A0A5K4F8P1_SCHMA Loading...

MFS domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8P1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 324 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.7Very low50.7Low216 Ų216117 Ų117100%1.06461%0.607SS**  0-23.90-76177.9-162.200113.7S3M1-S3 PolarHBondContact O-N 3.15Å
2I48.4Very low50.8Low142 Ų142116.6 Ų116.673%0.72860%0.6SS**Hα-helixtrans-69.9-31.7-171.9-60.4161.3000114.8E5I2-E5 PolarHBondContact O-N 3.4Å
3S52.1Low50.8Low92 Ų92108.2 Ų108.264%0.64356%0.557SS**Hα-helixtrans-68-37.4179.7133.10000112.9M1 E5 K6 D7M1-S3 PolarHBondContact O-N 3.15Å; S3-E5 PolarHBondContact O-N 3.26Å; S3-K6 PolarHBondContact O-N 3.4Å; S3-D7 PolarHBondContact O-N 3.2Å
4K49.7Very low51.2Low173 Ų173115.8 Ų115.875%0.75258%0.575SS**Hα-helixtrans-64.4-31177.2-81.7-172173.6-176.50112.3S8K4-S8 WeakPolarHBondContact O-CB 3.5Å; K4-S8 PolarHBondContact O-N 3.4Å
5E47.6Very low51.6Low126 Ų126115.3 Ų115.359%0.58959%0.585SS**Hα-helixtrans-73-34.8-177.2-162159.7-170.500112I2 S3 S8 N9I2-E5 PolarHBondContact O-N 3.4Å; S3-E5 PolarHBondContact O-N 3.26Å; E5-S8 PolarHBondContact O-N 3.08Å; E5-N9 VanDerWaalsContact O-CG 3.24Å; E5-N9 PolarHBondContact O-N 2.95Å; E5-N9 PolarHBondContact O-ND2 3.09Å
6K53.9Low51.9Low117 Ų117111.8 Ų111.851%0.50957%0.568SS.*Hα-helixtrans-71.9-43.3177.3-138.8175.9-173.7179.50112.1S3 S8 N9 V10S3-K6 PolarHBondContact O-N 3.4Å; K6-S8 VanDerWaalsContact C-N 3.31Å; K6-N9 PolarHBondContact O-N 3.18Å; K6-V10 WeakPolarHBondContact O-CG2 3.28Å; K6-V10 PolarHBondContact O-N 2.72Å; K6-V10 VanDerWaalsContact O-N 3.08Å
7D52.1Low52.7Low100 Ų100115.9 Ų115.954%0.53558%0.584SS.*Hα-helixtrans-65.3-37172.7-73.2-26.2000111.5S3 N9 V10 L11S3-D7 PolarHBondContact O-N 3.2Å; D7-N9 VanDerWaalsContact C-N 3.32Å; D7-N9 PolarHBondContact O-N 3.13Å; D7-V10 PolarHBondContact O-N 3.34Å; D7-L11 WeakPolarHBondContact O-CB 3.4Å; D7-L11 WeakPolarHBondContact O-CD1 3.47Å; D7-L11 WeakPolarHBondContact O-CG 3.36Å; D7-L11 PolarHBondContact O-N 3.16Å
8S53.9Low54Low56 Ų56114.8 Ų114.839%0.39258%0.581SS.*Hα-helixtrans-62.6-38.6174.9-162.70000111.8K4 E5 K6 L11 Q12K4-S8 WeakPolarHBondContact O-CB 3.5Å; K4-S8 PolarHBondContact O-N 3.4Å; E5-S8 PolarHBondContact O-N 3.08Å; K6-S8 VanDerWaalsContact C-N 3.31Å; S8-L11 PolarHBondContact O-N 2.86Å; S8-Q12 WeakPolarHBondContact O-CB 3.15Å; S8-Q12 WeakPolarHBondContact O-CG 3.36Å; S8-Q12 PolarHBondContact O-N 3.28Å
9N49.9Very low55Low74 Ų74113.4 Ų113.440%0.39658%0.58SS.*Hα-helixtrans-68.5-39.6175.5-71.2-17.4000112.3E5 K6 D7 L11 Q12 L13E5-N9 VanDerWaalsContact O-CG 3.24Å; E5-N9 PolarHBondContact O-N 2.95Å; E5-N9 PolarHBondContact O-ND2 3.09Å; K6-N9 PolarHBondContact O-N 3.18Å; D7-N9 VanDerWaalsContact C-N 3.32Å; D7-N9 PolarHBondContact O-N 3.13Å; N9-L11 VanDerWaalsContact C-N 3.34Å; N9-Q12 PolarHBondContact O-N 2.97Å; N9-L13 WeakPolarHBondContact O-CG 3.46Å; N9-L13 PolarHBondContact O-N 2.87Å
10V54.1Low56Low79 Ų79114 Ų11448%0.47958%0.583SS.*Hα-helixtrans-66.7-36.7174.7177.20000111.4K6 D7K6-V10 WeakPolarHBondContact O-CG2 3.28Å; K6-V10 PolarHBondContact O-N 2.72Å; K6-V10 VanDerWaalsContact O-N 3.08Å; D7-V10 PolarHBondContact O-N 3.34Å
11L52.2Low56.8Low112 Ų112112.9 Ų112.959%0.58658%0.576SS**Hα-helixtrans-68.8-37.6174.1-79.4160000112.4D7 S8 N9 L13 R14D7-L11 WeakPolarHBondContact O-CB 3.4Å; D7-L11 WeakPolarHBondContact O-CD1 3.47Å; D7-L11 WeakPolarHBondContact O-CG 3.36Å; D7-L11 PolarHBondContact O-N 3.16Å; S8-L11 PolarHBondContact O-N 2.86Å; N9-L11 VanDerWaalsContact C-N 3.34Å; L11-L13 VanDerWaalsContact C-N 3.3Å; L11-L13 PolarHBondContact O-N 3.42Å; L11-R14 PolarHBondContact O-N 3.45Å
12Q51.6Low58Low112 Ų112105.3 Ų105.352%0.52354%0.538SS..Hα-helixtrans-62-34.7175.5-82.4-172.4-800112.8S8 N9 R14 C15 N16S8-Q12 WeakPolarHBondContact O-CB 3.15Å; S8-Q12 WeakPolarHBondContact O-CG 3.36Å; S8-Q12 PolarHBondContact O-N 3.28Å; N9-Q12 PolarHBondContact O-N 2.97Å; Q12-R14 PolarHBondContact O-N 3.43Å; Q12-C15 PolarHBondContact O-N 3.25Å; Q12-C15 VanDerWaalsContact O-N 3.15Å; Q12-N16 PolarHBondContact O-N 3.29Å
13L51Low59.2Low8 Ų8102 Ų1024%0.04252%0.524CS..Hα-helixtrans-57.9-33.2175.3-70.5164.6000112.8N9 L11 Q22 Q25 Y26N9-L13 WeakPolarHBondContact O-CG 3.46Å; N9-L13 PolarHBondContact O-N 2.87Å; L11-L13 VanDerWaalsContact C-N 3.3Å; L11-L13 PolarHBondContact O-N 3.42Å; L13-Q22 PolarHBondContact O-NE2 3.36Å; L13-Q22 VanDerWaalsContact O-NE2 3.09Å; L13-Q25 HydrophobicContact CD2-CB 3.6Å; L13-Y26 HydrophobicContact CB-CE2 4.18Å; L13-Y26 HydrophobicContact CD1-CD1 4.26Å; L13-Y26 HydrophobicContact CD1-CE1 3.76Å; L13-Y26 HydrophobicContact CD1-CE2 4.21Å; L13-Y26 HydrophobicContact CD2-CD2 3.99Å; L13-Y26 HydrophobicContact CD2-CE2 3.85Å; L13-Y26 HydrophobicContact CD2-CG 4.42Å; L13-Y26 HydrophobicContact CG-CE2 4.31Å
14R57.2Low60.4Low214 Ų214101.6 Ų101.681%0.80851%0.514SS*.Hα-helixtrans-76.1-25.9178.6-86.9-174.1-174.1179.53.2113.9L11 Q12L11-R14 PolarHBondContact O-N 3.45Å; Q12-R14 PolarHBondContact O-N 3.43Å
15C56.4Low61.1Low108 Ų10896.3 Ų96.373%0.7349%0.492SS*.Hα-helixtrans-93.1-16.4-172.9-710000113.9Q12 H17Q12-C15 PolarHBondContact O-N 3.25Å; Q12-C15 VanDerWaalsContact O-N 3.15Å; C15-H17 PolarHBondContact O-N 3.29Å
16N55.9Low62.1Low60 Ų6095.3 Ų95.332%0.32148%0.484SS..  trans-77.1119178.7-108.51.5000110.9Q12 D18 Q21 Q22Q12-N16 PolarHBondContact O-N 3.29Å; N16-D18 PolarHBondContact O-N 2.79Å; N16-Q21 PolarHBondContact ND2-OE1 3.35Å; N16-Q22 HydrophobicContact CB-CG 4.47Å; N16-Q22 PolarHBondContact O-NE2 3.33Å
17H66.9Low62.6Low181 Ų18195.6 Ų95.684%0.83849%0.487SS*.  trans-76.1-5.7-178.4-11143.2000114.4C15 P19C15-H17 PolarHBondContact O-N 3.29Å; H17-P19 VanDerWaalsContact O-CD 3.28Å; H17-P19 WeakPolarHBondContact O-CD 3.49Å
18D75.1Confident63.3Low97 Ų9796.6 Ų96.652%0.51949%0.488SS..  trans-93.4108179.2-75.3-21.2000111.4N16 I20 Q21 Q22N16-D18 PolarHBondContact O-N 2.79Å; D18-I20 PolarHBondContact O-N 2.87Å; D18-Q21 HydrophobicContact CB-CB 4.17Å; D18-Q21 HydrophobicContact CB-CG 4.5Å; D18-Q21 PolarHBondContact O-N 3.44Å; D18-Q21 VanDerWaalsContact O-N 3.13Å; D18-Q22 PolarHBondContact O-N 2.98Å; D18-Q22 VanDerWaalsContact O-N 3.16Å
19P73.1Confident63.8Low88 Ų8897.7 Ų97.757%0.57149%0.489SS*.Hα-helixtrans-63.8-24.4-177.624.6-33.7000113.1H17 T23H17-P19 VanDerWaalsContact O-CD 3.28Å; H17-P19 WeakPolarHBondContact O-CD 3.49Å; P19-T23 WeakPolarHBondContact O-CG2 3.38Å; P19-T23 PolarHBondContact O-N 3.44Å; P19-T23 VanDerWaalsContact O-N 3.08Å; P19-T23 PolarHBondContact O-OG1 3.15Å
