A0A060XIR8_ONCMY Loading...

MICOS complex subunit MIC13

Component of the MICOS complex, a large protein complex of the mitochondrial inner membrane that plays crucial roles in the maintenance of crista junctions, inner membrane architecture, and formation of contact sites to the outer membrane.

AlphaFold DB , UniProt , Accession A0A060XIR8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110521421, Length 111 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
1M54.1Low73.6Confident214 Ų214119.4 Ų119.4100%1.05466%0.655SS**  0-40.40-84.7-168.9-85.100113.9A3 K4M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.38Å; M1-K4 PolarHBondContact O-N 3.17Å
2A56.8Low74.7Confident79 Ų79113.3 Ų113.365%0.65363%0.633SS**Hα-helixtrans-57.9-35.2179.800000115.5K4 L5 L6A2-K4 VanDerWaalsContact C-N 3.26Å; A2-K4 PolarHBondContact O-N 2.71Å; A2-L5 PolarHBondContact O-N 3.04Å; A2-L5 VanDerWaalsContact O-N 3.11Å; A2-L6 PolarHBondContact O-N 3.42Å
3A58.8Low75.6Confident88 Ų88109.8 Ų109.873%0.72762%0.617SS**Hα-helixtrans-66.1-22.1-179.400000114.6M1 P7M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.38Å; A3-P7 WeakPolarHBondContact O-CD 3.32Å
4K62.6Low76.6Confident178 Ų178112.9 Ų112.977%0.77462%0.62SS**Hα-helixtrans-87.7-15.4174.7-70-168.5176.7-172.20113.2M1 A2 V8M1-K4 PolarHBondContact O-N 3.17Å; A2-K4 VanDerWaalsContact C-N 3.26Å; A2-K4 PolarHBondContact O-N 2.71Å; K4-V8 WeakPolarHBondContact O-CG2 3.39Å
5L72.7Confident77.5Confident120 Ų120111.5 Ų111.563%0.62862%0.616SS**Hα-helixtrans-82.5-34.7179.3-78.2161.9000112.4A2 V8 L9A2-L5 PolarHBondContact O-N 3.04Å; A2-L5 VanDerWaalsContact O-N 3.11Å; L5-V8 PolarHBondContact O-N 3.12Å; L5-L9 WeakPolarHBondContact O-CB 3.37Å; L5-L9 PolarHBondContact O-N 3Å
6L79.3Confident78.2Confident105 Ų105110.9 Ų110.955%0.5562%0.617SS.*Hα-helixtrans-61.3-43.4-179.8-171.276000113.6A2 K10A2-L6 PolarHBondContact O-N 3.42Å; L6-K10 WeakPolarHBondContact O-CB 3.43Å; L6-K10 WeakPolarHBondContact O-CG 3.39Å; L6-K10 PolarHBondContact O-N 3.3Å
7P80.1Confident78.8Confident77 Ų77111.4 Ų111.450%0.562%0.616SS.*Hα-helixtrans-64.9-39175.4-20.232.9000112.6A3 K10 L11A3-P7 WeakPolarHBondContact O-CD 3.32Å; P7-K10 PolarHBondContact O-N 3Å; P7-L11 WeakPolarHBondContact O-CB 3.42Å; P7-L11 PolarHBondContact O-N 2.87Å
8V84.4Confident79.2Confident94 Ų94108.1 Ų108.157%0.5761%0.606SS**Hα-helixtrans-67.8-43.6179.2175.90000110.8K4 L5 L11 A12K4-V8 WeakPolarHBondContact O-CG2 3.39Å; L5-V8 PolarHBondContact O-N 3.12Å; V8-L11 PolarHBondContact O-N 3.01Å; V8-A12 WeakPolarHBondContact O-CB 3.44Å; V8-A12 PolarHBondContact O-N 2.92Å
9L87.6Confident79.6Confident110 Ų110104.4 Ų104.458%0.57659%0.594SS**Hα-helixtrans-61.8-45.9175.4-176.963.2000111.1L5 L11 A12 T13L5-L9 WeakPolarHBondContact O-CB 3.37Å; L5-L9 PolarHBondContact O-N 3Å; L9-L11 VanDerWaalsContact C-N 3.28Å; L9-L11 PolarHBondContact O-N 3.43Å; L9-A12 PolarHBondContact O-N 3.38Å; L9-T13 PolarHBondContact O-N 2.93Å; L9-T13 PolarHBondContact O-OG1 2.91Å
10K85.3Confident79.9Confident135 Ų135100.9 Ų100.959%0.58758%0.582SS**Hα-helixtrans-57.5-41.5174.8-83.5-175.7168.2-1780112.2L6 P7 K14L6-K10 WeakPolarHBondContact O-CB 3.43Å; L6-K10 WeakPolarHBondContact O-CG 3.39Å; L6-K10 PolarHBondContact O-N 3.3Å; P7-K10 PolarHBondContact O-N 3Å; K10-K14 WeakPolarHBondContact O-CG 3.43Å; K10-K14 PolarHBondContact O-N 3.02Å; K10-K14 VanDerWaalsContact O-N 3.15Å
11L87.8Confident80Confident113 Ų11398.7 Ų98.759%0.59258%0.576SS**Hα-helixtrans-69.1-45.6179-170.2136.6000111.2P7 V8 L9 T13 K14 V15P7-L11 WeakPolarHBondContact O-CB 3.42Å; P7-L11 PolarHBondContact O-N 2.87Å; V8-L11 PolarHBondContact O-N 3.01Å; L9-L11 VanDerWaalsContact C-N 3.28Å; L9-L11 PolarHBondContact O-N 3.43Å; L11-T13 PolarHBondContact O-N 3.33Å; L11-K14 PolarHBondContact O-N 2.93Å; L11-V15 HydrophobicContact CD2-CG2 4.11Å; L11-V15 WeakPolarHBondContact O-CG2 3.4Å; L11-V15 PolarHBondContact O-N 3.3Å
12A87.5Confident81.3Confident47 Ų4793.8 Ų93.839%0.38855%0.554SS.*Hα-helixtrans-57.9-46.6176.200000111.4V8 L9 K14 V15 T16V8-A12 WeakPolarHBondContact O-CB 3.44Å; V8-A12 PolarHBondContact O-N 2.92Å; L9-A12 PolarHBondContact O-N 3.38Å; A12-K14 VanDerWaalsContact C-N 3.34Å; A12-K14 PolarHBondContact O-N 3.34Å; A12-V15 PolarHBondContact O-N 2.95Å; A12-T16 WeakPolarHBondContact O-CB 3.48Å; A12-T16 PolarHBondContact O-N 3.39Å; A12-T16 PolarHBondContact O-OG1 3.19Å
13T85.9Confident82.4Confident68 Ų6897.4 Ų97.442%0.41755%0.551SS.*Hα-helixtrans-59.3-43.8176.6-54.10000112L9 L11 T16 I17L9-T13 PolarHBondContact O-N 2.93Å; L9-T13 PolarHBondContact O-OG1 2.91Å; L11-T13 PolarHBondContact O-N 3.33Å; T13-T16 PolarHBondContact O-N 3.41Å; T13-I17 HydrophobicContact CG2-CD1 3.89Å; T13-I17 VanDerWaalsContact O-CG1 3.27Å; T13-I17 WeakPolarHBondContact O-CG1 3.39Å; T13-I17 PolarHBondContact O-N 3.4Å
14K90Very high83.6Confident153 Ų15397.2 Ų97.267%0.66554%0.541SS*.Hα-helixtrans-63.5-43.7177.6-75179.7175.7-165.40112.2K10 L11 A12 T16 I17 A18K10-K14 WeakPolarHBondContact O-CG 3.43Å; K10-K14 PolarHBondContact O-N 3.02Å; K10-K14 VanDerWaalsContact O-N 3.15Å; L11-K14 PolarHBondContact O-N 2.93Å; A12-K14 VanDerWaalsContact C-N 3.34Å; A12-K14 PolarHBondContact O-N 3.34Å; K14-T16 VanDerWaalsContact C-N 3.35Å; K14-I17 PolarHBondContact O-N 3.39Å; K14-A18 WeakPolarHBondContact O-CB 3.43Å; K14-A18 PolarHBondContact O-N 3.46Å
15V89.1Confident84.5Confident91 Ų9190.7 Ų90.755%0.55252%0.516SS*.Hα-helixtrans-64-42177.8172.70000110.5L11 A12 A18 G19L11-V15 HydrophobicContact CD2-CG2 4.11Å; L11-V15 WeakPolarHBondContact O-CG2 3.4Å; L11-V15 PolarHBondContact O-N 3.3Å; A12-V15 PolarHBondContact O-N 2.95Å; V15-A18 PolarHBondContact O-N 2.97Å; V15-G19 PolarHBondContact O-N 2.99Å
