 PolarHBondContact O-OG1 2.95Å; L254-T256 PolarHBondContact O-N 3.46Å; L254-T256 VanDerWaalsContact O-N 3.09Å
257Q85.3Confident74.9Confident70 Ų7064.8 Ų64.833%0.32735%0.351SS..SBendtrans-80.7131.4-177.4-166.4120.391.100110.7F253 L254 Q259 F260 L261F253-Q257 PolarHBondContact O-N 3.04Å; L254-Q257 WeakPolarHBondContact O-CB 3.22Å; L254-Q257 PolarHBondContact O-N 3Å; Q257-Q259 HydrophobicContact CG-CB 4.24Å; Q257-Q259 HydrophobicContact CG-CG 4.45Å; Q257-Q259 PolarHBondContact O-N 3.15Å; Q257-Q259 VanDerWaalsContact O-N 3.15Å; Q257-F260 HydrophobicContact CB-CB 4.43Å; Q257-F260 WeakPolarHBondContact O-CB 3.1Å; Q257-F260 PolarHBondContact O-N 2.86Å; Q257-L261 PolarHBondContact O-N 2.87Å; Q257-L261 VanDerWaalsContact O-N 3.16Å
258P80.3Confident76.9Confident94 Ų9468.8 Ų68.861%0.6135%0.352SS*.Hα-helixtrans-59.3-28.9179.121-34.3000113.8F260 L261 H262P258-F260 VanDerWaalsContact C-N 3.33Å; P258-F260 PolarHBondContact O-N 3.48Å; P258-L261 PolarHBondContact O-N 3.26Å; P258-H262 WeakPolarHBondContact O-CB 3.07Å; P258-H262 PolarHBondContact O-N 3.41Å
259Q80.9Confident78.7Confident97 Ų9767.1 Ų67.145%0.45334%0.344SS..Hα-helixtrans-64.3-38175-61-175.1-7.400112.1Q257 M263Q257-Q259 HydrophobicContact CG-CB 4.24Å; Q257-Q259 HydrophobicContact CG-CG 4.45Å; Q257-Q259 PolarHBondContact O-N 3.15Å; Q257-Q259 VanDerWaalsContact O-N 3.15Å; Q259-M263 WeakPolarHBondContact O-CB 3.38Å; Q259-M263 PolarHBondContact O-N 3.42Å
260F81.2Confident79.7Confident4 Ų466.9 Ų66.92%0.01834%0.343CS..Hα-helixtrans-74.3-38.1178.4-169.2-95.9000111.7L254 Q257 P258 H262 M263 R264 F299 M302 L303L254-F260 HydrophobicContact CB-CB 4.33Å; L254-F260 HydrophobicContact CB-CD2 3.75Å; L254-F260 HydrophobicContact CB-CE2 4.25Å; L254-F260 HydrophobicContact CB-CG 4.04Å; L254-F260 HydrophobicContact CD2-CD2 4.19Å; L254-F260 HydrophobicContact CG-CD2 4.49Å; L254-F260 WeakPolarHBondContact O-CB 3.35Å; L254-F260 VanDerWaalsContact O-CG 3.27Å; L254-F260 WeakPolarHBondContact O-CG 3.23Å; Q257-F260 HydrophobicContact CB-CB 4.43Å; Q257-F260 WeakPolarHBondContact O-CB 3.1Å; Q257-F260 PolarHBondContact O-N 2.86Å; P258-F260 VanDerWaalsContact C-N 3.33Å; P258-F260 PolarHBondContact O-N 3.48Å; F260-H262 VanDerWaalsContact C-N 3.32Å; F260-H262 PolarHBondContact O-N 2.94Å; F260-M263 HydrophobicContact CD2-CE 3.32Å; F260-M263 HydrophobicContact CE2-CE 3.61Å; F260-M263 HydrophobicContact CG-CE 4.21Å; F260-M263 PolarHBondContact O-N 3.17Å; F260-R264 VanDerWaalsContact O-CB 3.28Å; F260-R264 WeakPolarHBondContact O-CB 3.39Å; F260-R264 PolarHBondContact O-N 3.25Å; F260-F299 HydrophobicContact CD2-CD2 4.43Å; F260-F299 HydrophobicContact CD2-CE2 4.06Å; F260-F299 AromaticContact CE2-CD2 3.69Å; F260-F299 HydrophobicContact CE2-CD2 3.69Å; F260-F299 AromaticContact CE2-CE2 3.67Å; F260-F299 HydrophobicContact CE2-CE2 3.67Å; F260-M302 HydrophobicContact CE1-CB 4.01Å; F260-M302 HydrophobicContact CE2-CE 4.37Å; F260-M302 HydrophobicContact CZ-CB 3.56Å; F260-M302 HydrophobicContact CZ-CE 4.12Å; F260-L303 HydrophobicContact CD2-CD1 4.15Å; F260-L303 HydrophobicContact CE1-CD1 3.98Å; F260-L303 HydrophobicContact CE2-CD1 3.39Å; F260-L303 HydrophobicContact CZ-CD1 3.28Å
261L83.1Confident80.4Confident69 Ų6969.3 Ų69.336%0.36136%0.359SS..Hα-helixtrans-60.4-42.9172.8-70.3169.9000111.4Q257 P258 R264 Q265 V307Q257-L261 PolarHBondContact O-N 2.87Å; Q257-L261 VanDerWaalsContact O-N 3.16Å; P258-L261 PolarHBondContact O-N 3.26Å; L261-R264 PolarHBondContact O-N 3.2Å; L261-Q265 WeakPolarHBondContact O-CB 3.43Å; L261-Q265 PolarHBondContact O-N 2.85Å; L261-V307 HydrophobicContact CD2-CG2 4.08Å
262H83.2Confident81.2Confident130 Ų13072.6 Ų72.660%0.60239%0.386SS*.Hα-helixtrans-64.8-45.8175.8-173.372.2000112.1P258 F260 R264 Q265 A266P258-H262 WeakPolarHBondContact O-CB 3.07Å; P258-H262 PolarHBondContact O-N 3.41Å; F260-H262 VanDerWaalsContact C-N 3.32Å; F260-H262 PolarHBondContact O-N 2.94Å; H262-R264 PolarHBondContact O-N 3.19Å; H262-Q265 PolarHBondContact O-N 2.94Å; H262-A266 WeakPolarHBondContact O-CB 3.47Å; H262-A266 PolarHBondContact O-N 2.97Å
263M76Confident81.5Confident9 Ų974.1 Ų74.14%0.04439%0.386CS..Hα-helixtrans-59.2-45.8175.8170.6162.471.800112.2Q259 F260 A266 I267 L277 F299 L303Q259-M263 WeakPolarHBondContact O-CB 3.38Å; Q259-M263 PolarHBondContact O-N 3.42Å; F260-M263 HydrophobicContact CD2-CE 3.32Å; F260-M263 HydrophobicContact CE2-CE 3.61Å; F260-M263 HydrophobicContact CG-CE 4.21Å; F260-M263 PolarHBondContact O-N 3.17Å; M263-A266 PolarHBondContact O-N 3.32Å; M263-I267 HydrophobicContact CG-CD1 3.47Å; M263-I267 VanDerWaalsContact CG-CD1 3.47Å; M263-I267 HydrophobicContact CG-CG1 4.34Å; M263-I267 WeakPolarHBondContact O-CB 3.22Å; M263-I267 VanDerWaalsContact O-CG1 3.27Å; M263-I267 WeakPolarHBondContact O-CG1 3.1Å; M263-I267 PolarHBondContact O-N 2.82Å; M263-I267 HydrophobicContact SD-CD1 4.29Å; M263-L277 HydrophobicContact CB-CD2 3.45Å; M263-L277 VanDerWaalsContact CB-CD2 3.45Å; M263-L277 HydrophobicContact CG-CD2 3.49Å; M263-L277 VanDerWaalsContact CG-CD2 3.49Å; M263-L277 HydrophobicContact SD-CD2 3.9Å; M263-L277 HydrophobicContact SD-CG 4.48Å; M263-F299 HydrophobicContact CE-CD2 4.33Å; M263-F299 HydrophobicContact CE-CE1 3.96Å; M263-F299 HydrophobicContact CE-CE2 3.18Å; M263-F299 HydrophobicContact CE-CZ 2.98Å; M263-F299 HydrophobicContact SD-CE1 4.19Å; M263-F299 HydrophobicContact SD-CE2 4.23Å; M263-F299 HydrophobicContact SD-CZ 3.44Å; M263-F299 WeakPolarHBondContact SD-CZ 3.35Å; M263-L303 HydrophobicContact CE-CD1 3.58Å; M263-L303 HydrophobicContact CG-CD1 4.18Å; M263-L303 HydrophobicContact SD-CD1 4.48Å
264R81.2Confident81.4Confident35 Ų3571.5 Ų71.513%0.13238%0.377CS..Hα-helixtrans-62.9-44.2179-171-16961.1165.5-3.5111.4F260 L261 H262 A266 I267 Q268 L303 E305 V307F260-R264 VanDerWaalsContact O-CB 3.28Å; F260-R264 WeakPolarHBondContact O-CB 3.39Å; F260-R264 PolarHBondContact O-N 3.25Å; L261-R264 PolarHBondContact O-N 3.2Å; H262-R264 PolarHBondContact O-N 3.19Å; R264-A266 VanDerWaalsContact C-N 3.3Å; R264-A266 PolarHBondContact O-N 3.07Å; R264-I267 PolarHBondContact O-N 3.44Å; R264-Q268 WeakPolarHBondContact O-CB 3.4Å; R264-Q268 PolarHBondContact O-N 3.46Å; R264-L303 HydrophobicContact CB-CD1 4.38Å; R264-L303 VanDerWaalsContact CG-O 3.28Å; R264-L303 WeakPolarHBondContact CG-O 3.27Å; R264-E305 PolarHBondContact NH1-O 3.46Å; R264-E305 VanDerWaalsContact NH1-O 3.08Å; R264-V307 VanDerWaalsContact CZ-CG2 3.42Å; R264-V307 VanDerWaalsContact NH1-CA 3.32Å
265Q82.9Confident81.7Confident92 Ų9275.2 Ų75.243%0.4340%0.401SS..Hα-helixtrans-60.4-41174.7-177.161.367.600112L261 H262 Q269L261-Q265 WeakPolarHBondContact O-CB 3.43Å; L261-Q265 PolarHBondContact O-N 2.85Å; H262-Q265 PolarHBondContact O-N 2.94Å; Q265-Q269 PolarHBondContact O-N 3.08Å
266A82.2Confident81.8Confident20 Ų2074.5 Ų74.517%0.16541%0.412CS..Hα-helixtrans-68.6-37.6178.300000112.2H262 M263 R264 Q269 N270H262-A266 WeakPolarHBondContact O-CB 3.47Å; H262-A266 PolarHBondContact O-N 2.97Å; M263-A266 PolarHBondContact O-N 3.32Å; R264-A266 VanDerWaalsContact C-N 3.3Å; R264-A266 PolarHBondContact O-N 3.07Å; A266-Q269 PolarHBondContact O-N 2.75Å; A266-N270 PolarHBondContact O-N 3.27Å
