A0A3P9NSD0_POERE Loading...

MOB kinase activator 3A

AlphaFold DB , UniProt , Accession A0A3P9NSD0, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 216 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M40.8Very low38.8Very low208 Ų208112.7 Ų112.7100%1.02557%0.566SS**  0124.10-82.8-175.5-132.200108.8L5M1-L5 HydrophobicContact CB-CD1 4.41Å; M1-L5 HydrophobicContact CG-CD1 4.31Å
2S34.8Very low39.1Very low67 Ų67115.3 Ų115.347%0.46958%0.583SS.*  trans-62.8148.8-178.858.30000111.6A4 L5S2-A4 PolarHBondContact O-N 2.85Å; S2-A4 VanDerWaalsContact O-N 3.11Å; S2-L5 PolarHBondContact O-N 2.94Å; S2-L5 VanDerWaalsContact O-N 3.1Å
3M31.1Very low39.2Very low169 Ų169124.2 Ų124.283%0.83361%0.605SS**Hα-helixtrans-56.6-25.6178.5-73.4-169.1-178.400113.1L5 K6 Q7M3-L5 PolarHBondContact O-N 3.05Å; M3-K6 PolarHBondContact O-N 3.45Å; M3-Q7 PolarHBondContact O-N 3.11Å
4A37.4Very low39.6Very low52 Ų52124.8 Ų124.843%0.4362%0.62SS.*Hα-helixtrans-60.7-40.1175.900000112.8S2 K6 Q7 V8S2-A4 PolarHBondContact O-N 2.85Å; S2-A4 VanDerWaalsContact O-N 3.11Å; A4-K6 VanDerWaalsContact C-N 3.34Å; A4-K6 PolarHBondContact O-N 3.04Å; A4-Q7 PolarHBondContact O-N 3.03Å; A4-V8 WeakPolarHBondContact O-CG2 3.36Å; A4-V8 PolarHBondContact O-N 3.17Å
5L40.2Very low39.9Very low38 Ų38121.4 Ų121.420%0.19960%0.6CS.*Hα-helixtrans-65.4-38.5176.6-70.4166.7000111.2M1 S2 M3 Q7 V8 F9M1-L5 HydrophobicContact CB-CD1 4.41Å; M1-L5 HydrophobicContact CG-CD1 4.31Å; S2-L5 PolarHBondContact O-N 2.94Å; S2-L5 VanDerWaalsContact O-N 3.1Å; M3-L5 PolarHBondContact O-N 3.05Å; L5-Q7 VanDerWaalsContact C-N 3.27Å; L5-Q7 PolarHBondContact O-N 2.93Å; L5-V8 PolarHBondContact O-N 3.29Å; L5-F9 HydrophobicContact CB-CD2 4.34Å; L5-F9 HydrophobicContact CB-CE2 4.18Å; L5-F9 HydrophobicContact CD2-CE2 4.06Å; L5-F9 WeakPolarHBondContact O-CD2 3.46Å; L5-F9 PolarHBondContact O-N 3.3Å
6K37.6Very low40.1Very low161 Ų161127.3 Ų127.370%0.761%0.614SS**Hα-helixtrans-64.5-30.5177-74.3-175.4176.2-178.40113M3 A4 N10M3-K6 PolarHBondContact O-N 3.45Å; A4-K6 VanDerWaalsContact C-N 3.34Å; A4-K6 PolarHBondContact O-N 3.04Å; K6-N10 PolarHBondContact O-N 2.94Å
7Q39Very low40.4Very low157 Ų157122.6 Ų122.673%0.73460%0.596SS**Hα-helixtrans-74.4-37.1177.1-115.7174.3-3.400112.3M3 A4 L5 N10M3-Q7 PolarHBondContact O-N 3.11Å; A4-Q7 PolarHBondContact O-N 3.03Å; L5-Q7 VanDerWaalsContact C-N 3.27Å; L5-Q7 PolarHBondContact O-N 2.93Å; Q7-N10 WeakPolarHBondContact O-CB 3.42Å; Q7-N10 PolarHBondContact O-N 3.46Å
8V44.3Very low40.9Very low40 Ų40124.2 Ų124.224%0.24260%0.599CS.*Hα-helixtrans-70-33.2175.41770000111.6A4 L5 N10 T77 M176A4-V8 WeakPolarHBondContact O-CG2 3.36Å; A4-V8 PolarHBondContact O-N 3.17Å; L5-V8 PolarHBondContact O-N 3.29Å; V8-N10 VanDerWaalsContact C-N 3.34Å; V8-T77 HydrophobicContact CG1-CG2 3.74Å; V8-M176 HydrophobicContact CG2-CE 3.73Å
9F42.6Very low41.7Very low107 Ų107120.2 Ų120.247%0.46958%0.577SS.*THydrogen-bonded Turntrans-92.316.9175.1-58.8-59.3000113.9L5 K11 L73L5-F9 HydrophobicContact CB-CD2 4.34Å; L5-F9 HydrophobicContact CB-CE2 4.18Å; L5-F9 HydrophobicContact CD2-CE2 4.06Å; L5-F9 WeakPolarHBondContact O-CD2 3.46Å; L5-F9 PolarHBondContact O-N 3.3Å; F9-K11 PolarHBondContact O-N 2.81Å; F9-L73 HydrophobicContact CD1-CD1 4.14Å; F9-L73 HydrophobicContact CE1-CD1 3.93Å; F9-L73 HydrophobicContact CE1-CD2 3.93Å; F9-L73 HydrophobicContact CE1-CG 4.16Å
10N35.8Very low42.6Very low81 Ų81122.2 Ų122.243%0.43358%0.583SS.*  trans-69.7106.8178.6-163.2-15.5000110.3K6 Q7 V8 D12K6-N10 PolarHBondContact O-N 2.94Å; Q7-N10 WeakPolarHBondContact O-CB 3.42Å; Q7-N10 PolarHBondContact O-N 3.46Å; V8-N10 VanDerWaalsContact C-N 3.34Å; N10-D12 PolarHBondContact O-N 3.3Å
11K43.2Very low43.9Very low160 Ų160118 Ų11870%0.69656%0.562SS**THydrogen-bonded Turntrans-59-16.4-175.2-78.9178.1174.5173.90114.3F9F9-K11 PolarHBondContact O-N 2.81Å
12D42.2Very low45.5Very low144 Ų144114.2 Ų114.277%0.7754%0.542SS*.THydrogen-bonded Turntrans-93.9-2.4-168-64.9-32.5000115.1N10N10-D12 PolarHBondContact O-N 3.3Å
13R40.5Very low47.5Very low231 Ų231116.1 Ų116.187%0.87255%0.553SS**THydrogen-bonded Turntrans-134.5-17.5178.3-72.4-165.8171.8-171.7-2.6119.5
14T44.6Very low49.6Very low132 Ų132111.6 Ų111.681%0.8155%0.549SS*.SBendtrans-149.2-0.5-177.147.10000116.7
15F44.2Very low51.7Low74 Ų74110.4 Ų110.433%0.32554%0.537SS..  trans-129.8105.1-178.3-174.7-106000112.5P17 L73F15-P17 HydrophobicContact CD1-CG 4.47Å; F15-P17 HydrophobicContact CE1-CG 3.69Å; F15-P17 HydrophobicContact CZ-CB 4.35Å; F15-P17 HydrophobicContact CZ-CG 3.78Å; F15-L73 HydrophobicContact CD2-CD1 4.37Å; F15-L73 HydrophobicContact CE2-CD1 4.5Å
16R42.6Very low53.7Low216 Ų216112.3 Ų112.382%0.81555%0.545SS*.  trans-123.8110.6159-69.2-173.2-178.5-1741.2107.6K18R16-K18 VanDerWaalsContact C-N 3.34Å; R16-K18 HydrophobicContact CB-CG 4.42Å; R16-K18 PolarHBondContact O-N 3.22Å
17P46.4Very low55.8Low47 Ų47106 Ų10631%0.30552%0.517SS..  trans-61.9102.5164.18.9-3.2000106.7F15F15-P17 HydrophobicContact CD1-CG 4.47Å; F15-P17 HydrophobicContact CE1-CG 3.69Å; F15-P17 HydrophobicContact CZ-CB 4.35Å; F15-P17 HydrophobicContact CZ-CG 3.78Å
18K48.5Very low57.8Low151 Ų151101.3 Ų101.366%0.65749%0.494SS*.  trans-78.2-29.5-173-73.4-174.9-166.1159.40112.4R16 E126R16-K18 VanDerWaalsContact C-N 3.34Å; R16-K18 HydrophobicContact CB-CG 4.42Å; R16-K18 PolarHBondContact O-N 3.22Å; K18-E126 WeakPolarHBondContact CD-OE1 3.35Å; K18-E126 IonicContact NZ-OE1 3.05Å; K18-E126 PolarHBondContact NZ-OE1 3.4Å
19R56.1Low59.7Low48 Ų48103.1 Ų103.118%0.18150%0.5CS..  trans-105.8105.2168.8-109.3-176.3-179.7-157-1.6109.6I129 N130 F135R19-I129 WeakPolarHBondContact CD-O 3.46Å; R19-I129 PolarHBondContact NE-O 3.34Å; R19-I129 PolarHBondContact NH1-O 2.75Å; R19-N130 WeakPolarHBondContact CD-OD1 3.41Å; R19-N130 WeakPolarHBondContact CG-OD1 3.37Å; R19-F135 VanDerWaalsContact NH1-CB 3.29Å; R19-F135 PolarHBondContact NH1-O 3.42Å; R19-F135 PolarHBondContact NH2-O 3.36Å
20K60.2Low61.6Low161 Ų16198 Ų9870%0.748%0.478SS*.PPolyproline II helixtrans-95.3137.2160-66.4-179-179.5178.60106.3E22K20-E22 PolarHBondContact O-N 3.23Å
21F69Low63.9Low33 Ų3395.7 Ų95.715%0.14546%0.464CS..PPolyproline II helixtrans-59.1130.3167.9-58.3-74.6000107.9R27 F28 H31 V62 V65F21-R27 HydrophobicContact CD1-CB 3.71Å; F21-R27 HydrophobicContact CE1-CB 4.19Å; F21-F28 HydrophobicContact CB-CB 3.79Å; F21-F28 HydrophobicContact CB-CD2 4.01Å; F21-F28 HydrophobicContact CB-CG 4.42Å; F21-F28 VanDerWaalsContact O-CD2 3.27Å; F21-F28 WeakPolarHBondContact O-CD2 3.3Å; F21-H31 HydrophobicContact CD2-CB 3.46Å; F21-H31 VanDerWaalsContact CD2-CB 3.46Å; F21-H31 AromaticContact CD2-CD2 3.62Å; F21-H31 AromaticContact CD2-CG 3.38Å; F21-H31 AromaticContact CD2-ND1 3.87Å; F21-H31 HydrophobicContact CE2-CB 3.68Å; F21-H31 AromaticContact CE2-CD2 4Å; F21-H31 AromaticContact CE2-CE1 3.94Å; F21-H31 AromaticContact CE2-CG 3.45Å; F21-H31 VanDerWaalsContact CE2-CG 3.45Å; F21-H31 AromaticContact CE2-ND1 3.45Å; F21-H31 WeakPolarHBondContact CE2-ND1 3.37Å; F21-H31 HydrophobicContact CG-CB 4.19Å; F21-V62 HydrophobicContact CD1-CG2 4.47Å; F21-V62 HydrophobicContact CE1-CB 4.36Å; F21-V62 HydrophobicContact CE1-CG2 3.84Å; F21-V62 HydrophobicContact CE2-CG1 4.22Å; F21-V62 HydrophobicContact CZ-CB 4.07Å; F21-V62 HydrophobicContact CZ-CG1 3.97Å; F21-V62 HydrophobicContact CZ-CG2 4.03Å; F21-V65 HydrophobicContact CE2-CG1 4.46Å; F21-V65 HydrophobicContact CZ-CB 3.92Å; F21-V65 HydrophobicContact CZ-CG1 4Å
22E75.6Confident65.8Low129 Ų12993.6 Ų93.660%0.60346%0.455SS*.PPolyproline II helixtrans-69.3127.5-176.9-67.7-175.917000109.8K20 G24 T25 F28K20-E22 PolarHBondContact O-N 3.23Å; E22-G24 PolarHBondContact O-N 2.98Å; E22-T25 HydrophobicContact CB-CG2 3.82Å; E22-T25 WeakPolarHBondContact O-CB 3.32Å; E22-T25 WeakPolarHBondContact O-CG2 3.5Å; E22-T25 PolarHBondContact O-N 3.45Å; E22-T25 VanDerWaalsContact O-N 3.17Å; E22-T25 PolarHBondContact O-OG1 3.49Å; E22-F28 WeakPolarHBondContact O-CB 3.25Å
23P76.2Confident67.6Low108 Ų10891.1 Ų91.170%0.70144%0.437SS*.THydrogen-bonded Turntrans-53.8136.7177.4-26.635.1000111.9F28P23-F28 HydrophobicContact CB-CE1 4.38Å; P23-F28 HydrophobicContact CB-CZ 4.34Å; P23-F28 HydrophobicContact CG-CE2 4.24Å; P23-F28 HydrophobicContact CG-CZ 4.43Å
24G74.6Confident69.4Low73 Ų7380.5 Ų80.575%0.75340%0.398SS*.THydrogen-bonded Turntrans870.3-177.600000115.2E22E22-G24 PolarHBondContact O-N 2.98Å
25T81.9Confident71Confident27 Ų2778.1 Ų78.117%0.16638%0.378CS..SBendtrans-90.5154.6171.864.60000112.2E22 R27 F28 E29E22-T25 HydrophobicContact CB-CG2 3.82Å; E22-T25 WeakPolarHBondContact O-CB 3.32Å; E22-T25 WeakPolarHBondContact O-CG2 3.5Å; E22-T25 PolarHBondContact O-N 3.45Å; E22-T25 VanDerWaalsContact O-N 3.17Å; E22-T25 PolarHBondContact O-OG1 3.49Å; T25-R27 VanDerWaalsContact C-N 3.26Å; T25-R27 PolarHBondContact O-N 2.78Å; T25-F28 WeakPolarHBondContact O-CB 3.44Å; T25-F28 PolarHBondContact O-N 2.93Å; T25-F28 VanDerWaalsContact O-N 3.1Å; T25-F28 WeakPolarHBondContact OG1-CB 3.45Å; T25-F28 PolarHBondContact OG1-N 3.38Å; T25-E29 PolarHBondContact O-N 3.49Å; T25-E29 VanDerWaalsContact O-N 3.12Å
26Q82.4Confident72.5Confident79 Ų7977.3 Ų77.337%0.36939%0.385SS..Hα-helixtrans-54.9-42.2174.8-176.8178.64.900111.8F28 E29 L30 E54Q26-F28 VanDerWaalsContact C-N 3.34Å; Q26-F28 PolarHBondContact O-N 3.05Å; Q26-E29 PolarHBondContact O-N 3.14Å; Q26-L30 HydrophobicContact CG-CD1 4.3Å; Q26-L30 WeakPolarHBondContact O-CG 3.43Å; Q26-L30 PolarHBondContact O-N 2.85Å; Q26-E54 PolarHBondContact NE2-OE2 3.47Å
27R81.4Confident73.9Confident28 Ų2868.6 Ų68.611%0.10636%0.358CS..Hα-helixtrans-66.9-33.1178.5-68.1-169.6-170.1145.317113.7F21 T25 L30 H31 D58 V62 P136F21-R27 HydrophobicContact CD1-CB 3.71Å; F21-R27 HydrophobicContact CE1-CB 4.19Å; T25-R27 VanDerWaalsContact C-N 3.26Å; T25-R27 PolarHBondContact O-N 2.78Å; R27-L30 PolarHBondContact O-N 3.49Å; R27-H31 WeakPolarHBondContact O-CB 3.34Å; R27-H31 PolarHBondContact O-N 3.13Å; R27-D58 IonicContact CZ-OD1 3.85Å; R27-D58 IonicContact NE-OD1 3.9Å; R27-D58 PolarHBondContact NE-OD1 2.83Å; R27-D58 IonicContact NH2-OD1 2.95Å; R27-D58 PolarHBondContact NH2-OD1 3.43Å; R27-D58 VanDerWaalsContact NH2-OD1 3.13Å; R27-V62 HydrophobicContact CB-CG2 3.77Å; R27-V62 HydrophobicContact CG-CG2 3.98Å; R27-P136 PolarHBondContact NH1-O 3.39Å; R27-P136 PolarHBondContact NH2-O 3.38Å
28F82.4Confident75.2Confident59 Ų5968.2 Ų68.226%0.25935%0.353SS..Hα-helixtrans-65-43.8172.7176.8-95.6000111.3F21 E22 P23 T25 Q26 H31 K32F21-F28 HydrophobicContact CB-CB 3.79Å; F21-F28 HydrophobicContact CB-CD2 4.01Å; F21-F28 HydrophobicContact CB-CG 4.42Å; F21-F28 VanDerWaalsContact O-CD2 3.27Å; F21-F28 WeakPolarHBondContact O-CD2 3.3Å; E22-F28 WeakPolarHBondContact O-CB 3.25Å; P23-F28 HydrophobicContact CB-CE1 4.38Å; P23-F28 HydrophobicContact CB-CZ 4.34Å; P23-F28 HydrophobicContact CG-CE2 4.24Å; P23-F28 HydrophobicContact CG-CZ 4.43Å; T25-F28 WeakPolarHBondContact O-CB 3.44Å; T25-F28 PolarHBondContact O-N 2.93Å; T25-F28 VanDerWaalsContact O-N 3.1Å; T25-F28 WeakPolarHBondContact OG1-CB 3.45Å; T25-F28 PolarHBondContact OG1-N 3.38Å; Q26-F28 VanDerWaalsContact C-N 3.34Å; Q26-F28 PolarHBondContact O-N 3.05Å; F28-H31 PolarHBondContact O-N 3.17Å; F28-K32 WeakPolarHBondContact O-CB 3.25Å; F28-K32 PolarHBondContact O-N 3.37Å
29E83.9Confident76.4Confident78 Ų7867.7 Ų67.736%0.36436%0.357SS..Hα-helixtrans-64.9-40.5175.4-67.2-54.8140.200112T25 Q26 K32 K33T25-E29 PolarHBondContact O-N 3.49Å; T25-E29 VanDerWaalsContact O-N 3.12Å; Q26-E29 PolarHBondContact O-N 3.14Å; E29-K32 PolarHBondContact O-N 3.14Å; E29-K33 WeakPolarHBondContact O-CB 3.34Å; E29-K33 VanDerWaalsContact O-CG 3.3Å; E29-K33 WeakPolarHBondContact O-CG 3.47Å; E29-K33 PolarHBondContact O-N 3.48Å
30L82.1Confident77Confident0 Ų069 Ų690%038%0.378CS..Hα-helixtrans-60.6-45.8173.1-75.7176.1000112.2Q26 R27 K32 K33 A34 E54 D58 W59 V62Q26-L30 HydrophobicContact CG-CD1 4.3Å; Q26-L30 WeakPolarHBondContact O-CG 3.43Å; Q26-L30 PolarHBondContact O-N 2.85Å; R27-L30 PolarHBondContact O-N 3.49Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 3.09Å; L30-K33 PolarHBondContact O-N 3.38Å; L30-A34 WeakPolarHBondContact O-CB 3.42Å; L30-A34 PolarHBondContact O-N 2.98Å; L30-E54 HydrophobicContact CD2-CB 4.22Å; L30-E54 VanDerWaalsContact CD2-CD 3.46Å; L30-E54 HydrophobicContact CD2-CG 3.69Å; L30-D58 HydrophobicContact CD1-CB 3.91Å; L30-W59 HydrophobicContact CB-CE3 4.26Å; L30-W59 HydrophobicContact CB-CZ3 4.26Å; L30-W59 HydrophobicContact CD2-CE3 3.87Å; L30-W59 HydrophobicContact CD2-CZ3 4.03Å; L30-W59 HydrophobicContact CG-CE3 4.46Å; L30-V62 HydrophobicContact CB-CG2 4.02Å; L30-V62 HydrophobicContact CD1-CG2 4.47Å
31H83.1Confident77.1Confident31 Ų3164.5 Ų64.514%0.14438%0.377CS..Hα-helixtrans-60.2-43.3176.3-179.264.3000111.7F21 R27 F28 A34 Q35 V62 D66F21-H31 HydrophobicContact CD2-CB 3.46Å; F21-H31 VanDerWaalsContact CD2-CB 3.46Å; F21-H31 AromaticContact CD2-CD2 3.62Å; F21-H31 AromaticContact CD2-CG 3.38Å; F21-H31 AromaticContact CD2-ND1 3.87Å; F21-H31 HydrophobicContact CE2-CB 3.68Å; F21-H31 AromaticContact CE2-CD2 4Å; F21-H31 AromaticContact CE2-CE1 3.94Å; F21-H31 AromaticContact CE2-CG 3.45Å; F21-H31 VanDerWaalsContact CE2-CG 3.45Å; F21-H31 AromaticContact CE2-ND1 3.45Å; F21-H31 WeakPolarHBondContact CE2-ND1 3.37Å; F21-H31 HydrophobicContact CG-CB 4.19Å; R27-H31 WeakPolarHBondContact O-CB 3.34Å; R27-H31 PolarHBondContact O-N 3.13Å; F28-H31 PolarHBondContact O-N 3.17Å; H31-A34 PolarHBondContact O-N 3.37Å; H31-Q35 PolarHBondContact CE1-NE2 3.11Å; H31-Q35 PolarHBondContact NE2-NE2 2.8Å; H31-Q35 WeakPolarHBondContact O-CG 3.35Å; H31-Q35 PolarHBondContact O-N 3.2Å; H31-V62 HydrophobicContact CB-CG1 3.79Å; H31-D66 IonicContact CE1-OD1 2.75Å
32K84.2Confident77.1Confident116 Ų11666.7 Ų66.750%0.50439%0.39SS..Hα-helixtrans-63.8-43176.7-175-176.7174-170.20111.9F28 E29 L30 Q35 A36F28-K32 WeakPolarHBondContact O-CB 3.25Å; F28-K32 PolarHBondContact O-N 3.37Å; E29-K32 PolarHBondContact O-N 3.14Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 3.09Å; K32-Q35 PolarHBondContact O-N 3.01Å; K32-A36 VanDerWaalsContact O-CB 3.29Å; K32-A36 WeakPolarHBondContact O-CB 3.23Å; K32-A36 PolarHBondContact O-N 3.03Å
33K80.8Confident77.6Confident93 Ų9364.5 Ų64.540%0.40438%0.383SS..Hα-helixtrans-59.5-46174.2-74.1173.3-174.6-1790111.4E29 L30 A36 S37 E54E29-K33 WeakPolarHBondContact O-CB 3.34Å; E29-K33 VanDerWaalsContact O-CG 3.3Å; E29-K33 WeakPolarHBondContact O-CG 3.47Å; E29-K33 PolarHBondContact O-N 3.48Å; L30-K33 PolarHBondContact O-N 3.38Å; K33-A36 PolarHBondContact O-N 2.97Å; K33-S37 PolarHBondContact O-N 3.46Å; K33-S37 PolarHBondContact O-OG 2.7Å; K33-E54 IonicContact NZ-OE1 2.74Å; K33-E54 PolarHBondContact NZ-OE1 2.93Å
34A76.4Confident78.1Confident7 Ų760.7 Ų60.76%0.05836%0.356CS..Hα-helixtrans-60.6-48.5177.200000111.3L30 H31 S37 L38 W59L30-A34 WeakPolarHBondContact O-CB 3.42Å; L30-A34 PolarHBondContact O-N 2.98Å; H31-A34 PolarHBondContact O-N 3.37Å; A34-S37 PolarHBondContact O-N 2.92Å; A34-L38 WeakPolarHBondContact O-CG 3.31Å; A34-L38 PolarHBondContact O-N 3.13Å; A34-L38 VanDerWaalsContact O-N 3.1Å; A34-W59 HydrophobicContact CB-CH2 3.8Å; A34-W59 HydrophobicContact CB-CZ3 4.12Å
35Q80Confident78.8Confident83 Ų8361.5 Ų61.539%0.38834%0.339SS..Hα-helixtrans-64.5-42178.5-75.2-174.2-19.800113.3H31 K32 S37 L38 N39H31-Q35 PolarHBondContact CE1-NE2 3.11Å; H31-Q35 PolarHBondContact NE2-NE2 2.8Å; H31-Q35 WeakPolarHBondContact O-CG 3.35Å; H31-Q35 PolarHBondContact O-N 3.2Å; K32-Q35 PolarHBondContact O-N 3.01Å; Q35-S37 VanDerWaalsContact C-N 3.25Å; Q35-S37 PolarHBondContact O-N 3.39Å; Q35-L38 PolarHBondContact O-N 3.04Å; Q35-N39 WeakPolarHBondContact O-CB 3.33Å; Q35-N39 PolarHBondContact O-N 3.45Å; Q35-N39 PolarHBondContact O-ND2 3.46Å
36A73.8Confident79.1Confident57 Ų5765.8 Ų65.847%0.47136%0.357SS..Hα-helixtrans-59.9-41176.800000110.9K32 K33 N39 A40K32-A36 VanDerWaalsContact O-CB 3.29Å; K32-A36 WeakPolarHBondContact O-CB 3.23Å; K32-A36 PolarHBondContact O-N 3.03Å; K33-A36 PolarHBondContact O-N 2.97Å; A36-N39 PolarHBondContact O-N 3.47Å; A36-A40 VanDerWaalsContact O-CB 3.29Å; A36-A40 WeakPolarHBondContact O-CB 3.44Å; A36-A40 PolarHBondContact O-N 2.9Å
37S73.1Confident79.4Confident33 Ų3362.4 Ų62.423%0.23134%0.343CS..Hα-helixtrans-65.1-44.1179.5-57.30000112.1K33 A34 Q35 N39 A40 L42K33-S37 PolarHBondContact O-N 3.46Å; K33-S37 PolarHBondContact O-OG 2.7Å; A34-S37 PolarHBondContact O-N 2.92Å; Q35-S37 VanDerWaalsContact C-N 3.25Å; Q35-S37 PolarHBondContact O-N 3.39Å; S37-N39 PolarHBondContact O-N 3.23Å; S37-A40 PolarHBondContact O-N 3.42Å; S37-L42 WeakPolarHBondContact O-CB 3.18Å; S37-L42 PolarHBondContact O-N 3.12Å
38L74.4Confident80.1Confident39 Ų3961.1 Ų61.120%0.20434%0.338CS..Hα-helixtrans-62-41.5174.9-66.8173000112.2A34 Q35 G41 L44 A47A34-L38 WeakPolarHBondContact O-CG 3.31Å; A34-L38 PolarHBondContact O-N 3.13Å; A34-L38 VanDerWaalsContact O-N 3.1Å; Q35-L38 PolarHBondContact O-N 3.04Å; L38-G41 PolarHBondContact O-N 3.42Å; L38-L44 HydrophobicContact CD2-CD2 3.28Å; L38-A47 HydrophobicContact CD2-CB 4.31Å
39N72.6Confident80.6Confident139 Ų13963 Ų6374%0.74335%0.348SS*.Hα-helixtrans-75.5-25.7-178-68.7-22.8000113.3Q35 A36 S37 G41Q35-N39 WeakPolarHBondContact O-CB 3.33Å; Q35-N39 PolarHBondContact O-N 3.45Å; Q35-N39 PolarHBondContact O-ND2 3.46Å; A36-N39 PolarHBondContact O-N 3.47Å; S37-N39 PolarHBondContact O-N 3.23Å; N39-G41 PolarHBondContact O-N 3.16Å
40A68.1Low81.2Confident75 Ų7562.3 Ų62.362%0.6235%0.346SS*.THydrogen-bonded Turntrans-75.2-2.4176.500000113.2A36 S37 L42A36-A40 VanDerWaalsContact O-CB 3.29Å; A36-A40 WeakPolarHBondContact O-CB 3.44Å; A36-A40 PolarHBondContact O-N 2.9Å; S37-A40 PolarHBondContact O-N 3.42Å; A40-L42 VanDerWaalsContact C-N 3.25Å; A40-L42 HydrophobicContact CB-CG 4.44Å; A40-L42 PolarHBondContact O-N 3.08Å
41G64.3Low81.8Confident67 Ų6764.1 Ų64.169%0.69136%0.358SS*.THydrogen-bonded Turntrans69.722.2-17800000113.4L38 N39L38-G41 PolarHBondContact O-N 3.42Å; N39-G41 PolarHBondContact O-N 3.16Å
42L67.5Low82.2Confident80 Ų8072.1 Ų72.142%0.41940%0.395SS..  trans-60153.1171.9-75.8166.6000110.4S37 A40 L44S37-L42 WeakPolarHBondContact O-CB 3.18Å; S37-L42 PolarHBondContact O-N 3.12Å; A40-L42 VanDerWaalsContact C-N 3.25Å; A40-L42 HydrophobicContact CB-CG 4.44Å; A40-L42 PolarHBondContact O-N 3.08Å; L42-L44 PolarHBondContact O-N 2.91Å; L42-L44 VanDerWaalsContact O-N 3.16Å
43D85.5Confident82.7Confident82 Ų8270.1 Ų70.144%0.43941%0.407SS..  trans-54.9122.7170.1-178-5.2000108.9K45 Q46 A47D43-K45 PolarHBondContact O-N 2.93Å; D43-K45 VanDerWaalsContact O-N 3.09Å; D43-K45 PolarHBondContact OD1-N 3.12Å; D43-Q46 HydrophobicContact CB-CG 4.26Å; D43-Q46 WeakPolarHBondContact O-CA 3.32Å; D43-Q46 WeakPolarHBondContact O-CB 3.49Å; D43-Q46 PolarHBondContact O-N 2.75Å; D43-A47 PolarHBondContact O-N 2.75Å