16T88.7Confident84.6Confident103 Ų10393.2 Ų93.263%0.63252%0.519SS*.Hα-helixtrans-63.7-44.1176.5-57.70000111.9A12 T13 K14 G19 G20A12-T16 WeakPolarHBondContact O-CB 3.48Å; A12-T16 PolarHBondContact O-N 3.39Å; A12-T16 PolarHBondContact O-OG1 3.19Å; T13-T16 PolarHBondContact O-N 3.41Å; K14-T16 VanDerWaalsContact C-N 3.35Å; T16-G19 PolarHBondContact O-N 3.05Å; T16-G20 PolarHBondContact O-N 3.41Å
17I89.8Confident84.7Confident118 Ų11893.8 Ų93.861%0.60552%0.522SS*.Hα-helixtrans-63.1-46.2177-68167.3000110.5T13 K14 G20 A21T13-I17 HydrophobicContact CG2-CD1 3.89Å; T13-I17 VanDerWaalsContact O-CG1 3.27Å; T13-I17 WeakPolarHBondContact O-CG1 3.39Å; T13-I17 PolarHBondContact O-N 3.4Å; K14-I17 PolarHBondContact O-N 3.39Å; I17-G20 PolarHBondContact O-N 3.05Å; I17-A21 WeakPolarHBondContact O-CB 3.08Å; I17-A21 PolarHBondContact O-N 3.25Å
18A85.1Confident84.3Confident53 Ų5392.9 Ų92.944%0.43852%0.518SS..Hα-helixtrans-64-43.5178.700000112K14 V15 A21 L22K14-A18 WeakPolarHBondContact O-CB 3.43Å; K14-A18 PolarHBondContact O-N 3.46Å; V15-A18 PolarHBondContact O-N 2.97Å; A18-A21 PolarHBondContact O-N 3.27Å; A18-L22 WeakPolarHBondContact O-CB 3.35Å; A18-L22 WeakPolarHBondContact O-CG 3.5Å; A18-L22 PolarHBondContact O-N 3.29Å
19G86.5Confident83.8Confident37 Ų3788.8 Ų88.838%0.38150%0.495SS..Hα-helixtrans-65.1-41176.700000112.6V15 T16 L22 Y23V15-G19 PolarHBondContact O-N 2.99Å; T16-G19 PolarHBondContact O-N 3.05Å; G19-L22 PolarHBondContact O-N 3.45Å; G19-Y23 WeakPolarHBondContact O-CB 3.38Å; G19-Y23 PolarHBondContact O-N 2.9Å
20G85.3Confident83.1Confident34 Ų3486.6 Ų86.635%0.35148%0.483SS..Hα-helixtrans-64-43.5174.800000112.3T16 I17 L22 Y23 V24T16-G20 PolarHBondContact O-N 3.41Å; I17-G20 PolarHBondContact O-N 3.05Å; G20-L22 VanDerWaalsContact C-N 3.34Å; G20-L22 PolarHBondContact O-N 3.11Å; G20-Y23 PolarHBondContact O-N 3.38Å; G20-V24 WeakPolarHBondContact O-CG2 3.45Å; G20-V24 PolarHBondContact O-N 3.02Å
21A83.1Confident82.7Confident56 Ų5685.3 Ų85.346%0.46348%0.482SS..Hα-helixtrans-62.3-41.2174.700000111.9I17 A18 T25I17-A21 WeakPolarHBondContact O-CB 3.08Å; I17-A21 PolarHBondContact O-N 3.25Å; A18-A21 PolarHBondContact O-N 3.27Å; A21-T25 WeakPolarHBondContact O-CB 3.45Å; A21-T25 VanDerWaalsContact O-CG2 3.28Å; A21-T25 WeakPolarHBondContact O-CG2 3.41Å; A21-T25 PolarHBondContact O-N 2.87Å; A21-T25 PolarHBondContact O-OG1 3.39Å
22L80.3Confident81.9Confident110 Ų11081.6 Ų81.658%0.57647%0.472SS*.Hα-helixtrans-63.2-42.8174-79.3167.4000112.2A18 G19 G20 T25 Y26A18-L22 WeakPolarHBondContact O-CB 3.35Å; A18-L22 WeakPolarHBondContact O-CG 3.5Å; A18-L22 PolarHBondContact O-N 3.29Å; G19-L22 PolarHBondContact O-N 3.45Å; G20-L22 VanDerWaalsContact C-N 3.34Å; G20-L22 PolarHBondContact O-N 3.11Å; L22-T25 WeakPolarHBondContact CA-OG1 3.49Å; L22-T25 PolarHBondContact O-N 3.25Å; L22-T25 PolarHBondContact O-OG1 2.92Å; L22-Y26 WeakPolarHBondContact O-CB 3.48Å; L22-Y26 PolarHBondContact O-N 3.19Å
23Y81.3Confident81.3Confident155 Ų15581.9 Ų81.961%0.60848%0.479SS*.Hα-helixtrans-62.5-48.7177.1179.9-92.1000111.7G19 G20 T25 Y26 D27G19-Y23 WeakPolarHBondContact O-CB 3.38Å; G19-Y23 PolarHBondContact O-N 2.9Å; G20-Y23 PolarHBondContact O-N 3.38Å; Y23-T25 VanDerWaalsContact C-N 3.33Å; Y23-T25 PolarHBondContact O-N 3.3Å; Y23-Y26 WeakPolarHBondContact O-CB 3.43Å; Y23-Y26 PolarHBondContact O-N 3.28Å; Y23-D27 HydrophobicContact CE1-CB 4.38Å; Y23-D27 WeakPolarHBondContact O-CB 3.31Å; Y23-D27 PolarHBondContact O-N 3.29Å
24V83.6Confident80.4Confident84 Ų8484 Ų8451%0.50950%0.497SS..Hα-helixtrans-62.7-40.5180171.50000111.3G20 S28G20-V24 WeakPolarHBondContact O-CG2 3.45Å; G20-V24 PolarHBondContact O-N 3.02Å; V24-S28 WeakPolarHBondContact O-CB 3.2Å; V24-S28 PolarHBondContact O-N 2.85Å; V24-S28 PolarHBondContact O-OG 2.99Å
25T80.5Confident79.5Confident41 Ų4180.4 Ų80.425%0.25250%0.495SS..Hα-helixtrans-70.3-32177.950.10000112.9A21 L22 Y23 L30 L31A21-T25 WeakPolarHBondContact O-CB 3.45Å; A21-T25 VanDerWaalsContact O-CG2 3.28Å; A21-T25 WeakPolarHBondContact O-CG2 3.41Å; A21-T25 PolarHBondContact O-N 2.87Å; A21-T25 PolarHBondContact O-OG1 3.39Å; L22-T25 WeakPolarHBondContact CA-OG1 3.49Å; L22-T25 PolarHBondContact O-N 3.25Å; L22-T25 PolarHBondContact O-OG1 2.92Å; Y23-T25 VanDerWaalsContact C-N 3.33Å; Y23-T25 PolarHBondContact O-N 3.3Å; T25-L30 HydrophobicContact CG2-CD2 3.88Å; T25-L30 VanDerWaalsContact O-CB 3.3Å; T25-L30 WeakPolarHBondContact O-CB 3.21Å; T25-L30 PolarHBondContact O-N 3.45Å; T25-L30 VanDerWaalsContact O-N 3.07Å; T25-L31 PolarHBondContact O-N 3Å
26Y76.3Confident78.7Confident173 Ų17381.6 Ų81.668%0.67850%0.495SS*.Hα-helixtrans-68.1-51.3171.4-175.7-95.2000111.8L22 Y23 S28 G29L22-Y26 WeakPolarHBondContact O-CB 3.48Å; L22-Y26 PolarHBondContact O-N 3.19Å; Y23-Y26 WeakPolarHBondContact O-CB 3.43Å; Y23-Y26 PolarHBondContact O-N 3.28Å; Y26-S28 VanDerWaalsContact C-N 3.33Å; Y26-S28 PolarHBondContact O-N 3.43Å; Y26-G29 PolarHBondContact O-N 2.95Å
27D81.4Confident77.9Confident117 Ų11777.2 Ų77.263%0.62647%0.47SS*.Hα-helixtrans-63.7-37.8-179.4-17258.7000112.3Y23 G29Y23-D27 HydrophobicContact CE1-CB 4.38Å; Y23-D27 WeakPolarHBondContact O-CB 3.31Å; Y23-D27 PolarHBondContact O-N 3.29Å; D27-G29 PolarHBondContact O-N 3.34Å; D27-G29 VanDerWaalsContact O-N 3.08Å