20I75.5Confident64.5Low125 Ų125100.5 Ų100.564%0.64151%0.505SS*.Hα-helixtrans-72.8-40.8176.7-60.4170.9000110.8D18 T23 L24D18-I20 PolarHBondContact O-N 2.87Å; I20-T23 WeakPolarHBondContact CA-OG1 3.11Å; I20-T23 PolarHBondContact O-N 2.93Å; I20-T23 PolarHBondContact O-OG1 2.95Å; I20-L24 HydrophobicContact CG2-CD1 4.03Å; I20-L24 WeakPolarHBondContact O-CB 3.43Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.28Å; I20-L24 PolarHBondContact O-N 3.4Å
21Q72.3Confident65Low91 Ų91100.9 Ų100.943%0.42551%0.511SS..Hα-helixtrans-69-37.5176.2-88.5-176.3-18.100111.9N16 D18 L24 Q25N16-Q21 PolarHBondContact ND2-OE1 3.35Å; D18-Q21 HydrophobicContact CB-CB 4.17Å; D18-Q21 HydrophobicContact CB-CG 4.5Å; D18-Q21 PolarHBondContact O-N 3.44Å; D18-Q21 VanDerWaalsContact O-N 3.13Å; Q21-L24 PolarHBondContact O-N 3.08Å; Q21-Q25 WeakPolarHBondContact O-CB 3.22Å; Q21-Q25 WeakPolarHBondContact O-CG 3.48Å; Q21-Q25 PolarHBondContact O-N 2.8Å
22Q69.2Low65.6Low56 Ų56101.5 Ų101.526%0.26251%0.511SS..Hα-helixtrans-59.7-51.8172.9-69.5-176.12.500110.6L13 N16 D18 L24 Q25 Y26L13-Q22 PolarHBondContact O-NE2 3.36Å; L13-Q22 VanDerWaalsContact O-NE2 3.09Å; N16-Q22 HydrophobicContact CB-CG 4.47Å; N16-Q22 PolarHBondContact O-NE2 3.33Å; D18-Q22 PolarHBondContact O-N 2.98Å; D18-Q22 VanDerWaalsContact O-N 3.16Å; Q22-L24 VanDerWaalsContact C-N 3.31Å; Q22-L24 PolarHBondContact O-N 3.42Å; Q22-Q25 PolarHBondContact O-N 3.35Å; Q22-Q25 VanDerWaalsContact O-N 3.15Å; Q22-Y26 HydrophobicContact CB-CD2 4.25Å; Q22-Y26 HydrophobicContact CB-CE2 4.33Å; Q22-Y26 WeakPolarHBondContact O-CB 3.35Å; Q22-Y26 WeakPolarHBondContact O-CD2 3.37Å; Q22-Y26 PolarHBondContact O-N 3.42Å
23T73.4Confident66.4Low74 Ų74101.9 Ų101.945%0.45452%0.523SS..Hα-helixtrans-60.8-39.7-179.945.20000112.2P19 I20 Q27P19-T23 WeakPolarHBondContact O-CG2 3.38Å; P19-T23 PolarHBondContact O-N 3.44Å; P19-T23 VanDerWaalsContact O-N 3.08Å; P19-T23 PolarHBondContact O-OG1 3.15Å; I20-T23 WeakPolarHBondContact CA-OG1 3.11Å; I20-T23 PolarHBondContact O-N 2.93Å; I20-T23 PolarHBondContact O-OG1 2.95Å; T23-Q27 WeakPolarHBondContact O-CB 3.44Å; T23-Q27 WeakPolarHBondContact O-CG 3.42Å; T23-Q27 PolarHBondContact O-N 3.37Å
24L76.6Confident67.4Low82 Ų82108.2 Ų108.243%0.42956%0.555SS.*Hα-helixtrans-64.3-42.1173.6-72.3168.4000112.7I20 Q21 Q22 Q27 Q28I20-L24 HydrophobicContact CG2-CD1 4.03Å; I20-L24 WeakPolarHBondContact O-CB 3.43Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.28Å; I20-L24 PolarHBondContact O-N 3.4Å; Q21-L24 PolarHBondContact O-N 3.08Å; Q22-L24 VanDerWaalsContact C-N 3.31Å; Q22-L24 PolarHBondContact O-N 3.42Å; L24-Q27 PolarHBondContact O-N 2.87Å; L24-Q28 VanDerWaalsContact O-CB 3.32Å; L24-Q28 WeakPolarHBondContact O-CB 3.19Å; L24-Q28 WeakPolarHBondContact O-CG 3.14Å; L24-Q28 PolarHBondContact O-N 3.3Å
25Q64.8Low68.3Low63 Ų63102.1 Ų102.129%0.29454%0.539SS..Hα-helixtrans-69.5-39.9176.9-75.4178.7-25.200112.1L13 Q21 Q22 Q28 L29L13-Q25 HydrophobicContact CD2-CB 3.6Å; Q21-Q25 WeakPolarHBondContact O-CB 3.22Å; Q21-Q25 WeakPolarHBondContact O-CG 3.48Å; Q21-Q25 PolarHBondContact O-N 2.8Å; Q22-Q25 PolarHBondContact O-N 3.35Å; Q22-Q25 VanDerWaalsContact O-N 3.15Å; Q25-Q28 PolarHBondContact O-N 3.38Å; Q25-L29 WeakPolarHBondContact O-CB 3.17Å; Q25-L29 PolarHBondContact O-N 3.41Å
26Y67.8Low69.2Low105 Ų105100.9 Ų100.941%0.41253%0.528SS..Hα-helixtrans-63.3-41.4171.6-83.2-72.1000111.4L13 Q22 L29 N30L13-Y26 HydrophobicContact CB-CE2 4.18Å; L13-Y26 HydrophobicContact CD1-CD1 4.26Å; L13-Y26 HydrophobicContact CD1-CE1 3.76Å; L13-Y26 HydrophobicContact CD1-CE2 4.21Å; L13-Y26 HydrophobicContact CD2-CD2 3.99Å; L13-Y26 HydrophobicContact CD2-CE2 3.85Å; L13-Y26 HydrophobicContact CD2-CG 4.42Å; L13-Y26 HydrophobicContact CG-CE2 4.31Å; Q22-Y26 HydrophobicContact CB-CD2 4.25Å; Q22-Y26 HydrophobicContact CB-CE2 4.33Å; Q22-Y26 WeakPolarHBondContact O-CB 3.35Å; Q22-Y26 WeakPolarHBondContact O-CD2 3.37Å; Q22-Y26 PolarHBondContact O-N 3.42Å; Y26-L29 PolarHBondContact O-N 3.21Å; Y26-N30 VanDerWaalsContact O-CB 3.3Å; Y26-N30 WeakPolarHBondContact O-CB 3.4Å; Y26-N30 VanDerWaalsContact O-CG 3.32Å; Y26-N30 PolarHBondContact O-N 2.74Å
27Q66.4Low70.2Confident122 Ų122100.2 Ų100.257%0.5752%0.524SS*.Hα-helixtrans-64.3-41.5173.3-78173-5.900111.2T23 L24 N30 S31T23-Q27 WeakPolarHBondContact O-CB 3.44Å; T23-Q27 WeakPolarHBondContact O-CG 3.42Å; T23-Q27 PolarHBondContact O-N 3.37Å; L24-Q27 PolarHBondContact O-N 2.87Å; Q27-N30 CarbonylContact O-C 3.55Å; Q27-N30 PolarHBondContact O-N 3.16Å; Q27-S31 WeakPolarHBondContact O-CA 3.3Å; Q27-S31 WeakPolarHBondContact O-CB 3.32Å; Q27-S31 PolarHBondContact O-N 2.82Å; Q27-S31 PolarHBondContact O-OG 3.48Å
28Q65.8Low70.7Confident121 Ų12196 Ų9657%0.56551%0.505SS*.Hα-helixtrans-64.1-42.6175.6-77.8172.8-200111.4L24 Q25 S31 Q32L24-Q28 VanDerWaalsContact O-CB 3.32Å; L24-Q28 WeakPolarHBondContact O-CB 3.19Å; L24-Q28 WeakPolarHBondContact O-CG 3.14Å; L24-Q28 PolarHBondContact O-N 3.3Å; Q25-Q28 PolarHBondContact O-N 3.38Å; Q28-S31 VanDerWaalsContact CA-OG 3.26Å; Q28-S31 WeakPolarHBondContact CA-OG 3.26Å; Q28-S31 PolarHBondContact O-N 2.77Å; Q28-S31 PolarHBondContact O-OG 3.46Å; Q28-Q32 PolarHBondContact O-N 3.38Å
29L65Low70.8Confident79 Ų7996 Ų9641%0.41451%0.505SS..Hα-helixtrans-66.1-39176.5-148.3105.7000111.9Q25 Y26 S31 Q32Q25-L29 WeakPolarHBondContact O-CB 3.17Å; Q25-L29 PolarHBondContact O-N 3.41Å; Y26-L29 PolarHBondContact O-N 3.21Å; L29-S31 VanDerWaalsContact C-N 3.33Å; L29-Q32 PolarHBondContact O-N 3.14Å
30N63.8Low70.7Confident134 Ų13496.4 Ų96.472%0.71750%0.495SS*.Hα-helixtrans-74-23.4173.3-75-8.2000112.9Y26 Q27Y26-N30 VanDerWaalsContact O-CB 3.3Å; Y26-N30 WeakPolarHBondContact O-CB 3.4Å; Y26-N30 VanDerWaalsContact O-CG 3.32Å; Y26-N30 PolarHBondContact O-N 2.74Å; Q27-N30 CarbonylContact O-C 3.55Å; Q27-N30 PolarHBondContact O-N 3.16Å
31S65Low70.7Confident87 Ų8795.5 Ų95.561%0.60849%0.488SS*.Hα-helixtrans-80.7-18.5175.6750000112.7Q27 Q28 L29 P33Q27-S31 WeakPolarHBondContact O-CA 3.3Å; Q27-S31 WeakPolarHBondContact O-CB 3.32Å; Q27-S31 PolarHBondContact O-N 2.82Å; Q27-S31 PolarHBondContact O-OG 3.48Å; Q28-S31 VanDerWaalsContact CA-OG 3.26Å; Q28-S31 WeakPolarHBondContact CA-OG 3.26Å; Q28-S31 PolarHBondContact O-N 2.77Å; Q28-S31 PolarHBondContact O-OG 3.46Å; L29-S31 VanDerWaalsContact C-N 3.33Å; S31-P33 WeakPolarHBondContact O-CD 3.5Å
32Q65.5Low70.9Confident125 Ų12596.8 Ų96.858%0.58450%0.498SS*.SBendtrans-63.6119.9167.3-69.4-173.8-6.100107.2Q28 L29 I34Q28-Q32 PolarHBondContact O-N 3.38Å; L29-Q32 PolarHBondContact O-N 3.14Å; Q32-I34 PolarHBondContact O-N 3.43Å
33P67.8Low71.3Confident120 Ų12099.5 Ų99.578%0.77952%0.518SS*.  trans-56.2122.5179.923-32.3000107.9S31 N35S31-P33 WeakPolarHBondContact O-CD 3.5Å; P33-N35 PolarHBondContact O-N 3Å