44L87.2Confident83.3Confident28 Ų2867.6 Ų67.615%0.14740%0.397CS..Hα-helixtrans-56.4-28.2-179-66.8176.9000112L38 L42 A47 V48 K187 Y191L38-L44 HydrophobicContact CD2-CD2 3.28Å; L42-L44 PolarHBondContact O-N 2.91Å; L42-L44 VanDerWaalsContact O-N 3.16Å; L44-A47 PolarHBondContact O-N 2.95Å; L44-V48 WeakPolarHBondContact O-CG1 3.31Å; L44-V48 PolarHBondContact O-N 3.27Å; L44-K187 HydrophobicContact CD1-CB 3.62Å; L44-K187 HydrophobicContact CD1-CD 4.33Å; L44-Y191 HydrophobicContact CB-CD2 3.56Å; L44-Y191 HydrophobicContact CB-CE2 3.78Å; L44-Y191 HydrophobicContact CD1-CE2 4.41Å
45K89.1Confident84.2Confident91 Ų9170.5 Ų70.540%0.39641%0.412SS..Hα-helixtrans-65.7-37.6174.3-69.6-178.5-179.9173.20112.4D43 V48 Y191D43-K45 PolarHBondContact O-N 2.93Å; D43-K45 VanDerWaalsContact O-N 3.09Å; D43-K45 PolarHBondContact OD1-N 3.12Å; K45-V48 VanDerWaalsContact O-CG2 3.22Å; K45-V48 WeakPolarHBondContact O-CG2 3.45Å; K45-Y191 HydrophobicContact CD-CE1 4.29Å; K45-Y191 HydrophobicContact CG-CD1 3.94Å; K45-Y191 HydrophobicContact CG-CD2 3.88Å; K45-Y191 HydrophobicContact CG-CE1 3.91Å; K45-Y191 HydrophobicContact CG-CE2 3.84Å; K45-Y191 HydrophobicContact CG-CG 3.93Å
46Q88.6Confident84.9Confident116 Ų11670.1 Ų70.154%0.54241%0.412SS..Hα-helixtrans-74.6-38.5174.8-65.2178.89.300110.9D43 V48 Q49D43-Q46 HydrophobicContact CB-CG 4.26Å; D43-Q46 WeakPolarHBondContact O-CA 3.32Å; D43-Q46 WeakPolarHBondContact O-CB 3.49Å; D43-Q46 PolarHBondContact O-N 2.75Å; Q46-V48 PolarHBondContact O-N 3.16Å; Q46-Q49 WeakPolarHBondContact O-CB 3.16Å; Q46-Q49 PolarHBondContact O-N 3.12Å; Q46-Q49 VanDerWaalsContact O-N 3.16Å
47A89.6Confident86Confident8 Ų869.7 Ų69.77%0.06640%0.401CS..Hα-helixtrans-62.6-24.7-178.200000114.1L38 D43 L44L38-A47 HydrophobicContact CD2-CB 4.31Å; D43-A47 PolarHBondContact O-N 2.75Å; L44-A47 PolarHBondContact O-N 2.95Å
48V94.4Very high87.1Confident1 Ų169.1 Ų69.11%0.00640%0.396CS..THydrogen-bonded Turntrans-87.3-13.4178.9-64.40000114L44 K45 Q46 W59 H188 F192 E195 F196L44-V48 WeakPolarHBondContact O-CG1 3.31Å; L44-V48 PolarHBondContact O-N 3.27Å; K45-V48 VanDerWaalsContact O-CG2 3.22Å; K45-V48 WeakPolarHBondContact O-CG2 3.45Å; Q46-V48 PolarHBondContact O-N 3.16Å; V48-W59 PolarHBondContact O-NE1 2.89Å; V48-H188 VanDerWaalsContact CG1-CD2 3.43Å; V48-H188 WeakPolarHBondContact CG1-CD2 3.15Å; V48-F192 HydrophobicContact CB-CB 4.3Å; V48-F192 HydrophobicContact CB-CD2 3.98Å; V48-F192 HydrophobicContact CG1-CB 3.88Å; V48-F192 HydrophobicContact CG1-CD2 4.14Å; V48-E195 HydrophobicContact CG2-CB 4.28Å; V48-E195 HydrophobicContact CG2-CG 4.45Å; V48-F196 VanDerWaalsContact O-CE2 3.27Å; V48-F196 WeakPolarHBondContact O-CE2 3.23Å; V48-F196 WeakPolarHBondContact O-CZ 3.29Å
49Q94.9Very high88.1Confident100 Ų10067.5 Ų67.547%0.46739%0.387SS..SBendtrans-63.3145.1-177.2-68.3-176.3-2600111.2Q46 P51 W59Q46-Q49 WeakPolarHBondContact O-CB 3.16Å; Q46-Q49 PolarHBondContact O-N 3.12Å; Q46-Q49 VanDerWaalsContact O-N 3.16Å; Q49-P51 VanDerWaalsContact O-CD 3.28Å; Q49-P51 WeakPolarHBondContact O-CD 3.34Å; Q49-W59 WeakPolarHBondContact O-CZ2 3.24Å
50L95.9Very high89.3Confident62 Ų6260.9 Ų60.933%0.32535%0.352SS..PPolyproline II helixtrans-63.8120.3175.3179.365.1000108.8E54 L56 W59 F196L50-E54 HydrophobicContact CD1-CB 4.06Å; L50-L56 HydrophobicContact CD2-CB 4.24Å; L50-L56 HydrophobicContact CD2-CD1 4.46Å; L50-W59 HydrophobicContact CD1-CB 3.48Å; L50-W59 VanDerWaalsContact CD1-CB 3.48Å; L50-W59 HydrophobicContact CD1-CG 3.71Å; L50-F196 HydrophobicContact CB-CE1 4.1Å; L50-F196 HydrophobicContact CB-CZ 4.06Å
51P94Very high90.6Very high38 Ų3857.4 Ų57.425%0.24732%0.323CS..PPolyproline II helixtrans-63.4146.4178-18.430.5000111.1Q49 G53 E54 W59Q49-P51 VanDerWaalsContact O-CD 3.28Å; Q49-P51 WeakPolarHBondContact O-CD 3.34Å; P51-G53 PolarHBondContact O-N 3.45Å; P51-E54 HydrophobicContact CB-CG 3.8Å; P51-E54 HydrophobicContact CG-CG 4.22Å; P51-E54 WeakPolarHBondContact O-CB 3.24Å; P51-E54 PolarHBondContact O-N 2.78Å; P51-E54 VanDerWaalsContact O-N 3.12Å; P51-W59 HydrophobicContact CG-CE3 4.45Å; P51-W59 HydrophobicContact CG-CH2 4.1Å; P51-W59 HydrophobicContact CG-CZ2 4.37Å; P51-W59 HydrophobicContact CG-CZ3 4.15Å
52H92.6Very high92.1Very high199 Ų19954.2 Ų54.292%0.92129%0.29SS*.THydrogen-bonded Turntrans-57.4125.5-176.6179.2-81.8000111.8E54H52-E54 VanDerWaalsContact C-N 3.35Å
53G93.1Very high93.5Very high75 Ų7550.5 Ų50.577%0.77327%0.271SS*.THydrogen-bonded Turntrans83.32.7177.800000115.3P51P51-G53 PolarHBondContact O-N 3.45Å
54E94.4Very high94.1Very high39 Ų3946.6 Ų46.618%0.18225%0.25CC..  trans-89.7156175.5-59.4-72.7-176.500111.8Q26 L30 K33 L50 P51 H52Q26-E54 PolarHBondContact NE2-OE2 3.47Å; L30-E54 HydrophobicContact CD2-CB 4.22Å; L30-E54 VanDerWaalsContact CD2-CD 3.46Å; L30-E54 HydrophobicContact CD2-CG 3.69Å; K33-E54 IonicContact NZ-OE1 2.74Å; K33-E54 PolarHBondContact NZ-OE1 2.93Å; L50-E54 HydrophobicContact CD1-CB 4.06Å; P51-E54 HydrophobicContact CB-CG 3.8Å; P51-E54 HydrophobicContact CG-CG 4.22Å; P51-E54 WeakPolarHBondContact O-CB 3.24Å; P51-E54 PolarHBondContact O-N 2.78Å; P51-E54 VanDerWaalsContact O-N 3.12Å; H52-E54 VanDerWaalsContact C-N 3.35Å
55D94.4Very high94.4Very high69 Ų6945.5 Ų45.537%0.36924%0.244SC..  trans-79.9137.2175.7178-96.9000111.7N57 D58 W59D55-N57 PolarHBondContact O-N 3.25Å; D55-N57 VanDerWaalsContact OD1-CA 3.31Å; D55-N57 WeakPolarHBondContact OD1-CA 3.45Å; D55-N57 VanDerWaalsContact OD1-CB 3.23Å; D55-N57 WeakPolarHBondContact OD1-CB 3.34Å; D55-N57 PolarHBondContact OD1-N 3.42Å; D55-D58 HydrophobicContact CB-CB 4.27Å; D55-D58 PolarHBondContact O-N 2.91Å; D55-D58 PolarHBondContact OD1-N 3.2Å; D55-W59 PolarHBondContact O-N 2.85Å
56L96.3Very high94.6Very high75 Ų7542.1 Ų42.139%0.39323%0.231SC..Hα-helixtrans-65.2-39.1-178.9177.961.6000112.5L50 W59 V60 F196L50-L56 HydrophobicContact CD2-CB 4.24Å; L50-L56 HydrophobicContact CD2-CD1 4.46Å; L56-W59 PolarHBondContact O-N 3.38Å; L56-V60 HydrophobicContact CD1-CG2 4.06Å; L56-V60 HydrophobicContact CG-CG2 4.44Å; L56-V60 VanDerWaalsContact O-CG2 3.3Å; L56-V60 WeakPolarHBondContact O-CG2 3.45Å; L56-V60 PolarHBondContact O-N 2.86Å; L56-F196 HydrophobicContact CD1-CD1 3.51Å; L56-F196 HydrophobicContact CD1-CE1 3.57Å; L56-F196 HydrophobicContact CD1-CG 4.2Å; L56-F196 HydrophobicContact CD1-CZ 4.31Å
57N96.7Very high95.1Very high47 Ų4736.6 Ų36.625%0.25121%0.205SC..Hα-helixtrans-70.4-39.4-178.4-64.5-40.6000111.1D55 W59 V60 A61 F143 F147D55-N57 PolarHBondContact O-N 3.25Å; D55-N57 VanDerWaalsContact OD1-CA 3.31Å; D55-N57 WeakPolarHBondContact OD1-CA 3.45Å; D55-N57 VanDerWaalsContact OD1-CB 3.23Å; D55-N57 WeakPolarHBondContact OD1-CB 3.34Å; D55-N57 PolarHBondContact OD1-N 3.42Å; N57-W59 VanDerWaalsContact C-N 3.35Å; N57-V60 PolarHBondContact O-N 2.96Å; N57-A61 VanDerWaalsContact O-CB 3.24Å; N57-A61 WeakPolarHBondContact O-CB 3.4Å; N57-A61 PolarHBondContact O-N 2.8Å; N57-F143 HydrophobicContact CB-CB 4.28Å; N57-F143 HydrophobicContact CB-CD1 4.32Å; N57-F143 HydrophobicContact CB-CD2 3.36Å; N57-F143 HydrophobicContact CB-CE1 4.49Å; N57-F143 HydrophobicContact CB-CE2 3.58Å; N57-F143 HydrophobicContact CB-CG 3.74Å; N57-F143 HydrophobicContact CB-CZ 4.13Å; N57-F147 HydrophobicContact CB-CD1 3.72Å; N57-F147 HydrophobicContact CB-CE1 3.59Å; N57-F147 WeakPolarHBondContact O-CE1 3.41Å; N57-F147 WeakPolarHBondContact O-CZ 3.46Å; N57-F147 WeakPolarHBondContact OD1-CD1 3.38Å
58D94.6Very high95.4Very high22 Ų2236.7 Ų36.712%0.11820%0.204CC..Hα-helixtrans-61.4-43.5172.6-79-57.7000111.8R27 L30 D55 A61 V62 F143R27-D58 IonicContact CZ-OD1 3.85Å; R27-D58 IonicContact NE-OD1 3.9Å; R27-D58 PolarHBondContact NE-OD1 2.83Å; R27-D58 IonicContact NH2-OD1 2.95Å; R27-D58 PolarHBondContact NH2-OD1 3.43Å; R27-D58 VanDerWaalsContact NH2-OD1 3.13Å; L30-D58 HydrophobicContact CD1-CB 3.91Å; D55-D58 HydrophobicContact CB-CB 4.27Å; D55-D58 PolarHBondContact O-N 2.91Å; D55-D58 PolarHBondContact OD1-N 3.2Å; D58-A61 PolarHBondContact O-N 3.13Å; D58-V62 WeakPolarHBondContact O-CG2 3.41Å; D58-V62 PolarHBondContact O-N 3.41Å; D58-F143 HydrophobicContact CB-CE2 4.4Å; D58-F143 WeakPolarHBondContact OD1-CE2 3.32Å
59W96.3Very high95.3Very high4 Ų438.3 Ų38.32%0.01521%0.212CC..Hα-helixtrans-61.3-46.2176.4-171.4-125.3000112.4L30 A34 V48 Q49 L50 P51 D55 L56 N57 V62 H63 F192 F196L30-W59 HydrophobicContact CB-CE3 4.26Å; L30-W59 HydrophobicContact CB-CZ3 4.26Å; L30-W59 HydrophobicContact CD2-CE3 3.87Å; L30-W59 HydrophobicContact CD2-CZ3 4.03Å; L30-W59 HydrophobicContact CG-CE3 4.46Å; A34-W59 HydrophobicContact CB-CH2 3.8Å; A34-W59 HydrophobicContact CB-CZ3 4.12Å; V48-W59 PolarHBondContact O-NE1 2.89Å; Q49-W59 WeakPolarHBondContact O-CZ2 3.24Å; L50-W59 HydrophobicContact CD1-CB 3.48Å; L50-W59 VanDerWaalsContact CD1-CB 3.48Å; L50-W59 HydrophobicContact CD1-CG 3.71Å; P51-W59 HydrophobicContact CG-CE3 4.45Å; P51-W59 HydrophobicContact CG-CH2 4.1Å; P51-W59 HydrophobicContact CG-CZ2 4.37Å; P51-W59 HydrophobicContact CG-CZ3 4.15Å; D55-W59 PolarHBondContact O-N 2.85Å; L56-W59 PolarHBondContact O-N 3.38Å; N57-W59 VanDerWaalsContact C-N 3.35Å; W59-V62 PolarHBondContact O-N 3.19Å; W59-H63 AromaticContact CD2-CE1 3.51Å; W59-H63 AromaticContact CD2-ND1 3.74Å; W59-H63 AromaticContact CE2-CE1 3.22Å; W59-H63 AromaticContact CE2-ND1 3.79Å; W59-H63 AromaticContact CE3-CE1 3.68Å; W59-H63 AromaticContact CH2-CE1 3.43Å; W59-H63 VanDerWaalsContact CH2-CE1 3.43Å; W59-H63 WeakPolarHBondContact CH2-CE1 3.42Å; W59-H63 AromaticContact CZ2-CE1 3.2Å; W59-H63 WeakPolarHBondContact CZ2-CE1 3.21Å; W59-H63 AromaticContact CZ2-NE2 3.8Å; W59-H63 AromaticContact CZ3-CE1 3.64Å; W59-H63 AromaticContact NE1-CE1 3.85Å; W59-H63 PolarHBondContact O-N 2.88Å; W59-H63 PolarHBondContact O-ND1 2.76Å; W59-F192 AromaticContact CD1-CE2 3.85Å; W59-F192 AromaticContact NE1-CE2 3.67Å; W59-F196 AromaticContact CD1-CE2 3.73Å; W59-F196 AromaticContact CD1-CZ 3.59Å; W59-F196 AromaticContact NE1-CE2 3.77Å; W59-F196 AromaticContact NE1-CZ 3.75Å
60V97.8Very high95.3Very high1 Ų136.2 Ų36.21%0.00620%0.2CC..Hα-helixtrans-65.4-40.3176.2175.20000111.8L56 N57 V62 H63 V64 F147 M148 A151 F192 L198L56-V60 HydrophobicContact CD1-CG2 4.06Å; L56-V60 HydrophobicContact CG-CG2 4.44Å; L56-V60 VanDerWaalsContact O-CG2 3.3Å; L56-V60 WeakPolarHBondContact O-CG2 3.45Å; L56-V60 PolarHBondContact O-N 2.86Å; N57-V60 PolarHBondContact O-N 2.96Å; V60-V62 VanDerWaalsContact C-N 3.32Å; V60-V62 PolarHBondContact O-N 2.85Å; V60-H63 PolarHBondContact O-N 2.91Å; V60-V64 HydrophobicContact CG1-CG2 3.93Å; V60-V64 WeakPolarHBondContact O-CB 3.48Å; V60-V64 VanDerWaalsContact O-CG2 3.26Å; V60-V64 WeakPolarHBondContact O-CG2 2.94Å; V60-V64 PolarHBondContact O-N 3.32Å; V60-F147 HydrophobicContact CB-CE1 4.29Å; V60-F147 HydrophobicContact CB-CZ 4.41Å; V60-F147 HydrophobicContact CG1-CE1 4.33Å; V60-F147 HydrophobicContact CG1-CZ 4.27Å; V60-M148 HydrophobicContact CB-CE 3.85Å; V60-M148 HydrophobicContact CG1-CE 3.52Å; V60-M148 HydrophobicContact CG1-SD 4.37Å; V60-M148 HydrophobicContact CG2-CE 4.02Å; V60-A151 HydrophobicContact CG1-CB 3.89Å; V60-F192 HydrophobicContact CB-CZ 4.4Å; V60-F192 HydrophobicContact CG2-CE1 4.35Å; V60-F192 HydrophobicContact CG2-CZ 3.96Å; V60-L198 HydrophobicContact CG1-CD1 4.24Å; V60-L198 HydrophobicContact CG2-CD1 4.19Å
61A96Very high95.4Very high1 Ų133.3 Ų33.31%0.00819%0.185CC..Hα-helixtrans-60.8-43.4178.500000111.6N57 D58 H63 V64 V65 F135 F143 F147N57-A61 VanDerWaalsContact O-CB 3.24Å; N57-A61 WeakPolarHBondContact O-CB 3.4Å; N57-A61 PolarHBondContact O-N 2.8Å; D58-A61 PolarHBondContact O-N 3.13Å; A61-H63 VanDerWaalsContact C-N 3.35Å; A61-H63 PolarHBondContact O-N 3.02Å; A61-V64 PolarHBondContact O-N 3.25Å; A61-V65 WeakPolarHBondContact O-CG2 3.47Å; A61-V65 PolarHBondContact O-N 2.8Å; A61-F135 HydrophobicContact CB-CD1 3.98Å; A61-F135 HydrophobicContact CB-CE1 4.1Å; A61-F143 HydrophobicContact CB-CE1 3.84Å; A61-F143 HydrophobicContact CB-CZ 3.66Å; A61-F147 HydrophobicContact CB-CE2 4.16Å; A61-F147 HydrophobicContact CB-CZ 3.79Å
62V94.3Very high95.3Very high1 Ų134.2 Ų34.21%0.00619%0.187CC..Hα-helixtrans-60.1-46176.9168.80000111.2F21 R27 L30 H31 D58 W59 V60 V65 D66F21-V62 HydrophobicContact CD1-CG2 4.47Å; F21-V62 HydrophobicContact CE1-CB 4.36Å; F21-V62 HydrophobicContact CE1-CG2 3.84Å; F21-V62 HydrophobicContact CE2-CG1 4.22Å; F21-V62 HydrophobicContact CZ-CB 4.07Å; F21-V62 HydrophobicContact CZ-CG1 3.97Å; F21-V62 HydrophobicContact CZ-CG2 4.03Å; R27-V62 HydrophobicContact CB-CG2 3.77Å; R27-V62 HydrophobicContact CG-CG2 3.98Å; L30-V62 HydrophobicContact CB-CG2 4.02Å; L30-V62 HydrophobicContact CD1-CG2 4.47Å; H31-V62 HydrophobicContact CB-CG1 3.79Å; D58-V62 WeakPolarHBondContact O-CG2 3.41Å; D58-V62 PolarHBondContact O-N 3.41Å; W59-V62 PolarHBondContact O-N 3.19Å; V60-V62 VanDerWaalsContact C-N 3.32Å; V60-V62 PolarHBondContact O-N 2.85Å; V62-V65 PolarHBondContact O-N 2.76Å; V62-D66 PolarHBondContact O-N 2.74Å
63H97.1Very high95.2Very high2 Ų227.2 Ų27.21%0.00916%0.157CC..Hα-helixtrans-69.6-40.9-179.1-77.276.2000113.1W59 V60 A61 V65 D66 F67 H188 F192W59-H63 AromaticContact CD2-CE1 3.51Å; W59-H63 AromaticContact CD2-ND1 3.74Å; W59-H63 AromaticContact CE2-CE1 3.22Å; W59-H63 AromaticContact CE2-ND1 3.79Å; W59-H63 AromaticContact CE3-CE1 3.68Å; W59-H63 AromaticContact CH2-CE1 3.43Å; W59-H63 VanDerWaalsContact CH2-CE1 3.43Å; W59-H63 WeakPolarHBondContact CH2-CE1 3.42Å; W59-H63 AromaticContact CZ2-CE1 3.2Å; W59-H63 WeakPolarHBondContact CZ2-CE1 3.21Å; W59-H63 AromaticContact CZ2-NE2 3.8Å; W59-H63 AromaticContact CZ3-CE1 3.64Å; W59-H63 AromaticContact NE1-CE1 3.85Å; W59-H63 PolarHBondContact O-N 2.88Å; W59-H63 PolarHBondContact O-ND1 2.76Å; V60-H63 PolarHBondContact O-N 2.91Å; A61-H63 VanDerWaalsContact C-N 3.35Å; A61-H63 PolarHBondContact O-N 3.02Å; H63-V65 VanDerWaalsContact C-N 3.28Å; H63-V65 PolarHBondContact O-N 2.76Å; H63-D66 PolarHBondContact O-N 2.93Å; H63-F67 HydrophobicContact CB-CD2 4.14Å; H63-F67 HydrophobicContact CB-CE2 3.86Å; H63-F67 WeakPolarHBondContact O-CB 3.42Å; H63-F67 WeakPolarHBondContact O-CD2 3.45Å; H63-F67 WeakPolarHBondContact O-CG 3.45Å; H63-F67 PolarHBondContact O-N 2.87Å; H63-H188 AromaticContact CD2-CE1 3.86Å; H63-H188 AromaticContact CD2-NE2 3.83Å; H63-H188 AromaticContact NE2-NE2 3.81Å; H63-F192 HydrophobicContact CB-CD1 4.06Å; H63-F192 HydrophobicContact CB-CD2 4.11Å; H63-F192 HydrophobicContact CB-CE1 3.56Å; H63-F192 HydrophobicContact CB-CE2 3.64Å; H63-F192 HydrophobicContact CB-CG 4.32Å; H63-F192 HydrophobicContact CB-CZ 3.37Å; H63-F192 AromaticContact CD2-CD2 3.35Å; H63-F192 WeakPolarHBondContact CD2-CD2 3.45Å; H63-F192 AromaticContact CD2-CE2 3.42Å; H63-F192 VanDerWaalsContact CD2-CE2 3.42Å; H63-F192 WeakPolarHBondContact CD2-CE2 3.44Å; H63-F192 AromaticContact CD2-CG 4Å; H63-F192 AromaticContact CE1-CE2 3.84Å; H63-F192 AromaticContact CG-CD2 3.57Å; H63-F192 AromaticContact CG-CE2 3.15Å; H63-F192 AromaticContact CG-CZ 3.44Å; H63-F192 VanDerWaalsContact CG-CZ 3.44Å; H63-F192 AromaticContact ND1-CE2 3.42Å; H63-F192 WeakPolarHBondContact ND1-CE2 3.38Å; H63-F192 AromaticContact ND1-CZ 3.82Å; H63-F192 AromaticContact NE2-CD2 3.89Å; H63-F192 AromaticContact NE2-CE2 3.87Å
64V97.8Very high95.2Very high0 Ų024.4 Ų24.40%012%0.124CC..Hα-helixtrans-57.8-43.6177.1168.20000110.9V60 A61 F68 I129 F135 A151 I154 L155V60-V64 HydrophobicContact CG1-CG2 3.93Å; V60-V64 WeakPolarHBondContact O-CB 3.48Å; V60-V64 VanDerWaalsContact O-CG2 3.26Å; V60-V64 WeakPolarHBondContact O-CG2 2.94Å; V60-V64 PolarHBondContact O-N 3.32Å; A61-V64 PolarHBondContact O-N 3.25Å; V64-F68 WeakPolarHBondContact O-CB 3.43Å; V64-F68 PolarHBondContact O-N 3.14Å; V64-I129 HydrophobicContact CG1-CG2 4.11Å; V64-F135 HydrophobicContact CB-CE1 4.28Å; V64-F135 HydrophobicContact CB-CZ 4.44Å; V64-F135 HydrophobicContact CG1-CE1 4.1Å; V64-F135 HydrophobicContact CG1-CZ 3.88Å; V64-A151 HydrophobicContact CG2-CB 4.12Å; V64-I154 HydrophobicContact CG1-CB 4.36Å; V64-I154 HydrophobicContact CG1-CD1 4.12Å; V64-I154 HydrophobicContact CG1-CG2 3.72Å; V64-L155 HydrophobicContact CG2-CD1 4.03Å; V64-L155 HydrophobicContact CG2-CD2 4.12Å; V64-L155 HydrophobicContact CG2-CG 4.03Å
65V94.8Very high95.2Very high5 Ų523.7 Ų23.73%0.0312%0.12CC..Hα-helixtrans-69.1-42.4177.8174.70000111.4F21 A61 V62 H63 F68 N69 I129F21-V65 HydrophobicContact CE2-CG1 4.46Å; F21-V65 HydrophobicContact CZ-CB 3.92Å; F21-V65 HydrophobicContact CZ-CG1 4Å; A61-V65 WeakPolarHBondContact O-CG2 3.47Å; A61-V65 PolarHBondContact O-N 2.8Å; V62-V65 PolarHBondContact O-N 2.76Å; H63-V65 VanDerWaalsContact C-N 3.28Å; H63-V65 PolarHBondContact O-N 2.76Å; V65-F68 PolarHBondContact O-N 3.18Å; V65-N69 PolarHBondContact O-N 3.48Å; V65-N69 PolarHBondContact O-ND2 3.04Å; V65-I129 HydrophobicContact CG2-CB 4.31Å; V65-I129 HydrophobicContact CG2-CG2 4.46Å
66D93.9Very high95.1Very high20 Ų2022.2 Ų22.211%0.10712%0.12CC..Hα-helixtrans-60.3-49.2176-173.462.2000111.6H31 V62 H63 F68 N69 R70H31-D66 IonicContact CE1-OD1 2.75Å; V62-D66 PolarHBondContact O-N 2.74Å; H63-D66 PolarHBondContact O-N 2.93Å; D66-F68 PolarHBondContact O-N 2.61Å; D66-N69 PolarHBondContact O-N 2.9Å; D66-R70 WeakPolarHBondContact O-CB 3.27Å; D66-R70 VanDerWaalsContact O-CG 3.32Å; D66-R70 WeakPolarHBondContact O-CG 3.44Å; D66-R70 PolarHBondContact O-N 2.78Å; D66-R70 WeakPolarHBondContact OD2-CD 3.42Å; D66-R70 IonicContact OD2-CZ 3.09Å; D66-R70 IonicContact OD2-NE 3.64Å; D66-R70 IonicContact OD2-NH1 2.75Å; D66-R70 PolarHBondContact OD2-NH1 3.13Å
67F97.6Very high94.7Very high0 Ų019.3 Ų19.30%011%0.106CC..Hα-helixtrans-62.4-44.1178.2-70.8-50.1000112.1H63 N69 R70 I71 L155 L158 H188 F189 F192H63-F67 HydrophobicContact CB-CD2 4.14Å; H63-F67 HydrophobicContact CB-CE2 3.86Å; H63-F67 WeakPolarHBondContact O-CB 3.42Å; H63-F67 WeakPolarHBondContact O-CD2 3.45Å; H63-F67 WeakPolarHBondContact O-CG 3.45Å; H63-F67 PolarHBondContact O-N 2.87Å; F67-N69 VanDerWaalsContact C-N 3.34Å; F67-N69 PolarHBondContact O-N 3.46Å; F67-R70 PolarHBondContact O-N 3.22Å; F67-I71 HydrophobicContact CB-CD1 4.14Å; F67-I71 WeakPolarHBondContact O-CB 3.46Å; F67-I71 WeakPolarHBondContact O-CD1 3.35Å; F67-I71 WeakPolarHBondContact O-CG1 3.5Å; F67-I71 PolarHBondContact O-N 3.17Å; F67-L155 HydrophobicContact CD2-CD2 4.04Å; F67-L158 HydrophobicContact CB-CD1 4.24Å; F67-H188 HydrophobicContact CE1-CB 4.23Å; F67-H188 AromaticContact CE1-CE1 3.8Å; F67-H188 AromaticContact CE1-CG 3.8Å; F67-H188 AromaticContact CE1-ND1 3.26Å; F67-H188 VanDerWaalsContact CE1-ND1 3.26Å; F67-H188 WeakPolarHBondContact CE1-ND1 3.28Å; F67-H188 AromaticContact CZ-CE1 3.66Å; F67-H188 AromaticContact CZ-CG 3.92Å; F67-H188 AromaticContact CZ-ND1 3.54Å; F67-F189 HydrophobicContact CB-CD2 4.2Å; F67-F189 HydrophobicContact CD1-CB 4.02Å; F67-F189 AromaticContact CD1-CD2 3.9Å; F67-F189 HydrophobicContact CD1-CD2 3.9Å; F67-F189 HydrophobicContact CD1-CG 4.48Å; F67-F189 AromaticContact CD2-CD2 3.97Å; F67-F189 HydrophobicContact CD2-CD2 3.97Å; F67-F189 VanDerWaalsContact CE1-CA 3.43Å; F67-F189 HydrophobicContact CE1-CB 3.72Å; F67-F189 HydrophobicContact CE1-CD2 4.27Å; F67-F189 HydrophobicContact CE1-CG 4.49Å; F67-F189 HydrophobicContact CE2-CD2 4.34Å; F67-F189 AromaticContact CG-CD2 3.77Å; F67-F189 HydrophobicContact CG-CD2 3.77Å; F67-F189 VanDerWaalsContact CZ-CA 3.44Å; F67-F189 HydrophobicContact CZ-CB 4.16Å; F67-F192 HydrophobicContact CE2-CB 3.79Å; F67-F192 AromaticContact CE2-CD1 3.67Å; F67-F192 HydrophobicContact CE2-CD1 3.67Å; F67-F192 HydrophobicContact CE2-CE1 4.45Å; F67-F192 AromaticContact CE2-CG 3.73Å; F67-F192 HydrophobicContact CE2-CG 3.73Å; F67-F192 HydrophobicContact CZ-CB 3.81Å; F67-F192 HydrophobicContact CZ-CG 4.17Å