267I78.4Confident81.8Confident18 Ų1871.8 Ų71.89%0.09239%0.392CS..Hα-helixtrans-72.8-35.1179.5-74.4169.1000111.5M263 R264 Q269 N270 L274 L303M263-I267 HydrophobicContact CG-CD1 3.47Å; M263-I267 VanDerWaalsContact CG-CD1 3.47Å; M263-I267 HydrophobicContact CG-CG1 4.34Å; M263-I267 WeakPolarHBondContact O-CB 3.22Å; M263-I267 VanDerWaalsContact O-CG1 3.27Å; M263-I267 WeakPolarHBondContact O-CG1 3.1Å; M263-I267 PolarHBondContact O-N 2.82Å; M263-I267 HydrophobicContact SD-CD1 4.29Å; R264-I267 PolarHBondContact O-N 3.44Å; I267-Q269 PolarHBondContact O-N 2.8Å; I267-N270 CarbonylContact O-C 3.45Å; I267-N270 PolarHBondContact O-N 3.45Å; I267-L274 HydrophobicContact CD1-CB 3.98Å; I267-L274 HydrophobicContact CD1-CD1 3.97Å; I267-L274 HydrophobicContact CD1-CG 3.8Å; I267-L274 HydrophobicContact CG1-CB 4.2Å; I267-L303 HydrophobicContact CD1-CD2 3.15Å; I267-L303 HydrophobicContact CD1-CG 3.73Å; I267-L303 HydrophobicContact CG1-CD2 4.48Å
268Q81.6Confident81.6Confident148 Ų14870.5 Ų70.569%0.69239%0.387SS*.Hα-helixtrans-65.7-29.9173.1-164.5164.84500112.2R264R264-Q268 WeakPolarHBondContact O-CB 3.4Å; R264-Q268 PolarHBondContact O-N 3.46Å
269Q84.6Confident81.7Confident157 Ų15773 Ų7373%0.73439%0.391SS*.Hα-helixtrans-82.1-38.9171.4-80.4-177.810.200113.3Q265 A266 I267Q265-Q269 PolarHBondContact O-N 3.08Å; A266-Q269 PolarHBondContact O-N 2.75Å; I267-Q269 PolarHBondContact O-N 2.8Å
270N83.1Confident81.8Confident71 Ų7172.9 Ų72.938%0.3839%0.39SS..  trans-151.3102.5-175.5-163.230.2000112.3A266 I267 A272 L273A266-N270 PolarHBondContact O-N 3.27Å; I267-N270 CarbonylContact O-C 3.45Å; I267-N270 PolarHBondContact O-N 3.45Å; N270-A272 PolarHBondContact O-N 3.44Å; N270-A272 VanDerWaalsContact O-N 3.14Å; N270-L273 HydrophobicContact CB-CD1 4.07Å; N270-L273 HydrophobicContact CB-CG 4.16Å; N270-L273 PolarHBondContact O-N 3.38Å
271P81.8Confident81.5Confident98 Ų9873.7 Ų73.764%0.63640%0.395SS*.G310 helixtrans-67.5-16.7-177.826.7-34.4000113.3L273P271-L273 VanDerWaalsContact C-N 3.28Å; P271-L273 PolarHBondContact O-N 3.39Å
272A86.3Confident81.3Confident68 Ų6871.2 Ų71.256%0.56239%0.386SS*.G310 helixtrans-74.2-13.1177.600000114.2N270 P275N270-A272 PolarHBondContact O-N 3.44Å; N270-A272 VanDerWaalsContact O-N 3.14Å; A272-P275 WeakPolarHBondContact O-CD 3.48Å; A272-P275 WeakPolarHBondContact O-CG 3.17Å
273L82.6Confident81.6Confident82 Ų8275.1 Ų75.143%0.42940%0.396SS..G310 helixtrans-83.3-14.5178.5-66.4178.2000113.5N270 P271 A276 L277N270-L273 HydrophobicContact CB-CD1 4.07Å; N270-L273 HydrophobicContact CB-CG 4.16Å; N270-L273 PolarHBondContact O-N 3.38Å; P271-L273 VanDerWaalsContact C-N 3.28Å; P271-L273 PolarHBondContact O-N 3.39Å; L273-A276 PolarHBondContact O-N 2.84Å; L273-A276 VanDerWaalsContact O-N 3.14Å; L273-L277 WeakPolarHBondContact O-CB 3.49Å; L273-L277 PolarHBondContact O-N 3.11Å
274L77.8Confident81.9Confident47 Ų4780.5 Ų80.525%0.24642%0.421CS..Hα-helixtrans-51.1-52.2178.5-167.2165.9000112.5I267 A276 L277 L278 L303I267-L274 HydrophobicContact CD1-CB 3.98Å; I267-L274 HydrophobicContact CD1-CD1 3.97Å; I267-L274 HydrophobicContact CD1-CG 3.8Å; I267-L274 HydrophobicContact CG1-CB 4.2Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 2.87Å; L274-L277 PolarHBondContact O-N 3.49Å; L274-L278 WeakPolarHBondContact O-CB 3.34Å; L274-L278 PolarHBondContact O-N 3.23Å; L274-L303 HydrophobicContact CD1-CD2 4.16Å
275P81.9Confident81.6Confident82 Ų8281.7 Ų81.753%0.53243%0.43SS..Hα-helixtrans-63.8-36.3179.321.8-32.9000113.3A272 Q279A272-P275 WeakPolarHBondContact O-CD 3.48Å; A272-P275 WeakPolarHBondContact O-CG 3.17Å; P275-Q279 WeakPolarHBondContact O-CB 3.39Å; P275-Q279 PolarHBondContact O-N 3.18Å
276A84.3Confident81.7Confident61 Ų6181.3 Ų81.350%0.50444%0.435SS..Hα-helixtrans-67.5-38.4177.800000111.8L273 L274 Q279 Q280L273-A276 PolarHBondContact O-N 2.84Å; L273-A276 VanDerWaalsContact O-N 3.14Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 2.87Å; A276-Q279 WeakPolarHBondContact O-CB 3.43Å; A276-Q279 PolarHBondContact O-N 3.08Å; A276-Q280 PolarHBondContact O-N 3.24Å; A276-Q280 VanDerWaalsContact O-N 3.11Å
277L79.3Confident81.7Confident55 Ų5588 Ų8829%0.28846%0.463SS..Hα-helixtrans-76.7-34.6179.8-160.563.7000112.1M263 L273 L274 Q279 Q280 L281M263-L277 HydrophobicContact CB-CD2 3.45Å; M263-L277 VanDerWaalsContact CB-CD2 3.45Å; M263-L277 HydrophobicContact CG-CD2 3.49Å; M263-L277 VanDerWaalsContact CG-CD2 3.49Å; M263-L277 HydrophobicContact SD-CD2 3.9Å; M263-L277 HydrophobicContact SD-CG 4.48Å; L273-L277 WeakPolarHBondContact O-CB 3.49Å; L273-L277 PolarHBondContact O-N 3.11Å; L274-L277 PolarHBondContact O-N 3.49Å; L277-Q279 VanDerWaalsContact C-N 3.29Å; L277-Q279 PolarHBondContact O-N 3.01Å; L277-Q280 PolarHBondContact O-N 3.31Å; L277-L281 WeakPolarHBondContact O-CB 3.15Å; L277-L281 PolarHBondContact O-N 3.2Å
278L80.2Confident81.7Confident43 Ų4387.5 Ų87.523%0.22546%0.461CS..Hα-helixtrans-63.6-36.9170.9-170.465.6000111.3L274 L281 G282 L289 I292L274-L278 WeakPolarHBondContact O-CB 3.34Å; L274-L278 PolarHBondContact O-N 3.23Å; L278-L281 PolarHBondContact O-N 3.49Å; L278-G282 PolarHBondContact O-N 3.43Å; L278-L289 HydrophobicContact CD1-CD1 3.6Å; L278-L289 HydrophobicContact CG-CD1 3.83Å; L278-I292 HydrophobicContact CD1-CG2 3.88Å
279Q84Confident81.8Confident146 Ų14683.3 Ų83.368%0.68244%0.443SS*.Hα-helixtrans-64.8-39.3173.6-16699.446.200112P275 A276 L277 R283P275-Q279 WeakPolarHBondContact O-CB 3.39Å; P275-Q279 PolarHBondContact O-N 3.18Å; A276-Q279 WeakPolarHBondContact O-CB 3.43Å; A276-Q279 PolarHBondContact O-N 3.08Å; L277-Q279 VanDerWaalsContact C-N 3.29Å; L277-Q279 PolarHBondContact O-N 3.01Å; Q279-R283 PolarHBondContact O-N 2.88Å
280Q82.2Confident81.8Confident95 Ų9582.3 Ų82.344%0.44444%0.438SS..Hα-helixtrans-68-46.8175.8-177.165.316.200111.2A276 L277 G282 R283 E284A276-Q280 PolarHBondContact O-N 3.24Å; A276-Q280 VanDerWaalsContact O-N 3.11Å; L277-Q280 PolarHBondContact O-N 3.31Å; Q280-G282 VanDerWaalsContact C-N 3.28Å; Q280-G282 PolarHBondContact O-N 3.43Å; Q280-R283 WeakPolarHBondContact O-CB 3.03Å; Q280-R283 PolarHBondContact O-N 2.66Å; Q280-E284 PolarHBondContact NE2-OE2 3Å; Q280-E284 PolarHBondContact O-N 2.96Å
281L75.4Confident81.6Confident21 Ų2182 Ų8211%0.1143%0.434CS..Hα-helixtrans-64.8-35.1179.1-166.363.9000111.8L277 L278 R283 E284 N285 L288 I292L277-L281 WeakPolarHBondContact O-CB 3.15Å; L277-L281 PolarHBondContact O-N 3.2Å; L278-L281 PolarHBondContact O-N 3.49Å; L281-R283 VanDerWaalsContact C-N 3.26Å; L281-R283 PolarHBondContact O-N 2.71Å; L281-E284 PolarHBondContact O-N 3.11Å; L281-N285 CarbonylContact O-C 3.49Å; L281-N285 WeakPolarHBondContact O-CA 3.28Å; L281-N285 PolarHBondContact O-N 2.66Å; L281-L288 HydrophobicContact CD1-CD2 3.81Å; L281-L288 HydrophobicContact CD2-CD2 3.85Å; L281-L288 HydrophobicContact CD2-CG 4.33Å; L281-L288 HydrophobicContact CG-CD2 3.96Å; L281-I292 HydrophobicContact CD2-CD1 3.41Å; L281-I292 VanDerWaalsContact CD2-CD1 3.41Å
282G79.3Confident81.5Confident18 Ų1877.4 Ų77.419%0.18640%0.404CS..Hα-helixtrans-65-27.3172.500000114.5L278 Q280L278-G282 PolarHBondContact O-N 3.43Å; Q280-G282 VanDerWaalsContact C-N 3.28Å; Q280-G282 PolarHBondContact O-N 3.43Å
283R88.4Confident81.3Confident211 Ų21177.6 Ų77.680%0.79640%0.401SS*.Hα-helixtrans-79.4-39.9173.5-87.5-172.9155.7161-2.9112.9Q279 Q280 L281Q279-R283 PolarHBondContact O-N 2.88Å; Q280-R283 WeakPolarHBondContact O-CB 3.03Å; Q280-R283 PolarHBondContact O-N 2.66Å; L281-R283 VanDerWaalsContact C-N 3.26Å; L281-R283 PolarHBondContact O-N 2.71Å
284E82Confident81.5Confident123 Ų12380.1 Ų80.158%0.57541%0.411SS*.Hα-helixtrans-79-38-178.4-110168.278.500112.5Q280 L281Q280-E284 PolarHBondContact NE2-OE2 3Å; Q280-E284 PolarHBondContact O-N 2.96Å; L281-E284 PolarHBondContact O-N 3.11Å