28S70.5Confident77Confident59 Ų5975.3 Ų75.341%0.41347%0.467SS..THydrogen-bonded Turntrans-67.3-7.9174.7-57.90000113V24 Y26 L30 V40V24-S28 WeakPolarHBondContact O-CB 3.2Å; V24-S28 PolarHBondContact O-N 2.85Å; V24-S28 PolarHBondContact O-OG 2.99Å; Y26-S28 VanDerWaalsContact C-N 3.33Å; Y26-S28 PolarHBondContact O-N 3.43Å; S28-L30 PolarHBondContact O-N 3.23Å; S28-V40 VanDerWaalsContact O-CG1 3.31Å; S28-V40 WeakPolarHBondContact O-CG1 3.48Å; S28-V40 WeakPolarHBondContact O-CG2 3.32Å
29G74.4Confident76.5Confident8 Ų878.3 Ų78.38%0.08247%0.472CS..THydrogen-bonded Turntrans71.313.7-176.100000113.7Y26 D27 L31 G32Y26-G29 PolarHBondContact O-N 2.95Å; D27-G29 PolarHBondContact O-N 3.34Å; D27-G29 VanDerWaalsContact O-N 3.08Å; G29-L31 PolarHBondContact O-N 2.87Å; G29-G32 PolarHBondContact O-N 2.96Å
30L72.8Confident76.1Confident63 Ų6378.2 Ų78.233%0.3346%0.464SS..THydrogen-bonded Turntrans-64.7-33.9177.9-16486.1000111.1T25 S28 G32 V40 L41T25-L30 HydrophobicContact CG2-CD2 3.88Å; T25-L30 VanDerWaalsContact O-CB 3.3Å; T25-L30 WeakPolarHBondContact O-CB 3.21Å; T25-L30 PolarHBondContact O-N 3.45Å; T25-L30 VanDerWaalsContact O-N 3.07Å; S28-L30 PolarHBondContact O-N 3.23Å; L30-G32 VanDerWaalsContact C-N 3.27Å; L30-V40 HydrophobicContact CB-CG1 4.38Å; L30-V40 HydrophobicContact CD1-CB 4.41Å; L30-V40 HydrophobicContact CD1-CG1 3.85Å; L30-L41 HydrophobicContact CD1-CB 4.15Å; L30-L41 HydrophobicContact CD1-CD1 4.36Å
31L76.1Confident75.5Confident108 Ų10881.5 Ų81.557%0.56547%0.473SS*.THydrogen-bonded Turntrans-87.27.9174.1-58.1177.9000113T25 G29T25-L31 PolarHBondContact O-N 3Å; G29-L31 PolarHBondContact O-N 2.87Å
32G72.6Confident75.2Confident36 Ų3680.7 Ų80.737%0.37147%0.47SS..SBendtrans-73.3-174.8177.200000113.2G29 L30G29-G32 PolarHBondContact O-N 2.96Å; L30-G32 VanDerWaalsContact C-N 3.27Å
33G74.3Confident75Confident52 Ų5281.6 Ų81.654%0.53647%0.469SS..  trans-58.1159.8176.700000112.8A35 Q36 G37G33-A35 PolarHBondContact O-N 3.29Å; G33-Q36 PolarHBondContact O-N 3.49Å; G33-G37 PolarHBondContact O-N 2.87Å
34S66.8Low74.7Confident114 Ų11476.2 Ų76.280%0.79746%0.457SS*.Hα-helixtrans-53.1-35.3-167.872.10000114.6S38S34-S38 WeakPolarHBondContact O-CB 3.27Å; S34-S38 PolarHBondContact O-N 3.27Å; S34-S38 VanDerWaalsContact O-N 3.11Å
35A71.3Confident74Confident77 Ų7779.6 Ų79.664%0.63646%0.464SS*.Hα-helixtrans-70-49177.200000112.6G33 S38 E39G33-A35 PolarHBondContact O-N 3.29Å; A35-S38 PolarHBondContact O-N 3.34Å; A35-E39 PolarHBondContact O-N 3.46Å
36Q71.6Confident73.7Confident116 Ų11680.7 Ų80.754%0.54248%0.478SS..Hα-helixtrans-69.4-42.8-177.6-170.6177.3-1.600111.6G33 E39 V40G33-Q36 PolarHBondContact O-N 3.49Å; Q36-E39 PolarHBondContact O-N 3.41Å; Q36-V40 VanDerWaalsContact O-CG2 3.25Å; Q36-V40 WeakPolarHBondContact O-CG2 3.38Å; Q36-V40 PolarHBondContact O-N 3.43Å; Q36-V40 VanDerWaalsContact O-N 3.1Å
37G71.7Confident73.3Confident10 Ų1075.2 Ų75.210%0.10347%0.469CS..Hα-helixtrans-64.6-38.7175.400000112.4G33 L41G33-G37 PolarHBondContact O-N 2.87Å; G37-L41 WeakPolarHBondContact O-CB 3.33Å; G37-L41 PolarHBondContact O-N 2.97Å
38S71.2Confident72.5Confident79 Ų7974.5 Ų74.555%0.55246%0.464SS*.Hα-helixtrans-68.4-35.7177.1-1740000112.7S34 A35 G42S34-S38 WeakPolarHBondContact O-CB 3.27Å; S34-S38 PolarHBondContact O-N 3.27Å; S34-S38 VanDerWaalsContact O-N 3.11Å; A35-S38 PolarHBondContact O-N 3.34Å; S38-G42 PolarHBondContact O-N 3.26Å
39E76.1Confident72.1Confident115 Ų11575 Ų7554%0.53747%0.465SS..Hα-helixtrans-68.9-45.3177.3-166-168.6145.600111.4A35 Q36 G42 K43A35-E39 PolarHBondContact O-N 3.46Å; Q36-E39 PolarHBondContact O-N 3.41Å; E39-G42 PolarHBondContact O-N 2.98Å; E39-K43 WeakPolarHBondContact O-CG 3.5Å; E39-K43 PolarHBondContact O-N 3.02Å; E39-K43 IonicContact OE1-NZ 2.67Å; E39-K43 PolarHBondContact OE1-NZ 2.83Å
40V77.8Confident71.6Confident35 Ų3577.7 Ų77.721%0.21248%0.482CS..Hα-helixtrans-65.6-41.8176.9175.20000110.6S28 L30 Q36 G42 K43 A44S28-V40 VanDerWaalsContact O-CG1 3.31Å; S28-V40 WeakPolarHBondContact O-CG1 3.48Å; S28-V40 WeakPolarHBondContact O-CG2 3.32Å; L30-V40 HydrophobicContact CB-CG1 4.38Å; L30-V40 HydrophobicContact CD1-CB 4.41Å; L30-V40 HydrophobicContact CD1-CG1 3.85Å; Q36-V40 VanDerWaalsContact O-CG2 3.25Å; Q36-V40 WeakPolarHBondContact O-CG2 3.38Å; Q36-V40 PolarHBondContact O-N 3.43Å; Q36-V40 VanDerWaalsContact O-N 3.1Å; V40-G42 VanDerWaalsContact C-N 3.3Å; V40-G42 PolarHBondContact O-N 3.34Å; V40-K43 PolarHBondContact O-N 3.1Å; V40-A44 WeakPolarHBondContact O-CB 3.32Å; V40-A44 PolarHBondContact O-N 3.49Å
41L73.1Confident71.3Confident103 Ų10376.8 Ų76.854%0.53948%0.483SS..Hα-helixtrans-62.7-38.1174.2-177.863.5000111.6L30 G37 A44 K45L30-L41 HydrophobicContact CD1-CB 4.15Å; L30-L41 HydrophobicContact CD1-CD1 4.36Å; G37-L41 WeakPolarHBondContact O-CB 3.33Å; G37-L41 PolarHBondContact O-N 2.97Å; L41-A44 PolarHBondContact O-N 3.42Å; L41-K45 WeakPolarHBondContact O-CB 3.42Å; L41-K45 PolarHBondContact O-N 3.4Å
42G75.4Confident70.8Confident39 Ų3974.2 Ų74.240%0.40247%0.472SS..Hα-helixtrans-61.7-45.3173.600000112.3S38 E39 V40 K45 A46S38-G42 PolarHBondContact O-N 3.26Å; E39-G42 PolarHBondContact O-N 2.98Å; V40-G42 VanDerWaalsContact C-N 3.3Å; V40-G42 PolarHBondContact O-N 3.34Å; G42-K45 PolarHBondContact O-N 3.46Å; G42-A46 WeakPolarHBondContact O-CB 3.19Å; G42-A46 PolarHBondContact O-N 2.79Å
43K76.8Confident70.5Confident130 Ų13077.5 Ų77.557%0.56548%0.481SS*.Hα-helixtrans-64.8-43.7175.7-73.2168.8172.4165.40112.2E39 V40 A46 A47E39-K43 WeakPolarHBondContact O-CG 3.5Å; E39-K43 PolarHBondContact O-N 3.02Å; E39-K43 IonicContact OE1-NZ 2.67Å; E39-K43 PolarHBondContact OE1-NZ 2.83Å; V40-K43 PolarHBondContact O-N 3.1Å; K43-A46 PolarHBondContact O-N 3.4Å; K43-A47 PolarHBondContact O-N 3.38Å