68F96.9Very high94.5Very high10 Ų1017 Ų174%0.0449%0.094CC..Hα-helixtrans-55.1-50.7175170.1-106000111.3V64 V65 D66 R70 I71 N72 M122 I125 E126 I129 L158V64-F68 WeakPolarHBondContact O-CB 3.43Å; V64-F68 PolarHBondContact O-N 3.14Å; V65-F68 PolarHBondContact O-N 3.18Å; D66-F68 PolarHBondContact O-N 2.61Å; F68-R70 PolarHBondContact O-N 3.22Å; F68-I71 PolarHBondContact O-N 3.48Å; F68-N72 WeakPolarHBondContact O-CB 3.47Å; F68-N72 PolarHBondContact O-N 3.27Å; F68-M122 HydrophobicContact CD2-SD 4.26Å; F68-M122 HydrophobicContact CE2-CB 4.37Å; F68-M122 HydrophobicContact CE2-SD 3.85Å; F68-I125 HydrophobicContact CB-CG2 4.25Å; F68-I125 HydrophobicContact CD2-CB 3.89Å; F68-I125 HydrophobicContact CD2-CD1 4.37Å; F68-I125 HydrophobicContact CD2-CG2 3.37Å; F68-I125 HydrophobicContact CE2-CB 3.91Å; F68-I125 HydrophobicContact CE2-CG2 3.84Å; F68-I125 HydrophobicContact CG-CG2 3.88Å; F68-E126 HydrophobicContact CZ-CB 4.02Å; F68-I129 HydrophobicContact CD1-CD1 3.38Å; F68-I129 HydrophobicContact CE1-CD1 3.68Å; F68-I129 HydrophobicContact CG-CD1 4.08Å; F68-L158 HydrophobicContact CB-CD1 4.41Å; F68-L158 HydrophobicContact CD2-CD2 4.39Å
69N92.5Very high94.4Very high34 Ų3418.6 Ų18.618%0.18211%0.106CC..Hα-helixtrans-61.8-44-178.7-72.6-39.7000112.4V65 D66 F67 L73V65-N69 PolarHBondContact O-N 3.48Å; V65-N69 PolarHBondContact O-ND2 3.04Å; D66-N69 PolarHBondContact O-N 2.9Å; F67-N69 VanDerWaalsContact C-N 3.34Å; F67-N69 PolarHBondContact O-N 3.46Å; N69-L73 WeakPolarHBondContact O-CB 3.46Å; N69-L73 PolarHBondContact O-N 2.88Å; N69-L73 VanDerWaalsContact O-N 3.14Å
70R95.2Very high94.1Very high57 Ų5723.2 Ų23.222%0.21513%0.131CC..Hα-helixtrans-71.2-41.8-178.5-68.9167.364.8176.64.8112.3D66 F67 F68 L73 I74 C185 H188D66-R70 WeakPolarHBondContact O-CB 3.27Å; D66-R70 VanDerWaalsContact O-CG 3.32Å; D66-R70 WeakPolarHBondContact O-CG 3.44Å; D66-R70 PolarHBondContact O-N 2.78Å; D66-R70 WeakPolarHBondContact OD2-CD 3.42Å; D66-R70 IonicContact OD2-CZ 3.09Å; D66-R70 IonicContact OD2-NE 3.64Å; D66-R70 IonicContact OD2-NH1 2.75Å; D66-R70 PolarHBondContact OD2-NH1 3.13Å; F67-R70 PolarHBondContact O-N 3.22Å; F68-R70 PolarHBondContact O-N 3.22Å; R70-L73 WeakPolarHBondContact O-CB 3.36Å; R70-L73 PolarHBondContact O-N 3.05Å; R70-I74 WeakPolarHBondContact O-CG1 3.26Å; R70-I74 PolarHBondContact O-N 2.95Å; R70-C185 PolarHBondContact NE-SG 3.33Å; R70-H188 PolarHBondContact NH1-ND1 2.89Å
71I96.3Very high93.9Very high1 Ų125 Ų251%0.00514%0.143CC..Hα-helixtrans-70.7-38179.2-65.6169.1000110.6F67 F68 L73 I74 Y75 M122 L158 V161 F162 F189F67-I71 HydrophobicContact CB-CD1 4.14Å; F67-I71 WeakPolarHBondContact O-CB 3.46Å; F67-I71 WeakPolarHBondContact O-CD1 3.35Å; F67-I71 WeakPolarHBondContact O-CG1 3.5Å; F67-I71 PolarHBondContact O-N 3.17Å; F68-I71 PolarHBondContact O-N 3.48Å; I71-L73 VanDerWaalsContact C-N 3.28Å; I71-L73 PolarHBondContact O-N 3.37Å; I71-I74 PolarHBondContact O-N 2.83Å; I71-Y75 PolarHBondContact O-N 2.85Å; I71-M122 HydrophobicContact CG2-CE 4.3Å; I71-L158 HydrophobicContact CB-CD2 4.22Å; I71-L158 HydrophobicContact CD1-CB 3.78Å; I71-L158 HydrophobicContact CD1-CD1 4.21Å; I71-L158 HydrophobicContact CD1-CD2 4.1Å; I71-L158 HydrophobicContact CD1-CG 4.24Å; I71-L158 HydrophobicContact CG2-CD2 4.06Å; I71-V161 HydrophobicContact CG2-CB 3.62Å; I71-V161 HydrophobicContact CG2-CG1 3.61Å; I71-V161 HydrophobicContact CG2-CG2 4.01Å; I71-F162 HydrophobicContact CD1-CD2 4.15Å; I71-F162 HydrophobicContact CD1-CE2 3.36Å; I71-F162 HydrophobicContact CD1-CZ 3.79Å; I71-F162 HydrophobicContact CG1-CE1 4.39Å; I71-F162 HydrophobicContact CG1-CE2 3.74Å; I71-F162 HydrophobicContact CG1-CZ 3.62Å; I71-F189 HydrophobicContact CD1-CD2 4.09Å; I71-F189 HydrophobicContact CD1-CE2 4.32Å
72N92.9Very high93.9Very high56 Ų5625 Ų2530%0.29914%0.144SC..Hα-helixtrans-60.6-40.2173.2-170.437.3000111.4F68 Y75 G76 M122F68-N72 WeakPolarHBondContact O-CB 3.47Å; F68-N72 PolarHBondContact O-N 3.27Å; N72-Y75 PolarHBondContact O-N 2.89Å; N72-G76 PolarHBondContact O-N 3.09Å; N72-M122 HydrophobicContact CB-CE 4.41Å; N72-M122 HydrophobicContact CB-SD 4.22Å
73L91.5Very high94.1Very high53 Ų5327 Ų2728%0.27716%0.156SC..Hα-helixtrans-64.6-42.7174.2-175.162.3000112.4F9 F15 N69 R70 I71 G76 T77F9-L73 HydrophobicContact CD1-CD1 4.14Å; F9-L73 HydrophobicContact CE1-CD1 3.93Å; F9-L73 HydrophobicContact CE1-CD2 3.93Å; F9-L73 HydrophobicContact CE1-CG 4.16Å; F15-L73 HydrophobicContact CD2-CD1 4.37Å; F15-L73 HydrophobicContact CE2-CD1 4.5Å; N69-L73 WeakPolarHBondContact O-CB 3.46Å; N69-L73 PolarHBondContact O-N 2.88Å; N69-L73 VanDerWaalsContact O-N 3.14Å; R70-L73 WeakPolarHBondContact O-CB 3.36Å; R70-L73 PolarHBondContact O-N 3.05Å; I71-L73 VanDerWaalsContact C-N 3.28Å; I71-L73 PolarHBondContact O-N 3.37Å; L73-G76 PolarHBondContact O-N 3.48Å; L73-T77 VanDerWaalsContact O-CG2 3.25Å; L73-T77 WeakPolarHBondContact O-CG2 3.42Å; L73-T77 PolarHBondContact O-N 3.19Å
74I92.4Very high94Very high16 Ų1631.2 Ų31.28%0.08218%0.179CC..Hα-helixtrans-59.5-46.5174.8-69.5167000110.5R70 I71 G76 T77 F162 V165 V182 C185R70-I74 WeakPolarHBondContact O-CG1 3.26Å; R70-I74 PolarHBondContact O-N 2.95Å; I71-I74 PolarHBondContact O-N 2.83Å; I74-G76 VanDerWaalsContact C-N 3.31Å; I74-G76 PolarHBondContact O-N 2.89Å; I74-T77 PolarHBondContact O-N 3.36Å; I74-T77 PolarHBondContact O-OG1 2.68Å; I74-F162 HydrophobicContact CD1-CE1 4.11Å; I74-V165 HydrophobicContact CG2-CG1 4.19Å; I74-V165 HydrophobicContact CG2-CG2 4.31Å; I74-V182 HydrophobicContact CD1-CG1 4.46Å; I74-V182 HydrophobicContact CD1-CG2 4.24Å; I74-V182 HydrophobicContact CG1-CG2 4.11Å; I74-V182 HydrophobicContact CG2-CG1 4.34Å; I74-V182 HydrophobicContact CG2-CG2 3.87Å; I74-C185 HydrophobicContact CD1-CB 3.8Å
75Y93.8Very high94Very high24 Ų2438.8 Ų38.89%0.09421%0.214CC..Hα-helixtrans-63.6-39.1177.7-179.9-104.9000112I71 N72 T77 I78 S79 P115 M118 V161I71-Y75 PolarHBondContact O-N 2.85Å; N72-Y75 PolarHBondContact O-N 2.89Å; Y75-T77 PolarHBondContact O-N 2.96Å; Y75-T77 VanDerWaalsContact O-N 3.12Å; Y75-I78 HydrophobicContact CD2-CD1 3.51Å; Y75-I78 HydrophobicContact CD2-CG1 4.37Å; Y75-I78 HydrophobicContact CE2-CD1 3.51Å; Y75-I78 HydrophobicContact CG-CD1 4.44Å; Y75-I78 WeakPolarHBondContact O-CG1 3.36Å; Y75-I78 PolarHBondContact O-N 3.5Å; Y75-S79 PolarHBondContact O-N 3Å; Y75-P115 WeakPolarHBondContact OH-CA 3.43Å; Y75-M118 HydrophobicContact CD1-CB 4.42Å; Y75-M118 HydrophobicContact CD2-CB 4.42Å; Y75-M118 HydrophobicContact CD2-CE 4.4Å; Y75-M118 HydrophobicContact CD2-CG 4.07Å; Y75-M118 HydrophobicContact CD2-SD 4.43Å; Y75-M118 HydrophobicContact CE1-CB 3.8Å; Y75-M118 HydrophobicContact CE1-CG 4.41Å; Y75-M118 HydrophobicContact CE2-CB 3.82Å; Y75-M118 HydrophobicContact CE2-CE 4.33Å; Y75-M118 HydrophobicContact CE2-CG 3.49Å; Y75-M118 VanDerWaalsContact CE2-CG 3.49Å; Y75-M118 HydrophobicContact CE2-SD 4.39Å; Y75-M118 VanDerWaalsContact CZ-CB 3.47Å; Y75-V161 HydrophobicContact CD2-CG1 4.42Å
76G91.8Very high94.1Very high37 Ų3742.6 Ų42.638%0.38124%0.237SC..Hα-helixtrans-60.3-19.9176.300000114.5N72 L73 I74 S79N72-G76 PolarHBondContact O-N 3.09Å; L73-G76 PolarHBondContact O-N 3.48Å; I74-G76 VanDerWaalsContact C-N 3.31Å; I74-G76 PolarHBondContact O-N 2.89Å; G76-S79 PolarHBondContact O-OG 3.47Å
77T89.3Confident94.3Very high14 Ų1442 Ų429%0.08624%0.235CC..Hα-helixtrans-78.7-21.1176.376.40000113.4V8 L73 I74 Y75 M176V8-T77 HydrophobicContact CG1-CG2 3.74Å; L73-T77 VanDerWaalsContact O-CG2 3.25Å; L73-T77 WeakPolarHBondContact O-CG2 3.42Å; L73-T77 PolarHBondContact O-N 3.19Å; I74-T77 PolarHBondContact O-N 3.36Å; I74-T77 PolarHBondContact O-OG1 2.68Å; Y75-T77 PolarHBondContact O-N 2.96Å; Y75-T77 VanDerWaalsContact O-N 3.12Å; T77-M176 HydrophobicContact CG2-CE 4.47Å
78I92.3Very high94.3Very high0 Ų046 Ų460%026%0.261CS..Hα-helixtrans-114.3-7-177.662.774.2000113.3Y75 D80 S81 C82 V165 H169 R172 V173Y75-I78 HydrophobicContact CD2-CD1 3.51Å; Y75-I78 HydrophobicContact CD2-CG1 4.37Å; Y75-I78 HydrophobicContact CE2-CD1 3.51Å; Y75-I78 HydrophobicContact CG-CD1 4.44Å; Y75-I78 WeakPolarHBondContact O-CG1 3.36Å; Y75-I78 PolarHBondContact O-N 3.5Å; I78-D80 PolarHBondContact O-N 3.31Å; I78-D80 VanDerWaalsContact O-N 3.14Å; I78-S81 PolarHBondContact O-N 2.78Å; I78-S81 PolarHBondContact O-OG 3.24Å; I78-C82 HydrophobicContact CD1-CB 3.93Å; I78-C82 PolarHBondContact O-N 3.2Å; I78-C82 VanDerWaalsContact O-N 3.09Å; I78-V165 HydrophobicContact CG1-CG2 4.26Å; I78-H169 HydrophobicContact CB-CB 4.09Å; I78-H169 HydrophobicContact CG1-CB 4.21Å; I78-H169 HydrophobicContact CG2-CB 4.06Å; I78-R172 HydrophobicContact CG2-CB 4.27Å; I78-R172 HydrophobicContact CG2-CG 3.95Å; I78-V173 HydrophobicContact CG2-CG2 3.93Å
79S92.7Very high94.3Very high55 Ų5548.1 Ų48.139%0.38527%0.274SS..THydrogen-bonded Turntrans-62.7-22.3-172.159.60000114.4Y75 G76 S81Y75-S79 PolarHBondContact O-N 3Å; G76-S79 PolarHBondContact O-OG 3.47Å; S79-S81 VanDerWaalsContact C-N 3.31Å
80D90.4Very high94.6Very high101 Ų10146.5 Ų46.554%0.5427%0.265SS..THydrogen-bonded Turntrans-69.8-28.9173.662.3-23.3000112.7I78 R172I78-D80 PolarHBondContact O-N 3.31Å; I78-D80 VanDerWaalsContact O-N 3.14Å; D80-R172 IonicContact OD2-NH2 3.77Å; D80-R172 PolarHBondContact OD2-NH2 3.47Å
81S92.8Very high94.7Very high37 Ų3744.8 Ų44.826%0.25926%0.263SS..THydrogen-bonded Turntrans-100.4-15.2-179.269.20000114.4I78 S79 T83 T86I78-S81 PolarHBondContact O-N 2.78Å; I78-S81 PolarHBondContact O-OG 3.24Å; S79-S81 VanDerWaalsContact C-N 3.31Å; S81-T83 PolarHBondContact O-N 3.02Å; S81-T86 PolarHBondContact O-OG1 2.97Å
82C96.6Very high94.4Very high3 Ų345 Ų452%0.0226%0.264CS..  trans-87.498.9174.2-169.10000109.8I78 P115 H164 H169I78-C82 HydrophobicContact CD1-CB 3.93Å; I78-C82 PolarHBondContact O-N 3.2Å; I78-C82 VanDerWaalsContact O-N 3.09Å; C82-P115 WeakPolarHBondContact O-CB 3.49Å; C82-H164 PolarHBondContact SG-NE2 2.89Å; C82-H169 PolarHBondContact SG-NE2 2.66Å
83T96.9Very high94.2Very high43 Ų4342.7 Ų42.726%0.26425%0.254SS..  trans-124.3168.8-174.674.70000111.1S81 Q85 T86 C87S81-T83 PolarHBondContact O-N 3.02Å; T83-Q85 PolarHBondContact O-N 3.29Å; T83-Q85 PolarHBondContact OG1-N 3.41Å; T83-Q85 PolarHBondContact OG1-OE1 2.98Å; T83-T86 PolarHBondContact N-OG1 3.16Å; T83-T86 PolarHBondContact O-N 2.83Å; T83-T86 PolarHBondContact O-OG1 2.93Å; T83-T86 PolarHBondContact OG1-N 3.02Å; T83-T86 PolarHBondContact OG1-OG1 2.87Å; T83-C87 CarbonylContact O-C 3.54Å; T83-C87 WeakPolarHBondContact O-CA 3.44Å; T83-C87 PolarHBondContact O-N 3.11Å
84D97Very high94Very high90 Ų9047 Ų4748%0.48129%0.285SS..THydrogen-bonded Turntrans-62.6-22.1175.4-68.7-14.9000112.2P88 S113 P115D84-P88 VanDerWaalsContact O-CA 3.22Å; D84-P88 WeakPolarHBondContact O-CA 3.39Å; D84-P88 WeakPolarHBondContact O-CB 3.24Å; D84-S113 WeakPolarHBondContact OD1-CB 3.45Å; D84-S113 PolarHBondContact OD1-OG 3.24Å; D84-P115 WeakPolarHBondContact OD1-CG 3.34Å
85Q97Very high93.9Very high159 Ų15954.7 Ų54.774%0.74332%0.318SS*.THydrogen-bonded Turntrans-84.4-43.7176.8-62.773.632.200111.9T83T83-Q85 PolarHBondContact O-N 3.29Å; T83-Q85 PolarHBondContact OG1-N 3.41Å; T83-Q85 PolarHBondContact OG1-OE1 2.98Å
86T96.7Very high93.9Very high85 Ų8557.3 Ų57.352%0.52133%0.328SS..THydrogen-bonded Turntrans-77.9-30.8-179.257.30000112S81 T83S81-T86 PolarHBondContact O-OG1 2.97Å; T83-T86 PolarHBondContact N-OG1 3.16Å; T83-T86 PolarHBondContact O-N 2.83Å; T83-T86 PolarHBondContact O-OG1 2.93Å; T83-T86 PolarHBondContact OG1-N 3.02Å; T83-T86 PolarHBondContact OG1-OG1 2.87Å
87C97.8Very high94.1Very high8 Ų860 Ų605%0.05433%0.331CS..  trans-136.166.5-176.6-62.80000111.1T83 V89 S113 A114 H169T83-C87 CarbonylContact O-C 3.54Å; T83-C87 WeakPolarHBondContact O-CA 3.44Å; T83-C87 PolarHBondContact O-N 3.11Å; C87-V89 PolarHBondContact O-N 2.91Å; C87-V89 VanDerWaalsContact O-N 3.1Å; C87-S113 WeakPolarHBondContact O-CA 3.36Å; C87-S113 WeakPolarHBondContact O-CB 3.31Å; C87-A114 HydrophobicContact CB-CB 3.51Å; C87-A114 PolarHBondContact O-N 3.44Å; C87-H169 PolarHBondContact SG-NE2 3.28Å; C87-H169 VanDerWaalsContact SG-NE2 3.41Å
88P97.8Very high94.5Very high84 Ų8460.2 Ų60.255%0.54533%0.331SS..SBendtrans-64.8-17.2-176.327.2-36.2000113.5D84 S113D84-P88 VanDerWaalsContact O-CA 3.22Å; D84-P88 WeakPolarHBondContact O-CA 3.39Å; D84-P88 WeakPolarHBondContact O-CB 3.24Å; P88-S113 VanDerWaalsContact O-CA 3.23Å; P88-S113 WeakPolarHBondContact O-CA 3.35Å; P88-S113 PolarHBondContact O-N 3.36Å
89V97.6Very high94.8Very high53 Ų5366.2 Ų66.232%0.32135%0.353SS..SBendtrans-136.1133176.7-177.90000109.7C87 S91 E97 L112C87-V89 PolarHBondContact O-N 2.91Å; C87-V89 VanDerWaalsContact O-N 3.1Å; V89-S91 PolarHBondContact O-N 3.14Å; V89-S91 VanDerWaalsContact O-N 3.17Å; V89-S91 PolarHBondContact O-OG 3.23Å; V89-E97 HydrophobicContact CG1-CG 3.6Å; V89-L112 CarbonylContact C-O 3.52Å; V89-L112 WeakPolarHBondContact CA-O 3.32Å
90M98.1Very high95Very high0 Ų063.9 Ų63.90%034%0.336CS..  trans-66.3111.1170.6-178.162.5-171.900110.2Y98 L112 A114 Y117 M118 R160 H164M90-Y98 HydrophobicContact CE-CD2 3.97Å; M90-Y98 HydrophobicContact CE-CE2 4.49Å; M90-Y98 HydrophobicContact CG-CD2 4.05Å; M90-Y98 HydrophobicContact CG-CG 4.42Å; M90-Y98 PolarHBondContact O-N 3.49Å; M90-L112 PolarHBondContact N-O 3.03Å; M90-A114 HydrophobicContact CB-CB 4.42Å; M90-A114 HydrophobicContact SD-CB 3.84Å; M90-Y117 HydrophobicContact CB-CD1 4.36Å; M90-Y117 HydrophobicContact CB-CD2 3.96Å; M90-Y117 HydrophobicContact CB-CG 3.78Å; M90-Y117 HydrophobicContact CE-CD1 4.12Å; M90-Y117 HydrophobicContact CE-CE1 4.18Å; M90-Y117 HydrophobicContact CG-CD1 3.59Å; M90-Y117 HydrophobicContact CG-CD2 3.88Å; M90-Y117 HydrophobicContact CG-CE1 4.05Å; M90-Y117 HydrophobicContact CG-CE2 4.32Å; M90-Y117 HydrophobicContact CG-CG 3.52Å; M90-Y117 HydrophobicContact SD-CD1 4.01Å; M90-Y117 HydrophobicContact SD-CG 4.34Å; M90-M118 HydrophobicContact CE-CE 3.37Å; M90-M118 HydrophobicContact CE-SD 4.1Å; M90-M118 HydrophobicContact SD-CE 3.64Å; M90-M118 HydrophobicContact SD-SD 4.35Å; M90-R160 HydrophobicContact CE-CB 4.08Å; M90-R160 WeakPolarHBondContact CE-O 3.36Å; M90-H164 HydrophobicContact CE-CB 3.77Å; M90-H164 HydrophobicContact SD-CB 4.27Å
91S96.3Very high95.2Very high22 Ų2263.6 Ų63.615%0.15433%0.331CS..BIsolated β-bridgetrans-142.8162.5-174.456.30000112.6V89 Y96 H164 H168V89-S91 PolarHBondContact O-N 3.14Å; V89-S91 VanDerWaalsContact O-N 3.17Å; V89-S91 PolarHBondContact O-OG 3.23Å; S91-Y96 CarbonylContact C-O 3.59Å; S91-Y96 WeakPolarHBondContact CA-O 3.3Å; S91-Y96 WeakPolarHBondContact CB-O 3.38Å; S91-H164 PolarHBondContact O-ND1 3.5Å; S91-H168 PolarHBondContact O-NE2 3.42Å; S91-H168 PolarHBondContact OG-NE2 2.75Å
92G91.1Very high95.2Very high4 Ų463.4 Ų63.44%0.04133%0.327CS..SBendtrans-111.863.7166.500000109.9Y96 V163 I167G92-Y96 PolarHBondContact N-O 2.83Å; G92-Y96 WeakPolarHBondContact O-CD2 3.49Å; G92-V163 VanDerWaalsContact CA-CG1 3.44Å; G92-I167 WeakPolarHBondContact O-CD1 3.48Å
93G88Confident94.8Very high9 Ų971.6 Ų71.69%0.09337%0.365CS..SBendtrans72.3-167.3-170.700000112.7K95 H168G93-K95 PolarHBondContact O-N 3.35Å; G93-H168 PolarHBondContact N-NE2 3.45Å
94P87.6Confident94.5Very high143 Ų14377.1 Ų77.193%0.92939%0.388SS*.THydrogen-bonded Turntrans-70.8-15.8-170.527.5-35000114.1
95K90.6Very high94.3Very high178 Ų17880.2 Ų80.277%0.77440%0.397SS*.THydrogen-bonded Turntrans-90.7-24.4-174.4-67.3-176.5-179.4177.50113.9G93G93-K95 PolarHBondContact O-N 3.35Å
96Y93.9Very high94.1Very high78 Ų7874 Ų7431%0.30637%0.367SS..  trans-128.1118.3-169.2-59-77.2000110.7S91 G92 E205 P206S91-Y96 CarbonylContact C-O 3.59Å; S91-Y96 WeakPolarHBondContact CA-O 3.3Å; S91-Y96 WeakPolarHBondContact CB-O 3.38Å; G92-Y96 PolarHBondContact N-O 2.83Å; G92-Y96 WeakPolarHBondContact O-CD2 3.49Å; Y96-E205 WeakPolarHBondContact OH-CG 3.4Å; Y96-P206 HydrophobicContact CD1-CG 4.05Å; Y96-P206 HydrophobicContact CD2-CB 3.82Å; Y96-P206 HydrophobicContact CD2-CG 3.78Å; Y96-P206 HydrophobicContact CE1-CG 4.04Å; Y96-P206 HydrophobicContact CE2-CB 3.82Å; Y96-P206 HydrophobicContact CE2-CG 3.76Å; Y96-P206 HydrophobicContact CG-CB 4.4Å; Y96-P206 HydrophobicContact CG-CG 3.92Å
97E96.8Very high94Very high93 Ų9377.3 Ų77.344%0.43537%0.374SS..BIsolated β-bridgetrans-111.5129.8172.8-172.4-174124.400109.7V89 R99V89-E97 HydrophobicContact CG1-CG 3.6Å; E97-R99 IonicContact OE1-CZ 3.03Å; E97-R99 IonicContact OE1-NE 3.08Å; E97-R99 PolarHBondContact OE1-NE 2.92Å; E97-R99 IonicContact OE1-NH2 3.8Å; E97-R99 PolarHBondContact OE1-NH2 3.28Å; E97-R99 IonicContact OE2-NH2 3.91Å
98Y97.3Very high93.9Very high20 Ų2086.6 Ų86.68%0.07841%0.408CS..  trans-104.3116.7178.3-55.4-71.6000110.8M90 R160 V163M90-Y98 HydrophobicContact CE-CD2 3.97Å; M90-Y98 HydrophobicContact CE-CE2 4.49Å; M90-Y98 HydrophobicContact CG-CD2 4.05Å; M90-Y98 HydrophobicContact CG-CG 4.42Å; M90-Y98 PolarHBondContact O-N 3.49Å; Y98-R160 HydrophobicContact CD1-CG 3.9Å; Y98-R160 HydrophobicContact CD2-CB 4.48Å; Y98-R160 HydrophobicContact CE1-CB 4.49Å; Y98-R160 HydrophobicContact CE1-CG 3.71Å; Y98-R160 HydrophobicContact CE2-CB 4.35Å; Y98-R160 HydrophobicContact CE2-CG 4.42Å; Y98-R160 HydrophobicContact CG-CG 4.33Å; Y98-V163 HydrophobicContact CE2-CG1 4.44Å
99R97.4Very high93.9Very high126 Ų12686.1 Ų86.148%0.47541%0.405SS..  trans-98.2140.8177.4-64.9-176.9176.2-131.3-6.1111E97 P109 T110E97-R99 IonicContact OE1-CZ 3.03Å; E97-R99 IonicContact OE1-NE 3.08Å; E97-R99 PolarHBondContact OE1-NE 2.92Å; E97-R99 IonicContact OE1-NH2 3.8Å; E97-R99 PolarHBondContact OE1-NH2 3.28Å; E97-R99 IonicContact OE2-NH2 3.91Å; R99-P109 HydrophobicContact CB-CB 3.98Å; R99-T110 WeakPolarHBondContact CA-O 3.44Å