285N76Confident81.7Confident60 Ų6080.1 Ų80.132%0.32141%0.41SS..  trans-141.886.9-175.4-161-12.2000111.9L281 Q287 L288 L289L281-N285 CarbonylContact O-C 3.49Å; L281-N285 WeakPolarHBondContact O-CA 3.28Å; L281-N285 PolarHBondContact O-N 2.66Å; N285-Q287 VanDerWaalsContact C-N 3.29Å; N285-Q287 PolarHBondContact O-N 2.81Å; N285-L288 HydrophobicContact CB-CB 3.8Å; N285-L288 HydrophobicContact CB-CD2 4.37Å; N285-L288 VanDerWaalsContact CG-CB 3.47Å; N285-L288 WeakPolarHBondContact O-CB 3.38Å; N285-L288 PolarHBondContact O-N 3.18Å; N285-L288 PolarHBondContact OD1-N 2.87Å; N285-L289 PolarHBondContact O-N 2.87Å; N285-L289 VanDerWaalsContact O-N 3.08Å
286P84.6Confident81.4Confident83 Ų8381.1 Ų81.154%0.53941%0.407SS..Hα-helixtrans-66.9-28.6-177.826.3-34.3000113L289 Q290P286-L289 PolarHBondContact O-N 2.91Å; P286-Q290 PolarHBondContact O-N 3.43Å
287Q83Confident81.2Confident162 Ų16286.4 Ų86.476%0.75742%0.422SS*.Hα-helixtrans-68.5-38.4175.1-68.4-173.9-75.200111.5N285 Q290 Q291N285-Q287 VanDerWaalsContact C-N 3.29Å; N285-Q287 PolarHBondContact O-N 2.81Å; Q287-Q290 WeakPolarHBondContact O-CB 3.05Å; Q287-Q290 PolarHBondContact O-N 3.34Å; Q287-Q291 PolarHBondContact O-N 3.48Å
288L77.7Confident81.1Confident7 Ų786.8 Ų86.84%0.03742%0.423CS..Hα-helixtrans-67.7-38175.6-172.558.9000111.6F253 L254 L281 N285 Q290 Q291 I292F253-L288 HydrophobicContact CE2-CD1 4.44Å; F253-L288 HydrophobicContact CZ-CD1 3.75Å; L254-L288 HydrophobicContact CD1-CD1 3.87Å; L254-L288 HydrophobicContact CD2-CD1 4.03Å; L254-L288 HydrophobicContact CD2-CD2 3.98Å; L254-L288 HydrophobicContact CD2-CG 4.48Å; L254-L288 HydrophobicContact CG-CD1 4.21Å; L281-L288 HydrophobicContact CD1-CD2 3.81Å; L281-L288 HydrophobicContact CD2-CD2 3.85Å; L281-L288 HydrophobicContact CD2-CG 4.33Å; L281-L288 HydrophobicContact CG-CD2 3.96Å; N285-L288 HydrophobicContact CB-CB 3.8Å; N285-L288 HydrophobicContact CB-CD2 4.37Å; N285-L288 VanDerWaalsContact CG-CB 3.47Å; N285-L288 WeakPolarHBondContact O-CB 3.38Å; N285-L288 PolarHBondContact O-N 3.18Å; N285-L288 PolarHBondContact OD1-N 2.87Å; L288-Q290 VanDerWaalsContact C-N 3.31Å; L288-Q290 PolarHBondContact O-N 3.38Å; L288-Q291 PolarHBondContact O-N 3.45Å; L288-I292 HydrophobicContact CD1-CD1 4.29Å; L288-I292 HydrophobicContact CD1-CG1 4.44Å; L288-I292 HydrophobicContact CD2-CD1 4.42Å; L288-I292 HydrophobicContact CG-CD1 3.76Å; L288-I292 HydrophobicContact CG-CG1 4.36Å; L288-I292 WeakPolarHBondContact O-CB 3.21Å; L288-I292 VanDerWaalsContact O-CG1 3.23Å; L288-I292 WeakPolarHBondContact O-CG1 3.36Å; L288-I292 PolarHBondContact O-N 3.46Å
289L83.1Confident81Confident60 Ų6084.9 Ų84.931%0.31441%0.413SS..Hα-helixtrans-62.6-38.6173.4-168.276.3000112L278 N285 P286 Q291 I292 S293L278-L289 HydrophobicContact CD1-CD1 3.6Å; L278-L289 HydrophobicContact CG-CD1 3.83Å; N285-L289 PolarHBondContact O-N 2.87Å; N285-L289 VanDerWaalsContact O-N 3.08Å; P286-L289 PolarHBondContact O-N 2.91Å; L289-Q291 VanDerWaalsContact C-N 3.32Å; L289-I292 PolarHBondContact O-N 3.28Å; L289-S293 VanDerWaalsContact O-CB 3.29Å; L289-S293 WeakPolarHBondContact O-CB 3.4Å; L289-S293 PolarHBondContact O-N 2.9Å; L289-S293 PolarHBondContact O-OG 3.39Å
290Q84.1Confident80.8Confident135 Ų13581.1 Ų81.163%0.63140%0.397SS*.Hα-helixtrans-61.2-44.3173.6-161.492.251.900110.6P286 Q287 L288 S293 Q294P286-Q290 PolarHBondContact O-N 3.43Å; Q287-Q290 WeakPolarHBondContact O-CB 3.05Å; Q287-Q290 PolarHBondContact O-N 3.34Å; L288-Q290 VanDerWaalsContact C-N 3.31Å; L288-Q290 PolarHBondContact O-N 3.38Å; Q290-S293 WeakPolarHBondContact CA-OG 3.35Å; Q290-S293 PolarHBondContact O-N 3.45Å; Q290-S293 PolarHBondContact O-OG 2.96Å; Q290-Q294 WeakPolarHBondContact O-CB 3.42Å; Q290-Q294 PolarHBondContact O-N 2.96Å
291Q80.8Confident80.6Confident66 Ų6683.2 Ų83.231%0.30841%0.407SS..Hα-helixtrans-67.5-42.1178.6-157.468-96.500112.2L251 Q287 L288 L289 Q294 H295L251-Q291 HydrophobicContact CD2-CB 4.25Å; L251-Q291 HydrophobicContact CD2-CG 3.82Å; Q287-Q291 PolarHBondContact O-N 3.48Å; L288-Q291 PolarHBondContact O-N 3.45Å; L289-Q291 VanDerWaalsContact C-N 3.32Å; Q291-Q294 PolarHBondContact O-N 2.91Å; Q291-H295 WeakPolarHBondContact O-CB 3.24Å; Q291-H295 PolarHBondContact O-CD2 3.33Å; Q291-H295 PolarHBondContact O-N 3.42Å; Q291-H295 PolarHBondContact OE1-CD2 2.83Å; Q291-H295 PolarHBondContact OE1-NE2 3.08Å
292I79.3Confident80.6Confident1 Ų182.9 Ų82.91%0.00541%0.405CS..Hα-helixtrans-68-37.1177.1-67.7165.6000111L251 L278 L281 L288 L289 H295 Q296 F299L251-I292 HydrophobicContact CD2-CG1 4.09Å; L278-I292 HydrophobicContact CD1-CG2 3.88Å; L281-I292 HydrophobicContact CD2-CD1 3.41Å; L281-I292 VanDerWaalsContact CD2-CD1 3.41Å; L288-I292 HydrophobicContact CD1-CD1 4.29Å; L288-I292 HydrophobicContact CD1-CG1 4.44Å; L288-I292 HydrophobicContact CD2-CD1 4.42Å; L288-I292 HydrophobicContact CG-CD1 3.76Å; L288-I292 HydrophobicContact CG-CG1 4.36Å; L288-I292 WeakPolarHBondContact O-CB 3.21Å; L288-I292 VanDerWaalsContact O-CG1 3.23Å; L288-I292 WeakPolarHBondContact O-CG1 3.36Å; L288-I292 PolarHBondContact O-N 3.46Å; L289-I292 PolarHBondContact O-N 3.28Å; I292-H295 CarbonylContact O-C 3.24Å; I292-H295 VanDerWaalsContact O-C 3.24Å; I292-H295 PolarHBondContact O-N 2.88Å; I292-Q296 WeakPolarHBondContact O-CA 3.38Å; I292-Q296 WeakPolarHBondContact O-CB 3.27Å; I292-Q296 PolarHBondContact O-N 3.42Å; I292-F299 HydrophobicContact CD1-CD2 4.15Å; I292-F299 HydrophobicContact CD1-CE2 3.65Å; I292-F299 HydrophobicContact CD1-CZ 4.19Å; I292-F299 HydrophobicContact CG1-CD2 3.89Å; I292-F299 HydrophobicContact CG1-CE2 3.93Å; I292-F299 HydrophobicContact CG2-CB 4.31Å; I292-F299 HydrophobicContact CG2-CD1 4.06Å; I292-F299 HydrophobicContact CG2-CD2 3.99Å; I292-F299 HydrophobicContact CG2-CE1 4.21Å; I292-F299 HydrophobicContact CG2-CE2 4.12Å; I292-F299 HydrophobicContact CG2-CG 3.89Å; I292-F299 HydrophobicContact CG2-CZ 4.18Å
293S81.6Confident80.6Confident71 Ų7182.5 Ų82.550%0.49740%0.399SS..Hα-helixtrans-69.8-34.8175.560.60000112.2L289 Q290 H295L289-S293 VanDerWaalsContact O-CB 3.29Å; L289-S293 WeakPolarHBondContact O-CB 3.4Å; L289-S293 PolarHBondContact O-N 2.9Å; L289-S293 PolarHBondContact O-OG 3.39Å; Q290-S293 WeakPolarHBondContact CA-OG 3.35Å; Q290-S293 PolarHBondContact O-N 3.45Å; Q290-S293 PolarHBondContact O-OG 2.96Å; S293-H295 VanDerWaalsContact C-N 3.33Å
294Q85.7Confident80Confident135 Ų13578.3 Ų78.363%0.63139%0.392SS*.Hα-helixtrans-70.8-28.9173.4-168.6170108.300112.4Q290 Q291Q290-Q294 WeakPolarHBondContact O-CB 3.42Å; Q290-Q294 PolarHBondContact O-N 2.96Å; Q291-Q294 PolarHBondContact O-N 2.91Å
295H82.6Confident79.7Confident48 Ų4875.3 Ų75.322%0.22238%0.378CS..THydrogen-bonded Turntrans-129.345.7-175.3-62.8-75.3000112.5L251 Q291 I292 S293 E297 L298 F299L251-H295 HydrophobicContact CD1-CB 3.39Å; L251-H295 WeakPolarHBondContact CD1-O 2.97Å; L251-H295 HydrophobicContact CG-CB 4.17Å; Q291-H295 WeakPolarHBondContact O-CB 3.24Å; Q291-H295 PolarHBondContact O-CD2 3.33Å; Q291-H295 PolarHBondContact O-N 3.42Å; Q291-H295 PolarHBondContact OE1-CD2 2.83Å; Q291-H295 PolarHBondContact OE1-NE2 3.08Å; I292-H295 CarbonylContact O-C 3.24Å; I292-H295 VanDerWaalsContact O-C 3.24Å; I292-H295 PolarHBondContact O-N 2.88Å; S293-H295 VanDerWaalsContact C-N 3.33Å; H295-E297 VanDerWaalsContact C-N 3.27Å; H295-E297 PolarHBondContact O-N 2.99Å; H295-L298 HydrophobicContact CB-CB 4.41Å; H295-L298 HydrophobicContact CB-CD1 4.2Å; H295-L298 PolarHBondContact O-N 3.41Å; H295-F299 WeakPolarHBondContact O-CB 3.5Å; H295-F299 PolarHBondContact O-N 3.35Å; H295-F299 VanDerWaalsContact O-N 3.08Å