44A73.9Confident70.4Confident41 Ų4181.6 Ų81.634%0.33949%0.486SS..Hα-helixtrans-62.2-45.9174.800000111.1V40 L41 A46 A47 I48V40-A44 WeakPolarHBondContact O-CB 3.32Å; V40-A44 PolarHBondContact O-N 3.49Å; L41-A44 PolarHBondContact O-N 3.42Å; A44-A46 VanDerWaalsContact C-N 3.25Å; A44-A46 PolarHBondContact O-N 2.92Å; A44-A47 PolarHBondContact O-N 2.9Å; A44-A47 VanDerWaalsContact O-N 3.13Å; A44-I48 WeakPolarHBondContact O-CD1 3.3Å; A44-I48 WeakPolarHBondContact O-CG1 3.37Å; A44-I48 PolarHBondContact O-N 2.95Å
45K69.3Low70.5Confident155 Ų15584.4 Ų84.467%0.67448%0.479SS*.Hα-helixtrans-62.2-30.6175.1-175178.2178.2-1760112.7L41 G42 P49L41-K45 WeakPolarHBondContact O-CB 3.42Å; L41-K45 PolarHBondContact O-N 3.4Å; G42-K45 PolarHBondContact O-N 3.46Å; K45-P49 WeakPolarHBondContact O-CD 3.34Å; K45-P49 WeakPolarHBondContact O-CG 3.42Å
46A73.8Confident70.6Confident64 Ų6482.5 Ų82.553%0.52946%0.459SS..Hα-helixtrans-76.8-28.7175.400000112.8G42 K43 A44 P50G42-A46 WeakPolarHBondContact O-CB 3.19Å; G42-A46 PolarHBondContact O-N 2.79Å; K43-A46 PolarHBondContact O-N 3.4Å; A44-A46 VanDerWaalsContact C-N 3.25Å; A44-A46 PolarHBondContact O-N 2.92Å; A46-P50 WeakPolarHBondContact O-CD 3.28Å; A46-P50 WeakPolarHBondContact O-CG 3.41Å
47A69.3Low70.5Confident59 Ų5985.7 Ų85.749%0.48847%0.472SS..Hα-helixtrans-85.4-23.6178.100000113.9K43 A44 P50 A51K43-A47 PolarHBondContact O-N 3.38Å; A44-A47 PolarHBondContact O-N 2.9Å; A44-A47 VanDerWaalsContact O-N 3.13Å; A47-P50 WeakPolarHBondContact O-CD 3.39Å; A47-A51 WeakPolarHBondContact O-CB 3.45Å; A47-A51 PolarHBondContact O-N 3.15Å; A47-A51 VanDerWaalsContact O-N 3.15Å
48I64.5Low70.3Confident102 Ų10294.3 Ų94.352%0.52350%0.502SS..Hα-helixtrans-62.6-49.2177.9-72.6161.8000112.5A44 A51 V52A44-I48 WeakPolarHBondContact O-CD1 3.3Å; A44-I48 WeakPolarHBondContact O-CG1 3.37Å; A44-I48 PolarHBondContact O-N 2.95Å; I48-A51 PolarHBondContact O-N 3.08Å; I48-V52 HydrophobicContact CG2-CG2 3.92Å; I48-V52 WeakPolarHBondContact O-CB 3.27Å; I48-V52 WeakPolarHBondContact O-CG2 3.41Å; I48-V52 PolarHBondContact O-N 3Å
49P61.6Low70.4Confident68 Ų6896.7 Ų96.744%0.44250%0.503SS..Hα-helixtrans-59.2-47.8-179.6-14.421.1000113K45 V52 D53K45-P49 WeakPolarHBondContact O-CD 3.34Å; K45-P49 WeakPolarHBondContact O-CG 3.42Å; P49-V52 PolarHBondContact O-N 2.86Å; P49-D53 PolarHBondContact O-N 3.22Å
50P64.6Low69.9Low66 Ų6694.6 Ų94.643%0.42951%0.513SS..Hα-helixtrans-60.7-46.3175.5-22.932000113.5A46 A47 V52 D53 E54A46-P50 WeakPolarHBondContact O-CD 3.28Å; A46-P50 WeakPolarHBondContact O-CG 3.41Å; A47-P50 WeakPolarHBondContact O-CD 3.39Å; P50-V52 VanDerWaalsContact C-N 3.3Å; P50-V52 PolarHBondContact O-N 2.69Å; P50-D53 PolarHBondContact O-N 3.43Å; P50-E54 WeakPolarHBondContact O-CB 3.31Å; P50-E54 VanDerWaalsContact O-CG 3.32Å; P50-E54 WeakPolarHBondContact O-CG 3.44Å; P50-E54 PolarHBondContact O-N 3.41Å
51A65.1Low69.4Low44 Ų4499 Ų9936%0.36453%0.529SS..Hα-helixtrans-67.2-34.1-178.200000112.1A47 I48 W55A47-A51 WeakPolarHBondContact O-CB 3.45Å; A47-A51 PolarHBondContact O-N 3.15Å; A47-A51 VanDerWaalsContact O-N 3.15Å; I48-A51 PolarHBondContact O-N 3.08Å; A51-W55 WeakPolarHBondContact O-CB 3.17Å; A51-W55 VanDerWaalsContact O-CD1 3.23Å; A51-W55 PolarHBondContact O-N 2.88Å
52V65.9Low69Low53 Ų53102.6 Ų102.632%0.32154%0.543SS..Hα-helixtrans-69.9-45.1176.3168.20000110.8I48 P49 P50 E54 W55 V56 L63I48-V52 HydrophobicContact CG2-CG2 3.92Å; I48-V52 WeakPolarHBondContact O-CB 3.27Å; I48-V52 WeakPolarHBondContact O-CG2 3.41Å; I48-V52 PolarHBondContact O-N 3Å; P49-V52 PolarHBondContact O-N 2.86Å; P50-V52 VanDerWaalsContact C-N 3.3Å; P50-V52 PolarHBondContact O-N 2.69Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 2.96Å; V52-W55 PolarHBondContact O-N 2.97Å; V52-V56 HydrophobicContact CG1-CG2 4.22Å; V52-V56 VanDerWaalsContact O-CB 3.25Å; V52-V56 WeakPolarHBondContact O-CB 3.11Å; V52-V56 WeakPolarHBondContact O-CG2 3.12Å; V52-V56 PolarHBondContact O-N 3.47Å; V52-L63 HydrophobicContact CG1-CD1 3.27Å
53D66.9Low68.4Low105 Ų105105.8 Ų105.856%0.56155%0.55SS**Hα-helixtrans-63.2-39.4176.8-73.5-28.8000111.7P49 P50 K57P49-D53 PolarHBondContact O-N 3.22Å; P50-D53 PolarHBondContact O-N 3.43Å; D53-K57 VanDerWaalsContact O-CB 3.23Å; D53-K57 WeakPolarHBondContact O-CB 3.38Å; D53-K57 PolarHBondContact O-N 3Å
54E71.3Confident67.8Low138 Ų138104.1 Ų104.165%0.64555%0.553SS**Hα-helixtrans-64.6-43.4174.3-75176.4-177.600112.3P50 V52 K57 Y58P50-E54 WeakPolarHBondContact O-CB 3.31Å; P50-E54 VanDerWaalsContact O-CG 3.32Å; P50-E54 WeakPolarHBondContact O-CG 3.44Å; P50-E54 PolarHBondContact O-N 3.41Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 2.96Å; E54-K57 PolarHBondContact O-N 2.82Å; E54-Y58 VanDerWaalsContact O-CB 3.28Å; E54-Y58 WeakPolarHBondContact O-CB 3.3Å; E54-Y58 PolarHBondContact O-N 2.93Å
55W70Confident67.3Low173 Ų173106.6 Ų106.666%0.65557%0.573SS**Hα-helixtrans-66.3-44.3175.9-93.762.4000112.4A51 V52 K57 Y58 F59A51-W55 WeakPolarHBondContact O-CB 3.17Å; A51-W55 VanDerWaalsContact O-CD1 3.23Å; A51-W55 PolarHBondContact O-N 2.88Å; V52-W55 PolarHBondContact O-N 2.97Å; W55-K57 VanDerWaalsContact C-N 3.3Å; W55-K57 PolarHBondContact O-N 3.37Å; W55-Y58 PolarHBondContact O-N 3.42Å; W55-F59 HydrophobicContact CD2-CD2 4.23Å; W55-F59 AromaticContact CD2-CE2 3.9Å; W55-F59 HydrophobicContact CD2-CE2 3.9Å; W55-F59 AromaticContact CE3-CD2 3.7Å; W55-F59 HydrophobicContact CE3-CD2 3.7Å; W55-F59 AromaticContact CE3-CE2 3.39Å; W55-F59 HydrophobicContact CE3-CE2 3.39Å; W55-F59 HydrophobicContact CE3-CZ 4.41Å; W55-F59 HydrophobicContact CH2-CE2 4.16Å; W55-F59 HydrophobicContact CZ3-CD2 4.22Å; W55-F59 AromaticContact CZ3-CE2 3.54Å; W55-F59 HydrophobicContact CZ3-CE2 3.54Å; W55-F59 HydrophobicContact CZ3-CZ 4.15Å; W55-F59 WeakPolarHBondContact O-CB 3.39Å; W55-F59 WeakPolarHBondContact O-CD2 3.29Å; W55-F59 PolarHBondContact O-N 2.79Å