100W97.4Very high93.9Very high5 Ų585.8 Ų85.82%0.01940%0.403CS..BIsolated β-bridgetrans-90.6142.6177.5-172.9-99.4000111D102 Y106 T110 L112 Y117 L120 L121 W124W100-D102 PolarHBondContact NE1-OD2 3.43Å; W100-Y106 AromaticContact CD1-CD2 3.45Å; W100-Y106 VanDerWaalsContact CD1-CD2 3.45Å; W100-Y106 AromaticContact CD1-CG 3.82Å; W100-Y106 AromaticContact NE1-CD2 3.89Å; W100-T110 PolarHBondContact N-O 2.88Å; W100-T110 PolarHBondContact O-N 3.23Å; W100-L112 HydrophobicContact CB-CD1 3.53Å; W100-L112 HydrophobicContact CB-CG 4.29Å; W100-L112 HydrophobicContact CG-CD1 4.02Å; W100-Y117 HydrophobicContact CB-CD2 3.92Å; W100-Y117 HydrophobicContact CB-CE2 4.07Å; W100-Y117 HydrophobicContact CE3-CD2 4.12Å; W100-Y117 HydrophobicContact CE3-CE1 4.41Å; W100-Y117 AromaticContact CE3-CE2 3.79Å; W100-Y117 HydrophobicContact CE3-CE2 3.79Å; W100-Y117 AromaticContact CE3-CZ 3.93Å; W100-L120 HydrophobicContact CD2-CB 4.17Å; W100-L120 HydrophobicContact CD2-CD1 4.43Å; W100-L120 HydrophobicContact CG-CD1 4.17Å; W100-L120 HydrophobicContact CH2-CB 4.21Å; W100-L120 WeakPolarHBondContact CH2-O 3.16Å; W100-L120 HydrophobicContact CZ2-CB 3.84Å; W100-L121 HydrophobicContact CH2-CB 4.31Å; W100-L121 HydrophobicContact CZ3-CB 3.86Å; W100-L121 HydrophobicContact CZ3-CG 4.47Å; W100-W124 HydrophobicContact CH2-CB 3.89Å; W100-W124 HydrophobicContact CH2-CG 4.27Å; W100-W124 HydrophobicContact CZ2-CB 4.18Å
101Q94.8Very high93.9Very high95 Ų9587.9 Ų87.944%0.44442%0.421SS..  trans-147.2136.5171.5-171.8-177.3-3.400109.1Y106 K107Q101-Y106 VanDerWaalsContact CA-O 3.32Å; Q101-Y106 WeakPolarHBondContact CA-O 3.39Å; Q101-Y106 WeakPolarHBondContact CG-O 3.48Å; Q101-K107 PolarHBondContact NE2-O 2.97Å; Q101-K107 VanDerWaalsContact NE2-O 3.17Å
102D92.1Very high93.9Very high33 Ų3387.9 Ų87.918%0.17642%0.419CS..  trans-142.9174.3171.462.151000111W100 H104 K105 Y106 K107W100-D102 PolarHBondContact NE1-OD2 3.43Å; D102-H104 VanDerWaalsContact C-N 3.29Å; D102-H104 PolarHBondContact OD1-N 2.87Å; D102-K105 PolarHBondContact OD1-N 3.31Å; D102-Y106 PolarHBondContact N-O 2.89Å; D102-Y106 CarbonylContact O-C 3.59Å; D102-Y106 PolarHBondContact OD1-N 3.32Å; D102-Y106 WeakPolarHBondContact OD2-CD2 3.45Å; D102-K107 WeakPolarHBondContact O-CA 3.37Å
103E89.3Confident94.3Very high175 Ų17588.4 Ų88.482%0.81842%0.422SS*.SBendtrans-83.4-7.2-176.6-62.8-178.6178.900113
104H89.3Confident94.8Very high159 Ų15988 Ų8874%0.73642%0.418SS*.SBendtrans-107.1-77.9-170.9-56.1-58.5000111.5D102D102-H104 VanDerWaalsContact C-N 3.29Å; D102-H104 PolarHBondContact OD1-N 2.87Å
105K92.7Very high95.2Very high155 Ų15582.4 Ų82.467%0.67438%0.381SS*.SBendtrans-93.1-38.9-170.6-177.4172.3177.91730111.9D102D102-K105 PolarHBondContact OD1-N 3.31Å
106Y93.9Very high95.5Very high29 Ų2978 Ų7811%0.11436%0.362CS..  trans-112.470.9-174.6-59.8-78.8000110.7W100 Q101 D102 R108 T110 L112 L120W100-Y106 AromaticContact CD1-CD2 3.45Å; W100-Y106 VanDerWaalsContact CD1-CD2 3.45Å; W100-Y106 AromaticContact CD1-CG 3.82Å; W100-Y106 AromaticContact NE1-CD2 3.89Å; Q101-Y106 VanDerWaalsContact CA-O 3.32Å; Q101-Y106 WeakPolarHBondContact CA-O 3.39Å; Q101-Y106 WeakPolarHBondContact CG-O 3.48Å; D102-Y106 PolarHBondContact N-O 2.89Å; D102-Y106 CarbonylContact O-C 3.59Å; D102-Y106 PolarHBondContact OD1-N 3.32Å; D102-Y106 WeakPolarHBondContact OD2-CD2 3.45Å; Y106-R108 PolarHBondContact O-N 3.49Å; Y106-R108 VanDerWaalsContact O-N 3.13Å; Y106-T110 HydrophobicContact CD1-CG2 3.9Å; Y106-T110 HydrophobicContact CE1-CG2 4.22Å; Y106-L112 HydrophobicContact CE1-CD1 4.35Å; Y106-L112 HydrophobicContact CE1-CD2 3.76Å; Y106-L112 HydrophobicContact CE2-CD1 4.34Å; Y106-L120 HydrophobicContact CD2-CD1 4.18Å; Y106-L120 HydrophobicContact CE2-CD1 3.53Å; Y106-L120 HydrophobicContact CE2-CD2 4.47Å
107K94.2Very high95.8Very high154 Ų15474.3 Ų74.367%0.6735%0.347SS*.  trans-65-16.7-175-62.5-174.2178.3-177.20114.6Q101 D102Q101-K107 PolarHBondContact NE2-O 2.97Å; Q101-K107 VanDerWaalsContact NE2-O 3.17Å; D102-K107 WeakPolarHBondContact O-CA 3.37Å
108R96.1Very high95.8Very high203 Ų20369.9 Ų69.977%0.76633%0.327SS*.SBendtrans-125.8153.3177.1-62.4-179.1-176.4177.80.8109.6Y106 T110Y106-R108 PolarHBondContact O-N 3.49Å; Y106-R108 VanDerWaalsContact O-N 3.13Å; R108-T110 PolarHBondContact O-N 3.04Å; R108-T110 PolarHBondContact O-OG1 3.33Å
109P97.3Very high95.7Very high74 Ų7471.2 Ų71.248%0.48134%0.339SS..  trans-52.3109174-26.835000111.8R99R99-P109 HydrophobicContact CB-CB 3.98Å
110T97.8Very high95.6Very high47 Ų4766.8 Ų66.829%0.28833%0.325SS..BIsolated β-bridgetrans-115130.7-172.6-57.70000109.8R99 W100 Y106 R108 L112R99-T110 WeakPolarHBondContact CA-O 3.44Å; W100-T110 PolarHBondContact N-O 2.88Å; W100-T110 PolarHBondContact O-N 3.23Å; Y106-T110 HydrophobicContact CD1-CG2 3.9Å; Y106-T110 HydrophobicContact CE1-CG2 4.22Å; R108-T110 PolarHBondContact O-N 3.04Å; R108-T110 PolarHBondContact O-OG1 3.33Å; T110-L112 HydrophobicContact CG2-CD2 4.18Å
111A97.4Very high95.5Very high44 Ų4466.5 Ų66.536%0.36432%0.324SS..  trans-70.2130.217100000109.3
112L97.9Very high95.5Very high21 Ų2162.6 Ų62.611%0.1131%0.306CS..  trans-132155.9177.9-64.5179.6000109V89 M90 W100 Y106 T110 K116 L120V89-L112 CarbonylContact C-O 3.52Å; V89-L112 WeakPolarHBondContact CA-O 3.32Å; M90-L112 PolarHBondContact N-O 3.03Å; W100-L112 HydrophobicContact CB-CD1 3.53Å; W100-L112 HydrophobicContact CB-CG 4.29Å; W100-L112 HydrophobicContact CG-CD1 4.02Å; Y106-L112 HydrophobicContact CE1-CD1 4.35Å; Y106-L112 HydrophobicContact CE1-CD2 3.76Å; Y106-L112 HydrophobicContact CE2-CD1 4.34Å; T110-L112 HydrophobicContact CG2-CD2 4.18Å; L112-K116 HydrophobicContact CD1-CG 4.32Å; L112-L120 HydrophobicContact CD1-CD1 3.49Å; L112-L120 VanDerWaalsContact CD1-CD1 3.49Å
113S98.4Very high95.6Very high16 Ų1665.1 Ų65.111%0.11232%0.319CS..  trans-59.3151.8166.567.30000110.9D84 C87 P88 K116 Y117D84-S113 WeakPolarHBondContact OD1-CB 3.45Å; D84-S113 PolarHBondContact OD1-OG 3.24Å; C87-S113 WeakPolarHBondContact O-CA 3.36Å; C87-S113 WeakPolarHBondContact O-CB 3.31Å; P88-S113 VanDerWaalsContact O-CA 3.23Å; P88-S113 WeakPolarHBondContact O-CA 3.35Å; P88-S113 PolarHBondContact O-N 3.36Å; S113-K116 PolarHBondContact O-N 3.48Å; S113-K116 VanDerWaalsContact OG-CB 3.27Å; S113-K116 WeakPolarHBondContact OG-CB 3.49Å; S113-K116 PolarHBondContact OG-N 3.12Å; S113-Y117 WeakPolarHBondContact O-CB 3.34Å; S113-Y117 PolarHBondContact O-N 2.88Å
114A98.3Very high95.9Very high0 Ų059.2 Ų59.20%029%0.289CS..Hα-helixtrans-55.7-50.4178.200000112.5C87 M90 K116 Y117 M118 H164C87-A114 HydrophobicContact CB-CB 3.51Å; C87-A114 PolarHBondContact O-N 3.44Å; M90-A114 HydrophobicContact CB-CB 4.42Å; M90-A114 HydrophobicContact SD-CB 3.84Å; A114-K116 VanDerWaalsContact C-N 3.27Å; A114-K116 PolarHBondContact O-N 3.23Å; A114-Y117 PolarHBondContact O-N 3.1Å; A114-Y117 VanDerWaalsContact O-N 3.16Å; A114-M118 WeakPolarHBondContact O-CG 3.43Å; A114-M118 PolarHBondContact O-N 2.97Å; A114-H164 WeakPolarHBondContact CB-CE1 3.34Å; A114-H164 WeakPolarHBondContact CB-NE2 3.47Å
115P97.5Very high96.2Very high25 Ų2551.6 Ų51.616%0.16225%0.254CS..Hα-helixtrans-62.4-35.3-179.325.1-36.1000112.8Y75 C82 D84 S119Y75-P115 WeakPolarHBondContact OH-CA 3.43Å; C82-P115 WeakPolarHBondContact O-CB 3.49Å; D84-P115 WeakPolarHBondContact OD1-CG 3.34Å; P115-S119 PolarHBondContact O-N 3.33Å
116K96.9Very high96.2Very high85 Ų8546.6 Ų46.637%0.3723%0.233SC..Hα-helixtrans-68.3-43.3176.3-173.460.6-178.4171.20112.1L112 S113 A114 L120L112-K116 HydrophobicContact CD1-CG 4.32Å; S113-K116 PolarHBondContact O-N 3.48Å; S113-K116 VanDerWaalsContact OG-CB 3.27Å; S113-K116 WeakPolarHBondContact OG-CB 3.49Å; S113-K116 PolarHBondContact OG-N 3.12Å; A114-K116 VanDerWaalsContact C-N 3.27Å; A114-K116 PolarHBondContact O-N 3.23Å; K116-L120 HydrophobicContact CG-CD1 4.38Å; K116-L120 WeakPolarHBondContact O-CG 3.18Å; K116-L120 PolarHBondContact O-N 2.88Å
117Y98.2Very high96.2Very high1 Ų149.6 Ų49.60%0.00425%0.254CS..Hα-helixtrans-60.5-45.8175.7-176.5-77000110.9M90 W100 S113 A114 L120 L121 R160M90-Y117 HydrophobicContact CB-CD1 4.36Å; M90-Y117 HydrophobicContact CB-CD2 3.96Å; M90-Y117 HydrophobicContact CB-CG 3.78Å; M90-Y117 HydrophobicContact CE-CD1 4.12Å; M90-Y117 HydrophobicContact CE-CE1 4.18Å; M90-Y117 HydrophobicContact CG-CD1 3.59Å; M90-Y117 HydrophobicContact CG-CD2 3.88Å; M90-Y117 HydrophobicContact CG-CE1 4.05Å; M90-Y117 HydrophobicContact CG-CE2 4.32Å; M90-Y117 HydrophobicContact CG-CG 3.52Å; M90-Y117 HydrophobicContact SD-CD1 4.01Å; M90-Y117 HydrophobicContact SD-CG 4.34Å; W100-Y117 HydrophobicContact CB-CD2 3.92Å; W100-Y117 HydrophobicContact CB-CE2 4.07Å; W100-Y117 HydrophobicContact CE3-CD2 4.12Å; W100-Y117 HydrophobicContact CE3-CE1 4.41Å; W100-Y117 AromaticContact CE3-CE2 3.79Å; W100-Y117 HydrophobicContact CE3-CE2 3.79Å; W100-Y117 AromaticContact CE3-CZ 3.93Å; S113-Y117 WeakPolarHBondContact O-CB 3.34Å; S113-Y117 PolarHBondContact O-N 2.88Å; A114-Y117 PolarHBondContact O-N 3.1Å; A114-Y117 VanDerWaalsContact O-N 3.16Å; Y117-L120 PolarHBondContact O-N 3.29Å; Y117-L121 HydrophobicContact CD1-CB 4.43Å; Y117-L121 HydrophobicContact CD1-CD1 4.23Å; Y117-L121 HydrophobicContact CE1-CB 4.34Å; Y117-L121 HydrophobicContact CE1-CD1 3.5Å; Y117-L121 VanDerWaalsContact O-CB 3.28Å; Y117-L121 WeakPolarHBondContact O-CB 3.22Å; Y117-L121 PolarHBondContact O-N 3.34Å; Y117-R160 WeakPolarHBondContact OH-CD 3.38Å; Y117-R160 PolarHBondContact OH-NH1 2.89Å
118M96.9Very high96.2Very high0 Ų043.8 Ų43.80%023%0.23CC..Hα-helixtrans-62.8-43.4-179.5-66.6-61.7-166.300112.2Y75 M90 A114 L121 M122 V161 H164Y75-M118 HydrophobicContact CD1-CB 4.42Å; Y75-M118 HydrophobicContact CD2-CB 4.42Å; Y75-M118 HydrophobicContact CD2-CE 4.4Å; Y75-M118 HydrophobicContact CD2-CG 4.07Å; Y75-M118 HydrophobicContact CD2-SD 4.43Å; Y75-M118 HydrophobicContact CE1-CB 3.8Å; Y75-M118 HydrophobicContact CE1-CG 4.41Å; Y75-M118 HydrophobicContact CE2-CB 3.82Å; Y75-M118 HydrophobicContact CE2-CE 4.33Å; Y75-M118 HydrophobicContact CE2-CG 3.49Å; Y75-M118 VanDerWaalsContact CE2-CG 3.49Å; Y75-M118 HydrophobicContact CE2-SD 4.39Å; Y75-M118 VanDerWaalsContact CZ-CB 3.47Å; M90-M118 HydrophobicContact CE-CE 3.37Å; M90-M118 HydrophobicContact CE-SD 4.1Å; M90-M118 HydrophobicContact SD-CE 3.64Å; M90-M118 HydrophobicContact SD-SD 4.35Å; A114-M118 WeakPolarHBondContact O-CG 3.43Å; A114-M118 PolarHBondContact O-N 2.97Å; M118-L121 PolarHBondContact O-N 3.45Å; M118-M122 WeakPolarHBondContact O-CG 3.46Å; M118-M122 PolarHBondContact O-N 2.97Å; M118-V161 HydrophobicContact CE-CB 4.4Å; M118-V161 HydrophobicContact CE-CG1 4.17Å; M118-V161 HydrophobicContact CE-CG2 4.47Å; M118-V161 HydrophobicContact SD-CB 4.37Å; M118-V161 HydrophobicContact SD-CG1 4.2Å; M118-V161 HydrophobicContact SD-CG2 3.85Å; M118-H164 HydrophobicContact CE-CB 3.54Å; M118-H164 VanDerWaalsContact CE-CD2 3.42Å; M118-H164 WeakPolarHBondContact CE-CD2 3.43Å
119S95.3Very high96.1Very high49 Ų4934.3 Ų34.334%0.34319%0.194SC..Hα-helixtrans-57-52174.1161.90000111.4P115 L121 M122 D123P115-S119 PolarHBondContact O-N 3.33Å; S119-L121 VanDerWaalsContact C-N 3.28Å; S119-L121 PolarHBondContact O-N 3.35Å; S119-M122 PolarHBondContact O-N 3.01Å; S119-D123 WeakPolarHBondContact O-CB 3.49Å; S119-D123 PolarHBondContact O-N 2.88Å
120L96Very high95.8Very high32 Ų3233.7 Ų33.717%0.16819%0.186CC..Hα-helixtrans-62.7-36.2179.5-66.2170.1000112.5W100 Y106 L112 K116 Y117 W124W100-L120 HydrophobicContact CD2-CB 4.17Å; W100-L120 HydrophobicContact CD2-CD1 4.43Å; W100-L120 HydrophobicContact CG-CD1 4.17Å; W100-L120 HydrophobicContact CH2-CB 4.21Å; W100-L120 WeakPolarHBondContact CH2-O 3.16Å; W100-L120 HydrophobicContact CZ2-CB 3.84Å; Y106-L120 HydrophobicContact CD2-CD1 4.18Å; Y106-L120 HydrophobicContact CE2-CD1 3.53Å; Y106-L120 HydrophobicContact CE2-CD2 4.47Å; L112-L120 HydrophobicContact CD1-CD1 3.49Å; L112-L120 VanDerWaalsContact CD1-CD1 3.49Å; K116-L120 HydrophobicContact CG-CD1 4.38Å; K116-L120 WeakPolarHBondContact O-CG 3.18Å; K116-L120 PolarHBondContact O-N 2.88Å; Y117-L120 PolarHBondContact O-N 3.29Å; L120-W124 WeakPolarHBondContact O-CB 3.48Å; L120-W124 PolarHBondContact O-N 3.33Å
121L96.3Very high95.5Very high0 Ų034 Ų340%019%0.186CC..Hα-helixtrans-65-50.7177.2-178.9152.5000111.5W100 Y117 M118 S119 W124 I125 R157 V161W100-L121 HydrophobicContact CH2-CB 4.31Å; W100-L121 HydrophobicContact CZ3-CB 3.86Å; W100-L121 HydrophobicContact CZ3-CG 4.47Å; Y117-L121 HydrophobicContact CD1-CB 4.43Å; Y117-L121 HydrophobicContact CD1-CD1 4.23Å; Y117-L121 HydrophobicContact CE1-CB 4.34Å; Y117-L121 HydrophobicContact CE1-CD1 3.5Å; Y117-L121 VanDerWaalsContact O-CB 3.28Å; Y117-L121 WeakPolarHBondContact O-CB 3.22Å; Y117-L121 PolarHBondContact O-N 3.34Å; M118-L121 PolarHBondContact O-N 3.45Å; S119-L121 VanDerWaalsContact C-N 3.28Å; S119-L121 PolarHBondContact O-N 3.35Å; L121-W124 PolarHBondContact O-N 3.36Å; L121-I125 HydrophobicContact CD2-CD1 3.47Å; L121-I125 VanDerWaalsContact CD2-CD1 3.47Å; L121-I125 HydrophobicContact CD2-CG1 4.39Å; L121-I125 HydrophobicContact CG-CD1 4.16Å; L121-I125 VanDerWaalsContact O-CG1 3.32Å; L121-I125 WeakPolarHBondContact O-CG1 3.32Å; L121-I125 PolarHBondContact O-N 3.35Å; L121-R157 HydrophobicContact CD1-CB 3.81Å; L121-R157 HydrophobicContact CD1-CG 4.43Å; L121-R157 WeakPolarHBondContact CD1-O 3.48Å; L121-R157 HydrophobicContact CG-CB 4.23Å; L121-V161 HydrophobicContact CD1-CG2 4.48Å; L121-V161 HydrophobicContact CD2-CG2 4.06Å
122M94.6Very high95.3Very high13 Ų1337.1 Ų37.16%0.06419%0.194CC..Hα-helixtrans-64.9-43.7-178.6-64.8-56.7-17800111F68 I71 N72 M118 S119 W124 I125 E126 V161F68-M122 HydrophobicContact CD2-SD 4.26Å; F68-M122 HydrophobicContact CE2-CB 4.37Å; F68-M122 HydrophobicContact CE2-SD 3.85Å; I71-M122 HydrophobicContact CG2-CE 4.3Å; N72-M122 HydrophobicContact CB-CE 4.41Å; N72-M122 HydrophobicContact CB-SD 4.22Å; M118-M122 WeakPolarHBondContact O-CG 3.46Å; M118-M122 PolarHBondContact O-N 2.97Å; S119-M122 PolarHBondContact O-N 3.01Å; M122-W124 VanDerWaalsContact C-N 3.35Å; M122-W124 PolarHBondContact O-N 3.12Å; M122-I125 PolarHBondContact O-N 3.18Å; M122-E126 WeakPolarHBondContact O-CB 3.29Å; M122-E126 PolarHBondContact O-N 2.82Å; M122-V161 HydrophobicContact CE-CG1 4.17Å; M122-V161 HydrophobicContact CE-CG2 3.91Å
123D93.4Very high95.1Very high85 Ų8542.4 Ų42.446%0.45522%0.222SC..Hα-helixtrans-59.9-45.2175.8-67.9-17.9000111.2S119 E126 V127S119-D123 WeakPolarHBondContact O-CB 3.49Å; S119-D123 PolarHBondContact O-N 2.88Å; D123-E126 PolarHBondContact O-N 3.15Å; D123-V127 WeakPolarHBondContact O-CG2 3.32Å; D123-V127 PolarHBondContact O-N 3.26Å
124W95.7Very high94.9Very high51 Ų5142.5 Ų42.519%0.19322%0.221CC..Hα-helixtrans-63-45.8178.9176.582.2000111.9W100 L120 L121 M122 E126 V127 Q128 K153 I154W100-W124 HydrophobicContact CH2-CB 3.89Å; W100-W124 HydrophobicContact CH2-CG 4.27Å; W100-W124 HydrophobicContact CZ2-CB 4.18Å; L120-W124 WeakPolarHBondContact O-CB 3.48Å; L120-W124 PolarHBondContact O-N 3.33Å; L121-W124 PolarHBondContact O-N 3.36Å; M122-W124 VanDerWaalsContact C-N 3.35Å; M122-W124 PolarHBondContact O-N 3.12Å; W124-E126 VanDerWaalsContact C-N 3.34Å; W124-V127 PolarHBondContact O-N 2.64Å; W124-Q128 HydrophobicContact CD2-CG 4.11Å; W124-Q128 HydrophobicContact CE3-CG 4.36Å; W124-Q128 HydrophobicContact CH2-CG 3.92Å; W124-Q128 HydrophobicContact CZ2-CG 3.66Å; W124-Q128 HydrophobicContact CZ3-CG 4.27Å; W124-Q128 WeakPolarHBondContact O-CG 3.33Å; W124-Q128 PolarHBondContact O-N 3.41Å; W124-Q128 VanDerWaalsContact O-N 3.12Å; W124-K153 HydrophobicContact CH2-CB 4.29Å; W124-K153 HydrophobicContact CH2-CD 3.84Å; W124-K153 HydrophobicContact CH2-CG 3.78Å; W124-K153 HydrophobicContact CZ2-CD 3.96Å; W124-K153 HydrophobicContact CZ2-CG 4.4Å; W124-I154 HydrophobicContact CH2-CG1 3.91Å; W124-I154 HydrophobicContact CZ3-CG1 3.72Å
125I95.8Very high94.8Very high0 Ų042.5 Ų42.50%022%0.221CC..Hα-helixtrans-63-43.8177.6-64.1172.5000109.9F68 L121 M122 V127 Q128 I129 I154 L158F68-I125 HydrophobicContact CB-CG2 4.25Å; F68-I125 HydrophobicContact CD2-CB 3.89Å; F68-I125 HydrophobicContact CD2-CD1 4.37Å; F68-I125 HydrophobicContact CD2-CG2 3.37Å; F68-I125 HydrophobicContact CE2-CB 3.91Å; F68-I125 HydrophobicContact CE2-CG2 3.84Å; F68-I125 HydrophobicContact CG-CG2 3.88Å; L121-I125 HydrophobicContact CD2-CD1 3.47Å; L121-I125 VanDerWaalsContact CD2-CD1 3.47Å; L121-I125 HydrophobicContact CD2-CG1 4.39Å; L121-I125 HydrophobicContact CG-CD1 4.16Å; L121-I125 VanDerWaalsContact O-CG1 3.32Å; L121-I125 WeakPolarHBondContact O-CG1 3.32Å; L121-I125 PolarHBondContact O-N 3.35Å; M122-I125 PolarHBondContact O-N 3.18Å; I125-V127 VanDerWaalsContact C-N 3.29Å; I125-V127 PolarHBondContact O-N 2.71Å; I125-Q128 WeakPolarHBondContact O-CB 3.2Å; I125-Q128 PolarHBondContact O-N 3.17Å; I125-I129 HydrophobicContact CG2-CG2 3.96Å; I125-I129 WeakPolarHBondContact O-CG1 3.36Å; I125-I129 PolarHBondContact O-N 3.03Å; I125-I154 HydrophobicContact CD1-CG2 4.06Å; I125-I154 HydrophobicContact CG1-CG1 4.45Å; I125-I154 HydrophobicContact CG1-CG2 4.09Å; I125-I154 HydrophobicContact CG2-CG1 4.43Å; I125-I154 HydrophobicContact CG2-CG2 3.69Å; I125-L158 HydrophobicContact CD1-CD1 4.47Å; I125-L158 HydrophobicContact CD1-CD2 3.54Å; I125-L158 HydrophobicContact CD1-CG 3.68Å
126E91.8Very high94.5Very high49 Ų4941.6 Ų41.623%0.22922%0.215CC..Hα-helixtrans-55.7-44.8178.1-173.6175.3178.200111.2K18 F68 M122 D123 W124 Q128 I129 N130K18-E126 WeakPolarHBondContact CD-OE1 3.35Å; K18-E126 IonicContact NZ-OE1 3.05Å; K18-E126 PolarHBondContact NZ-OE1 3.4Å; F68-E126 HydrophobicContact CZ-CB 4.02Å; M122-E126 WeakPolarHBondContact O-CB 3.29Å; M122-E126 PolarHBondContact O-N 2.82Å; D123-E126 PolarHBondContact O-N 3.15Å; W124-E126 VanDerWaalsContact C-N 3.34Å; E126-Q128 VanDerWaalsContact C-N 3.35Å; E126-Q128 PolarHBondContact O-N 3.06Å; E126-I129 WeakPolarHBondContact O-CG1 3.48Å; E126-N130 VanDerWaalsContact CG-ND2 3.33Å; E126-N130 WeakPolarHBondContact CG-ND2 3.03Å; E126-N130 WeakPolarHBondContact O-CB 3.28Å; E126-N130 PolarHBondContact O-N 3.16Å; E126-N130 VanDerWaalsContact O-N 3.15Å; E126-N130 PolarHBondContact O-ND2 3.46Å
127V93.9Very high93.8Very high93 Ų9339.6 Ų39.656%0.56421%0.21SC*.Hα-helixtrans-61.7-41.9175.31720000111.5D123 W124 I125 N131D123-V127 WeakPolarHBondContact O-CG2 3.32Å; D123-V127 PolarHBondContact O-N 3.26Å; W124-V127 PolarHBondContact O-N 2.64Å; I125-V127 VanDerWaalsContact C-N 3.29Å; I125-V127 PolarHBondContact O-N 2.71Å; V127-N131 WeakPolarHBondContact O-CB 3.49Å; V127-N131 PolarHBondContact O-N 3.02Å
128Q94.9Very high93Very high32 Ų3244.6 Ų44.615%0.1524%0.237CC..Hα-helixtrans-65.7-50.2179.4-60-43.7-71.100112W124 I125 E126 N130 N131 I134 F135 V150 I154W124-Q128 HydrophobicContact CD2-CG 4.11Å; W124-Q128 HydrophobicContact CE3-CG 4.36Å; W124-Q128 HydrophobicContact CH2-CG 3.92Å; W124-Q128 HydrophobicContact CZ2-CG 3.66Å; W124-Q128 HydrophobicContact CZ3-CG 4.27Å; W124-Q128 WeakPolarHBondContact O-CG 3.33Å; W124-Q128 PolarHBondContact O-N 3.41Å; W124-Q128 VanDerWaalsContact O-N 3.12Å; I125-Q128 WeakPolarHBondContact O-CB 3.2Å; I125-Q128 PolarHBondContact O-N 3.17Å; E126-Q128 VanDerWaalsContact C-N 3.35Å; E126-Q128 PolarHBondContact O-N 3.06Å; Q128-N130 PolarHBondContact O-N 3.16Å; Q128-N131 WeakPolarHBondContact O-CB 3.43Å; Q128-N131 PolarHBondContact O-N 3.14Å; Q128-N131 VanDerWaalsContact O-N 3.14Å; Q128-I134 VanDerWaalsContact OE1-CD1 3.27Å; Q128-F135 VanDerWaalsContact O-CD2 3.3Å; Q128-F135 WeakPolarHBondContact O-CD2 3.33Å; Q128-V150 HydrophobicContact CB-CG1 4.34Å; Q128-V150 HydrophobicContact CG-CG1 4.3Å; Q128-I154 HydrophobicContact CB-CD1 3.87Å; Q128-I154 HydrophobicContact CG-CD1 4.43Å