296Q76.9Confident78.8Confident102 Ų10276 Ų7648%0.47739%0.386SS..Hα-helixtrans-66.3-33.1-173.6-154.4-178.9116.200111.8I292 F299 I300I292-Q296 WeakPolarHBondContact O-CA 3.38Å; I292-Q296 WeakPolarHBondContact O-CB 3.27Å; I292-Q296 PolarHBondContact O-N 3.42Å; Q296-F299 WeakPolarHBondContact O-CB 3.4Å; Q296-F299 PolarHBondContact O-N 2.86Å; Q296-I300 HydrophobicContact CG-CD1 4.26Å; Q296-I300 VanDerWaalsContact O-CG1 3.27Å; Q296-I300 WeakPolarHBondContact O-CG1 3.49Å; Q296-I300 PolarHBondContact O-N 2.94Å
297E78.2Confident77.3Confident173 Ų17376.7 Ų76.781%0.80839%0.389SS*.Hα-helixtrans-66.3-46.3178.3-65.3171.992.800111.5H295 F299 I300 Q301H295-E297 VanDerWaalsContact C-N 3.27Å; H295-E297 PolarHBondContact O-N 2.99Å; E297-F299 VanDerWaalsContact C-N 3.28Å; E297-F299 PolarHBondContact O-N 2.91Å; E297-I300 PolarHBondContact O-N 3.36Å; E297-Q301 WeakPolarHBondContact O-CB 3.35Å; E297-Q301 PolarHBondContact O-N 3.35Å
298L78.1Confident75.8Confident62 Ų6272.3 Ų72.333%0.32539%0.386SS..Hα-helixtrans-63.2-38.2175.7-68.4173000111.4N249 L251 H295 Q301 M302N249-L298 WeakPolarHBondContact OD1-CD1 3.32Å; N249-L298 WeakPolarHBondContact OD1-CD2 3.34Å; L251-L298 HydrophobicContact CD1-CB 4.14Å; H295-L298 HydrophobicContact CB-CB 4.41Å; H295-L298 HydrophobicContact CB-CD1 4.2Å; H295-L298 PolarHBondContact O-N 3.41Å; L298-Q301 PolarHBondContact O-N 2.82Å; L298-M302 WeakPolarHBondContact O-CB 3.26Å; L298-M302 VanDerWaalsContact O-CG 3.31Å; L298-M302 WeakPolarHBondContact O-CG 3.21Å; L298-M302 PolarHBondContact O-N 3.43Å
299F78.3Confident74.3Confident3 Ų379.7 Ų79.71%0.01342%0.421CS..Hα-helixtrans-64-45175.9179.8-96.2000112.7L251 F260 M263 I292 H295 Q296 E297 M302 L303L251-F299 HydrophobicContact CD1-CB 4.12Å; F260-F299 HydrophobicContact CD2-CD2 4.43Å; F260-F299 HydrophobicContact CD2-CE2 4.06Å; F260-F299 AromaticContact CE2-CD2 3.69Å; F260-F299 HydrophobicContact CE2-CD2 3.69Å; F260-F299 AromaticContact CE2-CE2 3.67Å; F260-F299 HydrophobicContact CE2-CE2 3.67Å; M263-F299 HydrophobicContact CE-CD2 4.33Å; M263-F299 HydrophobicContact CE-CE1 3.96Å; M263-F299 HydrophobicContact CE-CE2 3.18Å; M263-F299 HydrophobicContact CE-CZ 2.98Å; M263-F299 HydrophobicContact SD-CE1 4.19Å; M263-F299 HydrophobicContact SD-CE2 4.23Å; M263-F299 HydrophobicContact SD-CZ 3.44Å; M263-F299 WeakPolarHBondContact SD-CZ 3.35Å; I292-F299 HydrophobicContact CD1-CD2 4.15Å; I292-F299 HydrophobicContact CD1-CE2 3.65Å; I292-F299 HydrophobicContact CD1-CZ 4.19Å; I292-F299 HydrophobicContact CG1-CD2 3.89Å; I292-F299 HydrophobicContact CG1-CE2 3.93Å; I292-F299 HydrophobicContact CG2-CB 4.31Å; I292-F299 HydrophobicContact CG2-CD1 4.06Å; I292-F299 HydrophobicContact CG2-CD2 3.99Å; I292-F299 HydrophobicContact CG2-CE1 4.21Å; I292-F299 HydrophobicContact CG2-CE2 4.12Å; I292-F299 HydrophobicContact CG2-CG 3.89Å; I292-F299 HydrophobicContact CG2-CZ 4.18Å; H295-F299 WeakPolarHBondContact O-CB 3.5Å; H295-F299 PolarHBondContact O-N 3.35Å; H295-F299 VanDerWaalsContact O-N 3.08Å; Q296-F299 WeakPolarHBondContact O-CB 3.4Å; Q296-F299 PolarHBondContact O-N 2.86Å; E297-F299 VanDerWaalsContact C-N 3.28Å; E297-F299 PolarHBondContact O-N 2.91Å; F299-M302 PolarHBondContact O-N 3.47Å; F299-L303 HydrophobicContact CD1-CD2 4.05Å; F299-L303 HydrophobicContact CE1-CD2 3.7Å; F299-L303 HydrophobicContact CZ-CD2 4.37Å; F299-L303 WeakPolarHBondContact O-CB 3.29Å; F299-L303 PolarHBondContact O-N 3.23Å
300I79.8Confident72.3Confident68 Ų6880.7 Ų80.735%0.34945%0.445SS..Hα-helixtrans-67.8-37.5177-67.1165.5000110.8Q296 E297 L303 N304Q296-I300 HydrophobicContact CG-CD1 4.26Å; Q296-I300 VanDerWaalsContact O-CG1 3.27Å; Q296-I300 WeakPolarHBondContact O-CG1 3.49Å; Q296-I300 PolarHBondContact O-N 2.94Å; E297-I300 PolarHBondContact O-N 3.36Å; I300-L303 WeakPolarHBondContact O-CB 3.05Å; I300-L303 PolarHBondContact O-N 3.09Å; I300-N304 PolarHBondContact O-N 3.11Å; I300-N304 VanDerWaalsContact O-N 3.08Å; I300-N304 PolarHBondContact O-ND2 3.27Å
301Q78.8Confident70.1Confident139 Ų13977.5 Ų77.565%0.6545%0.449SS*.Hα-helixtrans-59.7-50.1175.1-169.17932.300110.8E297 L298 L303 N304 E305E297-Q301 WeakPolarHBondContact O-CB 3.35Å; E297-Q301 PolarHBondContact O-N 3.35Å; L298-Q301 PolarHBondContact O-N 2.82Å; Q301-L303 VanDerWaalsContact C-N 3.28Å; Q301-L303 PolarHBondContact O-N 2.87Å; Q301-N304 PolarHBondContact O-N 2.88Å; Q301-E305 PolarHBondContact O-N 3.03Å; Q301-E305 VanDerWaalsContact O-N 3.14Å
302M74.3Confident67.9Low14 Ų1481.5 Ų81.57%0.06947%0.473CS..Hα-helixtrans-66.7-27.3177.9-71.1-170.1-61.700113.5L251 R255 F260 L298 F299 E305L251-M302 HydrophobicContact CB-CE 3.43Å; L251-M302 VanDerWaalsContact CB-CE 3.43Å; L251-M302 HydrophobicContact CD1-CE 4.24Å; L251-M302 WeakPolarHBondContact O-CE 3.23Å; R255-M302 HydrophobicContact CB-SD 4.49Å; F260-M302 HydrophobicContact CE1-CB 4.01Å; F260-M302 HydrophobicContact CE2-CE 4.37Å; F260-M302 HydrophobicContact CZ-CB 3.56Å; F260-M302 HydrophobicContact CZ-CE 4.12Å; L298-M302 WeakPolarHBondContact O-CB 3.26Å; L298-M302 VanDerWaalsContact O-CG 3.31Å; L298-M302 WeakPolarHBondContact O-CG 3.21Å; L298-M302 PolarHBondContact O-N 3.43Å; F299-M302 PolarHBondContact O-N 3.47Å; M302-E305 PolarHBondContact O-N 3.16Å
303L79.3Confident66Low10 Ų1085.7 Ų85.75%0.05251%0.507CS..Hα-helixtrans-72-33174.9-116.450.8000113F260 M263 R264 I267 L274 F299 I300 Q301 E305F260-L303 HydrophobicContact CD2-CD1 4.15Å; F260-L303 HydrophobicContact CE1-CD1 3.98Å; F260-L303 HydrophobicContact CE2-CD1 3.39Å; F260-L303 HydrophobicContact CZ-CD1 3.28Å; M263-L303 HydrophobicContact CE-CD1 3.58Å; M263-L303 HydrophobicContact CG-CD1 4.18Å; M263-L303 HydrophobicContact SD-CD1 4.48Å; R264-L303 HydrophobicContact CB-CD1 4.38Å; R264-L303 VanDerWaalsContact CG-O 3.28Å; R264-L303 WeakPolarHBondContact CG-O 3.27Å; I267-L303 HydrophobicContact CD1-CD2 3.15Å; I267-L303 HydrophobicContact CD1-CG 3.73Å; I267-L303 HydrophobicContact CG1-CD2 4.48Å; L274-L303 HydrophobicContact CD1-CD2 4.16Å; F299-L303 HydrophobicContact CD1-CD2 4.05Å; F299-L303 HydrophobicContact CE1-CD2 3.7Å; F299-L303 HydrophobicContact CZ-CD2 4.37Å; F299-L303 WeakPolarHBondContact O-CB 3.29Å; F299-L303 PolarHBondContact O-N 3.23Å; I300-L303 WeakPolarHBondContact O-CB 3.05Å; I300-L303 PolarHBondContact O-N 3.09Å; Q301-L303 VanDerWaalsContact C-N 3.28Å; Q301-L303 PolarHBondContact O-N 2.87Å; L303-E305 VanDerWaalsContact C-N 3.3Å
304N76.9Confident64.1Low123 Ų12387.5 Ų87.566%0.65852%0.517SS*.Hα-helixtrans-86.9-4.1175.4-72.5-74.2000112.4I300 Q301I300-N304 PolarHBondContact O-N 3.11Å; I300-N304 VanDerWaalsContact O-N 3.08Å; I300-N304 PolarHBondContact O-ND2 3.27Å; Q301-N304 PolarHBondContact O-N 2.88Å
305E74.3Confident62.2Low59 Ų5989.7 Ų89.728%0.27653%0.527SS..SBendtrans-83124.1179.5-150.3-169.3109.900112R255 R264 Q301 M302 L303R255-E305 IonicContact CZ-OE1 3.8Å; R255-E305 IonicContact NH1-OE1 3.95Å; R255-E305 PolarHBondContact NH1-OE1 3.13Å; R255-E305 IonicContact NH1-OE2 3.04Å; R255-E305 PolarHBondContact NH1-OE2 2.98Å; R255-E305 IonicContact NH2-OE1 2.99Å; R255-E305 PolarHBondContact NH2-OE1 3.04Å; R264-E305 PolarHBondContact NH1-O 3.46Å; R264-E305 VanDerWaalsContact NH1-O 3.08Å; Q301-E305 PolarHBondContact O-N 3.03Å; Q301-E305 VanDerWaalsContact O-N 3.14Å; M302-E305 PolarHBondContact O-N 3.16Å; L303-E305 VanDerWaalsContact C-N 3.3Å
306P56.8Low60.2Low76 Ų7694.2 Ų94.249%0.49456%0.558SS.*  trans-65.3139.2174.427.2-33.2000110.5G308P306-G308 VanDerWaalsContact C-N 3.33Å; P306-G308 PolarHBondContact O-N 3.5Å