56V72.1Confident66.8Low37 Ų37107.5 Ų107.522%0.22458%0.577CS.*Hα-helixtrans-58.4-44.4176.31570000110.6V52 G60 F61 L63V52-V56 HydrophobicContact CG1-CG2 4.22Å; V52-V56 VanDerWaalsContact O-CB 3.25Å; V52-V56 WeakPolarHBondContact O-CB 3.11Å; V52-V56 WeakPolarHBondContact O-CG2 3.12Å; V52-V56 PolarHBondContact O-N 3.47Å; V56-G60 WeakPolarHBondContact O-CA 3.45Å; V56-G60 PolarHBondContact O-N 2.94Å; V56-F61 WeakPolarHBondContact CG1-O 3.25Å; V56-F61 PolarHBondContact O-N 3.47Å; V56-F61 VanDerWaalsContact O-N 3.11Å; V56-L63 HydrophobicContact CG2-CD1 3.77Å; V56-L63 HydrophobicContact CG2-CG 3.65Å
57K70.2Confident66.2Low184 Ų184108.9 Ų108.980%0.858%0.581SS**Hα-helixtrans-67.5-38.6176.4-172.4175.8-180177.50112.5D53 E54 W55D53-K57 VanDerWaalsContact O-CB 3.23Å; D53-K57 WeakPolarHBondContact O-CB 3.38Å; D53-K57 PolarHBondContact O-N 3Å; E54-K57 PolarHBondContact O-N 2.82Å; W55-K57 VanDerWaalsContact C-N 3.3Å; W55-K57 PolarHBondContact O-N 3.37Å
58Y68.6Low66Low191 Ų191116.2 Ų116.275%0.74960%0.602SS**Hα-helixtrans-70.8-39.5179.3-170.8-94.6000112.7E54 W55E54-Y58 VanDerWaalsContact O-CB 3.28Å; E54-Y58 WeakPolarHBondContact O-CB 3.3Å; E54-Y58 PolarHBondContact O-N 2.93Å; W55-Y58 PolarHBondContact O-N 3.42Å
59F72.1Confident66Low128 Ų128115.2 Ų115.256%0.56160%0.596SS**Hα-helixtrans-92.8-1.7-179.5-73.8-77.8000113.9W55 F61W55-F59 HydrophobicContact CD2-CD2 4.23Å; W55-F59 AromaticContact CD2-CE2 3.9Å; W55-F59 HydrophobicContact CD2-CE2 3.9Å; W55-F59 AromaticContact CE3-CD2 3.7Å; W55-F59 HydrophobicContact CE3-CD2 3.7Å; W55-F59 AromaticContact CE3-CE2 3.39Å; W55-F59 HydrophobicContact CE3-CE2 3.39Å; W55-F59 HydrophobicContact CE3-CZ 4.41Å; W55-F59 HydrophobicContact CH2-CE2 4.16Å; W55-F59 HydrophobicContact CZ3-CD2 4.22Å; W55-F59 AromaticContact CZ3-CE2 3.54Å; W55-F59 HydrophobicContact CZ3-CE2 3.54Å; W55-F59 HydrophobicContact CZ3-CZ 4.15Å; W55-F59 WeakPolarHBondContact O-CB 3.39Å; W55-F59 WeakPolarHBondContact O-CD2 3.29Å; W55-F59 PolarHBondContact O-N 2.79Å; F59-F61 PolarHBondContact O-N 2.96Å
60G66.8Low66.8Low72 Ų72116.3 Ų116.374%0.74262%0.619SS**THydrogen-bonded Turntrans62.524.917900000113.9V56V56-G60 WeakPolarHBondContact O-CA 3.45Å; V56-G60 PolarHBondContact O-N 2.94Å
61F65.8Low67.3Low127 Ų127119 Ų11956%0.55762%0.624SS**  trans-107.1105.9-171.1-170.8-94.5000110.4V56 F59 L63V56-F61 WeakPolarHBondContact CG1-O 3.25Å; V56-F61 PolarHBondContact O-N 3.47Å; V56-F61 VanDerWaalsContact O-N 3.11Å; F59-F61 PolarHBondContact O-N 2.96Å; F61-L63 PolarHBondContact O-N 3.4Å
62E65.4Low68Low179 Ų179119 Ų11984%0.83662%0.622SS**PPolyproline II helixtrans-64121.5170.8-70.9-171149.100109.6P64E62-P64 WeakPolarHBondContact O-CD 3.31Å
63L62.8Low68.7Low105 Ų105119.6 Ų119.655%0.5563%0.627SS.*PPolyproline II helixtrans-62.6122174.6-85170000108.9V52 V56 F61 A65V52-L63 HydrophobicContact CG1-CD1 3.27Å; V56-L63 HydrophobicContact CG2-CD1 3.77Å; V56-L63 HydrophobicContact CG2-CG 3.65Å; F61-L63 PolarHBondContact O-N 3.4Å; L63-A65 PolarHBondContact O-N 2.91Å
64P63.8Low69.4Low96 Ų96119 Ų11962%0.62363%0.627SS**PPolyproline II helixtrans-58.1136.9173.823.7-31.5000108.6E62 F66E62-P64 WeakPolarHBondContact O-CD 3.31Å; P64-F66 PolarHBondContact O-N 2.68Å
65A63.4Low70Confident93 Ų93119 Ų11977%0.76963%0.627SS**PPolyproline II helixtrans-49.2133.7176.700000109.4L63L63-A65 PolarHBondContact O-N 2.91Å
66F58.3Low70.7Confident173 Ų173113.1 Ų113.176%0.75962%0.616SS**PPolyproline II helixtrans-48.3119-176.5-151.6-102.7000108.6P64 K68 M69P64-F66 PolarHBondContact O-N 2.68Å; F66-K68 PolarHBondContact O-N 3.28Å; F66-M69 HydrophobicContact CD1-CE 4.38Å; F66-M69 HydrophobicContact CE1-CE 3.49Å; F66-M69 VanDerWaalsContact CE1-CE 3.49Å; F66-M69 HydrophobicContact CZ-CE 4.14Å
67P62.4Low71.2Confident93 Ų93120.3 Ų120.360%0.60464%0.639SS**PPolyproline II helixtrans-59.3134.5-172.722.2-31.6000107.8M69P67-M69 PolarHBondContact O-N 3.49Å
68K64.7Low72.2Confident213 Ų213116 Ų11693%0.92662%0.624SS**  trans-62.391.8171.7-72.5-177.3179.41770107.5F66 G70F66-K68 PolarHBondContact O-N 3.28Å; K68-G70 PolarHBondContact O-N 3.5Å
69M65Low73.2Confident82 Ų82110.4 Ų110.440%0.40461%0.613SS.*  trans-66.2120175.8-71.9-168-79.900107.3F66 P67 F71 P73F66-M69 HydrophobicContact CD1-CE 4.38Å; F66-M69 HydrophobicContact CE1-CE 3.49Å; F66-M69 VanDerWaalsContact CE1-CE 3.49Å; F66-M69 HydrophobicContact CZ-CE 4.14Å; P67-M69 PolarHBondContact O-N 3.49Å; M69-F71 HydrophobicContact CB-CD1 4.45Å; M69-F71 HydrophobicContact CB-CE1 4.35Å; M69-F71 HydrophobicContact CG-CE1 4.48Å; M69-F71 PolarHBondContact O-N 2.95Å; M69-F71 VanDerWaalsContact O-N 3.12Å; M69-F71 HydrophobicContact SD-CE1 4.34Å; M69-F71 HydrophobicContact SD-CE2 4.45Å; M69-F71 HydrophobicContact SD-CZ 3.92Å; M69-P73 HydrophobicContact CE-CG 3.56Å; M69-P73 HydrophobicContact SD-CG 4.18Å
70G76.7Confident74Confident90 Ų90106 Ų10693%0.92860%0.604SS**SBendtrans-72.78177.400000113.9K68K68-G70 PolarHBondContact O-N 3.5Å
71F76.3Confident75.1Confident122 Ų122105.4 Ų105.454%0.53559%0.586SS.*SBendtrans-134.7148.1176.966.4-88.9000109.3M69 P73 A76M69-F71 HydrophobicContact CB-CD1 4.45Å; M69-F71 HydrophobicContact CB-CE1 4.35Å; M69-F71 HydrophobicContact CG-CE1 4.48Å; M69-F71 PolarHBondContact O-N 2.95Å; M69-F71 VanDerWaalsContact O-N 3.12Å; M69-F71 HydrophobicContact SD-CE1 4.34Å; M69-F71 HydrophobicContact SD-CE2 4.45Å; M69-F71 HydrophobicContact SD-CZ 3.92Å; F71-P73 HydrophobicContact CE2-CG 4.42Å; F71-P73 VanDerWaalsContact O-CD 3.27Å; F71-P73 WeakPolarHBondContact O-CD 3.48Å; F71-A76 HydrophobicContact CD2-CB 4.01Å; F71-A76 HydrophobicContact CE2-CB 4.36Å