34I71.5Confident71.2Confident140 Ų14099.5 Ų99.572%0.71852%0.518SS*.  trans-58.5105.2175.8-66.1169.4000106.4Q32 V36Q32-I34 PolarHBondContact O-N 3.43Å; I34-V36 PolarHBondContact O-N 2.86Å
35N75.5Confident71Confident87 Ų8796.8 Ų96.847%0.46551%0.51SS..  trans-75.999.2175.7-169.4-23000107.5P33 D37 Q38 L39P33-N35 PolarHBondContact O-N 3Å; N35-D37 PolarHBondContact O-N 3.2Å; N35-D37 WeakPolarHBondContact OD1-CB 3.43Å; N35-D37 PolarHBondContact OD1-N 3.27Å; N35-D37 VanDerWaalsContact OD1-N 3.17Å; N35-Q38 HydrophobicContact CB-CB 4.02Å; N35-Q38 WeakPolarHBondContact O-CB 3.45Å; N35-Q38 PolarHBondContact O-N 3.39Å; N35-L39 PolarHBondContact O-N 3.37Å; N35-L39 VanDerWaalsContact O-N 3.12Å
36V76.9Confident71Confident82 Ų8294.8 Ų94.850%0.49750%0.504SS..Hα-helixtrans-53.1-37.4-179.4176.20000110.9I34 Q38 L39 Y40I34-V36 PolarHBondContact O-N 2.86Å; V36-Q38 VanDerWaalsContact C-N 3.34Å; V36-Q38 PolarHBondContact O-N 2.84Å; V36-L39 WeakPolarHBondContact O-CB 3.46Å; V36-L39 PolarHBondContact O-N 2.95Å; V36-Y40 HydrophobicContact CG1-CD2 3.62Å; V36-Y40 HydrophobicContact CG1-CE2 3.4Å; V36-Y40 WeakPolarHBondContact O-CD2 3.35Å; V36-Y40 PolarHBondContact O-N 3.24Å
37D75.5Confident71.2Confident46 Ų4692.1 Ų92.125%0.24650%0.5CS..Hα-helixtrans-65-36.5177.2-70-47.8000112.2N35 Y40 E41 I269 A270 R273N35-D37 PolarHBondContact O-N 3.2Å; N35-D37 WeakPolarHBondContact OD1-CB 3.43Å; N35-D37 PolarHBondContact OD1-N 3.27Å; N35-D37 VanDerWaalsContact OD1-N 3.17Å; D37-Y40 PolarHBondContact O-N 3.12Å; D37-E41 WeakPolarHBondContact O-CB 3.24Å; D37-E41 PolarHBondContact O-N 3.48Å; D37-I269 HydrophobicContact CB-CG2 3.99Å; D37-A270 PolarHBondContact OD1-N 3.12Å; D37-A270 WeakPolarHBondContact OD2-CB 3.45Å; D37-R273 IonicContact OD1-NH2 2.68Å
38Q77.7Confident71.6Confident91 Ų9187.6 Ų87.643%0.42549%0.487SS..Hα-helixtrans-71.4-32.6176.7-161.6175.613.300111.7N35 V36 N42N35-Q38 HydrophobicContact CB-CB 4.02Å; N35-Q38 WeakPolarHBondContact O-CB 3.45Å; N35-Q38 PolarHBondContact O-N 3.39Å; V36-Q38 VanDerWaalsContact C-N 3.34Å; V36-Q38 PolarHBondContact O-N 2.84Å; Q38-N42 VanDerWaalsContact O-CG 3.26Å; Q38-N42 PolarHBondContact O-N 2.69Å; Q38-N42 PolarHBondContact O-ND2 2.96Å
39L77Confident72.4Confident99 Ų9989.2 Ų89.252%0.51850%0.498SS..Hα-helixtrans-65.5-46.1171-179.167000110.9N35 V36 E41 N42 V43N35-L39 PolarHBondContact O-N 3.37Å; N35-L39 VanDerWaalsContact O-N 3.12Å; V36-L39 WeakPolarHBondContact O-CB 3.46Å; V36-L39 PolarHBondContact O-N 2.95Å; L39-E41 VanDerWaalsContact C-N 3.33Å; L39-E41 PolarHBondContact O-N 3.06Å; L39-N42 PolarHBondContact O-N 3.34Å; L39-V43 HydrophobicContact CD1-CG2 3.95Å; L39-V43 HydrophobicContact CG-CG2 4.43Å; L39-V43 WeakPolarHBondContact O-CG2 3.43Å; L39-V43 PolarHBondContact O-N 3.28Å
40Y72Confident73.2Confident95 Ų9591.2 Ų91.237%0.37350%0.5SS..Hα-helixtrans-59.3-42.7175.1-84.9-68.2000112.1V36 D37 N42 V43 V44 G45V36-Y40 HydrophobicContact CG1-CD2 3.62Å; V36-Y40 HydrophobicContact CG1-CE2 3.4Å; V36-Y40 WeakPolarHBondContact O-CD2 3.35Å; V36-Y40 PolarHBondContact O-N 3.24Å; D37-Y40 PolarHBondContact O-N 3.12Å; Y40-N42 VanDerWaalsContact C-N 3.31Å; Y40-N42 PolarHBondContact O-N 3.2Å; Y40-V43 PolarHBondContact O-N 3.37Å; Y40-V44 HydrophobicContact CD1-CB 4.38Å; Y40-V44 HydrophobicContact CD1-CG2 3.83Å; Y40-V44 HydrophobicContact CE1-CG2 4.39Å; Y40-V44 WeakPolarHBondContact O-CA 3.4Å; Y40-V44 WeakPolarHBondContact O-CB 3.32Å; Y40-V44 PolarHBondContact O-N 3.05Å; Y40-G45 PolarHBondContact O-N 2.94Å; Y40-G45 VanDerWaalsContact O-N 3.14Å
41E76.1Confident74.1Confident106 Ų10685 Ų8550%0.49547%0.467SS..Hα-helixtrans-60.7-39.7178.2-174.5164.4-15700112.3D37 L39 G45 A46 I269D37-E41 WeakPolarHBondContact O-CB 3.24Å; D37-E41 PolarHBondContact O-N 3.48Å; L39-E41 VanDerWaalsContact C-N 3.33Å; L39-E41 PolarHBondContact O-N 3.06Å; E41-G45 WeakPolarHBondContact O-CA 3.25Å; E41-G45 PolarHBondContact O-N 3.41Å; E41-A46 HydrophobicContact CG-CB 4.16Å; E41-I269 HydrophobicContact CB-CD1 3.57Å; E41-I269 HydrophobicContact CG-CD1 4.29Å; E41-I269 VanDerWaalsContact N-CD1 3.34Å
42N76.6Confident75Confident118 Ų11884.7 Ų84.763%0.63145%0.452SS*.Hα-helixtrans-77.4-34.4-179.4-68.3-39.7000113.7Q38 L39 Y40Q38-N42 VanDerWaalsContact O-CG 3.26Å; Q38-N42 PolarHBondContact O-N 2.69Å; Q38-N42 PolarHBondContact O-ND2 2.96Å; L39-N42 PolarHBondContact O-N 3.34Å; Y40-N42 VanDerWaalsContact C-N 3.31Å; Y40-N42 PolarHBondContact O-N 3.2Å
43V75.8Confident75.9Confident113 Ų11383.6 Ų83.669%0.68545%0.445SS*.Hα-helixtrans-95.4-45.5-173.6178.20000112.5L39 Y40L39-V43 HydrophobicContact CD1-CG2 3.95Å; L39-V43 HydrophobicContact CG-CG2 4.43Å; L39-V43 WeakPolarHBondContact O-CG2 3.43Å; L39-V43 PolarHBondContact O-N 3.28Å; Y40-V43 PolarHBondContact O-N 3.37Å
44V71.8Confident76.6Confident74 Ų7478.1 Ų78.145%0.44841%0.41SS..THydrogen-bonded Turntrans-100.4-24.5-173-176.40000111.5Y40Y40-V44 HydrophobicContact CD1-CB 4.38Å; Y40-V44 HydrophobicContact CD1-CG2 3.83Å; Y40-V44 HydrophobicContact CE1-CG2 4.39Å; Y40-V44 WeakPolarHBondContact O-CA 3.4Å; Y40-V44 WeakPolarHBondContact O-CB 3.32Å; Y40-V44 PolarHBondContact O-N 3.05Å
45G72.5Confident77.2Confident26 Ų2671.7 Ų71.727%0.26838%0.377SS..  trans86.4150.3-172.500000112.1Y40 E41 C47Y40-G45 PolarHBondContact O-N 2.94Å; Y40-G45 VanDerWaalsContact O-N 3.14Å; E41-G45 WeakPolarHBondContact O-CA 3.25Å; E41-G45 PolarHBondContact O-N 3.41Å; G45-C47 PolarHBondContact O-N 3.04Å
46A66.1Low77.7Confident20 Ų2071 Ų7117%0.16537%0.373CS..SBendtrans-71-31.2-171.800000115.3E41 I269 Y272E41-A46 HydrophobicContact CG-CB 4.16Å; A46-I269 VanDerWaalsContact CA-CD1 3.46Å; A46-I269 HydrophobicContact CB-CD1 3.98Å; A46-Y272 HydrophobicContact CB-CD2 4.32Å; A46-Y272 HydrophobicContact CB-CE2 3.84Å; A46-Y272 VanDerWaalsContact O-CD2 3.31Å; A46-Y272 WeakPolarHBondContact O-CD2 3.19Å
47C70.8Confident77.9Confident49 Ų4969.4 Ų69.433%0.33136%0.362SS..SBendtrans-161.265.3-175.3-151.80000110.2G45 W52 Y272G45-C47 PolarHBondContact O-N 3.04Å; C47-W52 PolarHBondContact SG-NE1 3.04Å; C47-Y272 HydrophobicContact CB-CD2 4.4Å; C47-Y272 HydrophobicContact CB-CE2 4.47Å
48G75.8Confident78.3Confident28 Ų2867.6 Ų67.629%0.28935%0.352SS..  trans-71.2153.6-179.200000112.9W50 Q51 W52G48-W50 PolarHBondContact O-N 2.93Å; G48-W50 VanDerWaalsContact O-N 3.12Å; G48-Q51 PolarHBondContact O-N 2.81Å; G48-W52 PolarHBondContact O-N 3.44Å
49I81.6Confident78.7Confident155 Ų15563.9 Ų63.980%0.79534%0.335SS*.Hα-helixtrans-53.5-34.3176.8-161.683000112.1W52 F53I49-W52 PolarHBondContact O-N 3.12Å; I49-F53 WeakPolarHBondContact O-CB 3.42Å; I49-F53 PolarHBondContact O-N 3.43Å