129I93.5Very high92.1Very high4 Ų450 Ų502%0.02127%0.269CS..Hα-helixtrans-69.6-18.3-175.566.4167.7000112.7R19 V64 V65 F68 I125 E126 F135 I154R19-I129 WeakPolarHBondContact CD-O 3.46Å; R19-I129 PolarHBondContact NE-O 3.34Å; R19-I129 PolarHBondContact NH1-O 2.75Å; V64-I129 HydrophobicContact CG1-CG2 4.11Å; V65-I129 HydrophobicContact CG2-CB 4.31Å; V65-I129 HydrophobicContact CG2-CG2 4.46Å; F68-I129 HydrophobicContact CD1-CD1 3.38Å; F68-I129 HydrophobicContact CE1-CD1 3.68Å; F68-I129 HydrophobicContact CG-CD1 4.08Å; I125-I129 HydrophobicContact CG2-CG2 3.96Å; I125-I129 WeakPolarHBondContact O-CG1 3.36Å; I125-I129 PolarHBondContact O-N 3.03Å; E126-I129 WeakPolarHBondContact O-CG1 3.48Å; I129-F135 HydrophobicContact CG2-CE1 4.43Å; I129-F135 HydrophobicContact CG2-CE2 4.23Å; I129-F135 HydrophobicContact CG2-CZ 4.07Å; I129-I154 HydrophobicContact CG2-CD1 4.22Å
130N90.9Very high91.4Very high60 Ų6051.4 Ų51.432%0.32129%0.292SS..Hα-helixtrans-95.7-8175.4-70.2-50.6000113.3R19 E126 Q128 E132R19-N130 WeakPolarHBondContact CD-OD1 3.41Å; R19-N130 WeakPolarHBondContact CG-OD1 3.37Å; E126-N130 VanDerWaalsContact CG-ND2 3.33Å; E126-N130 WeakPolarHBondContact CG-ND2 3.03Å; E126-N130 WeakPolarHBondContact O-CB 3.28Å; E126-N130 PolarHBondContact O-N 3.16Å; E126-N130 VanDerWaalsContact O-N 3.15Å; E126-N130 PolarHBondContact O-ND2 3.46Å; Q128-N130 PolarHBondContact O-N 3.16Å; N130-E132 PolarHBondContact O-N 2.89Å
131N92.6Very high91Very high54 Ų5453 Ų5329%0.28930%0.303SS..  trans-76.9109.3176.4-175.6-10.7000110V127 Q128 N133 I134 F135V127-N131 WeakPolarHBondContact O-CB 3.49Å; V127-N131 PolarHBondContact O-N 3.02Å; Q128-N131 WeakPolarHBondContact O-CB 3.43Å; Q128-N131 PolarHBondContact O-N 3.14Å; Q128-N131 VanDerWaalsContact O-N 3.14Å; N131-N133 PolarHBondContact O-N 3.25Å; N131-N133 VanDerWaalsContact OD1-CB 3.31Å; N131-N133 WeakPolarHBondContact OD1-CB 3.49Å; N131-N133 PolarHBondContact OD1-N 3.46Å; N131-N133 PolarHBondContact OD1-ND2 3.5Å; N131-I134 HydrophobicContact CB-CB 4.4Å; N131-I134 HydrophobicContact CB-CD1 4.19Å; N131-I134 HydrophobicContact CB-CG1 4.23Å; N131-I134 PolarHBondContact O-N 3.43Å; N131-F135 PolarHBondContact O-N 3.26Å
132E92.6Very high90.8Very high110 Ų11058.1 Ų58.151%0.51434%0.336SS..THydrogen-bonded Turntrans-63.7-21.2-179.6-65.7-174.9169.900113.7N130 I134 P136 T137N130-E132 PolarHBondContact O-N 2.89Å; E132-I134 PolarHBondContact O-N 3.48Å; E132-P136 WeakPolarHBondContact O-CA 3.39Å; E132-T137 PolarHBondContact OE1-OG1 3.41Å
133N94.3Very high90.9Very high132 Ų13258.7 Ų58.771%0.70634%0.338SS*.THydrogen-bonded Turntrans-72.7-16.2172.8-58.3-61.7000112.6N131 P144N131-N133 PolarHBondContact O-N 3.25Å; N131-N133 VanDerWaalsContact OD1-CB 3.31Å; N131-N133 WeakPolarHBondContact OD1-CB 3.49Å; N131-N133 PolarHBondContact OD1-N 3.46Å; N131-N133 PolarHBondContact OD1-ND2 3.5Å; N133-P144 WeakPolarHBondContact O-CD 3.42Å; N133-P144 WeakPolarHBondContact O-CG 3.35Å
134I94.8Very high91Very high17 Ų1756.5 Ų56.59%0.08733%0.329CS..THydrogen-bonded Turntrans-107.6-46.7177.5-55.1178000110.5Q128 N131 E132 P136 F147 V150Q128-I134 VanDerWaalsContact OE1-CD1 3.27Å; N131-I134 HydrophobicContact CB-CB 4.4Å; N131-I134 HydrophobicContact CB-CD1 4.19Å; N131-I134 HydrophobicContact CB-CG1 4.23Å; N131-I134 PolarHBondContact O-N 3.43Å; E132-I134 PolarHBondContact O-N 3.48Å; I134-P136 VanDerWaalsContact O-CD 3.32Å; I134-P136 WeakPolarHBondContact O-CD 3.3Å; I134-F147 HydrophobicContact CG2-CD2 4.43Å; I134-F147 WeakPolarHBondContact O-CD2 3.19Å; I134-V150 HydrophobicContact CG2-CB 4.12Å; I134-V150 HydrophobicContact CG2-CG1 3.96Å; I134-V150 HydrophobicContact CG2-CG2 4.29Å
135F94.4Very high91.1Very high1 Ų164.7 Ų64.70%0.00437%0.366CS..SBendtrans-117.776.2178.9-71.7-104000109.8R19 A61 V64 Q128 I129 N131 F147 I154R19-F135 VanDerWaalsContact NH1-CB 3.29Å; R19-F135 PolarHBondContact NH1-O 3.42Å; R19-F135 PolarHBondContact NH2-O 3.36Å; A61-F135 HydrophobicContact CB-CD1 3.98Å; A61-F135 HydrophobicContact CB-CE1 4.1Å; V64-F135 HydrophobicContact CB-CE1 4.28Å; V64-F135 HydrophobicContact CB-CZ 4.44Å; V64-F135 HydrophobicContact CG1-CE1 4.1Å; V64-F135 HydrophobicContact CG1-CZ 3.88Å; Q128-F135 VanDerWaalsContact O-CD2 3.3Å; Q128-F135 WeakPolarHBondContact O-CD2 3.33Å; I129-F135 HydrophobicContact CG2-CE1 4.43Å; I129-F135 HydrophobicContact CG2-CE2 4.23Å; I129-F135 HydrophobicContact CG2-CZ 4.07Å; N131-F135 PolarHBondContact O-N 3.26Å; F135-F147 HydrophobicContact CD1-CE2 4.03Å; F135-F147 AromaticContact CE1-CE2 3.71Å; F135-F147 HydrophobicContact CE1-CE2 3.71Å; F135-F147 HydrophobicContact CE1-CZ 4.41Å; F135-F147 HydrophobicContact CE2-CE2 4.28Å; F135-F147 HydrophobicContact CG-CE2 4.45Å; F135-F147 AromaticContact CZ-CE2 3.83Å; F135-F147 HydrophobicContact CZ-CE2 3.83Å; F135-I154 HydrophobicContact CE2-CD1 4.06Å; F135-I154 HydrophobicContact CZ-CD1 4.02Å
136P91.7Very high91.1Very high5 Ų567.3 Ų67.33%0.03238%0.383CS..  trans-65.3133.5-17425.9-34.3000111.2R27 E132 I134 T141 F143R27-P136 PolarHBondContact NH1-O 3.39Å; R27-P136 PolarHBondContact NH2-O 3.38Å; E132-P136 WeakPolarHBondContact O-CA 3.39Å; I134-P136 VanDerWaalsContact O-CD 3.32Å; I134-P136 WeakPolarHBondContact O-CD 3.3Å; P136-T141 HydrophobicContact CB-CG2 3.63Å; P136-T141 HydrophobicContact CG-CG2 4.39Å; P136-F143 HydrophobicContact CG-CD1 4.1Å; P136-F143 HydrophobicContact CG-CE1 4.32Å; P136-F143 HydrophobicContact CG-CG 4.29Å
137T82.5Confident91.4Very high43 Ų4365 Ų6526%0.26437%0.373SS..  trans-89.3-27.7-175.442.10000113.6E132E132-T137 PolarHBondContact OE1-OG1 3.41Å
138N82.1Confident91.6Very high107 Ų10762.8 Ų62.857%0.57236%0.357SS*.SBendtrans-78131.4-174.7-63.8-37000112G140 T141N138-G140 PolarHBondContact O-N 3.36Å; N138-T141 WeakPolarHBondContact O-CB 3.28Å; N138-T141 PolarHBondContact O-N 3.02Å; N138-T141 VanDerWaalsContact O-N 3.11Å
139V76.8Confident91.7Very high113 Ų11368.3 Ų68.369%0.68538%0.383SS*.THydrogen-bonded Turntrans-57.9130.9172.9-178.50000109.3T141V139-T141 VanDerWaalsContact C-N 3.34Å
140G80.2Confident91.9Very high79 Ų7969.2 Ų69.281%0.81439%0.388SS*.THydrogen-bonded Turntrans86.5-5.7-178.900000115.2N138 P142N138-G140 PolarHBondContact O-N 3.36Å; G140-P142 WeakPolarHBondContact O-CD 3.38Å
141T88.3Confident92.3Very high66 Ų6666.4 Ų66.441%0.40537%0.373SS..PPolyproline II helixtrans-81.1117.5169.6-59.40000109.5P136 N138 V139P136-T141 HydrophobicContact CB-CG2 3.63Å; P136-T141 HydrophobicContact CG-CG2 4.39Å; N138-T141 WeakPolarHBondContact O-CB 3.28Å; N138-T141 PolarHBondContact O-N 3.02Å; N138-T141 VanDerWaalsContact O-N 3.11Å; V139-T141 VanDerWaalsContact C-N 3.34Å
142P92.5Very high92.6Very high106 Ų10667.5 Ų67.569%0.68838%0.375SS*.PPolyproline II helixtrans-69.8148.2-178.929.2-34.6000111.2G140G140-P142 WeakPolarHBondContact O-CD 3.38Å
143F95.8Very high92.8Very high26 Ų2667.4 Ų67.411%0.11437%0.373CS..PPolyproline II helixtrans-63.4147.7169.6-74.7-91.2000111.3N57 D58 A61 P136 F147N57-F143 HydrophobicContact CB-CB 4.28Å; N57-F143 HydrophobicContact CB-CD1 4.32Å; N57-F143 HydrophobicContact CB-CD2 3.36Å; N57-F143 HydrophobicContact CB-CE1 4.49Å; N57-F143 HydrophobicContact CB-CE2 3.58Å; N57-F143 HydrophobicContact CB-CG 3.74Å; N57-F143 HydrophobicContact CB-CZ 4.13Å; D58-F143 HydrophobicContact CB-CE2 4.4Å; D58-F143 WeakPolarHBondContact OD1-CE2 3.32Å; A61-F143 HydrophobicContact CB-CE1 3.84Å; A61-F143 HydrophobicContact CB-CZ 3.66Å; P136-F143 HydrophobicContact CG-CD1 4.1Å; P136-F143 HydrophobicContact CG-CE1 4.32Å; P136-F143 HydrophobicContact CG-CG 4.29Å; F143-F147 HydrophobicContact CB-CB 3.96Å; F143-F147 HydrophobicContact CB-CD1 4.4Å; F143-F147 HydrophobicContact CB-CG 4.13Å; F143-F147 HydrophobicContact CD1-CB 4.07Å; F143-F147 AromaticContact CD1-CD1 3.86Å; F143-F147 HydrophobicContact CD1-CD1 3.86Å; F143-F147 AromaticContact CD1-CD2 3.35Å; F143-F147 HydrophobicContact CD1-CD2 3.35Å; F143-F147 HydrophobicContact CD1-CE1 4.13Å; F143-F147 AromaticContact CD1-CE2 3.65Å; F143-F147 HydrophobicContact CD1-CE2 3.65Å; F143-F147 AromaticContact CD1-CG 3.45Å; F143-F147 HydrophobicContact CD1-CG 3.45Å; F143-F147 VanDerWaalsContact CD1-CG 3.45Å; F143-F147 HydrophobicContact CD1-CZ 4.04Å; F143-F147 HydrophobicContact CE1-CD1 4.33Å; F143-F147 AromaticContact CE1-CD2 3.69Å; F143-F147 HydrophobicContact CE1-CD2 3.69Å; F143-F147 HydrophobicContact CE1-CE1 4.14Å; F143-F147 AromaticContact CE1-CE2 3.45Å; F143-F147 HydrophobicContact CE1-CE2 3.45Å; F143-F147 VanDerWaalsContact CE1-CE2 3.45Å; F143-F147 HydrophobicContact CE1-CG 4.12Å; F143-F147 AromaticContact CE1-CZ 3.7Å; F143-F147 HydrophobicContact CE1-CZ 3.7Å; F143-F147 HydrophobicContact CG-CB 4.42Å; F143-F147 HydrophobicContact CG-CD1 4.21Å; F143-F147 HydrophobicContact CG-CD2 4.38Å; F143-F147 HydrophobicContact CG-CG 4.07Å; F143-F147 HydrophobicContact CZ-CE2 4.48Å; F143-F147 HydrophobicContact CZ-CZ 4.36Å
144P96.9Very high93Very high39 Ų3961.1 Ų61.125%0.25334%0.339SS..PPolyproline II helixtrans-66.3155.7173.133.8-41.2000110.8N133 C146 F147N133-P144 WeakPolarHBondContact O-CD 3.42Å; N133-P144 WeakPolarHBondContact O-CG 3.35Å; P144-C146 PolarHBondContact O-N 3.3Å; P144-F147 HydrophobicContact CG-CB 4.01Å; P144-F147 VanDerWaalsContact O-CB 3.25Å; P144-F147 WeakPolarHBondContact O-CB 3.32Å; P144-F147 PolarHBondContact O-N 2.88Å
145K96.6Very high93.1Very high223 Ų22360.3 Ų60.397%0.9734%0.335SS*.THydrogen-bonded Turntrans-56.9-26.8177.4-63.4-175.1179.5-179.10113.6
146C96.6Very high93.3Very high55 Ų5561.3 Ų61.337%0.37234%0.342SS..THydrogen-bonded Turntrans-86.3-5.2179.164.80000114.1P144 M148 Q149 V150P144-C146 PolarHBondContact O-N 3.3Å; C146-M148 VanDerWaalsContact C-N 3.26Å; C146-M148 PolarHBondContact O-N 3.5Å; C146-Q149 WeakPolarHBondContact O-CB 3.44Å; C146-Q149 PolarHBondContact O-N 3.5Å; C146-V150 PolarHBondContact O-N 3.47Å
147F97.9Very high93.5Very high1 Ų162.2 Ų62.20%0.00435%0.345CS..Hα-helixtrans-50-48.8-174.5167.1-106.3000111.8N57 V60 A61 I134 F135 F143 P144 Q149 V150 A151N57-F147 HydrophobicContact CB-CD1 3.72Å; N57-F147 HydrophobicContact CB-CE1 3.59Å; N57-F147 WeakPolarHBondContact O-CE1 3.41Å; N57-F147 WeakPolarHBondContact O-CZ 3.46Å; N57-F147 WeakPolarHBondContact OD1-CD1 3.38Å; V60-F147 HydrophobicContact CB-CE1 4.29Å; V60-F147 HydrophobicContact CB-CZ 4.41Å; V60-F147 HydrophobicContact CG1-CE1 4.33Å; V60-F147 HydrophobicContact CG1-CZ 4.27Å; A61-F147 HydrophobicContact CB-CE2 4.16Å; A61-F147 HydrophobicContact CB-CZ 3.79Å; I134-F147 HydrophobicContact CG2-CD2 4.43Å; I134-F147 WeakPolarHBondContact O-CD2 3.19Å; F135-F147 HydrophobicContact CD1-CE2 4.03Å; F135-F147 AromaticContact CE1-CE2 3.71Å; F135-F147 HydrophobicContact CE1-CE2 3.71Å; F135-F147 HydrophobicContact CE1-CZ 4.41Å; F135-F147 HydrophobicContact CE2-CE2 4.28Å; F135-F147 HydrophobicContact CG-CE2 4.45Å; F135-F147 AromaticContact CZ-CE2 3.83Å; F135-F147 HydrophobicContact CZ-CE2 3.83Å; F143-F147 HydrophobicContact CB-CB 3.96Å; F143-F147 HydrophobicContact CB-CD1 4.4Å; F143-F147 HydrophobicContact CB-CG 4.13Å; F143-F147 HydrophobicContact CD1-CB 4.07Å; F143-F147 AromaticContact CD1-CD1 3.86Å; F143-F147 HydrophobicContact CD1-CD1 3.86Å; F143-F147 AromaticContact CD1-CD2 3.35Å; F143-F147 HydrophobicContact CD1-CD2 3.35Å; F143-F147 HydrophobicContact CD1-CE1 4.13Å; F143-F147 AromaticContact CD1-CE2 3.65Å; F143-F147 HydrophobicContact CD1-CE2 3.65Å; F143-F147 AromaticContact CD1-CG 3.45Å; F143-F147 HydrophobicContact CD1-CG 3.45Å; F143-F147 VanDerWaalsContact CD1-CG 3.45Å; F143-F147 HydrophobicContact CD1-CZ 4.04Å; F143-F147 HydrophobicContact CE1-CD1 4.33Å; F143-F147 AromaticContact CE1-CD2 3.69Å; F143-F147 HydrophobicContact CE1-CD2 3.69Å; F143-F147 HydrophobicContact CE1-CE1 4.14Å; F143-F147 AromaticContact CE1-CE2 3.45Å; F143-F147 HydrophobicContact CE1-CE2 3.45Å; F143-F147 VanDerWaalsContact CE1-CE2 3.45Å; F143-F147 HydrophobicContact CE1-CG 4.12Å; F143-F147 AromaticContact CE1-CZ 3.7Å; F143-F147 HydrophobicContact CE1-CZ 3.7Å; F143-F147 HydrophobicContact CG-CB 4.42Å; F143-F147 HydrophobicContact CG-CD1 4.21Å; F143-F147 HydrophobicContact CG-CD2 4.38Å; F143-F147 HydrophobicContact CG-CG 4.07Å; F143-F147 HydrophobicContact CZ-CE2 4.48Å; F143-F147 HydrophobicContact CZ-CZ 4.36Å; P144-F147 HydrophobicContact CG-CB 4.01Å; P144-F147 VanDerWaalsContact O-CB 3.25Å; P144-F147 WeakPolarHBondContact O-CB 3.32Å; P144-F147 PolarHBondContact O-N 2.88Å; F147-Q149 VanDerWaalsContact C-N 3.32Å; F147-Q149 PolarHBondContact O-N 3.23Å; F147-V150 PolarHBondContact O-N 2.82Å; F147-V150 VanDerWaalsContact O-N 3.09Å; F147-A151 HydrophobicContact CZ-CB 4.37Å; F147-A151 PolarHBondContact O-N 3.06Å
148M97.9Very high94.3Very high46 Ų4660.1 Ų60.123%0.22733%0.333CS..Hα-helixtrans-68.3-33.4-175.8-162.632.350.800113.2V60 C146 V150 A151 K152 L198V60-M148 HydrophobicContact CB-CE 3.85Å; V60-M148 HydrophobicContact CG1-CE 3.52Å; V60-M148 HydrophobicContact CG1-SD 4.37Å; V60-M148 HydrophobicContact CG2-CE 4.02Å; C146-M148 VanDerWaalsContact C-N 3.26Å; C146-M148 PolarHBondContact O-N 3.5Å; M148-V150 VanDerWaalsContact C-N 3.33Å; M148-V150 PolarHBondContact O-N 3.49Å; M148-A151 HydrophobicContact CE-CB 3.9Å; M148-A151 PolarHBondContact O-N 2.95Å; M148-A151 HydrophobicContact SD-CB 4.07Å; M148-K152 WeakPolarHBondContact O-CB 3.47Å; M148-K152 VanDerWaalsContact O-CG 3.25Å; M148-K152 WeakPolarHBondContact O-CG 3.38Å; M148-K152 PolarHBondContact O-N 3.28Å; M148-K152 HydrophobicContact SD-CG 4.22Å; M148-L198 HydrophobicContact SD-CD2 3.34Å; M148-L198 WeakPolarHBondContact SD-CD2 3.34Å
149Q97.7Very high95.1Very high148 Ų14855 Ų5569%0.69231%0.305SS*.Hα-helixtrans-63.2-41.7172.1-171.3-176.924.300111.4C146 F147 K153C146-Q149 WeakPolarHBondContact O-CB 3.44Å; C146-Q149 PolarHBondContact O-N 3.5Å; F147-Q149 VanDerWaalsContact C-N 3.32Å; F147-Q149 PolarHBondContact O-N 3.23Å; Q149-K153 PolarHBondContact O-N 3.39Å; Q149-K153 VanDerWaalsContact O-N 3.14Å
150V97.8Very high96.1Very high23 Ų2351.7 Ų51.714%0.13928%0.28CS..Hα-helixtrans-67.8-45.6178-178.30000110.8Q128 I134 C146 F147 M148 K152 K153 I154Q128-V150 HydrophobicContact CB-CG1 4.34Å; Q128-V150 HydrophobicContact CG-CG1 4.3Å; I134-V150 HydrophobicContact CG2-CB 4.12Å; I134-V150 HydrophobicContact CG2-CG1 3.96Å; I134-V150 HydrophobicContact CG2-CG2 4.29Å; C146-V150 PolarHBondContact O-N 3.47Å; F147-V150 PolarHBondContact O-N 2.82Å; F147-V150 VanDerWaalsContact O-N 3.09Å; M148-V150 VanDerWaalsContact C-N 3.33Å; M148-V150 PolarHBondContact O-N 3.49Å; V150-K152 PolarHBondContact O-N 2.85Å; V150-K153 WeakPolarHBondContact O-CB 3.37Å; V150-K153 PolarHBondContact O-N 3.45Å; V150-K153 VanDerWaalsContact O-N 3.14Å; V150-I154 HydrophobicContact CG1-CD1 3.93Å; V150-I154 HydrophobicContact CG1-CG1 4.4Å; V150-I154 WeakPolarHBondContact O-CG1 3.39Å; V150-I154 PolarHBondContact O-N 3.1Å
151A98.3Very high96.9Very high0 Ų048 Ų480%024%0.242CC..Hα-helixtrans-58.1-46.4177.200000112V60 V64 F147 M148 K153 I154 L155V60-A151 HydrophobicContact CG1-CB 3.89Å; V64-A151 HydrophobicContact CG2-CB 4.12Å; F147-A151 HydrophobicContact CZ-CB 4.37Å; F147-A151 PolarHBondContact O-N 3.06Å; M148-A151 HydrophobicContact CE-CB 3.9Å; M148-A151 PolarHBondContact O-N 2.95Å; M148-A151 HydrophobicContact SD-CB 4.07Å; A151-K153 VanDerWaalsContact C-N 3.32Å; A151-K153 PolarHBondContact O-N 3.1Å; A151-I154 PolarHBondContact O-N 3.34Å; A151-L155 WeakPolarHBondContact O-CG 3.33Å; A151-L155 PolarHBondContact O-N 2.87Å
152K98.3Very high97.4Very high78 Ų7844.9 Ų44.934%0.33922%0.223SC..Hα-helixtrans-57.8-42.6174.3-72.4-172.6-178.3-155.70112.5M148 V150 L155 S156 N197 L198M148-K152 WeakPolarHBondContact O-CB 3.47Å; M148-K152 VanDerWaalsContact O-CG 3.25Å; M148-K152 WeakPolarHBondContact O-CG 3.38Å; M148-K152 PolarHBondContact O-N 3.28Å; M148-K152 HydrophobicContact SD-CG 4.22Å; V150-K152 PolarHBondContact O-N 2.85Å; K152-L155 PolarHBondContact O-N 2.83Å; K152-S156 WeakPolarHBondContact O-CB 3.35Å; K152-S156 PolarHBondContact O-N 3.49Å; K152-S156 PolarHBondContact O-OG 3.42Å; K152-N197 VanDerWaalsContact CE-O 3.32Å; K152-N197 WeakPolarHBondContact CE-O 3.4Å; K152-N197 PolarHBondContact NZ-O 3.05Å; K152-L198 HydrophobicContact CG-CB 4.33Å; K152-L198 HydrophobicContact CG-CD2 4.07Å; K152-L198 WeakPolarHBondContact CG-O 3.44Å
153K97.1Very high97.6Very high107 Ų10739.8 Ų39.847%0.46519%0.19SC..Hα-helixtrans-65.7-39.8177.5-172.2175.3179.6176.80112.1W124 Q149 V150 A151 R157W124-K153 HydrophobicContact CH2-CB 4.29Å; W124-K153 HydrophobicContact CH2-CD 3.84Å; W124-K153 HydrophobicContact CH2-CG 3.78Å; W124-K153 HydrophobicContact CZ2-CD 3.96Å; W124-K153 HydrophobicContact CZ2-CG 4.4Å; Q149-K153 PolarHBondContact O-N 3.39Å; Q149-K153 VanDerWaalsContact O-N 3.14Å; V150-K153 WeakPolarHBondContact O-CB 3.37Å; V150-K153 PolarHBondContact O-N 3.45Å; V150-K153 VanDerWaalsContact O-N 3.14Å; A151-K153 VanDerWaalsContact C-N 3.32Å; A151-K153 PolarHBondContact O-N 3.1Å; K153-R157 WeakPolarHBondContact O-CB 3.32Å; K153-R157 WeakPolarHBondContact O-CG 3.47Å; K153-R157 PolarHBondContact O-N 2.97Å; K153-R157 VanDerWaalsContact O-N 3.16Å
154I98.1Very high97.7Very high0 Ų038.6 Ų38.60%018%0.184CC..Hα-helixtrans-62.7-52.7174.7-69.1166.6000110.2V64 W124 I125 Q128 I129 F135 V150 A151 S156 R157 L158V64-I154 HydrophobicContact CG1-CB 4.36Å; V64-I154 HydrophobicContact CG1-CD1 4.12Å; V64-I154 HydrophobicContact CG1-CG2 3.72Å; W124-I154 HydrophobicContact CH2-CG1 3.91Å; W124-I154 HydrophobicContact CZ3-CG1 3.72Å; I125-I154 HydrophobicContact CD1-CG2 4.06Å; I125-I154 HydrophobicContact CG1-CG1 4.45Å; I125-I154 HydrophobicContact CG1-CG2 4.09Å; I125-I154 HydrophobicContact CG2-CG1 4.43Å; I125-I154 HydrophobicContact CG2-CG2 3.69Å; Q128-I154 HydrophobicContact CB-CD1 3.87Å; Q128-I154 HydrophobicContact CG-CD1 4.43Å; I129-I154 HydrophobicContact CG2-CD1 4.22Å; F135-I154 HydrophobicContact CE2-CD1 4.06Å; F135-I154 HydrophobicContact CZ-CD1 4.02Å; V150-I154 HydrophobicContact CG1-CD1 3.93Å; V150-I154 HydrophobicContact CG1-CG1 4.4Å; V150-I154 WeakPolarHBondContact O-CG1 3.39Å; V150-I154 PolarHBondContact O-N 3.1Å; A151-I154 PolarHBondContact O-N 3.34Å; I154-S156 PolarHBondContact O-N 3.35Å; I154-R157 WeakPolarHBondContact O-CB 3.42Å; I154-R157 PolarHBondContact O-N 3.28Å; I154-R157 VanDerWaalsContact O-N 3.12Å; I154-L158 HydrophobicContact CG2-CD1 3.84Å; I154-L158 HydrophobicContact CG2-CG 4.27Å; I154-L158 WeakPolarHBondContact O-CG 3.45Å; I154-L158 PolarHBondContact O-N 3.17Å