307V54.2Low58Low97 Ų9793 Ų9359%0.58857%0.573SS**THydrogen-bonded Turntrans-7098.8171.8131.90000104.8L261 R264L261-V307 HydrophobicContact CD2-CG2 4.08Å; R264-V307 VanDerWaalsContact CZ-CG2 3.42Å; R264-V307 VanDerWaalsContact NH1-CA 3.32Å
308G50.9Low56.1Low69 Ų6994.3 Ų94.371%0.71158%0.579SS**THydrogen-bonded Turntrans170.9-25.5-176.800000115.6P306P306-G308 VanDerWaalsContact C-N 3.33Å; P306-G308 PolarHBondContact O-N 3.5Å
309E45.5Very low54.3Low162 Ų162100 Ų10076%0.75761%0.606SS**  trans-113.285.9-173.3-120.3164.586.700111.7
310G43Very low52.1Low81 Ų81103.2 Ų103.284%0.83564%0.641SS**  trans-149.923.5164.800000111.3
311G36.2Very low49.8Very low68 Ų68104.8 Ų104.870%0.70166%0.664SS**  trans-107.498.6173.800000108.6A313G311-A313 PolarHBondContact O-N 3.15Å
312D35.4Very low48.1Very low151 Ų151103.6 Ų103.681%0.80768%0.678SS**  trans-52.8117167.5-167.6-102000109.2
313A39.3Very low46.1Very low88 Ų88106.2 Ų106.273%0.72771%0.708SS**  trans-80.3135.5160.500000107.8G311G311-A313 PolarHBondContact O-N 3.15Å
314P42.3Very low43.9Very low110 Ų110114.9 Ų114.971%0.71475%0.748SS**  -120.7124.8123.732-25.4000111
315E46.1Very low42.2Very low180 Ų180118.7 Ų118.784%0.84176%0.762SS**  trans-40.9124.2155-174.1-171122.500112.4
316V40.4Very low40.2Very low144 Ų144119 Ų11987%0.87378%0.782SS**  -173.7130.1129.4-86.10000110.8
317G30.4Very low39.2Very low76 Ų76119.5 Ų119.578%0.78479%0.792SS**  trans120.160.615300000118.9
318E39Very low38.4Very low200 Ų200121.1 Ų121.194%0.93581%0.805SS**  trans18.3103.3131.4-169.6161.687.800118.9
319M38.5Very low38.3Very low181 Ų181123.3 Ų123.389%0.89280%0.804SS**  -163.5110.7129-170.387.2-178.400108
320G32.6Very low38.5Very low72 Ų72121.8 Ų121.874%0.74280%0.801SS**  trans-70140.6176.200000112.7
321A31Very low38.4Very low101 Ų101128.2 Ų128.284%0.83580%0.801SS**  trans-147.193.5144.700000107.4G323A321-G323 PolarHBondContact O-N 2.98Å
322A43.8Very low39.5Very low114 Ų114129.2 Ų129.294%0.94279%0.79SS**  trans-64.1121.5161.300000107.8
323G31.7Very low40.1Very low69 Ų69130.6 Ų130.671%0.71179%0.791SS**  trans-168.791-179.600000111A321A321-G323 PolarHBondContact O-N 2.98Å
324E33.8Very low41.1Very low191 Ų191129.3 Ų129.389%0.89377%0.774SS**  trans83.497.5146.4-139.5132.490.700118.5G326E324-G326 PolarHBondContact O-N 2.92Å
325E41.7Very low42.7Very low204 Ų204127.3 Ų127.395%0.95376%0.76SS**  trans-58.7123.4147-75-176.978.700109.8
326G31.4Very low44.2Very low66 Ų66124 Ų12468%0.6875%0.754SS**  trans-166.889.6176.800000113.1E324E324-G326 PolarHBondContact O-N 2.92Å
327A35.5Very low45.9Very low86 Ų86124.9 Ų124.971%0.71175%0.749SS**  trans88.2138.8164.700000118.6V329A327-V329 VanDerWaalsContact C-N 3.32Å; A327-V329 PolarHBondContact O-N 3.01Å
328P39.2Very low48.4Very low131 Ų131121.6 Ų121.685%0.85171%0.713SS**  trans-71.789.6170.931.2-32.8000108.7N330P328-N330 PolarHBondContact O-N 3.35Å; P328-N330 VanDerWaalsContact O-N 3.13Å
329V48.7Very low50.4Low114 Ų114118.4 Ų118.469%0.69170%0.696SS**  trans-68.1111.8167.2-1660000106.3A327 Y331A327-V329 VanDerWaalsContact C-N 3.32Å; A327-V329 PolarHBondContact O-N 3.01Å; V329-Y331 PolarHBondContact O-N 3.37Å
330N48Very low52.6Low131 Ų131114.9 Ų114.970%0.70168%0.677SS**  trans-50.6100.2174.7-174.927.3000108.9P328 I332P328-N330 PolarHBondContact O-N 3.35Å; P328-N330 VanDerWaalsContact O-N 3.13Å; N330-I332 VanDerWaalsContact C-N 3.34Å; N330-I332 WeakPolarHBondContact O-CD1 2.88Å; N330-I332 PolarHBondContact O-N 2.88Å
331Y42.6Very low54.9Low215 Ų215111.7 Ų111.784%0.84364%0.644SS**  trans-7092.5-179.9-109.2-95.4000108.4V329 Q333V329-Y331 PolarHBondContact O-N 3.37Å; Y331-Q333 PolarHBondContact O-N 3.43Å
332I58.6Low57.4Low90 Ų90107.2 Ų107.246%0.46261%0.606SS.*  trans-67117.5159.9-62.3107.6000105.8N330 V334 F360N330-I332 VanDerWaalsContact C-N 3.34Å; N330-I332 WeakPolarHBondContact O-CD1 2.88Å; N330-I332 PolarHBondContact O-N 2.88Å; I332-V334 VanDerWaalsContact C-N 3.34Å; I332-V334 PolarHBondContact O-N 2.9Å; I332-F360 HydrophobicContact CG2-CE1 3.95Å; I332-F360 HydrophobicContact CG2-CE2 4.3Å; I332-F360 HydrophobicContact CG2-CZ 3.62Å
333Q48Very low59.4Low179 Ų179107.1 Ų107.184%0.83659%0.586SS**  trans-62.398.5173.6-75.6179.425.700108.6Y331 T335Y331-Q333 PolarHBondContact O-N 3.43Å; Q333-T335 PolarHBondContact O-N 3.45Å
334V60.8Low61.9Low62 Ų62110.3 Ų110.338%0.37658%0.577SS.*  trans-68.7112.6172.8-177.90000107I332 E338 K339 I342I332-V334 VanDerWaalsContact C-N 3.34Å; I332-V334 PolarHBondContact O-N 2.9Å; V334-E338 HydrophobicContact CG1-CB 3.66Å; V334-K339 HydrophobicContact CG1-CB 4.02Å; V334-I342 HydrophobicContact CG1-CD1 3.86Å
335T75.4Confident64.2Low67 Ų67101.4 Ų101.441%0.41154%0.535SS..  trans-64.4152.5172.159.90000109.9Q333 Q337 E338 K339Q333-T335 PolarHBondContact O-N 3.45Å; T335-Q337 PolarHBondContact O-N 3.44Å; T335-Q337 VanDerWaalsContact O-N 3.08Å; T335-E338 WeakPolarHBondContact CB-OE2 3.4Å; T335-E338 PolarHBondContact N-OE2 3.24Å; T335-E338 WeakPolarHBondContact O-CB 3.34Å; T335-E338 PolarHBondContact O-N 2.94Å; T335-E338 WeakPolarHBondContact OG1-CG 3.44Å; T335-E338 PolarHBondContact OG1-OE2 3.27Å; T335-K339 PolarHBondContact O-N 3.26Å; T335-K339 VanDerWaalsContact O-N 3.11Å
336P77.6Confident66.2Low111 Ų11195.9 Ų95.972%0.72151%0.508SS*.Hα-helixtrans-56.8-30.2-175.617.3-30.2000113.8K339 E340P336-K339 PolarHBondContact O-N 2.85Å; P336-E340 PolarHBondContact O-N 3.33Å
337Q76.6Confident68.8Low163 Ų16397 Ų9776%0.76251%0.511SS*.Hα-helixtrans-67.5-39.3175.1-120.5169.535.600112.9T335 E340 A341T335-Q337 PolarHBondContact O-N 3.44Å; T335-Q337 VanDerWaalsContact O-N 3.08Å; Q337-E340 PolarHBondContact O-N 3.44Å; Q337-A341 PolarHBondContact O-N 3.38Å
338E81.1Confident70.9Confident6 Ų698.7 Ų98.73%0.02851%0.507CS..Hα-helixtrans-70.2-38.3178.4-60.5166.4140.300110V334 T335 E340 A341 I342 Y359 K364V334-E338 HydrophobicContact CG1-CB 3.66Å; T335-E338 WeakPolarHBondContact CB-OE2 3.4Å; T335-E338 PolarHBondContact N-OE2 3.24Å; T335-E338 WeakPolarHBondContact O-CB 3.34Å; T335-E338 PolarHBondContact O-N 2.94Å; T335-E338 WeakPolarHBondContact OG1-CG 3.44Å; T335-E338 PolarHBondContact OG1-OE2 3.27Å; E338-E340 VanDerWaalsContact C-N 3.32Å; E338-E340 PolarHBondContact O-N 3.41Å; E338-A341 PolarHBondContact O-N 3.15Å; E338-I342 WeakPolarHBondContact O-CB 3.44Å; E338-I342 WeakPolarHBondContact O-CD1 3.43Å; E338-I342 WeakPolarHBondContact O-CG1 3.37Å; E338-I342 PolarHBondContact O-N 3.27Å; E338-Y359 HydrophobicContact CB-CE1 4Å; E338-Y359 HydrophobicContact CG-CE1 3.8Å; E338-K364 WeakPolarHBondContact OE1-CD 3.42Å; E338-K364 WeakPolarHBondContact OE1-CE 3.44Å; E338-K364 IonicContact OE1-NZ 2.64Å; E338-K364 PolarHBondContact OE1-NZ 3.36Å
339K81.9Confident72.8Confident134 Ų13495.6 Ų95.658%0.58350%0.499SS*.Hα-helixtrans-60.1-41.1175.1-170.2-178.6176.9-177.70111.9V334 T335 P336 I342 E343V334-K339 HydrophobicContact CG1-CB 4.02Å; T335-K339 PolarHBondContact O-N 3.26Å; T335-K339 VanDerWaalsContact O-N 3.11Å; P336-K339 PolarHBondContact O-N 2.85Å; K339-I342 PolarHBondContact O-N 2.82Å; K339-E343 WeakPolarHBondContact O-CB 3.47Å; K339-E343 PolarHBondContact O-N 2.91Å
340E83.8Confident74.4Confident106 Ų10692.3 Ų92.350%0.49548%0.475SS..Hα-helixtrans-66.4-42.6177.6-129.1-17010000112.2P336 Q337 E338 E343 R344P336-E340 PolarHBondContact O-N 3.33Å; Q337-E340 PolarHBondContact O-N 3.44Å; E338-E340 VanDerWaalsContact C-N 3.32Å; E338-E340 PolarHBondContact O-N 3.41Å; E340-E343 PolarHBondContact O-N 2.81Å; E340-R344 PolarHBondContact O-N 3.44Å; E340-R344 IonicContact OE1-CZ 2.61Å; E340-R344 IonicContact OE1-NH2 2.78Å; E340-R344 PolarHBondContact OE1-NH2 3.32Å