50W81.6Confident79Confident120 Ų12063.2 Ų63.246%0.45533%0.328SS..Hα-helixtrans-71.9-31.6-179.5-174.983.5000113.2G48 F53 T54 M267G48-W50 PolarHBondContact O-N 2.93Å; G48-W50 VanDerWaalsContact O-N 3.12Å; W50-F53 PolarHBondContact O-N 3.48Å; W50-T54 HydrophobicContact CD2-CG2 3.97Å; W50-T54 HydrophobicContact CE3-CG2 4.19Å; W50-T54 HydrophobicContact CH2-CG2 3.9Å; W50-T54 HydrophobicContact CZ2-CG2 3.65Å; W50-T54 HydrophobicContact CZ3-CG2 4.16Å; W50-T54 WeakPolarHBondContact O-CG2 3.37Å; W50-T54 PolarHBondContact O-N 2.9Å; W50-T54 PolarHBondContact O-OG1 2.87Å; W50-M267 HydrophobicContact CH2-SD 3.96Å; W50-M267 HydrophobicContact CZ3-SD 3.91Å
51Q83.8Confident79.5Confident5 Ų558.8 Ų58.82%0.02331%0.311CS..Hα-helixtrans-66.2-41.4173.2-73.4164.3-32.600111.1G48 T54 A55 M267G48-Q51 PolarHBondContact O-N 2.81Å; Q51-T54 WeakPolarHBondContact CA-OG1 3.3Å; Q51-T54 PolarHBondContact O-OG1 2.95Å; Q51-A55 WeakPolarHBondContact O-CB 3.43Å; Q51-A55 PolarHBondContact O-N 2.83Å; Q51-M267 PolarHBondContact NE2-O 3.17Å
52W84.2Confident79.7Confident79 Ų7953.9 Ų53.930%0.29929%0.289SS..Hα-helixtrans-65.9-42.3172.5-78.8105.4000112.2C47 G48 I49 T54 A55 I56 I276 V279C47-W52 PolarHBondContact SG-NE1 3.04Å; G48-W52 PolarHBondContact O-N 3.44Å; I49-W52 PolarHBondContact O-N 3.12Å; W52-T54 PolarHBondContact O-N 3.44Å; W52-A55 PolarHBondContact O-N 3.43Å; W52-I56 WeakPolarHBondContact O-CB 3.18Å; W52-I56 WeakPolarHBondContact O-CG1 3.41Å; W52-I56 PolarHBondContact O-N 2.94Å; W52-I276 HydrophobicContact CH2-CG1 4.1Å; W52-I276 HydrophobicContact CZ2-CG1 4.17Å; W52-I276 HydrophobicContact CZ3-CG1 4.5Å; W52-V279 HydrophobicContact CH2-CB 4.37Å; W52-V279 HydrophobicContact CH2-CG2 3.96Å; W52-V279 HydrophobicContact CZ3-CB 4.02Å; W52-V279 HydrophobicContact CZ3-CG1 3.9Å; W52-V279 HydrophobicContact CZ3-CG2 4.04Å
53F84.6Confident79.7Confident102 Ų10248.7 Ų48.745%0.44726%0.261SS..Hα-helixtrans-60.6-46177.7-172.9-108.3000111.9I49 W50 I56 L57 Y319I49-F53 WeakPolarHBondContact O-CB 3.42Å; I49-F53 PolarHBondContact O-N 3.43Å; W50-F53 PolarHBondContact O-N 3.48Å; F53-I56 PolarHBondContact O-N 3.17Å; F53-L57 HydrophobicContact CD1-CD1 3.67Å; F53-L57 HydrophobicContact CD1-CG 4.37Å; F53-L57 HydrophobicContact CE1-CD1 3.26Å; F53-L57 HydrophobicContact CE1-CG 4.12Å; F53-L57 HydrophobicContact CE2-CD1 4.41Å; F53-L57 HydrophobicContact CE2-CG 4.46Å; F53-L57 HydrophobicContact CG-CD1 4.4Å; F53-L57 HydrophobicContact CZ-CD1 3.68Å; F53-L57 HydrophobicContact CZ-CD2 4.39Å; F53-L57 HydrophobicContact CZ-CG 4.16Å; F53-L57 WeakPolarHBondContact O-CB 3.32Å; F53-L57 VanDerWaalsContact O-CG 3.3Å; F53-L57 WeakPolarHBondContact O-CG 3.36Å; F53-L57 PolarHBondContact O-N 2.9Å; F53-Y319 HydrophobicContact CE1-CE2 4.08Å
54T82.1Confident79.6Confident6 Ų643.8 Ų43.84%0.03723%0.232CC..Hα-helixtrans-62.1-45.1174.948.40000112.3W50 Q51 W52 I56 L57 V58 Y319W50-T54 HydrophobicContact CD2-CG2 3.97Å; W50-T54 HydrophobicContact CE3-CG2 4.19Å; W50-T54 HydrophobicContact CH2-CG2 3.9Å; W50-T54 HydrophobicContact CZ2-CG2 3.65Å; W50-T54 HydrophobicContact CZ3-CG2 4.16Å; W50-T54 WeakPolarHBondContact O-CG2 3.37Å; W50-T54 PolarHBondContact O-N 2.9Å; W50-T54 PolarHBondContact O-OG1 2.87Å; Q51-T54 WeakPolarHBondContact CA-OG1 3.3Å; Q51-T54 PolarHBondContact O-OG1 2.95Å; W52-T54 PolarHBondContact O-N 3.44Å; T54-I56 PolarHBondContact O-N 3.2Å; T54-L57 PolarHBondContact O-N 3.24Å; T54-V58 WeakPolarHBondContact O-CB 3.47Å; T54-V58 VanDerWaalsContact O-CG2 3.27Å; T54-V58 WeakPolarHBondContact O-CG2 3.42Å; T54-V58 PolarHBondContact O-N 3.49Å; T54-Y319 VanDerWaalsContact CG2-OH 3.3Å; T54-Y319 WeakPolarHBondContact CG2-OH 3.36Å
55A84.4Confident79.7Confident4 Ų440.3 Ų40.33%0.03321%0.211CC..Hα-helixtrans-61.5-43.6177.100000112.3Q51 W52 V58 M59 V264 I276 M280Q51-A55 WeakPolarHBondContact O-CB 3.43Å; Q51-A55 PolarHBondContact O-N 2.83Å; W52-A55 PolarHBondContact O-N 3.43Å; A55-V58 PolarHBondContact O-N 2.74Å; A55-M59 VanDerWaalsContact O-CB 3.29Å; A55-M59 WeakPolarHBondContact O-CB 3.34Å; A55-M59 PolarHBondContact O-N 3.44Å; A55-V264 HydrophobicContact CB-CG1 4.06Å; A55-I276 HydrophobicContact CB-CG2 4.06Å; A55-M280 HydrophobicContact CB-CG 4.42Å; A55-M280 HydrophobicContact CB-SD 4.39Å
56I84.8Confident80Confident72 Ų7241.2 Ų41.237%0.36921%0.212SC..Hα-helixtrans-65.3-44177.4-70.8167.7000110.8W52 F53 T54 M59 F60W52-I56 WeakPolarHBondContact O-CB 3.18Å; W52-I56 WeakPolarHBondContact O-CG1 3.41Å; W52-I56 PolarHBondContact O-N 2.94Å; F53-I56 PolarHBondContact O-N 3.17Å; T54-I56 PolarHBondContact O-N 3.2Å; I56-M59 HydrophobicContact CG2-CE 4.32Å; I56-M59 WeakPolarHBondContact O-CB 3.16Å; I56-M59 PolarHBondContact O-N 3.02Å; I56-F60 HydrophobicContact CG2-CD2 3.67Å; I56-F60 HydrophobicContact CG2-CE2 3.75Å; I56-F60 VanDerWaalsContact O-CD2 3.31Å; I56-F60 WeakPolarHBondContact O-CD2 3.38Å; I56-F60 PolarHBondContact O-N 2.83Å
57L82.4Confident80.9Confident50 Ų5041.1 Ų41.126%0.26221%0.209SC..Hα-helixtrans-62.4-44.7176.8-77.3178.1000112F53 T54 M59 F60 S61 Y319F53-L57 HydrophobicContact CD1-CD1 3.67Å; F53-L57 HydrophobicContact CD1-CG 4.37Å; F53-L57 HydrophobicContact CE1-CD1 3.26Å; F53-L57 HydrophobicContact CE1-CG 4.12Å; F53-L57 HydrophobicContact CE2-CD1 4.41Å; F53-L57 HydrophobicContact CE2-CG 4.46Å; F53-L57 HydrophobicContact CG-CD1 4.4Å; F53-L57 HydrophobicContact CZ-CD1 3.68Å; F53-L57 HydrophobicContact CZ-CD2 4.39Å; F53-L57 HydrophobicContact CZ-CG 4.16Å; F53-L57 WeakPolarHBondContact O-CB 3.32Å; F53-L57 VanDerWaalsContact O-CG 3.3Å; F53-L57 WeakPolarHBondContact O-CG 3.36Å; F53-L57 PolarHBondContact O-N 2.9Å; T54-L57 PolarHBondContact O-N 3.24Å; L57-M59 VanDerWaalsContact C-N 3.27Å; L57-M59 PolarHBondContact O-N 3.35Å; L57-F60 PolarHBondContact O-N 3.09Å; L57-S61 WeakPolarHBondContact O-CB 3.28Å; L57-S61 PolarHBondContact O-N 2.97Å; L57-Y319 HydrophobicContact CD1-CD1 4.4Å; L57-Y319 HydrophobicContact CD1-CD2 3.33Å; L57-Y319 HydrophobicContact CD1-CE1 4.41Å; L57-Y319 HydrophobicContact CD1-CE2 3.3Å; L57-Y319 HydrophobicContact CD1-CG 3.91Å
58V83.7Confident81.6Confident8 Ų838.9 Ų38.95%0.04819%0.194CC..Hα-helixtrans-60.3-40175.6162.60000111.2T54 A55 S61 S62 L260 V264 M280 Y284T54-V58 WeakPolarHBondContact O-CB 3.47Å; T54-V58 VanDerWaalsContact O-CG2 3.27Å; T54-V58 WeakPolarHBondContact O-CG2 3.42Å; T54-V58 PolarHBondContact O-N 3.49Å; A55-V58 PolarHBondContact O-N 2.74Å; V58-S61 WeakPolarHBondContact O-CB 3.43Å; V58-S61 PolarHBondContact O-N 3.33Å; V58-S62 PolarHBondContact O-N 2.97Å; V58-S62 PolarHBondContact O-OG 3.41Å; V58-S62 VanDerWaalsContact O-OG 3.08Å; V58-L260 HydrophobicContact CG1-CB 3.67Å; V58-L260 HydrophobicContact CG1-CD1 4.02Å; V58-L260 HydrophobicContact CG1-CG 4.38Å; V58-L260 HydrophobicContact CG2-CB 4.46Å; V58-L260 HydrophobicContact CG2-CD1 4.38Å; V58-L260 HydrophobicContact CG2-CD2 4.19Å; V58-V264 HydrophobicContact CB-CG2 4.41Å; V58-V264 HydrophobicContact CG1-CG2 4.32Å; V58-V264 HydrophobicContact CG2-CG2 4.25Å; V58-M280 HydrophobicContact CB-CE 4.25Å; V58-M280 HydrophobicContact CG1-CE 3.48Å; V58-M280 VanDerWaalsContact CG1-CE 3.48Å; V58-Y284 VanDerWaalsContact CG1-OH 3.26Å; V58-Y284 WeakPolarHBondContact CG1-OH 3.28Å; V58-Y284 PolarHBondContact O-OH 2.66Å