155L98.6Very high97.7Very high0 Ų036.7 Ų36.70%017%0.172CC..Hα-helixtrans-61.8-44.9-177.4-68.3164.3000111.5V64 F67 A151 K152 R157 L158 F159 F189 V193 L198V64-L155 HydrophobicContact CG2-CD1 4.03Å; V64-L155 HydrophobicContact CG2-CD2 4.12Å; V64-L155 HydrophobicContact CG2-CG 4.03Å; F67-L155 HydrophobicContact CD2-CD2 4.04Å; A151-L155 WeakPolarHBondContact O-CG 3.33Å; A151-L155 PolarHBondContact O-N 2.87Å; K152-L155 PolarHBondContact O-N 2.83Å; L155-R157 VanDerWaalsContact C-N 3.25Å; L155-R157 PolarHBondContact O-N 3.49Å; L155-L158 PolarHBondContact O-N 2.93Å; L155-L158 VanDerWaalsContact O-N 3.14Å; L155-F159 PolarHBondContact O-N 2.93Å; L155-F189 HydrophobicContact CB-CE2 4.36Å; L155-F189 HydrophobicContact CB-CZ 4.21Å; L155-F189 HydrophobicContact CD2-CD2 4.37Å; L155-F189 HydrophobicContact CD2-CE2 3.61Å; L155-F189 HydrophobicContact CD2-CZ 4.26Å; L155-F189 WeakPolarHBondContact O-CZ 3.09Å; L155-V193 HydrophobicContact CB-CG1 4.17Å; L155-V193 HydrophobicContact CD1-CG1 4.24Å; L155-V193 HydrophobicContact CD2-CG1 4.22Å; L155-V193 HydrophobicContact CG-CG1 4.43Å; L155-L198 HydrophobicContact CD1-CB 3.7Å; L155-L198 HydrophobicContact CD1-CD1 3.55Å; L155-L198 HydrophobicContact CD1-CG 4.18Å
156S97.3Very high97.7Very high22 Ų2227.1 Ų27.115%0.15413%0.13CC..Hα-helixtrans-60.2-35.9176.2-54.70000112.2K152 I154K152-S156 WeakPolarHBondContact O-CB 3.35Å; K152-S156 PolarHBondContact O-N 3.49Å; K152-S156 PolarHBondContact O-OG 3.42Å; I154-S156 PolarHBondContact O-N 3.35Å
157R97.3Very high97.6Very high24 Ų2427.9 Ų27.99%0.09113%0.13CC..Hα-helixtrans-71.5-43.4174.6-78.6179.1172.3-162.5-8.1111.8L121 K153 I154 L155 F159 R160L121-R157 HydrophobicContact CD1-CB 3.81Å; L121-R157 HydrophobicContact CD1-CG 4.43Å; L121-R157 WeakPolarHBondContact CD1-O 3.48Å; L121-R157 HydrophobicContact CG-CB 4.23Å; K153-R157 WeakPolarHBondContact O-CB 3.32Å; K153-R157 WeakPolarHBondContact O-CG 3.47Å; K153-R157 PolarHBondContact O-N 2.97Å; K153-R157 VanDerWaalsContact O-N 3.16Å; I154-R157 WeakPolarHBondContact O-CB 3.42Å; I154-R157 PolarHBondContact O-N 3.28Å; I154-R157 VanDerWaalsContact O-N 3.12Å; L155-R157 VanDerWaalsContact C-N 3.25Å; L155-R157 PolarHBondContact O-N 3.49Å; R157-F159 VanDerWaalsContact C-N 3.26Å; R157-F159 PolarHBondContact O-N 3.4Å; R157-R160 WeakPolarHBondContact O-CB 3.3Å; R157-R160 PolarHBondContact O-N 3.45Å; R157-R160 VanDerWaalsContact O-N 3.11Å
158L98.4Very high97.5Very high0 Ų031.3 Ų31.30%015%0.146CC..Hα-helixtrans-59.3-36.4175.4-75.5174.8000112.4F67 F68 I71 I125 I154 L155 R160 V161 F189F67-L158 HydrophobicContact CB-CD1 4.24Å; F68-L158 HydrophobicContact CB-CD1 4.41Å; F68-L158 HydrophobicContact CD2-CD2 4.39Å; I71-L158 HydrophobicContact CB-CD2 4.22Å; I71-L158 HydrophobicContact CD1-CB 3.78Å; I71-L158 HydrophobicContact CD1-CD1 4.21Å; I71-L158 HydrophobicContact CD1-CD2 4.1Å; I71-L158 HydrophobicContact CD1-CG 4.24Å; I71-L158 HydrophobicContact CG2-CD2 4.06Å; I125-L158 HydrophobicContact CD1-CD1 4.47Å; I125-L158 HydrophobicContact CD1-CD2 3.54Å; I125-L158 HydrophobicContact CD1-CG 3.68Å; I154-L158 HydrophobicContact CG2-CD1 3.84Å; I154-L158 HydrophobicContact CG2-CG 4.27Å; I154-L158 WeakPolarHBondContact O-CG 3.45Å; I154-L158 PolarHBondContact O-N 3.17Å; L155-L158 PolarHBondContact O-N 2.93Å; L155-L158 VanDerWaalsContact O-N 3.14Å; L158-R160 PolarHBondContact O-N 3.27Å; L158-V161 VanDerWaalsContact O-CB 3.28Å; L158-V161 WeakPolarHBondContact O-CB 3.43Å; L158-V161 WeakPolarHBondContact O-CG2 3.32Å; L158-V161 PolarHBondContact O-N 3.36Å; L158-F189 HydrophobicContact CB-CE2 4.12Å
159F98.3Very high97.4Very high0 Ų029.8 Ų29.80%014%0.138CC..Hα-helixtrans-56.2-39.3174.9-180-100.7000112.3L155 R157 V161 F162 V163 Y186 F189 E203 L204 L207L155-F159 PolarHBondContact O-N 2.93Å; R157-F159 VanDerWaalsContact C-N 3.26Å; R157-F159 PolarHBondContact O-N 3.4Å; F159-V161 PolarHBondContact O-N 3.47Å; F159-V161 VanDerWaalsContact O-N 3.16Å; F159-F162 WeakPolarHBondContact O-CA 3.39Å; F159-F162 WeakPolarHBondContact O-CB 2.95Å; F159-F162 PolarHBondContact O-N 2.97Å; F159-V163 HydrophobicContact CD1-CG2 3.64Å; F159-V163 HydrophobicContact CE1-CG2 3.23Å; F159-V163 HydrophobicContact CG-CG2 4.46Å; F159-V163 HydrophobicContact CZ-CG2 3.82Å; F159-V163 WeakPolarHBondContact O-CG2 3.3Å; F159-V163 PolarHBondContact O-N 2.56Å; F159-Y186 HydrophobicContact CD2-CE2 4.36Å; F159-Y186 AromaticContact CE2-CE2 3.84Å; F159-Y186 HydrophobicContact CE2-CE2 3.84Å; F159-F189 HydrophobicContact CB-CE1 3.99Å; F159-F189 HydrophobicContact CB-CZ 4.09Å; F159-F189 AromaticContact CD2-CE1 3.93Å; F159-F189 HydrophobicContact CD2-CE1 3.93Å; F159-F189 HydrophobicContact CG-CE1 4.45Å; F159-E203 WeakPolarHBondContact CD1-O 3.29Å; F159-E203 WeakPolarHBondContact CE1-O 3.45Å; F159-L204 HydrophobicContact CD1-CD2 4.4Å; F159-L204 HydrophobicContact CD2-CD2 3.66Å; F159-L204 HydrophobicContact CE1-CD2 4.3Å; F159-L204 HydrophobicContact CE2-CD2 3.48Å; F159-L204 VanDerWaalsContact CE2-CD2 3.48Å; F159-L204 HydrophobicContact CG-CD2 4.11Å; F159-L204 HydrophobicContact CZ-CB 4.39Å; F159-L204 HydrophobicContact CZ-CD2 3.84Å; F159-L207 HydrophobicContact CE2-CD1 3.93Å; F159-L207 HydrophobicContact CZ-CB 4.01Å; F159-L207 HydrophobicContact CZ-CD1 3.85Å; F159-L207 HydrophobicContact CZ-CG 4.05Å
160R98Very high97.1Very high42 Ų4225.4 Ų25.416%0.15812%0.117CC..Hα-helixtrans-60.6-27.6178.6-57.4171.6-174.6-170.8-6112.5M90 Y98 Y117 R157 L158 V163 H164 E203M90-R160 HydrophobicContact CE-CB 4.08Å; M90-R160 WeakPolarHBondContact CE-O 3.36Å; Y98-R160 HydrophobicContact CD1-CG 3.9Å; Y98-R160 HydrophobicContact CD2-CB 4.48Å; Y98-R160 HydrophobicContact CE1-CB 4.49Å; Y98-R160 HydrophobicContact CE1-CG 3.71Å; Y98-R160 HydrophobicContact CE2-CB 4.35Å; Y98-R160 HydrophobicContact CE2-CG 4.42Å; Y98-R160 HydrophobicContact CG-CG 4.33Å; Y117-R160 WeakPolarHBondContact OH-CD 3.38Å; Y117-R160 PolarHBondContact OH-NH1 2.89Å; R157-R160 WeakPolarHBondContact O-CB 3.3Å; R157-R160 PolarHBondContact O-N 3.45Å; R157-R160 VanDerWaalsContact O-N 3.11Å; L158-R160 PolarHBondContact O-N 3.27Å; R160-V163 PolarHBondContact O-N 3.26Å; R160-H164 WeakPolarHBondContact O-CB 3.22Å; R160-H164 PolarHBondContact O-N 3.29Å; R160-E203 IonicContact CZ-OE2 3.37Å; R160-E203 IonicContact NE-OE2 2.76Å; R160-E203 IonicContact NH2-OE2 3.13Å; R160-E203 PolarHBondContact NH2-OE2 3.32Å; R160-E203 VanDerWaalsContact NH2-OE2 3.08Å
161V97.9Very high96.8Very high1 Ų130.3 Ų30.31%0.00614%0.142CC..Hα-helixtrans-66.5-45.8173.7-168.80000110.3I71 Y75 M118 L121 M122 L158 F159 V163 H164 V165I71-V161 HydrophobicContact CG2-CB 3.62Å; I71-V161 HydrophobicContact CG2-CG1 3.61Å; I71-V161 HydrophobicContact CG2-CG2 4.01Å; Y75-V161 HydrophobicContact CD2-CG1 4.42Å; M118-V161 HydrophobicContact CE-CB 4.4Å; M118-V161 HydrophobicContact CE-CG1 4.17Å; M118-V161 HydrophobicContact CE-CG2 4.47Å; M118-V161 HydrophobicContact SD-CB 4.37Å; M118-V161 HydrophobicContact SD-CG1 4.2Å; M118-V161 HydrophobicContact SD-CG2 3.85Å; L121-V161 HydrophobicContact CD1-CG2 4.48Å; L121-V161 HydrophobicContact CD2-CG2 4.06Å; M122-V161 HydrophobicContact CE-CG1 4.17Å; M122-V161 HydrophobicContact CE-CG2 3.91Å; L158-V161 VanDerWaalsContact O-CB 3.28Å; L158-V161 WeakPolarHBondContact O-CB 3.43Å; L158-V161 WeakPolarHBondContact O-CG2 3.32Å; L158-V161 PolarHBondContact O-N 3.36Å; F159-V161 PolarHBondContact O-N 3.47Å; F159-V161 VanDerWaalsContact O-N 3.16Å; V161-V163 PolarHBondContact O-N 2.91Å; V161-H164 PolarHBondContact O-N 3.07Å; V161-V165 HydrophobicContact CG1-CG2 4.34Å; V161-V165 WeakPolarHBondContact O-CB 3.44Å; V161-V165 VanDerWaalsContact O-CG2 3.24Å; V161-V165 WeakPolarHBondContact O-CG2 3.49Å; V161-V165 PolarHBondContact O-N 3.46Å
162F97.9Very high96.5Very high1 Ų134.3 Ų34.30%0.00416%0.157CC..Hα-helixtrans-58.9-48.5172.9-73.8-65.1000111.6I71 I74 F159 H164 V165 Y166 C185 Y186 F189 L207I71-F162 HydrophobicContact CD1-CD2 4.15Å; I71-F162 HydrophobicContact CD1-CE2 3.36Å; I71-F162 HydrophobicContact CD1-CZ 3.79Å; I71-F162 HydrophobicContact CG1-CE1 4.39Å; I71-F162 HydrophobicContact CG1-CE2 3.74Å; I71-F162 HydrophobicContact CG1-CZ 3.62Å; I74-F162 HydrophobicContact CD1-CE1 4.11Å; F159-F162 WeakPolarHBondContact O-CA 3.39Å; F159-F162 WeakPolarHBondContact O-CB 2.95Å; F159-F162 PolarHBondContact O-N 2.97Å; F162-H164 VanDerWaalsContact C-N 3.28Å; F162-H164 PolarHBondContact O-N 3.43Å; F162-V165 PolarHBondContact O-N 2.86Å; F162-Y166 HydrophobicContact CB-CD2 4.17Å; F162-Y166 HydrophobicContact CB-CE2 4.33Å; F162-Y166 AromaticContact CD1-CE2 4Å; F162-Y166 HydrophobicContact CD1-CE2 4Å; F162-Y166 WeakPolarHBondContact O-CB 3.39Å; F162-Y166 WeakPolarHBondContact O-CD2 3.48Å; F162-Y166 PolarHBondContact O-N 3.16Å; F162-C185 HydrophobicContact CE1-CB 4.38Å; F162-C185 HydrophobicContact CZ-CB 4.29Å; F162-Y186 HydrophobicContact CB-CD2 3.98Å; F162-Y186 HydrophobicContact CB-CE2 4.36Å; F162-Y186 AromaticContact CD1-CD2 3.94Å; F162-Y186 HydrophobicContact CD1-CD2 3.94Å; F162-Y186 HydrophobicContact CD1-CG 4.44Å; F162-Y186 AromaticContact CD2-CD2 3.95Å; F162-Y186 HydrophobicContact CD2-CD2 3.95Å; F162-Y186 HydrophobicContact CE1-CD2 4.37Å; F162-Y186 HydrophobicContact CE2-CD2 4.36Å; F162-Y186 AromaticContact CG-CD2 3.71Å; F162-Y186 HydrophobicContact CG-CD2 3.71Å; F162-Y186 HydrophobicContact CG-CE2 4.48Å; F162-F189 HydrophobicContact CD2-CD1 4.36Å; F162-F189 HydrophobicContact CD2-CG 4.41Å; F162-F189 HydrophobicContact CE2-CB 3.84Å; F162-F189 HydrophobicContact CE2-CD1 4.08Å; F162-F189 HydrophobicContact CE2-CD2 4.02Å; F162-F189 AromaticContact CE2-CG 3.71Å; F162-F189 HydrophobicContact CE2-CG 3.71Å; F162-F189 HydrophobicContact CZ-CB 4.27Å; F162-L207 HydrophobicContact CB-CD1 4.07Å
163V97.8Very high96.1Very high0 Ų030.6 Ų30.60%014%0.141CC..Hα-helixtrans-53.3-49.6179.4-175.30000110.7G92 Y98 F159 R160 V161 I167 P206 L207G92-V163 VanDerWaalsContact CA-CG1 3.44Å; Y98-V163 HydrophobicContact CE2-CG1 4.44Å; F159-V163 HydrophobicContact CD1-CG2 3.64Å; F159-V163 HydrophobicContact CE1-CG2 3.23Å; F159-V163 HydrophobicContact CG-CG2 4.46Å; F159-V163 HydrophobicContact CZ-CG2 3.82Å; F159-V163 WeakPolarHBondContact O-CG2 3.3Å; F159-V163 PolarHBondContact O-N 2.56Å; R160-V163 PolarHBondContact O-N 3.26Å; V161-V163 PolarHBondContact O-N 2.91Å; V163-I167 HydrophobicContact CG1-CD1 3.63Å; V163-I167 HydrophobicContact CG1-CG1 4.49Å; V163-I167 WeakPolarHBondContact O-CB 3.48Å; V163-I167 VanDerWaalsContact O-CG1 3.3Å; V163-I167 WeakPolarHBondContact O-CG1 3.26Å; V163-I167 PolarHBondContact O-N 3.18Å; V163-P206 HydrophobicContact CG1-CB 3.66Å; V163-P206 HydrophobicContact CG2-CB 3.99Å; V163-P206 HydrophobicContact CG2-CG 4.48Å; V163-L207 HydrophobicContact CB-CG 4.49Å; V163-L207 HydrophobicContact CG2-CD1 3.99Å; V163-L207 HydrophobicContact CG2-CG 4.02Å
164H97.7Very high95.7Very high0 Ų027.3 Ų27.30%013%0.132CC..Hα-helixtrans-65.3-44.9-178.6-176.467.8000112.6C82 M90 S91 A114 M118 R160 V161 F162 I167 H168 H169C82-H164 PolarHBondContact SG-NE2 2.89Å; M90-H164 HydrophobicContact CE-CB 3.77Å; M90-H164 HydrophobicContact SD-CB 4.27Å; S91-H164 PolarHBondContact O-ND1 3.5Å; A114-H164 WeakPolarHBondContact CB-CE1 3.34Å; A114-H164 WeakPolarHBondContact CB-NE2 3.47Å; M118-H164 HydrophobicContact CE-CB 3.54Å; M118-H164 VanDerWaalsContact CE-CD2 3.42Å; M118-H164 WeakPolarHBondContact CE-CD2 3.43Å; R160-H164 WeakPolarHBondContact O-CB 3.22Å; R160-H164 PolarHBondContact O-N 3.29Å; V161-H164 PolarHBondContact O-N 3.07Å; F162-H164 VanDerWaalsContact C-N 3.28Å; F162-H164 PolarHBondContact O-N 3.43Å; H164-I167 PolarHBondContact O-N 3.07Å; H164-H168 AromaticContact CE1-CD2 3.85Å; H164-H168 AromaticContact CE1-CG 3.99Å; H164-H168 AromaticContact ND1-CD2 3.38Å; H164-H168 PolarHBondContact ND1-CD2 3.3Å; H164-H168 AromaticContact ND1-CG 3.97Å; H164-H168 WeakPolarHBondContact O-CB 3.37Å; H164-H168 PolarHBondContact O-N 3.34Å; H164-H169 AromaticContact CD2-CD2 3.79Å; H164-H169 AromaticContact CE1-NE2 3.9Å; H164-H169 AromaticContact NE2-CD2 3.41Å; H164-H169 PolarHBondContact NE2-CD2 3.48Å; H164-H169 AromaticContact NE2-NE2 3.26Å; H164-H169 PolarHBondContact NE2-NE2 3.47Å
165V96.7Very high95.3Very high0 Ų034.1 Ų34.10%016%0.164CC..Hα-helixtrans-61.2-48178.4170.10000111I74 I78 V161 F162 I167 H169 F170 V173 V182I74-V165 HydrophobicContact CG2-CG1 4.19Å; I74-V165 HydrophobicContact CG2-CG2 4.31Å; I78-V165 HydrophobicContact CG1-CG2 4.26Å; V161-V165 HydrophobicContact CG1-CG2 4.34Å; V161-V165 WeakPolarHBondContact O-CB 3.44Å; V161-V165 VanDerWaalsContact O-CG2 3.24Å; V161-V165 WeakPolarHBondContact O-CG2 3.49Å; V161-V165 PolarHBondContact O-N 3.46Å; F162-V165 PolarHBondContact O-N 2.86Å; V165-I167 PolarHBondContact O-N 3Å; V165-H169 CarbonylContact O-C 3.5Å; V165-H169 VanDerWaalsContact O-C 3.23Å; V165-H169 WeakPolarHBondContact O-CA 3.43Å; V165-H169 PolarHBondContact O-N 3.05Å; V165-F170 PolarHBondContact O-N 3.06Å; V165-V173 HydrophobicContact CG1-CG2 3.86Å; V165-V182 HydrophobicContact CG1-CG1 4.5Å
166Y96.1Very high94.8Very high22 Ų2235.3 Ų35.39%0.08617%0.169CC..Hα-helixtrans-67.1-35.1-179-83.5-68000113.5F162 F170 V182 N183 Y186 L207 M210F162-Y166 HydrophobicContact CB-CD2 4.17Å; F162-Y166 HydrophobicContact CB-CE2 4.33Å; F162-Y166 AromaticContact CD1-CE2 4Å; F162-Y166 HydrophobicContact CD1-CE2 4Å; F162-Y166 WeakPolarHBondContact O-CB 3.39Å; F162-Y166 WeakPolarHBondContact O-CD2 3.48Å; F162-Y166 PolarHBondContact O-N 3.16Å; Y166-F170 AromaticContact CD1-CD2 3.43Å; Y166-F170 HydrophobicContact CD1-CD2 3.43Å; Y166-F170 VanDerWaalsContact CD1-CD2 3.43Å; Y166-F170 AromaticContact CD1-CE2 3.62Å; Y166-F170 HydrophobicContact CD1-CE2 3.62Å; Y166-F170 HydrophobicContact CD1-CG 4.33Å; Y166-F170 AromaticContact CE1-CD2 3.77Å; Y166-F170 HydrophobicContact CE1-CD2 3.77Å; Y166-F170 AromaticContact CE1-CE2 3.44Å; Y166-F170 HydrophobicContact CE1-CE2 3.44Å; Y166-F170 VanDerWaalsContact CE1-CE2 3.44Å; Y166-F170 HydrophobicContact CE1-CZ 4.38Å; Y166-F170 HydrophobicContact CG-CD2 4.46Å; Y166-F170 WeakPolarHBondContact O-CB 3.31Å; Y166-V182 HydrophobicContact CE1-CG1 4.36Å; Y166-V182 HydrophobicContact CE2-CG1 4.12Å; Y166-N183 WeakPolarHBondContact CE1-OD1 3.48Å; Y166-N183 WeakPolarHBondContact OH-CA 3.35Å; Y166-N183 PolarHBondContact OH-OD1 2.85Å; Y166-Y186 HydrophobicContact CE2-CD1 4.42Å; Y166-Y186 HydrophobicContact CE2-CD2 4.03Å; Y166-Y186 AromaticContact CE2-CG 3.86Å; Y166-Y186 HydrophobicContact CE2-CG 3.86Å; Y166-Y186 WeakPolarHBondContact OH-CB 3.07Å; Y166-L207 HydrophobicContact CD2-CD1 4.04Å; Y166-L207 HydrophobicContact CD2-CD2 4.44Å; Y166-L207 HydrophobicContact CG-CD2 4.47Å; Y166-M210 HydrophobicContact CD1-CE 4.05Å; Y166-M210 HydrophobicContact CD1-SD 3.3Å; Y166-M210 WeakPolarHBondContact CD1-SD 3.41Å; Y166-M210 HydrophobicContact CD2-CE 3.59Å; Y166-M210 HydrophobicContact CD2-SD 3.94Å; Y166-M210 HydrophobicContact CE1-CE 3.97Å; Y166-M210 HydrophobicContact CE1-SD 3.49Å; Y166-M210 WeakPolarHBondContact CE1-SD 3.44Å; Y166-M210 HydrophobicContact CE2-CE 3.52Å; Y166-M210 HydrophobicContact CE2-SD 4.12Å; Y166-M210 HydrophobicContact CG-CE 3.86Å; Y166-M210 HydrophobicContact CG-SD 3.53Å; Y166-M210 VanDerWaalsContact CG-SD 3.53Å
167I94.9Very high94.4Very high71 Ų7136.9 Ų36.936%0.36419%0.189SC..Hα-helixtrans-86.8-38.3-175.2-65.2177.1000112.1G92 V163 H164 V165G92-I167 WeakPolarHBondContact O-CD1 3.48Å; V163-I167 HydrophobicContact CG1-CD1 3.63Å; V163-I167 HydrophobicContact CG1-CG1 4.49Å; V163-I167 WeakPolarHBondContact O-CB 3.48Å; V163-I167 VanDerWaalsContact O-CG1 3.3Å; V163-I167 WeakPolarHBondContact O-CG1 3.26Å; V163-I167 PolarHBondContact O-N 3.18Å; H164-I167 PolarHBondContact O-N 3.07Å; V165-I167 PolarHBondContact O-N 3Å
168H95.2Very high94Very high73 Ų7336.3 Ų36.334%0.33819%0.19SC..Hα-helixtrans-109.1-23.3-170.2-62-82.2000114.2S91 G93 H164S91-H168 PolarHBondContact O-NE2 3.42Å; S91-H168 PolarHBondContact OG-NE2 2.75Å; G93-H168 PolarHBondContact N-NE2 3.45Å; H164-H168 AromaticContact CE1-CD2 3.85Å; H164-H168 AromaticContact CE1-CG 3.99Å; H164-H168 AromaticContact ND1-CD2 3.38Å; H164-H168 PolarHBondContact ND1-CD2 3.3Å; H164-H168 AromaticContact ND1-CG 3.97Å; H164-H168 WeakPolarHBondContact O-CB 3.37Å; H164-H168 PolarHBondContact O-N 3.34Å
169H96Very high93.5Very high13 Ų1339.9 Ų39.96%0.0621%0.206CC..SBendtrans-129.812.3-170.1-63.4-72.7000113.9I78 C82 C87 H164 V165 D171 R172 V173I78-H169 HydrophobicContact CB-CB 4.09Å; I78-H169 HydrophobicContact CG1-CB 4.21Å; I78-H169 HydrophobicContact CG2-CB 4.06Å; C82-H169 PolarHBondContact SG-NE2 2.66Å; C87-H169 PolarHBondContact SG-NE2 3.28Å; C87-H169 VanDerWaalsContact SG-NE2 3.41Å; H164-H169 AromaticContact CD2-CD2 3.79Å; H164-H169 AromaticContact CE1-NE2 3.9Å; H164-H169 AromaticContact NE2-CD2 3.41Å; H164-H169 PolarHBondContact NE2-CD2 3.48Å; H164-H169 AromaticContact NE2-NE2 3.26Å; H164-H169 PolarHBondContact NE2-NE2 3.47Å; V165-H169 CarbonylContact O-C 3.5Å; V165-H169 VanDerWaalsContact O-C 3.23Å; V165-H169 WeakPolarHBondContact O-CA 3.43Å; V165-H169 PolarHBondContact O-N 3.05Å; H169-D171 VanDerWaalsContact C-N 3.33Å; H169-D171 PolarHBondContact O-N 2.93Å; H169-R172 WeakPolarHBondContact O-CB 3.49Å; H169-R172 PolarHBondContact O-N 3.47Å; H169-R172 VanDerWaalsContact O-N 3.13Å; H169-V173 PolarHBondContact O-N 3.38Å; H169-V173 VanDerWaalsContact O-N 3.13Å
170F92.2Very high93.1Very high57 Ų5743 Ų4325%0.2523%0.232CC..Hα-helixtrans-64.8-37.7-177.1-163.5-104.3000112V165 Y166 R172 V173 S174 E179V165-F170 PolarHBondContact O-N 3.06Å; Y166-F170 AromaticContact CD1-CD2 3.43Å; Y166-F170 HydrophobicContact CD1-CD2 3.43Å; Y166-F170 VanDerWaalsContact CD1-CD2 3.43Å; Y166-F170 AromaticContact CD1-CE2 3.62Å; Y166-F170 HydrophobicContact CD1-CE2 3.62Å; Y166-F170 HydrophobicContact CD1-CG 4.33Å; Y166-F170 AromaticContact CE1-CD2 3.77Å; Y166-F170 HydrophobicContact CE1-CD2 3.77Å; Y166-F170 AromaticContact CE1-CE2 3.44Å; Y166-F170 HydrophobicContact CE1-CE2 3.44Å; Y166-F170 VanDerWaalsContact CE1-CE2 3.44Å; Y166-F170 HydrophobicContact CE1-CZ 4.38Å; Y166-F170 HydrophobicContact CG-CD2 4.46Å; Y166-F170 WeakPolarHBondContact O-CB 3.31Å; F170-R172 PolarHBondContact O-N 2.8Å; F170-V173 HydrophobicContact CD2-CB 4.46Å; F170-V173 HydrophobicContact CE2-CG1 4.44Å; F170-V173 CarbonylContact O-C 3.57Å; F170-V173 WeakPolarHBondContact O-CA 3.39Å; F170-V173 WeakPolarHBondContact O-CB 3.38Å; F170-V173 PolarHBondContact O-N 2.72Å; F170-S174 PolarHBondContact O-N 3.43Å; F170-S174 PolarHBondContact O-OG 2.93Å; F170-E179 HydrophobicContact CE1-CG 4.42Å; F170-E179 HydrophobicContact CZ-CB 4.22Å; F170-E179 HydrophobicContact CZ-CG 3.99Å
171D91.9Very high92.6Very high126 Ų12647.6 Ų47.667%0.67426%0.255SS*.Hα-helixtrans-56-37.5174.5-66.8-13.8000112.5H169 S174 Q175H169-D171 VanDerWaalsContact C-N 3.33Å; H169-D171 PolarHBondContact O-N 2.93Å; D171-S174 WeakPolarHBondContact O-CB 3.34Å; D171-S174 PolarHBondContact O-N 3.41Å; D171-Q175 WeakPolarHBondContact O-CG 3.43Å; D171-Q175 PolarHBondContact O-N 2.96Å