341A81.3Confident76.1Confident5 Ų589.5 Ų89.54%0.04147%0.465CS..Hα-helixtrans-64.3-42.5175.600000111.5Q337 E338 E343 R344 L345 Y359 E366Q337-A341 PolarHBondContact O-N 3.38Å; E338-A341 PolarHBondContact O-N 3.15Å; A341-E343 VanDerWaalsContact C-N 3.29Å; A341-E343 PolarHBondContact O-N 3.47Å; A341-R344 PolarHBondContact O-N 3.3Å; A341-L345 WeakPolarHBondContact O-CB 3.47Å; A341-L345 WeakPolarHBondContact O-CD1 3.36Å; A341-L345 WeakPolarHBondContact O-CG 3.43Å; A341-L345 PolarHBondContact O-N 3.05Å; A341-Y359 HydrophobicContact CB-CD2 4.29Å; A341-Y359 HydrophobicContact CB-CE2 3.49Å; A341-Y359 VanDerWaalsContact CB-CE2 3.49Å; A341-E366 HydrophobicContact CB-CB 4.44Å; A341-E366 HydrophobicContact CB-CG 4.27Å
342I83.9Confident78Confident8 Ų883.8 Ų83.84%0.04145%0.445CS..Hα-helixtrans-60.9-39.5174.2-66.9157.4000110.7V334 E338 K339 L345 K346 E352 V355 I356V334-I342 HydrophobicContact CG1-CD1 3.86Å; E338-I342 WeakPolarHBondContact O-CB 3.44Å; E338-I342 WeakPolarHBondContact O-CD1 3.43Å; E338-I342 WeakPolarHBondContact O-CG1 3.37Å; E338-I342 PolarHBondContact O-N 3.27Å; K339-I342 PolarHBondContact O-N 2.82Å; I342-L345 PolarHBondContact O-N 2.89Å; I342-K346 VanDerWaalsContact O-CB 3.28Å; I342-K346 WeakPolarHBondContact O-CB 3.48Å; I342-K346 PolarHBondContact O-N 3.3Å; I342-E352 HydrophobicContact CG2-CG 3.89Å; I342-V355 HydrophobicContact CB-CG1 4.1Å; I342-V355 HydrophobicContact CG1-CG1 4.11Å; I342-V355 HydrophobicContact CG2-CB 4.48Å; I342-V355 HydrophobicContact CG2-CG1 3.88Å; I342-I356 HydrophobicContact CD1-CG1 3.69Å; I342-I356 HydrophobicContact CG1-CG1 4.09Å; I342-I356 HydrophobicContact CG2-CG1 4.08Å
343E85.9Confident79.1Confident111 Ų11183.1 Ų83.152%0.51945%0.453SS..Hα-helixtrans-69.2-37.2179.5-163.4169.8100.600112.6K339 E340 A341 K346 A347K339-E343 WeakPolarHBondContact O-CB 3.47Å; K339-E343 PolarHBondContact O-N 2.91Å; E340-E343 PolarHBondContact O-N 2.81Å; A341-E343 VanDerWaalsContact C-N 3.29Å; A341-E343 PolarHBondContact O-N 3.47Å; E343-K346 PolarHBondContact O-N 3.34Å; E343-A347 WeakPolarHBondContact O-CB 3.44Å; E343-A347 PolarHBondContact O-N 3.1Å
344R84.3Confident80.8Confident137 Ų13778.8 Ų78.852%0.51744%0.436SS..Hα-helixtrans-66.4-42.5172.5-71.4-179.8-170.31727.9112.3E340 A341 K346 A347 L348 E366E340-R344 PolarHBondContact O-N 3.44Å; E340-R344 IonicContact OE1-CZ 2.61Å; E340-R344 IonicContact OE1-NH2 2.78Å; E340-R344 PolarHBondContact OE1-NH2 3.32Å; A341-R344 PolarHBondContact O-N 3.3Å; R344-K346 VanDerWaalsContact C-N 3.32Å; R344-A347 WeakPolarHBondContact O-CB 3.28Å; R344-A347 PolarHBondContact O-N 3.41Å; R344-L348 WeakPolarHBondContact O-CG 3.26Å; R344-L348 PolarHBondContact O-N 3.47Å; R344-E366 IonicContact NH1-OE2 3.03Å
345L82.9Confident81.9Confident3 Ų375.9 Ų75.92%0.01642%0.418CS..Hα-helixtrans-66.2-34.9175.2-75.6156.4000111.5A341 I342 L348 F350 V355 Y359 E366 A369 A370 L373A341-L345 WeakPolarHBondContact O-CB 3.47Å; A341-L345 WeakPolarHBondContact O-CD1 3.36Å; A341-L345 WeakPolarHBondContact O-CG 3.43Å; A341-L345 PolarHBondContact O-N 3.05Å; I342-L345 PolarHBondContact O-N 2.89Å; L345-L348 WeakPolarHBondContact O-CB 3.22Å; L345-L348 PolarHBondContact O-N 3.44Å; L345-F350 WeakPolarHBondContact O-CD2 3.49Å; L345-V355 HydrophobicContact CB-CB 4.33Å; L345-V355 HydrophobicContact CB-CG1 3.37Å; L345-V355 HydrophobicContact CB-CG2 3.93Å; L345-V355 HydrophobicContact CD1-CG1 3.76Å; L345-V355 HydrophobicContact CG-CG1 4.15Å; L345-Y359 HydrophobicContact CD1-CD2 4.11Å; L345-E366 HydrophobicContact CD1-CG 4.27Å; L345-A369 HydrophobicContact CD1-CB 4.33Å; L345-A370 HydrophobicContact CD2-CB 3.76Å; L345-L373 HydrophobicContact CD2-CD1 4.04Å
346K83.9Confident82.3Confident89 Ų8975.1 Ų75.139%0.38741%0.411SS..Hα-helixtrans-68.6-37.5171.9-173.7171.667.7-174.70112.4I342 E343 R344 L348 G349 E352I342-K346 VanDerWaalsContact O-CB 3.28Å; I342-K346 WeakPolarHBondContact O-CB 3.48Å; I342-K346 PolarHBondContact O-N 3.3Å; E343-K346 PolarHBondContact O-N 3.34Å; R344-K346 VanDerWaalsContact C-N 3.32Å; K346-L348 PolarHBondContact O-N 2.94Å; K346-G349 PolarHBondContact O-N 3.03Å; K346-E352 HydrophobicContact CD-CB 4.24Å; K346-E352 IonicContact NZ-OE2 2.78Å; K346-E352 PolarHBondContact NZ-OE2 3.39Å
347A85.7Confident82.5Confident89 Ų8976.4 Ų76.474%0.73641%0.407SS*.Hα-helixtrans-64.5-22.8175.800000113.1E343 R344 G349E343-A347 WeakPolarHBondContact O-CB 3.44Å; E343-A347 PolarHBondContact O-N 3.1Å; R344-A347 WeakPolarHBondContact O-CB 3.28Å; R344-A347 PolarHBondContact O-N 3.41Å; A347-G349 PolarHBondContact O-N 2.99Å
348L79.8Confident82.7Confident122 Ų12268.8 Ų68.864%0.63937%0.372SS*.THydrogen-bonded Turntrans-77.9-2.6171.8-69162.4000113.3R344 L345 K346 F350R344-L348 WeakPolarHBondContact O-CG 3.26Å; R344-L348 PolarHBondContact O-N 3.47Å; L345-L348 WeakPolarHBondContact O-CB 3.22Å; L345-L348 PolarHBondContact O-N 3.44Å; K346-L348 PolarHBondContact O-N 2.94Å; L348-F350 HydrophobicContact CB-CD2 3.87Å; L348-F350 HydrophobicContact CB-CE2 3.87Å
349G78.4Confident82.9Confident66 Ų6669.4 Ų69.468%0.6837%0.374SS*.THydrogen-bonded Turntrans98.65.5174.800000115.1K346 A347K346-G349 PolarHBondContact O-N 3.03Å; A347-G349 PolarHBondContact O-N 2.99Å
350F81.8Confident83.1Confident44 Ų4466.1 Ų66.119%0.19336%0.36CS..  trans-85.1140.4178.3-59.8-77.8000111.6L345 L348 V355 L373 L374L345-F350 WeakPolarHBondContact O-CD2 3.49Å; L348-F350 HydrophobicContact CB-CD2 3.87Å; L348-F350 HydrophobicContact CB-CE2 3.87Å; F350-V355 HydrophobicContact CB-CG2 3.54Å; F350-L373 HydrophobicContact CD1-CB 4.06Å; F350-L373 HydrophobicContact CE1-CB 4.01Å; F350-L373 HydrophobicContact CG-CB 4.4Å; F350-L373 HydrophobicContact CG-CD1 4.42Å; F350-L373 HydrophobicContact CZ-CB 4.32Å; F350-L374 HydrophobicContact CZ-CD2 4.47Å; F350-L374 HydrophobicContact CZ-CG 4.17Å
351P84.9Confident83.1Confident73 Ų7364.7 Ų64.747%0.47437%0.366SS..  trans-69.2136.5179.927.1-32.9000111.5A353 L354 V355P351-A353 PolarHBondContact O-N 3.39Å; P351-A353 VanDerWaalsContact O-N 3.11Å; P351-L354 HydrophobicContact CG-CB 4.08Å; P351-L354 HydrophobicContact CG-CD1 3.7Å; P351-L354 HydrophobicContact CG-CG 3.93Å; P351-L354 PolarHBondContact O-N 2.61Å; P351-V355 WeakPolarHBondContact O-CG2 3.24Å; P351-V355 PolarHBondContact O-N 3.28Å
352E81.4Confident83.3Confident94 Ų9465.4 Ų65.444%0.43937%0.371SS..Hα-helixtrans-53.2-37.8-172.1-168.6172.4107.700113.5I342 K346 V355 I356I342-E352 HydrophobicContact CG2-CG 3.89Å; K346-E352 HydrophobicContact CD-CB 4.24Å; K346-E352 IonicContact NZ-OE2 2.78Å; K346-E352 PolarHBondContact NZ-OE2 3.39Å; E352-V355 PolarHBondContact O-N 2.64Å; E352-I356 HydrophobicContact CG-CD1 3.87Å; E352-I356 HydrophobicContact CG-CG1 4.45Å; E352-I356 WeakPolarHBondContact O-CD1 3.38Å; E352-I356 VanDerWaalsContact O-CG1 3.22Å; E352-I356 WeakPolarHBondContact O-CG1 3.16Å; E352-I356 PolarHBondContact O-N 3.44Å
353A81.8Confident83.4Confident76 Ų7673.8 Ų73.863%0.62841%0.41SS*.Hα-helixtrans-63.1-43.1178.100000113.1P351 Q357P351-A353 PolarHBondContact O-N 3.39Å; P351-A353 VanDerWaalsContact O-N 3.11Å; A353-Q357 WeakPolarHBondContact O-CB 3.43Å; A353-Q357 PolarHBondContact O-N 3.47Å; A353-Q357 VanDerWaalsContact O-N 3.15Å