72S80.2Confident76.2Confident45 Ų45105.9 Ų105.932%0.31559%0.59SS.*  trans-75.2116.9170.6172.90000109V74 E75 A76S72-V74 PolarHBondContact O-N 2.98Å; S72-E75 WeakPolarHBondContact CB-OE2 3.46Å; S72-E75 PolarHBondContact O-N 3.31Å; S72-E75 PolarHBondContact OG-N 2.98Å; S72-A76 PolarHBondContact O-N 3.02Å
73P79.7Confident77.3Confident65 Ų65101 Ų10142%0.42258%0.576SS.*Hα-helixtrans-59.9-31.9178.8-24.735.8000112.6M69 F71 W77M69-P73 HydrophobicContact CE-CG 3.56Å; M69-P73 HydrophobicContact SD-CG 4.18Å; F71-P73 HydrophobicContact CE2-CG 4.42Å; F71-P73 VanDerWaalsContact O-CD 3.27Å; F71-P73 WeakPolarHBondContact O-CD 3.48Å; P73-W77 VanDerWaalsContact O-CB 3.3Å; P73-W77 WeakPolarHBondContact O-CB 3.18Å; P73-W77 PolarHBondContact O-N 3.01Å
74V82.2Confident78.4Confident94 Ų9499.3 Ų99.357%0.5757%0.572SS**Hα-helixtrans-69.2-44.7179.1178.60000110.9S72 W77 N78S72-V74 PolarHBondContact O-N 2.98Å; V74-W77 PolarHBondContact O-N 2.92Å; V74-N78 WeakPolarHBondContact O-CB 3.42Å; V74-N78 VanDerWaalsContact O-CG 3.26Å; V74-N78 PolarHBondContact O-N 3.41Å; V74-N78 PolarHBondContact O-ND2 3.07Å
75E83.1Confident79.6Confident137 Ų13799.9 Ų99.964%0.6457%0.569SS**Hα-helixtrans-66.9-42.4178.4-67.4173.5174.100111.3S72 W77 N78 S79S72-E75 WeakPolarHBondContact CB-OE2 3.46Å; S72-E75 PolarHBondContact O-N 3.31Å; S72-E75 PolarHBondContact OG-N 2.98Å; E75-W77 VanDerWaalsContact C-N 3.32Å; E75-W77 PolarHBondContact O-N 3.33Å; E75-N78 PolarHBondContact O-N 3.48Å; E75-S79 VanDerWaalsContact O-CB 3.31Å; E75-S79 WeakPolarHBondContact O-CB 3.19Å; E75-S79 PolarHBondContact O-N 3Å
76A85.1Confident80.5Confident50 Ų5098.6 Ų98.641%0.41356%0.555SS.*Hα-helixtrans-60.4-43.1175.900000111.6F71 S72 G80F71-A76 HydrophobicContact CD2-CB 4.01Å; F71-A76 HydrophobicContact CE2-CB 4.36Å; S72-A76 PolarHBondContact O-N 3.02Å; A76-G80 PolarHBondContact O-N 3.39Å
77W83.3Confident81.7Confident188 Ų18893.3 Ų93.371%0.71254%0.543SS*.Hα-helixtrans-61.9-50.8175.6-179.9-97.3000112.1P73 V74 E75 S79 G80 V81P73-W77 VanDerWaalsContact O-CB 3.3Å; P73-W77 WeakPolarHBondContact O-CB 3.18Å; P73-W77 PolarHBondContact O-N 3.01Å; V74-W77 PolarHBondContact O-N 2.92Å; E75-W77 VanDerWaalsContact C-N 3.32Å; E75-W77 PolarHBondContact O-N 3.33Å; W77-S79 VanDerWaalsContact C-N 3.34Å; W77-S79 PolarHBondContact O-N 2.97Å; W77-G80 PolarHBondContact O-N 3.44Å; W77-V81 HydrophobicContact CZ2-CG2 4.38Å; W77-V81 WeakPolarHBondContact O-CG2 3.11Å; W77-V81 PolarHBondContact O-N 2.79Å
78N89.8Confident82.6Confident92 Ų9295.4 Ų95.449%0.49255%0.548SS..Hα-helixtrans-61-43.2-179.2-72.3-16.9000111.9V74 E75 G80 V81 Q82V74-N78 WeakPolarHBondContact O-CB 3.42Å; V74-N78 VanDerWaalsContact O-CG 3.26Å; V74-N78 PolarHBondContact O-N 3.41Å; V74-N78 PolarHBondContact O-ND2 3.07Å; E75-N78 PolarHBondContact O-N 3.48Å; N78-G80 PolarHBondContact O-N 3.42Å; N78-V81 PolarHBondContact O-N 3.5Å; N78-Q82 WeakPolarHBondContact O-CB 3.39Å; N78-Q82 PolarHBondContact O-N 3.01Å
79S90.2Very high83.7Confident75 Ų7589.4 Ų89.452%0.52453%0.533SS..Hα-helixtrans-61.1-43.6175.4-179.20000111.9E75 W77 Q82 S83E75-S79 VanDerWaalsContact O-CB 3.31Å; E75-S79 WeakPolarHBondContact O-CB 3.19Å; E75-S79 PolarHBondContact O-N 3Å; W77-S79 VanDerWaalsContact C-N 3.34Å; W77-S79 PolarHBondContact O-N 2.97Å; S79-Q82 PolarHBondContact O-N 2.89Å; S79-S83 VanDerWaalsContact O-CB 3.29Å; S79-S83 WeakPolarHBondContact O-CB 3.22Å; S79-S83 PolarHBondContact O-N 2.67Å
80G88.3Confident84.4Confident35 Ų3588.7 Ų88.736%0.36154%0.536SS..Hα-helixtrans-62.3-44.5177.400000113.2A76 W77 N78 S84A76-G80 PolarHBondContact O-N 3.39Å; W77-G80 PolarHBondContact O-N 3.44Å; N78-G80 PolarHBondContact O-N 3.42Å; G80-S84 WeakPolarHBondContact O-CB 3.34Å; G80-S84 PolarHBondContact O-N 3.07Å; G80-S84 PolarHBondContact O-OG 2.97Å
81V91.4Very high84.5Confident60 Ų6085.6 Ų85.636%0.36450%0.504SS..Hα-helixtrans-62.3-48.6176172.30000110.5W77 N78 S83 S84 I85W77-V81 HydrophobicContact CZ2-CG2 4.38Å; W77-V81 WeakPolarHBondContact O-CG2 3.11Å; W77-V81 PolarHBondContact O-N 2.79Å; N78-V81 PolarHBondContact O-N 3.5Å; V81-S83 PolarHBondContact O-N 3.18Å; V81-S84 PolarHBondContact O-N 3.43Å; V81-I85 HydrophobicContact CG1-CD1 3.83Å; V81-I85 HydrophobicContact CG1-CG1 4.47Å; V81-I85 WeakPolarHBondContact O-CG1 3.27Å; V81-I85 PolarHBondContact O-N 3.11Å
82Q89.1Confident84.6Confident136 Ų13684.1 Ų84.164%0.63651%0.507SS*.Hα-helixtrans-61.2-44.2-179.7-172.2177.15.900111.8N78 S79 S86N78-Q82 WeakPolarHBondContact O-CB 3.39Å; N78-Q82 PolarHBondContact O-N 3.01Å; S79-Q82 PolarHBondContact O-N 2.89Å; Q82-S86 VanDerWaalsContact O-CB 3.27Å; Q82-S86 WeakPolarHBondContact O-CB 3.28Å; Q82-S86 PolarHBondContact O-N 2.82Å; Q82-S86 PolarHBondContact O-OG 2.92Å
83S87.6Confident84.5Confident78 Ų7887.3 Ų87.355%0.54553%0.525SS..Hα-helixtrans-61.2-47.2177-178.30000111.7S79 V81 I85 S86 A87S79-S83 VanDerWaalsContact O-CB 3.29Å; S79-S83 WeakPolarHBondContact O-CB 3.22Å; S79-S83 PolarHBondContact O-N 2.67Å; V81-S83 PolarHBondContact O-N 3.18Å; S83-I85 PolarHBondContact O-N 2.86Å; S83-S86 PolarHBondContact O-N 3.42Å; S83-A87 WeakPolarHBondContact O-CB 3.32Å; S83-A87 PolarHBondContact O-N 3.36Å