172R90.2Very high92.4Very high83 Ų8347.7 Ų47.731%0.31326%0.255SS..Hα-helixtrans-69.5-43.4175.6-179.358.7168.6178.5-5.5111.1I78 D80 H169 F170 S174 Q175 M176I78-R172 HydrophobicContact CG2-CB 4.27Å; I78-R172 HydrophobicContact CG2-CG 3.95Å; D80-R172 IonicContact OD2-NH2 3.77Å; D80-R172 PolarHBondContact OD2-NH2 3.47Å; H169-R172 WeakPolarHBondContact O-CB 3.49Å; H169-R172 PolarHBondContact O-N 3.47Å; H169-R172 VanDerWaalsContact O-N 3.13Å; F170-R172 PolarHBondContact O-N 2.8Å; R172-S174 VanDerWaalsContact C-N 3.26Å; R172-S174 PolarHBondContact O-N 3.31Å; R172-Q175 PolarHBondContact O-N 2.94Å; R172-M176 HydrophobicContact CG-SD 4.25Å; R172-M176 VanDerWaalsContact O-CG 3.3Å; R172-M176 WeakPolarHBondContact O-CG 3.42Å; R172-M176 PolarHBondContact O-N 3.23Å; R172-M176 VanDerWaalsContact O-N 3.14Å
173V89.8Confident92.2Very high0 Ų049.5 Ų49.50%027%0.265CS..Hα-helixtrans-57.5-41.5173.5172.30000110.9I78 V165 H169 F170 M176 G177 A178 E179 V182I78-V173 HydrophobicContact CG2-CG2 3.93Å; V165-V173 HydrophobicContact CG1-CG2 3.86Å; H169-V173 PolarHBondContact O-N 3.38Å; H169-V173 VanDerWaalsContact O-N 3.13Å; F170-V173 HydrophobicContact CD2-CB 4.46Å; F170-V173 HydrophobicContact CE2-CG1 4.44Å; F170-V173 CarbonylContact O-C 3.57Å; F170-V173 WeakPolarHBondContact O-CA 3.39Å; F170-V173 WeakPolarHBondContact O-CB 3.38Å; F170-V173 PolarHBondContact O-N 2.72Å; V173-M176 PolarHBondContact O-N 2.96Å; V173-G177 PolarHBondContact O-N 3.11Å; V173-A178 HydrophobicContact CG1-CB 4.12Å; V173-A178 PolarHBondContact O-N 3.32Å; V173-E179 HydrophobicContact CG1-CG 4.23Å; V173-V182 HydrophobicContact CG1-CB 4.3Å; V173-V182 HydrophobicContact CG1-CG2 3.68Å; V173-V182 HydrophobicContact CG2-CG2 4.45Å
174S89.3Confident91.9Very high38 Ų3852.8 Ų52.827%0.26629%0.285SS..Hα-helixtrans-61.8-50.7175.2-60.90000112.6F170 D171 R172 M176 G177 E179F170-S174 PolarHBondContact O-N 3.43Å; F170-S174 PolarHBondContact O-OG 2.93Å; D171-S174 WeakPolarHBondContact O-CB 3.34Å; D171-S174 PolarHBondContact O-N 3.41Å; R172-S174 VanDerWaalsContact C-N 3.26Å; R172-S174 PolarHBondContact O-N 3.31Å; S174-M176 PolarHBondContact O-N 2.93Å; S174-M176 VanDerWaalsContact O-N 3.16Å; S174-G177 PolarHBondContact O-N 3.01Å; S174-E179 VanDerWaalsContact CA-OE1 3.26Å; S174-E179 WeakPolarHBondContact CA-OE1 3.24Å; S174-E179 WeakPolarHBondContact CB-OE1 3.46Å; S174-E179 PolarHBondContact OG-OE1 3.41Å
175Q90.2Very high91.8Very high144 Ų14452.9 Ų52.967%0.67329%0.286SS*.Hα-helixtrans-58.5-30177.8-73.2166.617.300112.9D171 R172 G177D171-Q175 WeakPolarHBondContact O-CG 3.43Å; D171-Q175 PolarHBondContact O-N 2.96Å; R172-Q175 PolarHBondContact O-N 2.94Å; Q175-G177 VanDerWaalsContact C-N 3.34Å
176M88.5Confident91.8Very high24 Ų2452.9 Ų52.912%0.11829%0.286CS..THydrogen-bonded Turntrans-84.9-6.6177.8-64.8176.569.500113.6V8 T77 R172 V173 S174 A178V8-M176 HydrophobicContact CG2-CE 3.73Å; T77-M176 HydrophobicContact CG2-CE 4.47Å; R172-M176 HydrophobicContact CG-SD 4.25Å; R172-M176 VanDerWaalsContact O-CG 3.3Å; R172-M176 WeakPolarHBondContact O-CG 3.42Å; R172-M176 PolarHBondContact O-N 3.23Å; R172-M176 VanDerWaalsContact O-N 3.14Å; V173-M176 PolarHBondContact O-N 2.96Å; S174-M176 PolarHBondContact O-N 2.93Å; S174-M176 VanDerWaalsContact O-N 3.16Å; M176-A178 HydrophobicContact CB-CB 4.34Å; M176-A178 PolarHBondContact O-N 2.95Å
177G87.8Confident91.8Very high55 Ų5555 Ų5557%0.56730%0.295SS*.THydrogen-bonded Turntrans65.724.8-173.700000113.2V173 S174 Q175V173-G177 PolarHBondContact O-N 3.11Å; S174-G177 PolarHBondContact O-N 3.01Å; Q175-G177 VanDerWaalsContact C-N 3.34Å
178A89Confident91.8Very high13 Ų1351.7 Ų51.711%0.10728%0.279CS..  trans-95-2.1-174.500000113.6V173 M176 A180 H181 V182V173-A178 HydrophobicContact CG1-CB 4.12Å; V173-A178 PolarHBondContact O-N 3.32Å; M176-A178 HydrophobicContact CB-CB 4.34Å; M176-A178 PolarHBondContact O-N 2.95Å; A178-A180 PolarHBondContact O-N 2.82Å; A178-H181 WeakPolarHBondContact O-CB 3.49Å; A178-H181 PolarHBondContact O-N 3.26Å; A178-V182 PolarHBondContact O-N 3.48Å; A178-V182 VanDerWaalsContact O-N 3.11Å
179E89.3Confident91.9Very high75 Ų7548.2 Ų48.235%0.3526%0.262SS..Hα-helixtrans-51.5-49.1-175-56.5171.9158.600113F170 V173 S174 H181 V182 N183F170-E179 HydrophobicContact CE1-CG 4.42Å; F170-E179 HydrophobicContact CZ-CB 4.22Å; F170-E179 HydrophobicContact CZ-CG 3.99Å; V173-E179 HydrophobicContact CG1-CG 4.23Å; S174-E179 VanDerWaalsContact CA-OE1 3.26Å; S174-E179 WeakPolarHBondContact CA-OE1 3.24Å; S174-E179 WeakPolarHBondContact CB-OE1 3.46Å; S174-E179 PolarHBondContact OG-OE1 3.41Å; E179-H181 PolarHBondContact O-N 3.23Å; E179-V182 PolarHBondContact O-N 2.86Å; E179-N183 VanDerWaalsContact O-CB 3.23Å; E179-N183 WeakPolarHBondContact O-CB 3.14Å; E179-N183 PolarHBondContact O-N 3.34Å; E179-N183 PolarHBondContact O-ND2 3.39Å
180A88.5Confident92Very high64 Ų6449.4 Ų49.453%0.52927%0.267SS..Hα-helixtrans-59.6-35.8-178.500000112A178 T184A178-A180 PolarHBondContact O-N 2.82Å; A180-T184 VanDerWaalsContact O-CB 3.28Å; A180-T184 WeakPolarHBondContact O-CB 3.21Å; A180-T184 PolarHBondContact O-N 3.2Å; A180-T184 PolarHBondContact O-OG1 2.98Å
181H88.3Confident92.2Very high139 Ų13947.9 Ų47.964%0.64426%0.26SS*.Hα-helixtrans-71.5-45.1178.6-59.888.2000111.3A178 E179 T184 C185A178-H181 WeakPolarHBondContact O-CB 3.49Å; A178-H181 PolarHBondContact O-N 3.26Å; E179-H181 PolarHBondContact O-N 3.23Å; H181-T184 PolarHBondContact O-N 3.44Å; H181-C185 WeakPolarHBondContact O-CB 3.49Å; H181-C185 PolarHBondContact O-N 3.42Å
182V93.3Very high92.4Very high3 Ų341.9 Ų41.92%0.01823%0.228CC..Hα-helixtrans-62.5-46.5176.2-179.90000110.1I74 V165 Y166 V173 A178 E179 T184 C185 Y186I74-V182 HydrophobicContact CD1-CG1 4.46Å; I74-V182 HydrophobicContact CD1-CG2 4.24Å; I74-V182 HydrophobicContact CG1-CG2 4.11Å; I74-V182 HydrophobicContact CG2-CG1 4.34Å; I74-V182 HydrophobicContact CG2-CG2 3.87Å; V165-V182 HydrophobicContact CG1-CG1 4.5Å; Y166-V182 HydrophobicContact CE1-CG1 4.36Å; Y166-V182 HydrophobicContact CE2-CG1 4.12Å; V173-V182 HydrophobicContact CG1-CB 4.3Å; V173-V182 HydrophobicContact CG1-CG2 3.68Å; V173-V182 HydrophobicContact CG2-CG2 4.45Å; A178-V182 PolarHBondContact O-N 3.48Å; A178-V182 VanDerWaalsContact O-N 3.11Å; E179-V182 PolarHBondContact O-N 2.86Å; V182-T184 PolarHBondContact O-N 3.21Å; V182-C185 PolarHBondContact O-N 3.41Å; V182-Y186 WeakPolarHBondContact O-CB 3.41Å; V182-Y186 PolarHBondContact O-N 2.91Å
183N92.8Very high92.8Very high40 Ų4038 Ų3821%0.21421%0.213CC..Hα-helixtrans-61-44.8178.4-73.4-11.1000112.6Y166 E179 Y186 K187 M214Y166-N183 WeakPolarHBondContact CE1-OD1 3.48Å; Y166-N183 WeakPolarHBondContact OH-CA 3.35Å; Y166-N183 PolarHBondContact OH-OD1 2.85Å; E179-N183 VanDerWaalsContact O-CB 3.23Å; E179-N183 WeakPolarHBondContact O-CB 3.14Å; E179-N183 PolarHBondContact O-N 3.34Å; E179-N183 PolarHBondContact O-ND2 3.39Å; N183-Y186 PolarHBondContact O-N 2.89Å; N183-K187 WeakPolarHBondContact O-CB 3.23Å; N183-K187 VanDerWaalsContact O-CG 3.31Å; N183-K187 WeakPolarHBondContact O-CG 3.27Å; N183-K187 PolarHBondContact O-N 3.29Å; N183-M214 HydrophobicContact CB-CE 3.48Å; N183-M214 VanDerWaalsContact CB-CE 3.48Å; N183-M214 VanDerWaalsContact CG-CE 3.48Å; N183-M214 WeakPolarHBondContact OD1-CE 3.33Å
184T92.9Very high93.1Very high69 Ų6940.3 Ų40.342%0.42323%0.227SC..Hα-helixtrans-65.3-41.8176.9-59.10000111.2A180 H181 V182 K187 H188A180-T184 VanDerWaalsContact O-CB 3.28Å; A180-T184 WeakPolarHBondContact O-CB 3.21Å; A180-T184 PolarHBondContact O-N 3.2Å; A180-T184 PolarHBondContact O-OG1 2.98Å; H181-T184 PolarHBondContact O-N 3.44Å; V182-T184 PolarHBondContact O-N 3.21Å; T184-K187 PolarHBondContact O-N 3.19Å; T184-H188 WeakPolarHBondContact O-CB 3.32Å; T184-H188 PolarHBondContact O-N 3.01Å
185C95.3Very high93.5Very high2 Ų243.1 Ų43.11%0.01424%0.236CC..Hα-helixtrans-63.1-42.5175.9-164.60000111.9R70 I74 F162 H181 V182 F189R70-C185 PolarHBondContact NE-SG 3.33Å; I74-C185 HydrophobicContact CD1-CB 3.8Å; F162-C185 HydrophobicContact CE1-CB 4.38Å; F162-C185 HydrophobicContact CZ-CB 4.29Å; H181-C185 WeakPolarHBondContact O-CB 3.49Å; H181-C185 PolarHBondContact O-N 3.42Å; V182-C185 PolarHBondContact O-N 3.41Å; C185-F189 VanDerWaalsContact O-CB 3.29Å; C185-F189 WeakPolarHBondContact O-CB 3.45Å; C185-F189 PolarHBondContact O-N 3.39Å
186Y96.6Very high93.8Very high0 Ų038.2 Ų38.20%021%0.213CC..Hα-helixtrans-65.1-46.6177.3176.4-103.7000112.1F159 F162 Y166 V182 N183 H188 F189 Y190 L207 M210 T211 M214F159-Y186 HydrophobicContact CD2-CE2 4.36Å; F159-Y186 AromaticContact CE2-CE2 3.84Å; F159-Y186 HydrophobicContact CE2-CE2 3.84Å; F162-Y186 HydrophobicContact CB-CD2 3.98Å; F162-Y186 HydrophobicContact CB-CE2 4.36Å; F162-Y186 AromaticContact CD1-CD2 3.94Å; F162-Y186 HydrophobicContact CD1-CD2 3.94Å; F162-Y186 HydrophobicContact CD1-CG 4.44Å; F162-Y186 AromaticContact CD2-CD2 3.95Å; F162-Y186 HydrophobicContact CD2-CD2 3.95Å; F162-Y186 HydrophobicContact CE1-CD2 4.37Å; F162-Y186 HydrophobicContact CE2-CD2 4.36Å; F162-Y186 AromaticContact CG-CD2 3.71Å; F162-Y186 HydrophobicContact CG-CD2 3.71Å; F162-Y186 HydrophobicContact CG-CE2 4.48Å; Y166-Y186 HydrophobicContact CE2-CD1 4.42Å; Y166-Y186 HydrophobicContact CE2-CD2 4.03Å; Y166-Y186 AromaticContact CE2-CG 3.86Å; Y166-Y186 HydrophobicContact CE2-CG 3.86Å; Y166-Y186 WeakPolarHBondContact OH-CB 3.07Å; V182-Y186 WeakPolarHBondContact O-CB 3.41Å; V182-Y186 PolarHBondContact O-N 2.91Å; N183-Y186 PolarHBondContact O-N 2.89Å; Y186-H188 PolarHBondContact O-N 3.14Å; Y186-F189 WeakPolarHBondContact O-CB 3.41Å; Y186-F189 PolarHBondContact O-N 3.17Å; Y186-Y190 WeakPolarHBondContact O-CB 3.49Å; Y186-Y190 PolarHBondContact O-N 2.53Å; Y186-L207 HydrophobicContact CD2-CD1 4.36Å; Y186-L207 HydrophobicContact CE2-CD1 3.59Å; Y186-M210 HydrophobicContact CD1-CE 3.87Å; Y186-M210 HydrophobicContact CE1-CE 3.56Å; Y186-M210 HydrophobicContact CE2-CE 4.31Å; Y186-M210 HydrophobicContact CG-CE 4.37Å; Y186-T211 PolarHBondContact OH-OG1 3.1Å; Y186-M214 HydrophobicContact CD1-CE 3.97Å; Y186-M214 HydrophobicContact CD1-SD 4.34Å
187K95.1Very high94.2Very high65 Ų6541.8 Ų41.828%0.28323%0.232SC..Hα-helixtrans-58.5-47.8176.4-73.4-177.9-176.4-159.90111.4L44 N183 T184 F189 Y190 Y191 M214L44-K187 HydrophobicContact CD1-CB 3.62Å; L44-K187 HydrophobicContact CD1-CD 4.33Å; N183-K187 WeakPolarHBondContact O-CB 3.23Å; N183-K187 VanDerWaalsContact O-CG 3.31Å; N183-K187 WeakPolarHBondContact O-CG 3.27Å; N183-K187 PolarHBondContact O-N 3.29Å; T184-K187 PolarHBondContact O-N 3.19Å; K187-F189 VanDerWaalsContact C-N 3.34Å; K187-F189 PolarHBondContact O-N 2.94Å; K187-Y190 PolarHBondContact O-N 3.04Å; K187-Y191 HydrophobicContact CB-CE2 4.49Å; K187-Y191 WeakPolarHBondContact O-CD2 3.22Å; K187-Y191 PolarHBondContact O-N 3.4Å; K187-M214 WeakPolarHBondContact CE-O 3.3Å; K187-M214 HydrophobicContact CG-CE 4.06Å; K187-M214 PolarHBondContact NZ-O 3.24Å
188H95.9Very high94.6Very high2 Ų239.4 Ų39.41%0.00921%0.206CC..Hα-helixtrans-59.1-46.5177-178.2-140.3000111.3V48 H63 F67 R70 T184 Y186 F192V48-H188 VanDerWaalsContact CG1-CD2 3.43Å; V48-H188 WeakPolarHBondContact CG1-CD2 3.15Å; H63-H188 AromaticContact CD2-CE1 3.86Å; H63-H188 AromaticContact CD2-NE2 3.83Å; H63-H188 AromaticContact NE2-NE2 3.81Å; F67-H188 HydrophobicContact CE1-CB 4.23Å; F67-H188 AromaticContact CE1-CE1 3.8Å; F67-H188 AromaticContact CE1-CG 3.8Å; F67-H188 AromaticContact CE1-ND1 3.26Å; F67-H188 VanDerWaalsContact CE1-ND1 3.26Å; F67-H188 WeakPolarHBondContact CE1-ND1 3.28Å; F67-H188 AromaticContact CZ-CE1 3.66Å; F67-H188 AromaticContact CZ-CG 3.92Å; F67-H188 AromaticContact CZ-ND1 3.54Å; R70-H188 PolarHBondContact NH1-ND1 2.89Å; T184-H188 WeakPolarHBondContact O-CB 3.32Å; T184-H188 PolarHBondContact O-N 3.01Å; Y186-H188 PolarHBondContact O-N 3.14Å; H188-F192 VanDerWaalsContact O-CB 3.32Å; H188-F192 WeakPolarHBondContact O-CB 3.13Å; H188-F192 PolarHBondContact O-N 3.19Å
189F97.6Very high94.8Very high0 Ų039.1 Ų39.10%020%0.203CC..Hα-helixtrans-59.1-50.2175.7179.3-84.3000111.8F67 I71 L155 L158 F159 F162 C185 Y186 K187 Y191 F192 V193F67-F189 HydrophobicContact CB-CD2 4.2Å; F67-F189 HydrophobicContact CD1-CB 4.02Å; F67-F189 AromaticContact CD1-CD2 3.9Å; F67-F189 HydrophobicContact CD1-CD2 3.9Å; F67-F189 HydrophobicContact CD1-CG 4.48Å; F67-F189 AromaticContact CD2-CD2 3.97Å; F67-F189 HydrophobicContact CD2-CD2 3.97Å; F67-F189 VanDerWaalsContact CE1-CA 3.43Å; F67-F189 HydrophobicContact CE1-CB 3.72Å; F67-F189 HydrophobicContact CE1-CD2 4.27Å; F67-F189 HydrophobicContact CE1-CG 4.49Å; F67-F189 HydrophobicContact CE2-CD2 4.34Å; F67-F189 AromaticContact CG-CD2 3.77Å; F67-F189 HydrophobicContact CG-CD2 3.77Å; F67-F189 VanDerWaalsContact CZ-CA 3.44Å; F67-F189 HydrophobicContact CZ-CB 4.16Å; I71-F189 HydrophobicContact CD1-CD2 4.09Å; I71-F189 HydrophobicContact CD1-CE2 4.32Å; L155-F189 HydrophobicContact CB-CE2 4.36Å; L155-F189 HydrophobicContact CB-CZ 4.21Å; L155-F189 HydrophobicContact CD2-CD2 4.37Å; L155-F189 HydrophobicContact CD2-CE2 3.61Å; L155-F189 HydrophobicContact CD2-CZ 4.26Å; L155-F189 WeakPolarHBondContact O-CZ 3.09Å; L158-F189 HydrophobicContact CB-CE2 4.12Å; F159-F189 HydrophobicContact CB-CE1 3.99Å; F159-F189 HydrophobicContact CB-CZ 4.09Å; F159-F189 AromaticContact CD2-CE1 3.93Å; F159-F189 HydrophobicContact CD2-CE1 3.93Å; F159-F189 HydrophobicContact CG-CE1 4.45Å; F162-F189 HydrophobicContact CD2-CD1 4.36Å; F162-F189 HydrophobicContact CD2-CG 4.41Å; F162-F189 HydrophobicContact CE2-CB 3.84Å; F162-F189 HydrophobicContact CE2-CD1 4.08Å; F162-F189 HydrophobicContact CE2-CD2 4.02Å; F162-F189 AromaticContact CE2-CG 3.71Å; F162-F189 HydrophobicContact CE2-CG 3.71Å; F162-F189 HydrophobicContact CZ-CB 4.27Å; C185-F189 VanDerWaalsContact O-CB 3.29Å; C185-F189 WeakPolarHBondContact O-CB 3.45Å; C185-F189 PolarHBondContact O-N 3.39Å; Y186-F189 WeakPolarHBondContact O-CB 3.41Å; Y186-F189 PolarHBondContact O-N 3.17Å; K187-F189 VanDerWaalsContact C-N 3.34Å; K187-F189 PolarHBondContact O-N 2.94Å; F189-Y191 PolarHBondContact O-N 2.99Å; F189-F192 PolarHBondContact O-N 3.21Å; F189-V193 HydrophobicContact CD1-CG1 4.14Å; F189-V193 HydrophobicContact CD1-CG2 4.27Å; F189-V193 HydrophobicContact CD2-CG1 4.44Å; F189-V193 HydrophobicContact CE1-CB 4.47Å; F189-V193 HydrophobicContact CE1-CG1 3.67Å; F189-V193 HydrophobicContact CE1-CG2 3.99Å; F189-V193 HydrophobicContact CE2-CG1 4.04Å; F189-V193 HydrophobicContact CG-CG1 4.49Å; F189-V193 HydrophobicContact CZ-CG1 3.61Å; F189-V193 WeakPolarHBondContact O-CG1 3.27Å; F189-V193 WeakPolarHBondContact O-CG2 3.12Å; F189-V193 PolarHBondContact O-N 3.25Å
190Y97.1Very high94.9Very high38 Ų3839.8 Ų39.815%0.14921%0.209CC..Hα-helixtrans-60.3-48.4-177.6177-100.5000111.8Y186 K187 F192 V193 T194 L204 T211 C215Y186-Y190 WeakPolarHBondContact O-CB 3.49Å; Y186-Y190 PolarHBondContact O-N 2.53Å; K187-Y190 PolarHBondContact O-N 3.04Å; Y190-F192 VanDerWaalsContact C-N 3.33Å; Y190-F192 PolarHBondContact O-N 2.8Å; Y190-V193 WeakPolarHBondContact O-CG2 3.2Å; Y190-V193 PolarHBondContact O-N 3.43Å; Y190-T194 HydrophobicContact CD2-CG2 4.18Å; Y190-T194 HydrophobicContact CE1-CG2 4.23Å; Y190-T194 HydrophobicContact CE2-CG2 3.75Å; Y190-T194 WeakPolarHBondContact O-CB 3.33Å; Y190-T194 WeakPolarHBondContact O-CG2 3.35Å; Y190-T194 PolarHBondContact O-N 3.03Å; Y190-T194 PolarHBondContact O-OG1 3.34Å; Y190-L204 HydrophobicContact CD2-CD1 4.42Å; Y190-L204 HydrophobicContact CE2-CD1 4Å; Y190-T211 HydrophobicContact CD1-CG2 3.79Å; Y190-T211 HydrophobicContact CD2-CG2 3.71Å; Y190-T211 HydrophobicContact CE1-CG2 3.51Å; Y190-T211 HydrophobicContact CE2-CG2 3.43Å; Y190-T211 VanDerWaalsContact CE2-CG2 3.43Å; Y190-T211 HydrophobicContact CG-CG2 3.88Å; Y190-C215 HydrophobicContact CD1-CB 4.28Å; Y190-C215 HydrophobicContact CE1-CB 4.29Å
191Y96.4Very high95Very high26 Ų2642.8 Ų42.810%0.10221%0.212CC..Hα-helixtrans-63.1-40.6176.7-65.4-35.2000111.9L44 K45 K187 F189 T194 E195 C215L44-Y191 HydrophobicContact CB-CD2 3.56Å; L44-Y191 HydrophobicContact CB-CE2 3.78Å; L44-Y191 HydrophobicContact CD1-CE2 4.41Å; K45-Y191 HydrophobicContact CD-CE1 4.29Å; K45-Y191 HydrophobicContact CG-CD1 3.94Å; K45-Y191 HydrophobicContact CG-CD2 3.88Å; K45-Y191 HydrophobicContact CG-CE1 3.91Å; K45-Y191 HydrophobicContact CG-CE2 3.84Å; K45-Y191 HydrophobicContact CG-CG 3.93Å; K187-Y191 HydrophobicContact CB-CE2 4.49Å; K187-Y191 WeakPolarHBondContact O-CD2 3.22Å; K187-Y191 PolarHBondContact O-N 3.4Å; F189-Y191 PolarHBondContact O-N 2.99Å; Y191-T194 WeakPolarHBondContact CA-OG1 3.34Å; Y191-T194 PolarHBondContact O-N 3.28Å; Y191-T194 PolarHBondContact O-OG1 2.86Å; Y191-T194 VanDerWaalsContact O-OG1 3.13Å; Y191-E195 WeakPolarHBondContact O-CB 3.33Å; Y191-E195 PolarHBondContact O-N 3.28Å; Y191-C215 HydrophobicContact CE1-CB 3.77Å; Y191-C215 WeakPolarHBondContact OH-CA 3.32Å; Y191-C215 WeakPolarHBondContact OH-CB 3.43Å; Y191-C215 PolarHBondContact OH-O 3.25Å
192F97.8Very high95.1Very high0 Ų044.1 Ų44.10%022%0.216CC..Hα-helixtrans-63.7-47.7178.2-171.5-94.2000112.7V48 W59 V60 H63 F67 H188 F189 Y190 T194 F196 L198V48-F192 HydrophobicContact CB-CB 4.3Å; V48-F192 HydrophobicContact CB-CD2 3.98Å; V48-F192 HydrophobicContact CG1-CB 3.88Å; V48-F192 HydrophobicContact CG1-CD2 4.14Å; W59-F192 AromaticContact CD1-CE2 3.85Å; W59-F192 AromaticContact NE1-CE2 3.67Å; V60-F192 HydrophobicContact CB-CZ 4.4Å; V60-F192 HydrophobicContact CG2-CE1 4.35Å; V60-F192 HydrophobicContact CG2-CZ 3.96Å; H63-F192 HydrophobicContact CB-CD1 4.06Å; H63-F192 HydrophobicContact CB-CD2 4.11Å; H63-F192 HydrophobicContact CB-CE1 3.56Å; H63-F192 HydrophobicContact CB-CE2 3.64Å; H63-F192 HydrophobicContact CB-CG 4.32Å; H63-F192 HydrophobicContact CB-CZ 3.37Å; H63-F192 AromaticContact CD2-CD2 3.35Å; H63-F192 WeakPolarHBondContact CD2-CD2 3.45Å; H63-F192 AromaticContact CD2-CE2 3.42Å; H63-F192 VanDerWaalsContact CD2-CE2 3.42Å; H63-F192 WeakPolarHBondContact CD2-CE2 3.44Å; H63-F192 AromaticContact CD2-CG 4Å; H63-F192 AromaticContact CE1-CE2 3.84Å; H63-F192 AromaticContact CG-CD2 3.57Å; H63-F192 AromaticContact CG-CE2 3.15Å; H63-F192 AromaticContact CG-CZ 3.44Å; H63-F192 VanDerWaalsContact CG-CZ 3.44Å; H63-F192 AromaticContact ND1-CE2 3.42Å; H63-F192 WeakPolarHBondContact ND1-CE2 3.38Å; H63-F192 AromaticContact ND1-CZ 3.82Å; H63-F192 AromaticContact NE2-CD2 3.89Å; H63-F192 AromaticContact NE2-CE2 3.87Å; F67-F192 HydrophobicContact CE2-CB 3.79Å; F67-F192 AromaticContact CE2-CD1 3.67Å; F67-F192 HydrophobicContact CE2-CD1 3.67Å; F67-F192 HydrophobicContact CE2-CE1 4.45Å; F67-F192 AromaticContact CE2-CG 3.73Å; F67-F192 HydrophobicContact CE2-CG 3.73Å; F67-F192 HydrophobicContact CZ-CB 3.81Å; F67-F192 HydrophobicContact CZ-CG 4.17Å; H188-F192 VanDerWaalsContact O-CB 3.32Å; H188-F192 WeakPolarHBondContact O-CB 3.13Å; H188-F192 PolarHBondContact O-N 3.19Å; F189-F192 PolarHBondContact O-N 3.21Å; Y190-F192 VanDerWaalsContact C-N 3.33Å; Y190-F192 PolarHBondContact O-N 2.8Å; F192-T194 VanDerWaalsContact C-N 3.29Å; F192-T194 PolarHBondContact O-N 3.13Å; F192-F196 HydrophobicContact CD2-CD2 4.11Å; F192-F196 AromaticContact CD2-CE2 3.87Å; F192-F196 HydrophobicContact CD2-CE2 3.87Å; F192-F196 HydrophobicContact CE1-CD2 4.24Å; F192-F196 AromaticContact CE2-CD2 3.75Å; F192-F196 HydrophobicContact CE2-CD2 3.75Å; F192-F196 AromaticContact CE2-CE2 3.43Å; F192-F196 HydrophobicContact CE2-CE2 3.43Å; F192-F196 VanDerWaalsContact CE2-CE2 3.43Å; F192-F196 HydrophobicContact CG-CD2 4.47Å; F192-F196 AromaticContact CZ-CD2 3.79Å; F192-F196 HydrophobicContact CZ-CD2 3.79Å; F192-F196 AromaticContact CZ-CE2 3.89Å; F192-F196 HydrophobicContact CZ-CE2 3.89Å; F192-F196 WeakPolarHBondContact O-CD2 3.28Å; F192-F196 PolarHBondContact O-N 2.93Å; F192-L198 HydrophobicContact CD1-CD1 3.86Å; F192-L198 HydrophobicContact CE1-CD1 3.41Å; F192-L198 VanDerWaalsContact CE1-CD1 3.41Å; F192-L198 HydrophobicContact CZ-CD1 4.27Å