354L83.4Confident83.3Confident89 Ų8973.7 Ų73.747%0.46641%0.408SS..Hα-helixtrans-72.1-35.4176.7-68.7-176.6000111.3P351 Q357 A358 L373P351-L354 HydrophobicContact CG-CB 4.08Å; P351-L354 HydrophobicContact CG-CD1 3.7Å; P351-L354 HydrophobicContact CG-CG 3.93Å; P351-L354 PolarHBondContact O-N 2.61Å; L354-Q357 PolarHBondContact O-N 2.84Å; L354-A358 VanDerWaalsContact O-CB 3.24Å; L354-A358 WeakPolarHBondContact O-CB 3.46Å; L354-A358 PolarHBondContact O-N 3.33Å; L354-L373 HydrophobicContact CB-CD2 4.07Å
355V83.7Confident83.4Confident0 Ų070.4 Ų70.40%040%0.401CS..Hα-helixtrans-62.3-49.3176.8173.60000111I342 L345 F350 P351 E352 Q357 A358 Y359 L373I342-V355 HydrophobicContact CB-CG1 4.1Å; I342-V355 HydrophobicContact CG1-CG1 4.11Å; I342-V355 HydrophobicContact CG2-CB 4.48Å; I342-V355 HydrophobicContact CG2-CG1 3.88Å; L345-V355 HydrophobicContact CB-CB 4.33Å; L345-V355 HydrophobicContact CB-CG1 3.37Å; L345-V355 HydrophobicContact CB-CG2 3.93Å; L345-V355 HydrophobicContact CD1-CG1 3.76Å; L345-V355 HydrophobicContact CG-CG1 4.15Å; F350-V355 HydrophobicContact CB-CG2 3.54Å; P351-V355 WeakPolarHBondContact O-CG2 3.24Å; P351-V355 PolarHBondContact O-N 3.28Å; E352-V355 PolarHBondContact O-N 2.64Å; V355-Q357 VanDerWaalsContact C-N 3.32Å; V355-Q357 PolarHBondContact O-N 3.34Å; V355-A358 PolarHBondContact O-N 3.01Å; V355-Y359 WeakPolarHBondContact O-CB 3.36Å; V355-Y359 PolarHBondContact O-N 3.23Å; V355-L373 HydrophobicContact CB-CD1 4.5Å; V355-L373 HydrophobicContact CG2-CD1 4.01Å
356I83.4Confident83.4Confident52 Ų5273.4 Ų73.427%0.26742%0.415SS..Hα-helixtrans-59.2-47.2177.2-67163.7000109.7I342 E352 Y359 F360I342-I356 HydrophobicContact CD1-CG1 3.69Å; I342-I356 HydrophobicContact CG1-CG1 4.09Å; I342-I356 HydrophobicContact CG2-CG1 4.08Å; E352-I356 HydrophobicContact CG-CD1 3.87Å; E352-I356 HydrophobicContact CG-CG1 4.45Å; E352-I356 WeakPolarHBondContact O-CD1 3.38Å; E352-I356 VanDerWaalsContact O-CG1 3.22Å; E352-I356 WeakPolarHBondContact O-CG1 3.16Å; E352-I356 PolarHBondContact O-N 3.44Å; I356-Y359 PolarHBondContact O-N 3.14Å; I356-F360 HydrophobicContact CG2-CD2 3.77Å; I356-F360 HydrophobicContact CG2-CE2 3.94Å; I356-F360 VanDerWaalsContact O-CD2 3.26Å; I356-F360 WeakPolarHBondContact O-CD2 3.31Å; I356-F360 PolarHBondContact O-N 2.78Å
357Q82Confident83.5Confident138 Ų13875 Ų7565%0.64543%0.427SS*.Hα-helixtrans-62.1-47.4-179.9-174.9173.5-8.900112.5A353 L354 V355 Y359 A361A353-Q357 WeakPolarHBondContact O-CB 3.43Å; A353-Q357 PolarHBondContact O-N 3.47Å; A353-Q357 VanDerWaalsContact O-N 3.15Å; L354-Q357 PolarHBondContact O-N 2.84Å; V355-Q357 VanDerWaalsContact C-N 3.32Å; V355-Q357 PolarHBondContact O-N 3.34Å; Q357-Y359 VanDerWaalsContact C-N 3.34Å; Q357-A361 WeakPolarHBondContact O-CB 3.45Å; Q357-A361 PolarHBondContact O-N 3.32Å
358A82.1Confident83.4Confident3 Ų375.5 Ų75.53%0.02542%0.417CS..Hα-helixtrans-65.7-38177.600000111.9L354 V355 A361 C362 F372 L373L354-A358 VanDerWaalsContact O-CB 3.24Å; L354-A358 WeakPolarHBondContact O-CB 3.46Å; L354-A358 PolarHBondContact O-N 3.33Å; V355-A358 PolarHBondContact O-N 3.01Å; A358-A361 PolarHBondContact O-N 3.47Å; A358-C362 VanDerWaalsContact O-CB 3.26Å; A358-C362 WeakPolarHBondContact O-CB 3.49Å; A358-C362 PolarHBondContact O-N 3.49Å; A358-C362 PolarHBondContact O-SG 2.84Å; A358-F372 HydrophobicContact CB-CD1 3.86Å; A358-F372 HydrophobicContact CB-CE1 4.45Å; A358-L373 HydrophobicContact CB-CD1 3.99Å; A358-L373 HydrophobicContact CB-CD2 3.77Å; A358-L373 HydrophobicContact CB-CG 3.65Å
359Y85.1Confident83.7Confident19 Ų1969.7 Ų69.78%0.07539%0.387CS..Hα-helixtrans-65.7-44.2179.1-170.3-92.8000112E338 A341 L345 V355 I356 Q357 C362 K364 E366 A369E338-Y359 HydrophobicContact CB-CE1 4Å; E338-Y359 HydrophobicContact CG-CE1 3.8Å; A341-Y359 HydrophobicContact CB-CD2 4.29Å; A341-Y359 HydrophobicContact CB-CE2 3.49Å; A341-Y359 VanDerWaalsContact CB-CE2 3.49Å; L345-Y359 HydrophobicContact CD1-CD2 4.11Å; V355-Y359 WeakPolarHBondContact O-CB 3.36Å; V355-Y359 PolarHBondContact O-N 3.23Å; I356-Y359 PolarHBondContact O-N 3.14Å; Q357-Y359 VanDerWaalsContact C-N 3.34Å; Y359-C362 PolarHBondContact O-N 2.9Å; Y359-K364 HydrophobicContact CD1-CB 4.34Å; Y359-K364 VanDerWaalsContact CE1-CA 3.47Å; Y359-K364 HydrophobicContact CE1-CB 3.63Å; Y359-K364 HydrophobicContact CE1-CG 4.08Å; Y359-K364 VanDerWaalsContact O-CA 3.32Å; Y359-K364 WeakPolarHBondContact O-CA 3.27Å; Y359-K364 PolarHBondContact O-N 3Å; Y359-K364 PolarHBondContact OH-O 3.04Å; Y359-K364 VanDerWaalsContact OH-O 3.13Å; Y359-E366 HydrophobicContact CE2-CB 4.24Å; Y359-A369 HydrophobicContact CD2-CB 4.08Å
360F85.1Confident83.9Confident64 Ų6467.4 Ų67.428%0.28136%0.362SS..Hα-helixtrans-72.9-33.8173.9-80.4-77.5000112.8I332 I356 C362 E363 K364I332-F360 HydrophobicContact CG2-CE1 3.95Å; I332-F360 HydrophobicContact CG2-CE2 4.3Å; I332-F360 HydrophobicContact CG2-CZ 3.62Å; I356-F360 HydrophobicContact CG2-CD2 3.77Å; I356-F360 HydrophobicContact CG2-CE2 3.94Å; I356-F360 VanDerWaalsContact O-CD2 3.26Å; I356-F360 WeakPolarHBondContact O-CD2 3.31Å; I356-F360 PolarHBondContact O-N 2.78Å; F360-C362 VanDerWaalsContact C-N 3.28Å; F360-C362 PolarHBondContact O-N 2.92Å; F360-E363 PolarHBondContact O-N 2.9Å; F360-K364 HydrophobicContact CD1-CG 4.47Å; F360-K364 HydrophobicContact CE1-CG 4.49Å
361A84.3Confident84Confident76 Ų7670 Ų7063%0.62838%0.378SS*.Hα-helixtrans-65.4-32.3174.100000112.5Q357 A358 E363Q357-A361 WeakPolarHBondContact O-CB 3.45Å; Q357-A361 PolarHBondContact O-N 3.32Å; A358-A361 PolarHBondContact O-N 3.47Å; A361-E363 VanDerWaalsContact C-N 3.26Å; A361-E363 PolarHBondContact O-N 2.85Å
362C85.4Confident84Confident21 Ų2170.9 Ų70.914%0.14237%0.374CS..THydrogen-bonded Turntrans-91.224176.9-62.60000113A358 Y359 F360 K364 N365 L368 A369A358-C362 VanDerWaalsContact O-CB 3.26Å; A358-C362 WeakPolarHBondContact O-CB 3.49Å; A358-C362 PolarHBondContact O-N 3.49Å; A358-C362 PolarHBondContact O-SG 2.84Å; Y359-C362 PolarHBondContact O-N 2.9Å; F360-C362 VanDerWaalsContact C-N 3.28Å; F360-C362 PolarHBondContact O-N 2.92Å; C362-K364 VanDerWaalsContact C-N 3.27Å; C362-K364 PolarHBondContact O-N 3.11Å; C362-N365 VanDerWaalsContact O-CB 3.28Å; C362-N365 WeakPolarHBondContact O-CB 3.46Å; C362-N365 PolarHBondContact O-N 3.14Å; C362-L368 HydrophobicContact CB-CB 3.76Å; C362-A369 HydrophobicContact CB-CB 4.26Å
363E86.2Confident84.1Confident184 Ų18467 Ų6786%0.8636%0.357SS*.THydrogen-bonded Turntrans58.536.1174.1-143.3175.9112.100113.4F360 A361F360-E363 PolarHBondContact O-N 2.9Å; A361-E363 VanDerWaalsContact C-N 3.26Å; A361-E363 PolarHBondContact O-N 2.85Å
364K84.8Confident84Confident108 Ų10868.1 Ų68.147%0.4735%0.351SS..THydrogen-bonded Turntrans68.129.4-179.7-49175.4177.6-151.10114.4E338 Y359 F360 C362E338-K364 WeakPolarHBondContact OE1-CD 3.42Å; E338-K364 WeakPolarHBondContact OE1-CE 3.44Å; E338-K364 IonicContact OE1-NZ 2.64Å; E338-K364 PolarHBondContact OE1-NZ 3.36Å; Y359-K364 HydrophobicContact CD1-CB 4.34Å; Y359-K364 VanDerWaalsContact CE1-CA 3.47Å; Y359-K364 HydrophobicContact CE1-CB 3.63Å; Y359-K364 HydrophobicContact CE1-CG 4.08Å; Y359-K364 VanDerWaalsContact O-CA 3.32Å; Y359-K364 WeakPolarHBondContact O-CA 3.27Å; Y359-K364 PolarHBondContact O-N 3Å; Y359-K364 PolarHBondContact OH-O 3.04Å; Y359-K364 VanDerWaalsContact OH-O 3.13Å; F360-K364 HydrophobicContact CD1-CG 4.47Å; F360-K364 HydrophobicContact CE1-CG 4.49Å; C362-K364 VanDerWaalsContact C-N 3.27Å; C362-K364 PolarHBondContact O-N 3.11Å