84S86.8Confident84.4Confident68 Ų6886.6 Ų86.648%0.47652%0.524SS..Hα-helixtrans-63.1-46.1-179.2-57.40000112.1G80 V81 S86 A87 L88G80-S84 WeakPolarHBondContact O-CB 3.34Å; G80-S84 PolarHBondContact O-N 3.07Å; G80-S84 PolarHBondContact O-OG 2.97Å; V81-S84 PolarHBondContact O-N 3.43Å; S84-S86 VanDerWaalsContact C-N 3.34Å; S84-S86 PolarHBondContact O-N 3.41Å; S84-A87 PolarHBondContact O-N 2.95Å; S84-L88 WeakPolarHBondContact O-CB 3.07Å; S84-L88 VanDerWaalsContact O-CG 3.31Å; S84-L88 WeakPolarHBondContact O-CG 3.42Å; S84-L88 PolarHBondContact O-N 3.25Å
85I88.1Confident84.3Confident108 Ų10887.7 Ų87.755%0.55453%0.526SS*.Hα-helixtrans-66.3-38178-67178.2000110.8V81 S83 L88 S89V81-I85 HydrophobicContact CG1-CD1 3.83Å; V81-I85 HydrophobicContact CG1-CG1 4.47Å; V81-I85 WeakPolarHBondContact O-CG1 3.27Å; V81-I85 PolarHBondContact O-N 3.11Å; S83-I85 PolarHBondContact O-N 2.86Å; I85-L88 PolarHBondContact O-N 3.1Å; I85-S89 WeakPolarHBondContact O-CB 2.86Å; I85-S89 PolarHBondContact O-N 3.38Å
86S83.1Confident84.2Confident67 Ų6782.8 Ų82.847%0.46951%0.512SS..Hα-helixtrans-65.2-42.1177-58.50000112Q82 S83 S84 S89 S90Q82-S86 VanDerWaalsContact O-CB 3.27Å; Q82-S86 WeakPolarHBondContact O-CB 3.28Å; Q82-S86 PolarHBondContact O-N 2.82Å; Q82-S86 PolarHBondContact O-OG 2.92Å; S83-S86 PolarHBondContact O-N 3.42Å; S84-S86 VanDerWaalsContact C-N 3.34Å; S84-S86 PolarHBondContact O-N 3.41Å; S86-S89 PolarHBondContact O-N 2.91Å; S86-S90 PolarHBondContact O-N 3.13Å; S86-S90 VanDerWaalsContact O-N 3.1Å; S86-S90 PolarHBondContact O-OG 3.03Å
87A82.3Confident84.2Confident61 Ų6182 Ų8250%0.50451%0.509SS..Hα-helixtrans-62.7-45.8174.400000111.6S83 S84 S89 S90 G91S83-A87 WeakPolarHBondContact O-CB 3.32Å; S83-A87 PolarHBondContact O-N 3.36Å; S84-A87 PolarHBondContact O-N 2.95Å; A87-S89 VanDerWaalsContact C-N 3.34Å; A87-S89 PolarHBondContact O-N 3.45Å; A87-S90 PolarHBondContact O-N 3.45Å; A87-S90 PolarHBondContact O-OG 3.4Å; A87-G91 PolarHBondContact O-N 2.99Å
88L82.9Confident84.1Confident138 Ų13881.1 Ų81.172%0.72351%0.507SS*.Hα-helixtrans-66.4-35.7177.8-70.9170000112.5S84 I85 S90 G91 P92S84-L88 WeakPolarHBondContact O-CB 3.07Å; S84-L88 VanDerWaalsContact O-CG 3.31Å; S84-L88 WeakPolarHBondContact O-CG 3.42Å; S84-L88 PolarHBondContact O-N 3.25Å; I85-L88 PolarHBondContact O-N 3.1Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-S90 PolarHBondContact O-N 2.96Å; L88-G91 PolarHBondContact O-N 3.23Å; L88-P92 WeakPolarHBondContact O-CD 3.42Å
89S86.2Confident83.8Confident87 Ų8780.8 Ų80.861%0.60851%0.508SS*.Hα-helixtrans-67.8-31.5177.1173.40000113.1I85 S86 A87I85-S89 WeakPolarHBondContact O-CB 2.86Å; I85-S89 PolarHBondContact O-N 3.38Å; S86-S89 PolarHBondContact O-N 2.91Å; A87-S89 VanDerWaalsContact C-N 3.34Å; A87-S89 PolarHBondContact O-N 3.45Å
90S81.2Confident83.6Confident66 Ų6682.2 Ų82.246%0.46251%0.51SS..Hα-helixtrans-85.6-15.3-179.9540000113.2S86 A87 L88 T93 A94S86-S90 PolarHBondContact O-N 3.13Å; S86-S90 VanDerWaalsContact O-N 3.1Å; S86-S90 PolarHBondContact O-OG 3.03Å; A87-S90 PolarHBondContact O-N 3.45Å; A87-S90 PolarHBondContact O-OG 3.4Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-S90 PolarHBondContact O-N 2.96Å; S90-T93 PolarHBondContact O-N 3.21Å; S90-A94 PolarHBondContact O-N 2.95Å
91G78.9Confident83.7Confident25 Ų2586.4 Ų86.426%0.25852%0.52SS..Hα-helixtrans-53-50.7179.300000114.8A87 L88 T93 A94 L95A87-G91 PolarHBondContact O-N 2.99Å; L88-G91 PolarHBondContact O-N 3.23Å; G91-T93 VanDerWaalsContact C-N 3.34Å; G91-T93 PolarHBondContact O-N 2.92Å; G91-A94 PolarHBondContact O-N 3.32Å; G91-L95 WeakPolarHBondContact O-CB 3.38Å; G91-L95 WeakPolarHBondContact O-CG 3.32Å; G91-L95 PolarHBondContact O-N 3.47Å
92P77.6Confident83.4Confident91 Ų9185.2 Ų85.259%0.59152%0.52SS*.Hα-helixtrans-59.9-40.8179.7-25.734.8000113.3L88 G96L88-P92 WeakPolarHBondContact O-CD 3.42Å; P92-G96 PolarHBondContact O-N 2.89Å
93T78.4Confident83.4Confident113 Ų11383.6 Ų83.669%0.69352%0.516SS*.Hα-helixtrans-67.6-42.6178.2-51.60000111.3S90 G91 G96 G97S90-T93 PolarHBondContact O-N 3.21Å; G91-T93 VanDerWaalsContact C-N 3.34Å; G91-T93 PolarHBondContact O-N 2.92Å; T93-G96 PolarHBondContact O-N 3.37Å; T93-G97 PolarHBondContact O-N 3.42Å
94A77.8Confident83.5Confident49 Ų4986.1 Ų86.141%0.40552%0.519SS..Hα-helixtrans-63.2-45.1176.100000111.8S90 G91 G96 G97 Y98S90-A94 PolarHBondContact O-N 2.95Å; G91-A94 PolarHBondContact O-N 3.32Å; A94-G96 VanDerWaalsContact C-N 3.35Å; A94-G96 PolarHBondContact O-N 3.15Å; A94-G97 PolarHBondContact O-N 3.23Å; A94-Y98 WeakPolarHBondContact O-CD2 3.44Å; A94-Y98 PolarHBondContact O-N 2.98Å
95L78.6Confident83.7Confident117 Ų11790 Ų9061%0.61352%0.524SS*.Hα-helixtrans-61.7-39.8176.1-77.2168000112.7G91 G97 Y98 T99G91-L95 WeakPolarHBondContact O-CB 3.38Å; G91-L95 WeakPolarHBondContact O-CG 3.32Å; G91-L95 PolarHBondContact O-N 3.47Å; L95-G97 VanDerWaalsContact C-N 3.35Å; L95-Y98 PolarHBondContact O-N 3.41Å; L95-T99 WeakPolarHBondContact O-CB 3.23Å; L95-T99 PolarHBondContact O-N 2.81Å; L95-T99 PolarHBondContact O-OG1 2.97Å
96G81.8Confident83.8Confident35 Ų3589.8 Ų89.836%0.36152%0.523SS..Hα-helixtrans-62.4-40.6173.600000112.6P92 T93 A94 T99 N100P92-G96 PolarHBondContact O-N 2.89Å; T93-G96 PolarHBondContact O-N 3.37Å; A94-G96 VanDerWaalsContact C-N 3.35Å; A94-G96 PolarHBondContact O-N 3.15Å; G96-T99 PolarHBondContact O-N 3.23Å; G96-N100 PolarHBondContact O-N 3.46Å
97G84.6Confident84Confident34 Ų3494.3 Ų94.335%0.35153%0.534SS..Hα-helixtrans-60.1-49.817400000112.9T93 A94 L95 T99 N100 Q101T93-G97 PolarHBondContact O-N 3.42Å; A94-G97 PolarHBondContact O-N 3.23Å; L95-G97 VanDerWaalsContact C-N 3.35Å; G97-T99 VanDerWaalsContact C-N 3.32Å; G97-T99 PolarHBondContact O-N 3.39Å; G97-N100 PolarHBondContact O-N 3.37Å; G97-Q101 PolarHBondContact O-N 2.98Å