59M84.6Confident82.1Confident13 Ų1338.6 Ų38.66%0.06419%0.187CC..Hα-helixtrans-61.1-54.5174.9-179.9-17077.300111.5A55 I56 L57 S61 S62 G283 Y284 L287 L288A55-M59 VanDerWaalsContact O-CB 3.29Å; A55-M59 WeakPolarHBondContact O-CB 3.34Å; A55-M59 PolarHBondContact O-N 3.44Å; I56-M59 HydrophobicContact CG2-CE 4.32Å; I56-M59 WeakPolarHBondContact O-CB 3.16Å; I56-M59 PolarHBondContact O-N 3.02Å; L57-M59 VanDerWaalsContact C-N 3.27Å; L57-M59 PolarHBondContact O-N 3.35Å; M59-S61 VanDerWaalsContact C-N 3.27Å; M59-S61 PolarHBondContact O-N 3.22Å; M59-S62 PolarHBondContact O-N 3.26Å; M59-G283 WeakPolarHBondContact SD-CA 3.34Å; M59-Y284 HydrophobicContact CB-CE1 4.38Å; M59-Y284 HydrophobicContact CG-CE1 4.43Å; M59-Y284 WeakPolarHBondContact O-CE1 3.38Å; M59-L287 HydrophobicContact CE-CD2 4Å; M59-L288 WeakPolarHBondContact O-CD1 3.25Å
60F83.1Confident82.3Confident84 Ų8436 Ų3637%0.36818%0.179SC..Hα-helixtrans-67.1-27.4179.1-81.2-75.6000113.6I56 L57 S62 L287 L288 L291 P312I56-F60 HydrophobicContact CG2-CD2 3.67Å; I56-F60 HydrophobicContact CG2-CE2 3.75Å; I56-F60 VanDerWaalsContact O-CD2 3.31Å; I56-F60 WeakPolarHBondContact O-CD2 3.38Å; I56-F60 PolarHBondContact O-N 2.83Å; L57-F60 PolarHBondContact O-N 3.09Å; F60-S62 VanDerWaalsContact C-N 3.29Å; F60-S62 PolarHBondContact O-N 2.82Å; F60-L287 HydrophobicContact CE1-CD2 4.25Å; F60-L287 HydrophobicContact CZ-CD2 3.83Å; F60-L288 HydrophobicContact CD1-CD2 4.2Å; F60-L291 HydrophobicContact CE1-CD1 4.14Å; F60-P312 WeakPolarHBondContact O-CB 3.44Å
61S82.9Confident82.6Confident3 Ų332.2 Ų32.22%0.02117%0.165CC..Hα-helixtrans-64.5-27.5177.4143.30000114.3L57 V58 M59 P63 K256 C316L57-S61 WeakPolarHBondContact O-CB 3.28Å; L57-S61 PolarHBondContact O-N 2.97Å; V58-S61 WeakPolarHBondContact O-CB 3.43Å; V58-S61 PolarHBondContact O-N 3.33Å; M59-S61 VanDerWaalsContact C-N 3.27Å; M59-S61 PolarHBondContact O-N 3.22Å; S61-P63 WeakPolarHBondContact O-CD 3.39Å; S61-K256 PolarHBondContact O-NZ 3.15Å; S61-C316 VanDerWaalsContact CB-CB 3.49Å; S61-C316 WeakPolarHBondContact OG-CB 3.38Å; S61-C316 PolarHBondContact OG-SG 2.8Å
62S81.3Confident82.7Confident3 Ų332 Ų322%0.02116%0.164CC..SBendtrans-108.786.3-170.5-41.30000109.8V58 M59 F60 V257 L288V58-S62 PolarHBondContact O-N 2.97Å; V58-S62 PolarHBondContact O-OG 3.41Å; V58-S62 VanDerWaalsContact O-OG 3.08Å; M59-S62 PolarHBondContact O-N 3.26Å; F60-S62 VanDerWaalsContact C-N 3.29Å; F60-S62 PolarHBondContact O-N 2.82Å; S62-V257 VanDerWaalsContact CB-CG2 3.47Å; S62-L288 WeakPolarHBondContact O-CD1 2.93Å
63P74.9Confident82.9Confident8 Ų829.5 Ų29.55%0.05216%0.157CC..  trans-59.2148.4-178.823.8-33.5000111.4S61 T65 N253 V309 M310S61-P63 WeakPolarHBondContact O-CD 3.39Å; P63-T65 PolarHBondContact O-N 2.96Å; P63-N253 PolarHBondContact O-ND2 3.36Å; P63-V309 HydrophobicContact CB-CG1 3.59Å; P63-V309 WeakPolarHBondContact CB-O 3.46Å; P63-M310 HydrophobicContact CB-CE 3.96Å; P63-M310 HydrophobicContact CG-CE 3.36Å; P63-M310 HydrophobicContact CG-SD 4.23Å
64S74.4Confident83Confident11 Ų1125.7 Ų25.78%0.07714%0.143CC..  trans-74.271176.164.80000111.2P66 T67S64-P66 VanDerWaalsContact C-N 3.27Å; S64-T67 PolarHBondContact O-N 3.45Å; S64-T67 VanDerWaalsContact O-N 3.08Å
65T74.5Confident83.2Confident1 Ų128.9 Ų28.91%0.00616%0.159CC..THydrogen-bonded Turntrans-49.3-30.6170.951.10000115.6P63 T67 Y195 R246 V249 N253 M310P63-T65 PolarHBondContact O-N 2.96Å; T65-T67 VanDerWaalsContact C-N 3.31Å; T65-T67 PolarHBondContact O-N 3.15Å; T65-Y195 VanDerWaalsContact C-OH 3.26Å; T65-Y195 WeakPolarHBondContact CB-OH 3.47Å; T65-Y195 PolarHBondContact O-OH 3.36Å; T65-Y195 PolarHBondContact OG1-OH 3.24Å; T65-R246 PolarHBondContact O-NH2 3.15Å; T65-V249 HydrophobicContact CG2-CG1 4.2Å; T65-N253 HydrophobicContact CG2-CB 4.21Å; T65-N253 PolarHBondContact OG1-OD1 2.88Å; T65-M310 HydrophobicContact CG2-CE 3.6Å
66P78.2Confident83.3Confident44 Ų4428.9 Ų28.929%0.28616%0.158SC..THydrogen-bonded Turntrans-76.1-13.9177.128.9-37.7000114.4S64 P69 Y195S64-P66 VanDerWaalsContact C-N 3.27Å; P66-P69 WeakPolarHBondContact O-CD 3.35Å; P66-Y195 HydrophobicContact CB-CE1 4.26Å
67T84.5Confident83.5Confident18 Ų1827.2 Ų27.211%0.1115%0.149CC..THydrogen-bonded Turntrans-87.3-25.7179.8-55.40000112.2S64 T65 P69 V70 F71 R289 I292S64-T67 PolarHBondContact O-N 3.45Å; S64-T67 VanDerWaalsContact O-N 3.08Å; T65-T67 VanDerWaalsContact C-N 3.31Å; T65-T67 PolarHBondContact O-N 3.15Å; T67-P69 VanDerWaalsContact C-CD 3.49Å; T67-V70 VanDerWaalsContact O-CB 3.29Å; T67-V70 WeakPolarHBondContact O-CB 3.27Å; T67-V70 WeakPolarHBondContact O-CG2 3.35Å; T67-V70 PolarHBondContact O-N 3.26Å; T67-F71 HydrophobicContact CG2-CE2 4.17Å; T67-R289 VanDerWaalsContact OG1-CD 3.3Å; T67-R289 WeakPolarHBondContact OG1-CD 3.22Å; T67-R289 WeakPolarHBondContact OG1-CG 3.43Å; T67-R289 PolarHBondContact OG1-NE 3.31Å; T67-I292 HydrophobicContact CG2-CG2 3.68Å
68F86.1Confident83.9Confident2 Ų225.7 Ų25.71%0.00914%0.141CC..Hα-helixtrans-51.7-43.9177.9176.2-97.3000114.2V70 F71 A72 Y242 I292 W302 L305 N306F68-V70 PolarHBondContact O-N 3.37Å; F68-V70 VanDerWaalsContact O-N 3.13Å; F68-F71 PolarHBondContact O-N 3.36Å; F68-A72 HydrophobicContact CD1-CB 3.98Å; F68-A72 HydrophobicContact CE1-CB 3.54Å; F68-A72 HydrophobicContact CE2-CB 4.39Å; F68-A72 HydrophobicContact CZ-CB 3.76Å; F68-A72 WeakPolarHBondContact O-CB 3.31Å; F68-A72 PolarHBondContact O-N 3.02Å; F68-Y242 HydrophobicContact CE1-CE2 4.43Å; F68-Y242 WeakPolarHBondContact CE1-OH 3.3Å; F68-I292 HydrophobicContact CB-CD1 4.01Å; F68-W302 HydrophobicContact CZ-CB 4.19Å; F68-W302 AromaticContact CZ-CE3 3.95Å; F68-W302 HydrophobicContact CZ-CE3 3.95Å; F68-L305 HydrophobicContact CD2-CD2 4.35Å; F68-L305 HydrophobicContact CD2-CG 4.48Å; F68-L305 HydrophobicContact CE2-CD2 4.19Å; F68-L305 HydrophobicContact CE2-CG 4.29Å; F68-N306 HydrophobicContact CE2-CB 3.85Å; F68-N306 HydrophobicContact CZ-CB 3.98Å
69P86.2Confident84.3Confident22 Ų2225.8 Ų25.814%0.14314%0.14CC..Hα-helixtrans-55.3-26.4174-28.937.2000115.4P66 T67 F71 N73P66-P69 WeakPolarHBondContact O-CD 3.35Å; T67-P69 VanDerWaalsContact C-CD 3.49Å; P69-F71 VanDerWaalsContact C-N 3.28Å; P69-F71 PolarHBondContact O-N 3.31Å; P69-N73 WeakPolarHBondContact O-CA 3.39Å; P69-N73 WeakPolarHBondContact O-CB 3.36Å; P69-N73 PolarHBondContact O-N 3.41Å