365N85Confident83.7Confident68 Ų6868.9 Ų68.936%0.36436%0.356SS..  trans-100.9114.8177-169.1-64.6000111C362 N367 L368 A369C362-N365 VanDerWaalsContact O-CB 3.28Å; C362-N365 WeakPolarHBondContact O-CB 3.46Å; C362-N365 PolarHBondContact O-N 3.14Å; N365-N367 PolarHBondContact O-N 2.89Å; N365-N367 PolarHBondContact OD1-N 3.08Å; N365-N367 VanDerWaalsContact OD1-N 3.15Å; N365-L368 HydrophobicContact CB-CB 4.06Å; N365-L368 HydrophobicContact CB-CD1 3.98Å; N365-L368 HydrophobicContact CB-CG 4.22Å; N365-L368 PolarHBondContact O-N 2.91Å; N365-L368 PolarHBondContact OD1-N 3.08Å; N365-A369 VanDerWaalsContact O-CB 3.23Å; N365-A369 WeakPolarHBondContact O-CB 3.4Å; N365-A369 PolarHBondContact O-N 3.3Å
366E84.3Confident83.1Confident66 Ų6674.1 Ų74.131%0.30838%0.38SS..Hα-helixtrans-58.3-44-179.1-172.2-175.694.300112.3A341 R344 L345 Y359 A369 A370A341-E366 HydrophobicContact CB-CB 4.44Å; A341-E366 HydrophobicContact CB-CG 4.27Å; R344-E366 IonicContact NH1-OE2 3.03Å; L345-E366 HydrophobicContact CD1-CG 4.27Å; Y359-E366 HydrophobicContact CE2-CB 4.24Å; E366-A369 PolarHBondContact O-N 3.23Å; E366-A370 VanDerWaalsContact O-CB 3.31Å; E366-A370 WeakPolarHBondContact O-CB 3.48Å; E366-A370 PolarHBondContact O-N 3.36Å
367N85.8Confident82Confident122 Ų12274.3 Ų74.365%0.65240%0.395SS*.Hα-helixtrans-70.7-39.7-176.8-65.684.7000112.7N365 N371N365-N367 PolarHBondContact O-N 2.89Å; N365-N367 PolarHBondContact OD1-N 3.08Å; N365-N367 VanDerWaalsContact OD1-N 3.15Å; N367-N371 WeakPolarHBondContact O-CB 3.28Å; N367-N371 PolarHBondContact O-N 3.3Å
368L83.7Confident80.6Confident100 Ų10074.5 Ų74.552%0.52440%0.399SS..Hα-helixtrans-70.9-39.2176.1-68.9175000111C362 N365 N371 F372C362-L368 HydrophobicContact CB-CB 3.76Å; N365-L368 HydrophobicContact CB-CB 4.06Å; N365-L368 HydrophobicContact CB-CD1 3.98Å; N365-L368 HydrophobicContact CB-CG 4.22Å; N365-L368 PolarHBondContact O-N 2.91Å; N365-L368 PolarHBondContact OD1-N 3.08Å; L368-N371 PolarHBondContact O-N 3.41Å; L368-F372 WeakPolarHBondContact O-CB 3.38Å; L368-F372 PolarHBondContact O-N 2.96Å
369A85.5Confident79.2Confident0 Ų082 Ų820%043%0.434CS..Hα-helixtrans-62.5-43.7174.300000111.5L345 Y359 C362 N365 E366 F372 L373L345-A369 HydrophobicContact CD1-CB 4.33Å; Y359-A369 HydrophobicContact CD2-CB 4.08Å; C362-A369 HydrophobicContact CB-CB 4.26Å; N365-A369 VanDerWaalsContact O-CB 3.23Å; N365-A369 WeakPolarHBondContact O-CB 3.4Å; N365-A369 PolarHBondContact O-N 3.3Å; E366-A369 PolarHBondContact O-N 3.23Å; A369-F372 PolarHBondContact O-N 3.43Å; A369-L373 WeakPolarHBondContact O-CB 3.27Å; A369-L373 WeakPolarHBondContact O-CD1 3.37Å; A369-L373 WeakPolarHBondContact O-CG 3.42Å; A369-L373 PolarHBondContact O-N 3.21Å
370A82.9Confident77.5Confident19 Ų1988.4 Ų88.416%0.15747%0.47CS..Hα-helixtrans-59.6-50173.300000111.1L345 E366 F372 L373 L374L345-A370 HydrophobicContact CD2-CB 3.76Å; E366-A370 VanDerWaalsContact O-CB 3.31Å; E366-A370 WeakPolarHBondContact O-CB 3.48Å; E366-A370 PolarHBondContact O-N 3.36Å; A370-F372 VanDerWaalsContact C-N 3.32Å; A370-F372 PolarHBondContact O-N 3.14Å; A370-L373 PolarHBondContact O-N 3.36Å; A370-L374 HydrophobicContact CB-CD1 4.47Å; A370-L374 VanDerWaalsContact O-CB 3.27Å; A370-L374 WeakPolarHBondContact O-CB 3.48Å; A370-L374 VanDerWaalsContact O-CD1 3.28Å; A370-L374 WeakPolarHBondContact O-CD1 3.43Å; A370-L374 WeakPolarHBondContact O-CG 3.28Å; A370-L374 PolarHBondContact O-N 3.31Å
371N84.4Confident75.4Confident99 Ų9996.3 Ų96.353%0.52952%0.515SS..Hα-helixtrans-62.8-39.4-179.4-161.1-69.9000111.9N367 L368 L374 N375N367-N371 WeakPolarHBondContact O-CB 3.28Å; N367-N371 PolarHBondContact O-N 3.3Å; L368-N371 PolarHBondContact O-N 3.41Å; N371-L374 PolarHBondContact O-N 2.78Å; N371-N375 WeakPolarHBondContact O-CB 3.46Å; N371-N375 PolarHBondContact O-N 2.9Å
372F83.9Confident74.9Confident91 Ų9197.3 Ų97.340%0.39951%0.509SS..Hα-helixtrans-65.9-43175.7-175.3-97.4000112.3A358 L368 A369 A370 N375 Q376A358-F372 HydrophobicContact CB-CD1 3.86Å; A358-F372 HydrophobicContact CB-CE1 4.45Å; L368-F372 WeakPolarHBondContact O-CB 3.38Å; L368-F372 PolarHBondContact O-N 2.96Å; A369-F372 PolarHBondContact O-N 3.43Å; A370-F372 VanDerWaalsContact C-N 3.32Å; A370-F372 PolarHBondContact O-N 3.14Å; F372-N375 PolarHBondContact O-N 3.13Å; F372-Q376 HydrophobicContact CD1-CG 4.37Å; F372-Q376 HydrophobicContact CE1-CG 3.99Å; F372-Q376 HydrophobicContact CE2-CG 4.38Å; F372-Q376 HydrophobicContact CZ-CG 4Å; F372-Q376 WeakPolarHBondContact O-CB 3.39Å; F372-Q376 WeakPolarHBondContact O-CG 3.42Å; F372-Q376 PolarHBondContact O-N 3.41Å
373L83.3Confident74.4Confident13 Ų13101.3 Ų101.37%0.06853%0.528CS..Hα-helixtrans-67.8-37.4175.3-72.1163.3000112.5L345 F350 L354 V355 A358 A369 A370 G377L345-L373 HydrophobicContact CD2-CD1 4.04Å; F350-L373 HydrophobicContact CD1-CB 4.06Å; F350-L373 HydrophobicContact CE1-CB 4.01Å; F350-L373 HydrophobicContact CG-CB 4.4Å; F350-L373 HydrophobicContact CG-CD1 4.42Å; F350-L373 HydrophobicContact CZ-CB 4.32Å; L354-L373 HydrophobicContact CB-CD2 4.07Å; V355-L373 HydrophobicContact CB-CD1 4.5Å; V355-L373 HydrophobicContact CG2-CD1 4.01Å; A358-L373 HydrophobicContact CB-CD1 3.99Å; A358-L373 HydrophobicContact CB-CD2 3.77Å; A358-L373 HydrophobicContact CB-CG 3.65Å; A369-L373 WeakPolarHBondContact O-CB 3.27Å; A369-L373 WeakPolarHBondContact O-CD1 3.37Å; A369-L373 WeakPolarHBondContact O-CG 3.42Å; A369-L373 PolarHBondContact O-N 3.21Å; A370-L373 PolarHBondContact O-N 3.36Å; L373-G377 PolarHBondContact O-N 3.27Å
374L80.8Confident73.7Confident98 Ų9896.7 Ų96.751%0.51351%0.51SS..Hα-helixtrans-66.9-38.8174.9-84.2150.4000112F350 A370 N371F350-L374 HydrophobicContact CZ-CD2 4.47Å; F350-L374 HydrophobicContact CZ-CG 4.17Å; A370-L374 HydrophobicContact CB-CD1 4.47Å; A370-L374 VanDerWaalsContact O-CB 3.27Å; A370-L374 WeakPolarHBondContact O-CB 3.48Å; A370-L374 VanDerWaalsContact O-CD1 3.28Å; A370-L374 WeakPolarHBondContact O-CD1 3.43Å; A370-L374 WeakPolarHBondContact O-CG 3.28Å; A370-L374 PolarHBondContact O-N 3.31Å; N371-L374 PolarHBondContact O-N 2.78Å
375N76.4Confident73Confident105 Ų10596.1 Ų96.156%0.56151%0.512SS*.Hα-helixtrans-73.9-41.9176.1-1112.7000112.1N371 F372 L378N371-N375 WeakPolarHBondContact O-CB 3.46Å; N371-N375 PolarHBondContact O-N 2.9Å; F372-N375 PolarHBondContact O-N 3.13Å; N375-L378 PolarHBondContact O-N 3.24Å
376Q70.1Confident72.3Confident111 Ų11197.8 Ų97.852%0.51952%0.521SS..Hα-helixtrans-69.2-32.4177.4-77.3-123.2-47.900112.9F372 L378 E379F372-Q376 HydrophobicContact CD1-CG 4.37Å; F372-Q376 HydrophobicContact CE1-CG 3.99Å; F372-Q376 HydrophobicContact CE2-CG 4.38Å; F372-Q376 HydrophobicContact CZ-CG 4Å; F372-Q376 WeakPolarHBondContact O-CB 3.39Å; F372-Q376 WeakPolarHBondContact O-CG 3.42Å; F372-Q376 PolarHBondContact O-N 3.41Å; Q376-L378 PolarHBondContact O-N 3.4Å; Q376-E379 PolarHBondContact O-N 3.48Å
377G60.6Low71.5Confident55 Ų5599.9 Ų99.957%0.56754%0.536SS*.THydrogen-bonded Turntrans-73-8.217700000115L373L373-G377 PolarHBondContact O-N 3.27Å
378L53.4Low70.5Confident142 Ų14298.4 Ų98.474%0.74353%0.527SS*.THydrogen-bonded Turntrans-99.4-6.7177-82.7169.9000113.7N375 Q376N375-L378 PolarHBondContact O-N 3.24Å; Q376-L378 PolarHBondContact O-N 3.4Å
379E52.6Low69.5Low162 Ų16298.2 Ų98.276%0.75753%0.527SS*.SBendtrans-97.2-2.6179.3-63.5-171.296.700113.3Q376Q376-E379 PolarHBondContact O-N 3.48Å
380D48.8Very low68.1Low153 Ų153106.4 Ų106.482%0.81857%0.571SS**  trans-116.358.6178.2-150.4-98.9000110.4
381D40.3Very low66.8Low229 Ų229114.4 Ų114.4100%1.22561%0.609SS**  trans-139.30158-166.9-108.7000110.4

Retrieved 381 of 381 residues in 683.2 ms (Link to these results)

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