98Y81.9Confident84.4Confident168 Ų16896.6 Ų96.666%0.65954%0.538SS*.Hα-helixtrans-63.1-37.1177.6-72.7-62000112.8A94 L95 Q101 G102A94-Y98 WeakPolarHBondContact O-CD2 3.44Å; A94-Y98 PolarHBondContact O-N 2.98Å; L95-Y98 PolarHBondContact O-N 3.41Å; Y98-Q101 PolarHBondContact O-N 3.21Å; Y98-G102 PolarHBondContact O-N 2.9Å
99T83.6Confident84.7Confident85 Ų8595.3 Ų95.352%0.52153%0.532SS..Hα-helixtrans-66.8-43.1177.9-60.80000111.3L95 G96 G97 G102 L103L95-T99 WeakPolarHBondContact O-CB 3.23Å; L95-T99 PolarHBondContact O-N 2.81Å; L95-T99 PolarHBondContact O-OG1 2.97Å; G96-T99 PolarHBondContact O-N 3.23Å; G97-T99 VanDerWaalsContact C-N 3.32Å; G97-T99 PolarHBondContact O-N 3.39Å; T99-G102 PolarHBondContact O-N 3.41Å; T99-L103 HydrophobicContact CG2-CD1 4.33Å; T99-L103 WeakPolarHBondContact O-CG 3.12Å; T99-L103 PolarHBondContact O-N 3.04Å
100N86.3Confident84.6Confident105 Ų10597.1 Ų97.156%0.56154%0.539SS*.Hα-helixtrans-63.7-40.1175.2-84.8-21.1000112.3G96 G97 L103 Q104G96-N100 PolarHBondContact O-N 3.46Å; G97-N100 PolarHBondContact O-N 3.37Å; N100-L103 PolarHBondContact O-N 3.48Å; N100-Q104 WeakPolarHBondContact O-CG 3.34Å; N100-Q104 PolarHBondContact O-N 2.95Å
101Q89.1Confident83.5Confident123 Ų123105.2 Ų105.258%0.57557%0.566SS**Hα-helixtrans-63.3-42.1174-77179-37.900112.1G97 Y98 Q104 Y105G97-Q101 PolarHBondContact O-N 2.98Å; Y98-Q101 PolarHBondContact O-N 3.21Å; Q101-Q104 PolarHBondContact O-N 2.81Å; Q101-Y105 WeakPolarHBondContact O-CB 3.43Å; Q101-Y105 PolarHBondContact O-N 2.85Å
102G86.6Confident83.7Confident35 Ų35109.2 Ų109.236%0.36158%0.581SS.*Hα-helixtrans-62.7-41.9175.300000112.7Y98 T99 Y105 L106Y98-G102 PolarHBondContact O-N 2.9Å; T99-G102 PolarHBondContact O-N 3.41Å; G102-Y105 PolarHBondContact O-N 3.43Å; G102-L106 WeakPolarHBondContact O-CG 3.25Å; G102-L106 PolarHBondContact O-N 3.28Å
103L88.6Confident84.1Confident103 Ų103110.2 Ų110.254%0.53958%0.581SS.*Hα-helixtrans-64.6-40.5175.3-75.6171.8000112.3T99 N100 K107T99-L103 HydrophobicContact CG2-CD1 4.33Å; T99-L103 WeakPolarHBondContact O-CG 3.12Å; T99-L103 PolarHBondContact O-N 3.04Å; N100-L103 PolarHBondContact O-N 3.48Å; L103-K107 WeakPolarHBondContact O-CB 3.19Å; L103-K107 PolarHBondContact O-N 3.27Å
104Q89.9Confident84.4Confident130 Ų130110 Ų11061%0.60758%0.575SS**Hα-helixtrans-64.2-44.8174.2-76.9-166.4-2.500111.8N100 Q101 L106 K107 D108N100-Q104 WeakPolarHBondContact O-CG 3.34Å; N100-Q104 PolarHBondContact O-N 2.95Å; Q101-Q104 PolarHBondContact O-N 2.81Å; Q104-L106 PolarHBondContact O-N 2.73Å; Q104-K107 WeakPolarHBondContact O-CB 3.41Å; Q104-K107 PolarHBondContact O-N 3.11Å; Q104-K107 VanDerWaalsContact O-N 3.12Å; Q104-D108 PolarHBondContact O-N 3.24Å
105Y89.9Confident84.8Confident150 Ų150113.6 Ų113.659%0.58859%0.585SS**Hα-helixtrans-58.6-46.4177.3177.1-105000112.6Q101 G102 K107 D108 L109Q101-Y105 WeakPolarHBondContact O-CB 3.43Å; Q101-Y105 PolarHBondContact O-N 2.85Å; G102-Y105 PolarHBondContact O-N 3.43Å; Y105-K107 VanDerWaalsContact C-N 3.29Å; Y105-K107 PolarHBondContact O-N 2.92Å; Y105-D108 PolarHBondContact O-N 3.34Å; Y105-L109 HydrophobicContact CD1-CD1 4.1Å; Y105-L109 HydrophobicContact CD2-CD1 4.03Å; Y105-L109 HydrophobicContact CE1-CD1 3.53Å; Y105-L109 HydrophobicContact CE2-CD1 3.45Å; Y105-L109 VanDerWaalsContact CE2-CD1 3.45Å; Y105-L109 HydrophobicContact CG-CD1 4.34Å; Y105-L109 PolarHBondContact O-N 3.28Å; Y105-L109 WeakPolarHBondContact OH-CD1 3.39Å
106L90.3Very high85.1Confident104 Ų104113.4 Ų113.455%0.54558%0.583SS.*Hα-helixtrans-62-39.2175.7-71.2174.5000111.9G102 Q104 D108 L109 T110G102-L106 WeakPolarHBondContact O-CG 3.25Å; G102-L106 PolarHBondContact O-N 3.28Å; Q104-L106 PolarHBondContact O-N 2.73Å; L106-D108 VanDerWaalsContact C-N 3.35Å; L106-L109 PolarHBondContact O-N 3.25Å; L106-T110 PolarHBondContact O-N 3.12Å; L106-T110 VanDerWaalsContact O-N 3.17Å; L106-T110 PolarHBondContact O-OG1 3.27Å
107K87.7Confident85.4Confident161 Ų161118.6 Ų118.670%0.760%0.598SS**Hα-helixtrans-65.1-38.8178.1-165.9177.4-175.2177.70112L103 Q104 Y105L103-K107 WeakPolarHBondContact O-CB 3.19Å; L103-K107 PolarHBondContact O-N 3.27Å; Q104-K107 WeakPolarHBondContact O-CB 3.41Å; Q104-K107 PolarHBondContact O-N 3.11Å; Q104-K107 VanDerWaalsContact O-N 3.12Å; Y105-K107 VanDerWaalsContact C-N 3.29Å; Y105-K107 PolarHBondContact O-N 2.92Å
108D90.8Very high85.4Confident110 Ų110124.6 Ų124.659%0.58862%0.615SS**Hα-helixtrans-73.2-31.5177.3-70.8-21.2000112.5Q104 Y105 L106 T110Q104-D108 PolarHBondContact O-N 3.24Å; Y105-D108 PolarHBondContact O-N 3.34Å; L106-D108 VanDerWaalsContact C-N 3.35Å; D108-T110 VanDerWaalsContact C-N 3.35Å
109L88.3Confident85.7Confident110 Ų110121.3 Ų121.358%0.57661%0.612SS**Hα-helixtrans-72.6-25.5175-115.6104.8000114.3Y105 L106Y105-L109 HydrophobicContact CD1-CD1 4.1Å; Y105-L109 HydrophobicContact CD2-CD1 4.03Å; Y105-L109 HydrophobicContact CE1-CD1 3.53Å; Y105-L109 HydrophobicContact CE2-CD1 3.45Å; Y105-L109 VanDerWaalsContact CE2-CD1 3.45Å; Y105-L109 HydrophobicContact CG-CD1 4.34Å; Y105-L109 PolarHBondContact O-N 3.28Å; Y105-L109 WeakPolarHBondContact OH-CD1 3.39Å; L106-L109 PolarHBondContact O-N 3.25Å
110T84.3Confident85.9Confident126 Ų126124.3 Ų124.377%0.77362%0.62SS**THydrogen-bonded Turntrans-895.2-177-44.30000111.8L106 D108L106-T110 PolarHBondContact O-N 3.12Å; L106-T110 VanDerWaalsContact O-N 3.17Å; L106-T110 PolarHBondContact O-OG1 3.27Å; D108-T110 VanDerWaalsContact C-N 3.35Å
111K58.6Low85.8Confident235 Ų235126.1 Ų126.1100%1.02263%0.625SS**  trans-105.30-176.7-151.3-177.3-172.1-175.30110.6

Retrieved 111 of 111 residues in 21.7 ms (Link to these results)