193V97.8Very high94.9Very high0 Ų047.2 Ų47.20%023%0.23CC..Hα-helixtrans-70.5-27.6-178.5-59.20000112.8L155 F189 Y190 N197 L198L155-V193 HydrophobicContact CB-CG1 4.17Å; L155-V193 HydrophobicContact CD1-CG1 4.24Å; L155-V193 HydrophobicContact CD2-CG1 4.22Å; L155-V193 HydrophobicContact CG-CG1 4.43Å; F189-V193 HydrophobicContact CD1-CG1 4.14Å; F189-V193 HydrophobicContact CD1-CG2 4.27Å; F189-V193 HydrophobicContact CD2-CG1 4.44Å; F189-V193 HydrophobicContact CE1-CB 4.47Å; F189-V193 HydrophobicContact CE1-CG1 3.67Å; F189-V193 HydrophobicContact CE1-CG2 3.99Å; F189-V193 HydrophobicContact CE2-CG1 4.04Å; F189-V193 HydrophobicContact CG-CG1 4.49Å; F189-V193 HydrophobicContact CZ-CG1 3.61Å; F189-V193 WeakPolarHBondContact O-CG1 3.27Å; F189-V193 WeakPolarHBondContact O-CG2 3.12Å; F189-V193 PolarHBondContact O-N 3.25Å; Y190-V193 WeakPolarHBondContact O-CG2 3.2Å; Y190-V193 PolarHBondContact O-N 3.43Å; V193-N197 CarbonylContact O-C 3.23Å; V193-N197 WeakPolarHBondContact O-CA 3.42Å; V193-N197 PolarHBondContact O-N 3.45Å; V193-L198 HydrophobicContact CB-CB 4.22Å; V193-L198 HydrophobicContact CG1-CB 4.41Å; V193-L198 PolarHBondContact O-N 3.44Å
194T96.1Very high95Very high50 Ų5045.8 Ų45.831%0.30722%0.223SC..Hα-helixtrans-80-40.6176.750.80000112.2Y190 Y191 F192 F196 N197 L204Y190-T194 HydrophobicContact CD2-CG2 4.18Å; Y190-T194 HydrophobicContact CE1-CG2 4.23Å; Y190-T194 HydrophobicContact CE2-CG2 3.75Å; Y190-T194 WeakPolarHBondContact O-CB 3.33Å; Y190-T194 WeakPolarHBondContact O-CG2 3.35Å; Y190-T194 PolarHBondContact O-N 3.03Å; Y190-T194 PolarHBondContact O-OG1 3.34Å; Y191-T194 WeakPolarHBondContact CA-OG1 3.34Å; Y191-T194 PolarHBondContact O-N 3.28Å; Y191-T194 PolarHBondContact O-OG1 2.86Å; Y191-T194 VanDerWaalsContact O-OG1 3.13Å; F192-T194 VanDerWaalsContact C-N 3.29Å; F192-T194 PolarHBondContact O-N 3.13Å; T194-F196 VanDerWaalsContact C-N 3.28Å; T194-F196 PolarHBondContact O-N 3.13Å; T194-N197 PolarHBondContact O-N 3.17Å; T194-L204 HydrophobicContact CG2-CD1 4.15Å
195E96.6Very high95.1Very high97 Ų9746.4 Ų46.445%0.45322%0.221SC..Hα-helixtrans-53.7-44.5176.4-179.864.6-167.800111.9V48 Y191V48-E195 HydrophobicContact CG2-CB 4.28Å; V48-E195 HydrophobicContact CG2-CG 4.45Å; Y191-E195 WeakPolarHBondContact O-CB 3.33Å; Y191-E195 PolarHBondContact O-N 3.28Å
196F97.3Very high95Very high41 Ų4147.3 Ų47.318%0.1823%0.227CC..THydrogen-bonded Turntrans-105.511.7-175.8-58.1-67.5000114.1V48 L50 L56 W59 F192 T194 L198V48-F196 VanDerWaalsContact O-CE2 3.27Å; V48-F196 WeakPolarHBondContact O-CE2 3.23Å; V48-F196 WeakPolarHBondContact O-CZ 3.29Å; L50-F196 HydrophobicContact CB-CE1 4.1Å; L50-F196 HydrophobicContact CB-CZ 4.06Å; L56-F196 HydrophobicContact CD1-CD1 3.51Å; L56-F196 HydrophobicContact CD1-CE1 3.57Å; L56-F196 HydrophobicContact CD1-CG 4.2Å; L56-F196 HydrophobicContact CD1-CZ 4.31Å; W59-F196 AromaticContact CD1-CE2 3.73Å; W59-F196 AromaticContact CD1-CZ 3.59Å; W59-F196 AromaticContact NE1-CE2 3.77Å; W59-F196 AromaticContact NE1-CZ 3.75Å; F192-F196 HydrophobicContact CD2-CD2 4.11Å; F192-F196 AromaticContact CD2-CE2 3.87Å; F192-F196 HydrophobicContact CD2-CE2 3.87Å; F192-F196 HydrophobicContact CE1-CD2 4.24Å; F192-F196 AromaticContact CE2-CD2 3.75Å; F192-F196 HydrophobicContact CE2-CD2 3.75Å; F192-F196 AromaticContact CE2-CE2 3.43Å; F192-F196 HydrophobicContact CE2-CE2 3.43Å; F192-F196 VanDerWaalsContact CE2-CE2 3.43Å; F192-F196 HydrophobicContact CG-CD2 4.47Å; F192-F196 AromaticContact CZ-CD2 3.79Å; F192-F196 HydrophobicContact CZ-CD2 3.79Å; F192-F196 AromaticContact CZ-CE2 3.89Å; F192-F196 HydrophobicContact CZ-CE2 3.89Å; F192-F196 WeakPolarHBondContact O-CD2 3.28Å; F192-F196 PolarHBondContact O-N 2.93Å; T194-F196 VanDerWaalsContact C-N 3.28Å; T194-F196 PolarHBondContact O-N 3.13Å; F196-L198 VanDerWaalsContact C-N 3.32Å; F196-L198 HydrophobicContact CB-CD1 3.8Å; F196-L198 HydrophobicContact CB-CD2 4.05Å; F196-L198 HydrophobicContact CB-CG 3.65Å; F196-L198 HydrophobicContact CD2-CD1 4.46Å; F196-L198 PolarHBondContact O-N 3.09Å
197N96.3Very high94.9Very high99 Ų9947.7 Ų47.753%0.52923%0.229SC..THydrogen-bonded Turntrans48.550.9-178.6-169.217.1000113K152 V193 T194K152-N197 VanDerWaalsContact CE-O 3.32Å; K152-N197 WeakPolarHBondContact CE-O 3.4Å; K152-N197 PolarHBondContact NZ-O 3.05Å; V193-N197 CarbonylContact O-C 3.23Å; V193-N197 WeakPolarHBondContact O-CA 3.42Å; V193-N197 PolarHBondContact O-N 3.45Å; T194-N197 PolarHBondContact O-N 3.17Å
198L96.9Very high94.8Very high4 Ų449.9 Ų49.92%0.02124%0.238CC..  trans-93.6-4.1-174-58.3175.7000113.5V60 M148 K152 L155 F192 V193 F196V60-L198 HydrophobicContact CG1-CD1 4.24Å; V60-L198 HydrophobicContact CG2-CD1 4.19Å; M148-L198 HydrophobicContact SD-CD2 3.34Å; M148-L198 WeakPolarHBondContact SD-CD2 3.34Å; K152-L198 HydrophobicContact CG-CB 4.33Å; K152-L198 HydrophobicContact CG-CD2 4.07Å; K152-L198 WeakPolarHBondContact CG-O 3.44Å; L155-L198 HydrophobicContact CD1-CB 3.7Å; L155-L198 HydrophobicContact CD1-CD1 3.55Å; L155-L198 HydrophobicContact CD1-CG 4.18Å; F192-L198 HydrophobicContact CD1-CD1 3.86Å; F192-L198 HydrophobicContact CE1-CD1 3.41Å; F192-L198 VanDerWaalsContact CE1-CD1 3.41Å; F192-L198 HydrophobicContact CZ-CD1 4.27Å; V193-L198 HydrophobicContact CB-CB 4.22Å; V193-L198 HydrophobicContact CG1-CB 4.41Å; V193-L198 PolarHBondContact O-N 3.44Å; F196-L198 VanDerWaalsContact C-N 3.32Å; F196-L198 HydrophobicContact CB-CD1 3.8Å; F196-L198 HydrophobicContact CB-CD2 4.05Å; F196-L198 HydrophobicContact CB-CG 3.65Å; F196-L198 HydrophobicContact CD2-CD1 4.46Å; F196-L198 PolarHBondContact O-N 3.09Å
199T94Very high94.5Very high7 Ų756.9 Ų56.94%0.04327%0.271CS..SBendtrans-145.8135.3177.1-59.70000108.5E203 L204T199-E203 HydrophobicContact CG2-CB 3.83Å; T199-L204 HydrophobicContact CG2-CD2 3.79Å; T199-L204 HydrophobicContact CG2-CG 4.01Å
200D91.1Very high94.2Very high90 Ų9058.9 Ų58.948%0.48128%0.281SS..  trans-63.7137.1176.5-171.3-30.3000109.7K202 E203 L204D200-K202 PolarHBondContact O-N 2.95Å; D200-K202 VanDerWaalsContact O-N 3.11Å; D200-K202 PolarHBondContact OD1-N 3.14Å; D200-E203 HydrophobicContact CB-CG 4.35Å; D200-E203 WeakPolarHBondContact O-CB 3.4Å; D200-E203 PolarHBondContact O-N 3.05Å; D200-L204 PolarHBondContact O-N 2.82Å
201H89.4Confident93.9Very high127 Ų12757.3 Ų57.359%0.58828%0.275SS*.Hα-helixtrans-51.9-33.2174.9-74.6-74000113E203 L204 E205H201-E203 VanDerWaalsContact C-N 3.32Å; H201-E203 PolarHBondContact O-N 3.12Å; H201-L204 PolarHBondContact O-N 3.26Å; H201-L204 VanDerWaalsContact O-N 3.12Å; H201-E205 PolarHBondContact O-N 2.94Å
202K90.3Very high93.6Very high166 Ų16658.4 Ų58.472%0.72229%0.289SS*.Hα-helixtrans-63.9-35.5176.2-67.4179-178.5175.40112.9D200 L204 E205D200-K202 PolarHBondContact O-N 2.95Å; D200-K202 VanDerWaalsContact O-N 3.11Å; D200-K202 PolarHBondContact OD1-N 3.14Å; K202-L204 PolarHBondContact O-N 3.16Å; K202-E205 WeakPolarHBondContact O-CB 3.32Å; K202-E205 PolarHBondContact O-N 3.32Å
203E90.6Very high93Very high69 Ų6968 Ų6832%0.32233%0.326SS..Hα-helixtrans-70.4-23176.6-65.8-79.213700111.2F159 R160 T199 D200 H201 P206F159-E203 WeakPolarHBondContact CD1-O 3.29Å; F159-E203 WeakPolarHBondContact CE1-O 3.45Å; R160-E203 IonicContact CZ-OE2 3.37Å; R160-E203 IonicContact NE-OE2 2.76Å; R160-E203 IonicContact NH2-OE2 3.13Å; R160-E203 PolarHBondContact NH2-OE2 3.32Å; R160-E203 VanDerWaalsContact NH2-OE2 3.08Å; T199-E203 HydrophobicContact CG2-CB 3.83Å; D200-E203 HydrophobicContact CB-CG 4.35Å; D200-E203 WeakPolarHBondContact O-CB 3.4Å; D200-E203 PolarHBondContact O-N 3.05Å; H201-E203 VanDerWaalsContact C-N 3.32Å; H201-E203 PolarHBondContact O-N 3.12Å; E203-P206 VanDerWaalsContact O-CD 3.24Å; E203-P206 WeakPolarHBondContact O-CD 3.43Å
204L94.3Very high92.3Very high10 Ų1069.4 Ų69.45%0.05233%0.333CS..Hα-helixtrans-84.6-13.8-179.7-59.3176.1000113.7F159 Y190 T194 T199 D200 H201 K202 P206 L207 K208F159-L204 HydrophobicContact CD1-CD2 4.4Å; F159-L204 HydrophobicContact CD2-CD2 3.66Å; F159-L204 HydrophobicContact CE1-CD2 4.3Å; F159-L204 HydrophobicContact CE2-CD2 3.48Å; F159-L204 VanDerWaalsContact CE2-CD2 3.48Å; F159-L204 HydrophobicContact CG-CD2 4.11Å; F159-L204 HydrophobicContact CZ-CB 4.39Å; F159-L204 HydrophobicContact CZ-CD2 3.84Å; Y190-L204 HydrophobicContact CD2-CD1 4.42Å; Y190-L204 HydrophobicContact CE2-CD1 4Å; T194-L204 HydrophobicContact CG2-CD1 4.15Å; T199-L204 HydrophobicContact CG2-CD2 3.79Å; T199-L204 HydrophobicContact CG2-CG 4.01Å; D200-L204 PolarHBondContact O-N 2.82Å; H201-L204 PolarHBondContact O-N 3.26Å; H201-L204 VanDerWaalsContact O-N 3.12Å; K202-L204 PolarHBondContact O-N 3.16Å; L204-P206 VanDerWaalsContact C-N 3.34Å; L204-L207 PolarHBondContact O-N 3.29Å; L204-K208 PolarHBondContact O-N 3.31Å
205E94.4Very high91.6Very high81 Ų8167.4 Ų67.438%0.37932%0.321SS..G310 helixtrans-52.8-37.6-177.8-163.768.9-162.400114.7Y96 H201 K202 L207 K208Y96-E205 WeakPolarHBondContact OH-CG 3.4Å; H201-E205 PolarHBondContact O-N 2.94Å; K202-E205 WeakPolarHBondContact O-CB 3.32Å; K202-E205 PolarHBondContact O-N 3.32Å; E205-L207 PolarHBondContact O-N 3.16Å; E205-K208 VanDerWaalsContact CD-CD 3.42Å; E205-K208 VanDerWaalsContact CD-NZ 3.34Å; E205-K208 WeakPolarHBondContact O-CB 3.44Å; E205-K208 PolarHBondContact O-N 2.92Å; E205-K208 VanDerWaalsContact O-N 3.13Å; E205-K208 WeakPolarHBondContact OE1-CD 3.43Å; E205-K208 IonicContact OE1-NZ 2.75Å; E205-K208 PolarHBondContact OE1-NZ 3.14Å; E205-K208 VanDerWaalsContact OE2-CD 3.24Å; E205-K208 WeakPolarHBondContact OE2-CD 3.33Å; E205-K208 IonicContact OE2-NZ 2.8Å; E205-K208 PolarHBondContact OE2-NZ 3.06Å
206P94.5Very high90.4Very high22 Ų2270.9 Ų70.914%0.14334%0.336CS..G310 helixtrans-56.6-25.5-179.5-26.534.8000115.3Y96 V163 E203 L204Y96-P206 HydrophobicContact CD1-CG 4.05Å; Y96-P206 HydrophobicContact CD2-CB 3.82Å; Y96-P206 HydrophobicContact CD2-CG 3.78Å; Y96-P206 HydrophobicContact CE1-CG 4.04Å; Y96-P206 HydrophobicContact CE2-CB 3.82Å; Y96-P206 HydrophobicContact CE2-CG 3.76Å; Y96-P206 HydrophobicContact CG-CB 4.4Å; Y96-P206 HydrophobicContact CG-CG 3.92Å; V163-P206 HydrophobicContact CG1-CB 3.66Å; V163-P206 HydrophobicContact CG2-CB 3.99Å; V163-P206 HydrophobicContact CG2-CG 4.48Å; E203-P206 VanDerWaalsContact O-CD 3.24Å; E203-P206 WeakPolarHBondContact O-CD 3.43Å; L204-P206 VanDerWaalsContact C-N 3.34Å
207L94Very high90Very high7 Ų772.4 Ų72.44%0.03734%0.344CS..G310 helixtrans-1144.6-179.7-68.4179.4000113.7F159 F162 V163 Y166 Y186 L204 E205 E209 M210 T211F159-L207 HydrophobicContact CE2-CD1 3.93Å; F159-L207 HydrophobicContact CZ-CB 4.01Å; F159-L207 HydrophobicContact CZ-CD1 3.85Å; F159-L207 HydrophobicContact CZ-CG 4.05Å; F162-L207 HydrophobicContact CB-CD1 4.07Å; V163-L207 HydrophobicContact CB-CG 4.49Å; V163-L207 HydrophobicContact CG2-CD1 3.99Å; V163-L207 HydrophobicContact CG2-CG 4.02Å; Y166-L207 HydrophobicContact CD2-CD1 4.04Å; Y166-L207 HydrophobicContact CD2-CD2 4.44Å; Y166-L207 HydrophobicContact CG-CD2 4.47Å; Y186-L207 HydrophobicContact CD2-CD1 4.36Å; Y186-L207 HydrophobicContact CE2-CD1 3.59Å; L204-L207 PolarHBondContact O-N 3.29Å; E205-L207 PolarHBondContact O-N 3.16Å; L207-E209 VanDerWaalsContact C-N 3.35Å; L207-E209 PolarHBondContact O-N 3.03Å; L207-E209 VanDerWaalsContact O-N 3.17Å; L207-M210 HydrophobicContact CB-CE 4.09Å; L207-M210 HydrophobicContact CD1-CE 3.88Å; L207-M210 HydrophobicContact CD2-CE 3.91Å; L207-M210 HydrophobicContact CD2-SD 4.26Å; L207-M210 HydrophobicContact CG-CE 4.17Å; L207-M210 CarbonylContact O-C 3.39Å; L207-M210 WeakPolarHBondContact O-CA 3.49Å; L207-M210 WeakPolarHBondContact O-CB 2.97Å; L207-M210 PolarHBondContact O-N 3.38Å; L207-T211 PolarHBondContact O-N 3.41Å; L207-T211 PolarHBondContact O-OG1 3.02Å
208K93Very high89.7Confident112 Ų11270.9 Ų70.949%0.48734%0.335SS..Hα-helixtrans-49.6-46.8-171.3176.3176.5178.6175.50115L204 E205 M210 T211 A212L204-K208 PolarHBondContact O-N 3.31Å; E205-K208 VanDerWaalsContact CD-CD 3.42Å; E205-K208 VanDerWaalsContact CD-NZ 3.34Å; E205-K208 WeakPolarHBondContact O-CB 3.44Å; E205-K208 PolarHBondContact O-N 2.92Å; E205-K208 VanDerWaalsContact O-N 3.13Å; E205-K208 WeakPolarHBondContact OE1-CD 3.43Å; E205-K208 IonicContact OE1-NZ 2.75Å; E205-K208 PolarHBondContact OE1-NZ 3.14Å; E205-K208 VanDerWaalsContact OE2-CD 3.24Å; E205-K208 WeakPolarHBondContact OE2-CD 3.33Å; E205-K208 IonicContact OE2-NZ 2.8Å; E205-K208 PolarHBondContact OE2-NZ 3.06Å; K208-M210 VanDerWaalsContact C-N 3.33Å; K208-M210 PolarHBondContact O-N 3.05Å; K208-T211 WeakPolarHBondContact O-CB 3.26Å; K208-T211 PolarHBondContact O-N 3.3Å; K208-A212 WeakPolarHBondContact O-CB 3.46Å; K208-A212 PolarHBondContact O-N 3.34Å
209E90Very high89.3Confident148 Ų14874.7 Ų74.769%0.69235%0.352SS*.Hα-helixtrans-64.3-40179.5-67.5-177-171.900111.9L207 A212 R213L207-E209 VanDerWaalsContact C-N 3.35Å; L207-E209 PolarHBondContact O-N 3.03Å; L207-E209 VanDerWaalsContact O-N 3.17Å; E209-A212 PolarHBondContact O-N 3.35Å; E209-R213 WeakPolarHBondContact O-CG 3.21Å; E209-R213 PolarHBondContact O-N 3.04Å
210M89.7Confident89Confident42 Ų4278.6 Ų78.621%0.20737%0.37CS..Hα-helixtrans-68.4-44.1176.6-174.5-166.875.500110.7Y166 Y186 L207 K208 A212 R213 M214Y166-M210 HydrophobicContact CD1-CE 4.05Å; Y166-M210 HydrophobicContact CD1-SD 3.3Å; Y166-M210 WeakPolarHBondContact CD1-SD 3.41Å; Y166-M210 HydrophobicContact CD2-CE 3.59Å; Y166-M210 HydrophobicContact CD2-SD 3.94Å; Y166-M210 HydrophobicContact CE1-CE 3.97Å; Y166-M210 HydrophobicContact CE1-SD 3.49Å; Y166-M210 WeakPolarHBondContact CE1-SD 3.44Å; Y166-M210 HydrophobicContact CE2-CE 3.52Å; Y166-M210 HydrophobicContact CE2-SD 4.12Å; Y166-M210 HydrophobicContact CG-CE 3.86Å; Y166-M210 HydrophobicContact CG-SD 3.53Å; Y166-M210 VanDerWaalsContact CG-SD 3.53Å; Y186-M210 HydrophobicContact CD1-CE 3.87Å; Y186-M210 HydrophobicContact CE1-CE 3.56Å; Y186-M210 HydrophobicContact CE2-CE 4.31Å; Y186-M210 HydrophobicContact CG-CE 4.37Å; L207-M210 HydrophobicContact CB-CE 4.09Å; L207-M210 HydrophobicContact CD1-CE 3.88Å; L207-M210 HydrophobicContact CD2-CE 3.91Å; L207-M210 HydrophobicContact CD2-SD 4.26Å; L207-M210 HydrophobicContact CG-CE 4.17Å; L207-M210 CarbonylContact O-C 3.39Å; L207-M210 WeakPolarHBondContact O-CA 3.49Å; L207-M210 WeakPolarHBondContact O-CB 2.97Å; L207-M210 PolarHBondContact O-N 3.38Å; K208-M210 VanDerWaalsContact C-N 3.33Å; K208-M210 PolarHBondContact O-N 3.05Å; M210-A212 VanDerWaalsContact C-N 3.26Å; M210-A212 PolarHBondContact O-N 3.26Å; M210-R213 PolarHBondContact O-N 3.23Å; M210-R213 VanDerWaalsContact O-N 3.14Å; M210-M214 HydrophobicContact CE-SD 4.02Å; M210-M214 HydrophobicContact CG-CG 4.41Å; M210-M214 HydrophobicContact CG-SD 3.66Å; M210-M214 WeakPolarHBondContact O-CB 3.4Å; M210-M214 WeakPolarHBondContact O-CG 2.93Å; M210-M214 PolarHBondContact O-N 3.11Å; M210-M214 HydrophobicContact SD-SD 4.06Å
211T91.5Very high88.9Confident5 Ų577.9 Ų77.93%0.03136%0.363CS..Hα-helixtrans-55-44.6173.1-44.60000111Y186 Y190 L207 K208 R213 M214 C215Y186-T211 PolarHBondContact OH-OG1 3.1Å; Y190-T211 HydrophobicContact CD1-CG2 3.79Å; Y190-T211 HydrophobicContact CD2-CG2 3.71Å; Y190-T211 HydrophobicContact CE1-CG2 3.51Å; Y190-T211 HydrophobicContact CE2-CG2 3.43Å; Y190-T211 VanDerWaalsContact CE2-CG2 3.43Å; Y190-T211 HydrophobicContact CG-CG2 3.88Å; L207-T211 PolarHBondContact O-N 3.41Å; L207-T211 PolarHBondContact O-OG1 3.02Å; K208-T211 WeakPolarHBondContact O-CB 3.26Å; K208-T211 PolarHBondContact O-N 3.3Å; T211-R213 VanDerWaalsContact C-N 3.28Å; T211-R213 PolarHBondContact O-N 3.46Å; T211-M214 PolarHBondContact O-N 3.22Å; T211-M214 VanDerWaalsContact O-N 3.16Å; T211-C215 HydrophobicContact CG2-CB 4.27Å; T211-C215 VanDerWaalsContact O-CB 3.31Å; T211-C215 WeakPolarHBondContact O-CB 3.4Å; T211-C215 PolarHBondContact O-N 3.46Å
212A89.8Confident88.9Confident49 Ų4974.7 Ų74.741%0.40535%0.348SS..Hα-helixtrans-61.2-34.7179.500000113K208 E209 M210 H216K208-A212 WeakPolarHBondContact O-CB 3.46Å; K208-A212 PolarHBondContact O-N 3.34Å; E209-A212 PolarHBondContact O-N 3.35Å; M210-A212 VanDerWaalsContact C-N 3.26Å; M210-A212 PolarHBondContact O-N 3.26Å; A212-H216 WeakPolarHBondContact O-CB 3.25Å
213R85.8Confident88.8Confident201 Ų20168.1 Ų68.176%0.75832%0.322SS*.Hα-helixtrans-80.2-23.9176.9-64.4176-169.4177.25.8113.6E209 M210 T211E209-R213 WeakPolarHBondContact O-CG 3.21Å; E209-R213 PolarHBondContact O-N 3.04Å; M210-R213 PolarHBondContact O-N 3.23Å; M210-R213 VanDerWaalsContact O-N 3.14Å; T211-R213 VanDerWaalsContact C-N 3.28Å; T211-R213 PolarHBondContact O-N 3.46Å
214M83.2Confident88.6Confident31 Ų3168.1 Ų68.115%0.15332%0.321CS..Hα-helixtrans-96.9-35.7-172.1-75.8-177.962.700112.8N183 Y186 K187 M210 T211N183-M214 HydrophobicContact CB-CE 3.48Å; N183-M214 VanDerWaalsContact CB-CE 3.48Å; N183-M214 VanDerWaalsContact CG-CE 3.48Å; N183-M214 WeakPolarHBondContact OD1-CE 3.33Å; Y186-M214 HydrophobicContact CD1-CE 3.97Å; Y186-M214 HydrophobicContact CD1-SD 4.34Å; K187-M214 WeakPolarHBondContact CE-O 3.3Å; K187-M214 HydrophobicContact CG-CE 4.06Å; K187-M214 PolarHBondContact NZ-O 3.24Å; M210-M214 HydrophobicContact CE-SD 4.02Å; M210-M214 HydrophobicContact CG-CG 4.41Å; M210-M214 HydrophobicContact CG-SD 3.66Å; M210-M214 WeakPolarHBondContact O-CB 3.4Å; M210-M214 WeakPolarHBondContact O-CG 2.93Å; M210-M214 PolarHBondContact O-N 3.11Å; M210-M214 HydrophobicContact SD-SD 4.06Å; T211-M214 PolarHBondContact O-N 3.22Å; T211-M214 VanDerWaalsContact O-N 3.16Å
215C80.3Confident88.2Confident8 Ų872.9 Ų72.95%0.05434%0.344CS..Hα-helixtrans-110.6-8.1-169.1-61.30000113.5Y190 Y191 T211Y190-C215 HydrophobicContact CD1-CB 4.28Å; Y190-C215 HydrophobicContact CE1-CB 4.29Å; Y191-C215 HydrophobicContact CE1-CB 3.77Å; Y191-C215 WeakPolarHBondContact OH-CA 3.32Å; Y191-C215 WeakPolarHBondContact OH-CB 3.43Å; Y191-C215 PolarHBondContact OH-O 3.25Å; T211-C215 HydrophobicContact CG2-CB 4.27Å; T211-C215 VanDerWaalsContact O-CB 3.31Å; T211-C215 WeakPolarHBondContact O-CB 3.4Å; T211-C215 PolarHBondContact O-N 3.46Å
216H71.6Confident87.6Confident169 Ų16972.2 Ų72.278%0.78234%0.341SS*.  trans-132.10179.1-58.3-63.6000109.2A212A212-H216 WeakPolarHBondContact O-CB 3.25Å

Retrieved 216 of 216 residues in 123.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).