70V86.9Confident84.7Confident102 Ų10225.2 Ų25.262%0.61814%0.138SC*.Hα-helixtrans-62.6-39.1180179.60000111.1T67 F68T67-V70 VanDerWaalsContact O-CB 3.29Å; T67-V70 WeakPolarHBondContact O-CB 3.27Å; T67-V70 WeakPolarHBondContact O-CG2 3.35Å; T67-V70 PolarHBondContact O-N 3.26Å; F68-V70 PolarHBondContact O-N 3.37Å; F68-V70 VanDerWaalsContact O-N 3.13Å
71F86.6Confident85.3Confident39 Ų3926.5 Ų26.517%0.17114%0.14CC..Hα-helixtrans-84.3-48.2176.6-56.8-78000110.9T67 F68 P69 N73 S74 Y170 I292 A296T67-F71 HydrophobicContact CG2-CE2 4.17Å; F68-F71 PolarHBondContact O-N 3.36Å; P69-F71 VanDerWaalsContact C-N 3.28Å; P69-F71 PolarHBondContact O-N 3.31Å; F71-N73 PolarHBondContact O-N 2.74Å; F71-S74 PolarHBondContact O-N 3.04Å; F71-S74 PolarHBondContact O-OG 3.25Å; F71-Y170 HydrophobicContact CB-CD1 4.31Å; F71-Y170 HydrophobicContact CB-CD2 4.5Å; F71-Y170 HydrophobicContact CB-CG 4.09Å; F71-I292 HydrophobicContact CE2-CG1 4.37Å; F71-I292 HydrophobicContact CE2-CG2 4.38Å; F71-A296 HydrophobicContact CD1-CB 3.91Å; F71-A296 HydrophobicContact CD2-CB 4.39Å; F71-A296 HydrophobicContact CE1-CB 4.01Å; F71-A296 HydrophobicContact CE2-CB 4.47Å; F71-A296 HydrophobicContact CG-CB 4.12Å; F71-A296 HydrophobicContact CZ-CB 4.3Å
72A85.9Confident85.8Confident1 Ų126.7 Ų26.71%0.00814%0.141CC..Hα-helixtrans-67.1-34.1-173.700000113.8F68 S173 V174F68-A72 HydrophobicContact CD1-CB 3.98Å; F68-A72 HydrophobicContact CE1-CB 3.54Å; F68-A72 HydrophobicContact CE2-CB 4.39Å; F68-A72 HydrophobicContact CZ-CB 3.76Å; F68-A72 WeakPolarHBondContact O-CB 3.31Å; F68-A72 PolarHBondContact O-N 3.02Å; A72-S173 WeakPolarHBondContact O-CB 3.37Å; A72-V174 HydrophobicContact CB-CB 4.32Å; A72-V174 HydrophobicContact CB-CG2 3.71Å; A72-V174 WeakPolarHBondContact O-CB 3.14Å; A72-V174 PolarHBondContact O-N 3.5Å
73N89.1Confident86.3Confident26 Ų2628.9 Ų28.914%0.13916%0.156CC..THydrogen-bonded Turntrans-98.714.2-178.8-63.2-14.1000113P69 F71 I75 V188 S192P69-N73 WeakPolarHBondContact O-CA 3.39Å; P69-N73 WeakPolarHBondContact O-CB 3.36Å; P69-N73 PolarHBondContact O-N 3.41Å; F71-N73 PolarHBondContact O-N 2.74Å; N73-I75 PolarHBondContact O-N 3.03Å; N73-V188 HydrophobicContact CB-CG1 3.65Å; N73-S192 PolarHBondContact ND2-OG 3.05Å
74S86.4Confident87.1Confident23 Ų2334.4 Ų34.416%0.16119%0.185CC..  trans-64.8126.1173.360.20000109.8F71 P76 S173F71-S74 PolarHBondContact O-N 3.04Å; F71-S74 PolarHBondContact O-OG 3.25Å; S74-P76 VanDerWaalsContact O-CD 3.28Å; S74-P76 WeakPolarHBondContact O-CD 3.4Å; S74-S173 PolarHBondContact O-OG 2.86Å
75I86.6Confident88Confident73 Ų7337.3 Ų37.337%0.37420%0.203SC..  trans-94.8108.9179.9-59166.2000107.4N73 Q169 V175 V181 N185N73-I75 PolarHBondContact O-N 3.03Å; I75-Q169 PolarHBondContact O-NE2 3.25Å; I75-V175 HydrophobicContact CG1-CG1 4.35Å; I75-V175 HydrophobicContact CG1-CG2 4.37Å; I75-V181 HydrophobicContact CG2-CG1 4.34Å; I75-N185 WeakPolarHBondContact CD1-OD1 3.49Å
76P87.4Confident88.9Confident3 Ų337.3 Ų37.32%0.01920%0.203CC..  trans-74.9169.4173.633.6-38.1000111.2S74 Q78 Y163 L165 I176S74-P76 VanDerWaalsContact O-CD 3.28Å; S74-P76 WeakPolarHBondContact O-CD 3.4Å; P76-Q78 PolarHBondContact O-OE1 3.35Å; P76-Y163 HydrophobicContact CB-CD1 4.43Å; P76-Y163 HydrophobicContact CG-CD1 3.48Å; P76-Y163 VanDerWaalsContact CG-CD1 3.48Å; P76-Y163 HydrophobicContact CG-CE1 4.15Å; P76-Y163 HydrophobicContact CG-CG 3.98Å; P76-L165 HydrophobicContact CB-CD2 4.49Å; P76-I176 HydrophobicContact CG-CD1 4Å; P76-I176 HydrophobicContact CG-CG1 3.78Å
77Q88.2Confident89.6Confident38 Ų3836.7 Ų36.718%0.17820%0.196CC..EExtended strand (participates in β ladder)trans-73.2135.7170.7-172.1170.1-16.300109.2L97 E98 W107 Y163 E164Q77-L97 HydrophobicContact CG-CD2 3.97Å; Q77-E98 PolarHBondContact NE2-OE1 3.03Å; Q77-W107 HydrophobicContact CG-CH2 4.28Å; Q77-Y163 CarbonylContact O-C 3.59Å; Q77-Y163 WeakPolarHBondContact O-CA 3.48Å; Q77-E164 PolarHBondContact N-O 2.8Å; Q77-E164 PolarHBondContact O-N 2.96Å
78Q90.7Very high90Very high18 Ų1840.7 Ų40.78%0.08422%0.217CC..EExtended strand (participates in β ladder)trans-130.5153.9-172.974.1-82.620.600112.4P76 W107 G120 Y161 V162 Y163 V181P76-Q78 PolarHBondContact O-OE1 3.35Å; Q78-W107 VanDerWaalsContact O-CH2 3.31Å; Q78-W107 WeakPolarHBondContact O-CH2 3.34Å; Q78-W107 WeakPolarHBondContact O-CZ2 3.38Å; Q78-G120 VanDerWaalsContact O-CA 3.28Å; Q78-G120 WeakPolarHBondContact O-CA 3.09Å; Q78-Y161 HydrophobicContact CB-CD1 4.45Å; Q78-Y161 HydrophobicContact CG-CD1 4.12Å; Q78-V162 CarbonylContact C-O 3.34Å; Q78-V162 VanDerWaalsContact CA-O 3.31Å; Q78-V162 WeakPolarHBondContact CA-O 3.34Å; Q78-Y163 HydrophobicContact CB-CD1 3.46Å; Q78-Y163 VanDerWaalsContact CB-CD1 3.46Å; Q78-Y163 HydrophobicContact CB-CE1 3.48Å; Q78-Y163 VanDerWaalsContact CB-CE1 3.48Å; Q78-Y163 HydrophobicContact CG-CE1 4.31Å; Q78-V181 HydrophobicContact CG-CG2 4.32Å
79R92.4Very high90.3Very high9 Ų941.7 Ų41.73%0.03422%0.222CC..EExtended strand (participates in β ladder)trans-134.3166.9165.467.9170.6174.581.1-3.4111E87 L97 W107 Y161 V162R79-E87 IonicContact CZ-OE1 3.58Å; R79-E87 IonicContact CZ-OE2 3.31Å; R79-E87 IonicContact NH1-OE1 3Å; R79-E87 PolarHBondContact NH1-OE1 3.08Å; R79-E87 IonicContact NH1-OE2 2.74Å; R79-E87 PolarHBondContact NH1-OE2 3.33Å; R79-E87 IonicContact NH2-OE1 3.39Å; R79-E87 IonicContact NH2-OE2 2.83Å; R79-E87 PolarHBondContact NH2-OE2 3.01Å; R79-L97 HydrophobicContact CB-CD1 4.5Å; R79-L97 HydrophobicContact CB-CD2 4.05Å; R79-L97 HydrophobicContact CB-CG 4.1Å; R79-L97 HydrophobicContact CG-CD1 4.05Å; R79-L97 HydrophobicContact CG-CD2 4.3Å; R79-L97 HydrophobicContact CG-CG 3.78Å; R79-W107 HydrophobicContact CB-CH2 4.47Å; R79-W107 HydrophobicContact CB-CZ2 3.77Å; R79-Y161 CarbonylContact O-C 3.56Å; R79-Y161 VanDerWaalsContact O-CA 3.32Å; R79-Y161 WeakPolarHBondContact O-CA 3.39Å; R79-V162 HydrophobicContact CG-CB 3.97Å; R79-V162 PolarHBondContact N-O 3.49Å; R79-V162 PolarHBondContact O-N 2.99Å
80C93.4Very high90.7Very high2 Ų241.1 Ų41.11%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-64.8137.5170.6-61.90000111.3I104 Q123 C157C80-I104 HydrophobicContact CB-CD1 4.22Å; C80-Q123 HydrophobicContact CB-CB 4.19Å; C80-Q123 HydrophobicContact CB-CG 4.34Å; C80-C157 WeakPolarHBondContact CA-SG 3.41Å; C80-C157 HydrophobicContact CB-CB 3.69Å; C80-C157 WeakPolarHBondContact CB-SG 3.43Å; C80-C157 VanDerWaalsContact SG-CA 3.51Å; C80-C157 WeakPolarHBondContact SG-CB 3.36Å; C80-C157 CovalentContact SG-SG 2.03Å; C80-C157 PolarHBondContact SG-SG 3.36Å
81R94Very high90.9Very high111 Ų11140.2 Ų40.242%0.41922%0.216SC..  trans-79130.1168.9-174.2174.2-70.6169.11.8110E87 G160 Y161 V162R81-E87 HydrophobicContact CG-CG 4.26Å; R81-G160 WeakPolarHBondContact CB-O 3.43Å; R81-G160 PolarHBondContact N-O 3.33Å; R81-Y161 PolarHBondContact NE-O 3.34Å; R81-Y161 PolarHBondContact NH2-O 2.99Å; R81-V162 HydrophobicContact CB-CG2 3.89Å; R81-V162 HydrophobicContact CG-CG2 4.01Å
82L93.2Very high91.2Very high7 Ų745.3 Ų45.34%0.03724%0.244CC..  trans-89-171.9175.5-68.2164.2000110.9I86 E87 I90 I104 W128 F133L82-I86 HydrophobicContact CB-CB 4.18Å; L82-I86 HydrophobicContact CB-CG2 4.18Å; L82-I86 HydrophobicContact CD1-CG2 3.63Å; L82-E87 HydrophobicContact CB-CG 4.47Å; L82-E87 PolarHBondContact N-OE1 2.92Å; L82-I90 HydrophobicContact CD1-CD1 4.07Å; L82-I104 HydrophobicContact CD1-CD1 4.26Å; L82-I104 HydrophobicContact CD1-CG2 3.63Å; L82-I104 HydrophobicContact CD2-CG2 4.35Å; L82-I104 HydrophobicContact CG-CD1 4.28Å; L82-I104 HydrophobicContact CG-CG2 4.44Å; L82-W128 HydrophobicContact CD2-CB 4.13Å; L82-W128 VanDerWaalsContact CD2-CD1 3.42Å; L82-W128 HydrophobicContact CD2-CD2 4.41Å; L82-W128 HydrophobicContact CD2-CG 3.72Å; L82-F133 HydrophobicContact CD1-CE2 4.21Å
83S92.7Very high91.4Very high49 Ų4949.1 Ų49.134%0.34326%0.26SS..  trans-62.5148.517161.40000110.9T85 I86 E87S83-T85 PolarHBondContact O-N 3.49Å; S83-T85 VanDerWaalsContact O-N 3.1Å; S83-I86 PolarHBondContact O-N 3.42Å; S83-I86 WeakPolarHBondContact OG-CD1 3.2Å; S83-I86 WeakPolarHBondContact OG-CG1 3.17Å; S83-E87 PolarHBondContact O-N 2.88Å
84N92.3Very high91.5Very high123 Ų12354.7 Ų54.766%0.65829%0.29SS*.Hα-helixtrans-55.1-33.6-177.3-71-1.6000113I86 E87 N88N84-I86 VanDerWaalsContact C-N 3.34Å; N84-I86 PolarHBondContact O-N 3.37Å; N84-E87 PolarHBondContact O-N 2.89Å; N84-N88 VanDerWaalsContact O-CG 3.22Å; N84-N88 PolarHBondContact O-N 2.7Å; N84-N88 PolarHBondContact O-ND2 3.36Å
85T92.3Very high91.8Very high73 Ų7354.8 Ų54.845%0.44829%0.289SS..Hα-helixtrans-65.4-38.8178.7-340000112.3S83 N88 I89 E130S83-T85 PolarHBondContact O-N 3.49Å; S83-T85 VanDerWaalsContact O-N 3.1Å; T85-N88 PolarHBondContact O-N 3.21Å; T85-I89 PolarHBondContact O-N 3.34Å; T85-E130 HydrophobicContact CG2-CG 4.29Å; T85-E130 WeakPolarHBondContact CG2-OE1 3.28Å
86I93.5Very high92Very high1 Ų153.3 Ų53.31%0.00529%0.285CS..Hα-helixtrans-74.2-39.3177.4-62.2175.7000110.6L82 S83 N84 N88 I89 I90 W128 F133L82-I86 HydrophobicContact CB-CB 4.18Å; L82-I86 HydrophobicContact CB-CG2 4.18Å; L82-I86 HydrophobicContact CD1-CG2 3.63Å; S83-I86 PolarHBondContact O-N 3.42Å; S83-I86 WeakPolarHBondContact OG-CD1 3.2Å; S83-I86 WeakPolarHBondContact OG-CG1 3.17Å; N84-I86 VanDerWaalsContact C-N 3.34Å; N84-I86 PolarHBondContact O-N 3.37Å; I86-N88 PolarHBondContact O-N 3.37Å; I86-I89 WeakPolarHBondContact O-CB 3.28Å; I86-I89 PolarHBondContact O-N 3.13Å; I86-I89 VanDerWaalsContact O-N 3.07Å; I86-I90 HydrophobicContact CG2-CD1 4.01Å; I86-I90 HydrophobicContact CG2-CG1 4.4Å; I86-I90 WeakPolarHBondContact O-CG1 3.35Å; I86-I90 PolarHBondContact O-N 3.22Å; I86-W128 HydrophobicContact CD1-CB 3.53Å; I86-W128 WeakPolarHBondContact CD1-O 3.49Å; I86-F133 HydrophobicContact CG2-CB 4.41Å; I86-F133 HydrophobicContact CG2-CD1 3.47Å; I86-F133 VanDerWaalsContact CG2-CD1 3.47Å; I86-F133 HydrophobicContact CG2-CD2 4.19Å; I86-F133 HydrophobicContact CG2-CE1 3.62Å; I86-F133 HydrophobicContact CG2-CE2 4.35Å; I86-F133 HydrophobicContact CG2-CG 3.76Å; I86-F133 HydrophobicContact CG2-CZ 4.09Å
87E93.2Very high92.1Very high31 Ų3153.6 Ų53.615%0.14529%0.286CS..Hα-helixtrans-60.7-34.1174.4-66.2-64.416500112.1R79 R81 L82 S83 N84 I90 S91R79-E87 IonicContact CZ-OE1 3.58Å; R79-E87 IonicContact CZ-OE2 3.31Å; R79-E87 IonicContact NH1-OE1 3Å; R79-E87 PolarHBondContact NH1-OE1 3.08Å; R79-E87 IonicContact NH1-OE2 2.74Å; R79-E87 PolarHBondContact NH1-OE2 3.33Å; R79-E87 IonicContact NH2-OE1 3.39Å; R79-E87 IonicContact NH2-OE2 2.83Å; R79-E87 PolarHBondContact NH2-OE2 3.01Å; R81-E87 HydrophobicContact CG-CG 4.26Å; L82-E87 HydrophobicContact CB-CG 4.47Å; L82-E87 PolarHBondContact N-OE1 2.92Å; S83-E87 PolarHBondContact O-N 2.88Å; N84-E87 PolarHBondContact O-N 2.89Å; E87-I90 PolarHBondContact O-N 2.91Å; E87-S91 WeakPolarHBondContact O-CB 3.5Å; E87-S91 PolarHBondContact O-N 3.41Å
88N93.6Very high92.1Very high102 Ų10254.8 Ų54.855%0.54529%0.292SS..Hα-helixtrans-65.3-41.2172.4-70-19000112.2N84 T85 I86 S91 L92N84-N88 VanDerWaalsContact O-CG 3.22Å; N84-N88 PolarHBondContact O-N 2.7Å; N84-N88 PolarHBondContact O-ND2 3.36Å; T85-N88 PolarHBondContact O-N 3.21Å; I86-N88 PolarHBondContact O-N 3.37Å; N88-S91 PolarHBondContact O-N 3.41Å; N88-L92 WeakPolarHBondContact O-CB 3.5Å; N88-L92 VanDerWaalsContact O-CG 3.29Å; N88-L92 WeakPolarHBondContact O-CG 3.38Å; N88-L92 PolarHBondContact O-N 3.36Å
89I92.6Very high92Very high22 Ų2256.5 Ų56.511%0.11330%0.3CS..Hα-helixtrans-63.2-43.8175-68.4159.5000110.8T85 I86 S91 L92 K93 E130 E134T85-I89 PolarHBondContact O-N 3.34Å; I86-I89 WeakPolarHBondContact O-CB 3.28Å; I86-I89 PolarHBondContact O-N 3.13Å; I86-I89 VanDerWaalsContact O-N 3.07Å; I89-S91 VanDerWaalsContact C-N 3.31Å; I89-S91 PolarHBondContact O-N 2.86Å; I89-L92 PolarHBondContact O-N 3.42Å; I89-K93 HydrophobicContact CG2-CD 4.34Å; I89-K93 PolarHBondContact O-N 3.35Å; I89-E130 HydrophobicContact CD1-CB 3.98Å; I89-E130 HydrophobicContact CD1-CG 3.77Å; I89-E134 WeakPolarHBondContact CG2-OE1 3.3Å
90I93.3Very high92Very high10 Ų1056 Ų565%0.05130%0.298CS..Hα-helixtrans-57.4-47.2175.8-69.3166.5000110.3L82 I86 E87 K93 N94 L95 V100 F133L82-I90 HydrophobicContact CD1-CD1 4.07Å; I86-I90 HydrophobicContact CG2-CD1 4.01Å; I86-I90 HydrophobicContact CG2-CG1 4.4Å; I86-I90 WeakPolarHBondContact O-CG1 3.35Å; I86-I90 PolarHBondContact O-N 3.22Å; E87-I90 PolarHBondContact O-N 2.91Å; I90-K93 PolarHBondContact O-N 2.91Å; I90-N94 PolarHBondContact O-N 3.4Å; I90-N94 VanDerWaalsContact O-N 3.12Å; I90-L95 HydrophobicContact CG2-CB 4.27Å; I90-L95 PolarHBondContact O-N 3.19Å; I90-V100 HydrophobicContact CD1-CG1 3.8Å; I90-V100 HydrophobicContact CD1-CG2 4.1Å; I90-V100 HydrophobicContact CG1-CG2 4.11Å; I90-V100 HydrophobicContact CG2-CG2 3.85Å; I90-F133 HydrophobicContact CD1-CE1 3.99Å; I90-F133 HydrophobicContact CD1-CZ 3.7Å; I90-F133 HydrophobicContact CG1-CE1 3.47Å; I90-F133 VanDerWaalsContact CG1-CE1 3.47Å; I90-F133 HydrophobicContact CG1-CZ 3.54Å
91S90.7Very high91.9Very high83 Ų8356 Ų5658%0.5830%0.297SS*.Hα-helixtrans-65.1-38.8177.9-1750000112.5E87 N88 I89 K93 N94E87-S91 WeakPolarHBondContact O-CB 3.5Å; E87-S91 PolarHBondContact O-N 3.41Å; N88-S91 PolarHBondContact O-N 3.41Å; I89-S91 VanDerWaalsContact C-N 3.31Å; I89-S91 PolarHBondContact O-N 2.86Å; S91-K93 VanDerWaalsContact C-N 3.32Å; S91-K93 PolarHBondContact O-N 3.45Å; S91-N94 PolarHBondContact O-N 2.99Å; S91-N94 PolarHBondContact O-OD1 3.08Å
92L93.1Very high91.7Very high147 Ų14751.8 Ų51.877%0.7728%0.283SS*.Hα-helixtrans-66.9-34.2178.1-76.3170.2000112.4N88 I89N88-L92 WeakPolarHBondContact O-CB 3.5Å; N88-L92 VanDerWaalsContact O-CG 3.29Å; N88-L92 WeakPolarHBondContact O-CG 3.38Å; N88-L92 PolarHBondContact O-N 3.36Å; I89-L92 PolarHBondContact O-N 3.42Å
93K91.1Very high91.5Very high80 Ų8051.5 Ų51.535%0.34828%0.282SS..THydrogen-bonded Turntrans-88.8-2.5179-68.3-175.1-164.6-99.90114.1I89 I90 S91 L95 E134 I137I89-K93 HydrophobicContact CG2-CD 4.34Å; I89-K93 PolarHBondContact O-N 3.35Å; I90-K93 PolarHBondContact O-N 2.91Å; S91-K93 VanDerWaalsContact C-N 3.32Å; S91-K93 PolarHBondContact O-N 3.45Å; K93-L95 VanDerWaalsContact C-N 3.26Å; K93-L95 HydrophobicContact CB-CD1 4.37Å; K93-L95 HydrophobicContact CB-CD2 4.45Å; K93-L95 HydrophobicContact CB-CG 3.94Å; K93-L95 PolarHBondContact O-N 3.12Å; K93-E134 WeakPolarHBondContact CE-OE1 3.44Å; K93-E134 WeakPolarHBondContact CE-OE2 3.43Å; K93-E134 IonicContact NZ-OE1 3.95Å; K93-E134 PolarHBondContact NZ-OE1 3.12Å; K93-E134 IonicContact NZ-OE2 3.99Å; K93-E134 PolarHBondContact NZ-OE2 3.43Å; K93-I137 HydrophobicContact CD-CD1 4.26Å; K93-I137 HydrophobicContact CD-CG2 4.32Å
94N91.7Very high91.5Very high143 Ų14349.2 Ų49.277%0.76527%0.266SS*.THydrogen-bonded Turntrans49.544.7-175.3-72.4-24.7000113.1I90 S91I90-N94 PolarHBondContact O-N 3.4Å; I90-N94 VanDerWaalsContact O-N 3.12Å; S91-N94 PolarHBondContact O-N 2.99Å; S91-N94 PolarHBondContact O-OD1 3.08Å
95L91.2Very high91.3Very high25 Ų2543.4 Ų43.413%0.13123%0.234CC..  trans-74141.1177.5-63.6172.2000110.7I90 K93 V100 I137I90-L95 HydrophobicContact CG2-CB 4.27Å; I90-L95 PolarHBondContact O-N 3.19Å; K93-L95 VanDerWaalsContact C-N 3.26Å; K93-L95 HydrophobicContact CB-CD1 4.37Å; K93-L95 HydrophobicContact CB-CD2 4.45Å; K93-L95 HydrophobicContact CB-CG 3.94Å; K93-L95 PolarHBondContact O-N 3.12Å; L95-V100 HydrophobicContact CB-CG2 3.82Å; L95-V100 HydrophobicContact CD1-CG2 4.28Å; L95-I137 HydrophobicContact CD1-CD1 3.58Å; L95-I137 HydrophobicContact CD1-CG1 3.86Å; L95-I137 HydrophobicContact CD1-CG2 4.37Å; L95-I137 HydrophobicContact CD2-CG2 4.48Å
96S90.9Very high91Very high42 Ų4242.2 Ų42.229%0.29423%0.228SC..  trans-73.6157.9176.276.20000111.7E98 Q99 V100S96-E98 PolarHBondContact O-N 3.07Å; S96-Q99 PolarHBondContact O-N 2.79Å; S96-Q99 VanDerWaalsContact OG-CG 3.23Å; S96-Q99 WeakPolarHBondContact OG-CG 3.33Å; S96-Q99 PolarHBondContact OG-N 3.48Å; S96-V100 WeakPolarHBondContact O-CG2 3.3Å; S96-V100 PolarHBondContact O-N 3.13Å; S96-V100 VanDerWaalsContact O-N 3.13Å
97L90.4Very high90.7Very high10 Ų1043.3 Ų43.35%0.05223%0.232CC..Hα-helixtrans-58.9-39.7178.2-174149.2000111.3Q77 R79 V100 G101 W107 V162 E164Q77-L97 HydrophobicContact CG-CD2 3.97Å; R79-L97 HydrophobicContact CB-CD1 4.5Å; R79-L97 HydrophobicContact CB-CD2 4.05Å; R79-L97 HydrophobicContact CB-CG 4.1Å; R79-L97 HydrophobicContact CG-CD1 4.05Å; R79-L97 HydrophobicContact CG-CD2 4.3Å; R79-L97 HydrophobicContact CG-CG 3.78Å; L97-V100 PolarHBondContact O-N 3.28Å; L97-G101 PolarHBondContact O-N 2.67Å; L97-W107 HydrophobicContact CD2-CH2 3.26Å; L97-W107 HydrophobicContact CD2-CZ2 4.02Å; L97-W107 HydrophobicContact CD2-CZ3 3.9Å; L97-V162 WeakPolarHBondContact CD1-O 3.39Å; L97-E164 HydrophobicContact CB-CB 3.95Å; L97-E164 WeakPolarHBondContact CB-OE2 3.47Å; L97-E164 HydrophobicContact CD1-CB 3.41Å; L97-E164 VanDerWaalsContact CD1-CB 3.41Å; L97-E164 HydrophobicContact CG-CB 4.2Å
98E87.8Confident90Very high62 Ų6246 Ų4629%0.2924%0.243SC..Hα-helixtrans-64.5-44.5178.4-63.7-169.9161.500112.4Q77 S96 V100 G101 I102 W107 K110Q77-E98 PolarHBondContact NE2-OE1 3.03Å; S96-E98 PolarHBondContact O-N 3.07Å; E98-V100 VanDerWaalsContact C-N 3.34Å; E98-V100 PolarHBondContact O-N 2.91Å; E98-G101 PolarHBondContact O-N 3.33Å; E98-I102 VanDerWaalsContact O-CG1 3.29Å; E98-I102 WeakPolarHBondContact O-CG1 3.26Å; E98-I102 PolarHBondContact O-N 3.19Å; E98-W107 HydrophobicContact CG-CZ3 4.38Å; E98-K110 WeakPolarHBondContact OE1-CE 3.48Å; E98-K110 IonicContact OE1-NZ 3.83Å; E98-K110 PolarHBondContact OE1-NZ 3Å; E98-K110 IonicContact OE2-NZ 2.7Å
99Q89.4Confident89Confident54 Ų5445.2 Ų45.225%0.25224%0.239SC..Hα-helixtrans-59-48177.7-73.1171.4-18.800110.8S96 I102 I103 Y140S96-Q99 PolarHBondContact O-N 2.79Å; S96-Q99 VanDerWaalsContact OG-CG 3.23Å; S96-Q99 WeakPolarHBondContact OG-CG 3.33Å; S96-Q99 PolarHBondContact OG-N 3.48Å; Q99-I102 PolarHBondContact O-N 3.43Å; Q99-I103 WeakPolarHBondContact O-CG1 3.4Å; Q99-I103 PolarHBondContact O-N 2.95Å; Q99-Y140 HydrophobicContact CB-CE1 4.24Å; Q99-Y140 HydrophobicContact CG-CE1 3.73Å
100V92.2Very high87.9Confident0 Ų050.4 Ų50.40%026%0.261CS..Hα-helixtrans-64.7-43177.4179.30000110.6I90 L95 S96 L97 E98 I102 I103 I104 F133I90-V100 HydrophobicContact CD1-CG1 3.8Å; I90-V100 HydrophobicContact CD1-CG2 4.1Å; I90-V100 HydrophobicContact CG1-CG2 4.11Å; I90-V100 HydrophobicContact CG2-CG2 3.85Å; L95-V100 HydrophobicContact CB-CG2 3.82Å; L95-V100 HydrophobicContact CD1-CG2 4.28Å; S96-V100 WeakPolarHBondContact O-CG2 3.3Å; S96-V100 PolarHBondContact O-N 3.13Å; S96-V100 VanDerWaalsContact O-N 3.13Å; L97-V100 PolarHBondContact O-N 3.28Å; E98-V100 VanDerWaalsContact C-N 3.34Å; E98-V100 PolarHBondContact O-N 2.91Å; V100-I102 VanDerWaalsContact C-N 3.35Å; V100-I102 PolarHBondContact O-N 3.4Å; V100-I103 PolarHBondContact O-N 2.99Å; V100-I103 VanDerWaalsContact O-N 3.12Å; V100-I104 HydrophobicContact CG1-CD1 4.12Å; V100-I104 HydrophobicContact CG1-CG2 4.2Å; V100-I104 WeakPolarHBondContact O-CG1 3.27Å; V100-I104 PolarHBondContact O-N 2.83Å; V100-F133 HydrophobicContact CG1-CZ 4.37Å
101G90.8Very high86.6Confident0 Ų056 Ų560%030%0.296CS..Hα-helixtrans-56.3-44.7178.300000113.3L97 E98 I103 I104 G105 W107L97-G101 PolarHBondContact O-N 2.67Å; E98-G101 PolarHBondContact O-N 3.33Å; G101-I103 VanDerWaalsContact C-N 3.31Å; G101-I103 PolarHBondContact O-N 3.48Å; G101-I104 PolarHBondContact O-N 2.93Å; G101-G105 PolarHBondContact O-N 3.41Å; G101-W107 VanDerWaalsContact C-CD1 3.44Å
102I89.1Confident85.6Confident23 Ų2355.4 Ų55.412%0.11829%0.286CS..Hα-helixtrans-63.4-35.2176.3-66.5163.3000112.3E98 Q99 V100 W107 N109 Y140 F145E98-I102 VanDerWaalsContact O-CG1 3.29Å; E98-I102 WeakPolarHBondContact O-CG1 3.26Å; E98-I102 PolarHBondContact O-N 3.19Å; Q99-I102 PolarHBondContact O-N 3.43Å; V100-I102 VanDerWaalsContact C-N 3.35Å; V100-I102 PolarHBondContact O-N 3.4Å; I102-W107 HydrophobicContact CG1-CB 3.91Å; I102-N109 WeakPolarHBondContact CD1-OD1 3.43Å; I102-Y140 HydrophobicContact CB-CE2 4.29Å; I102-Y140 HydrophobicContact CD1-CE2 4.37Å; I102-Y140 HydrophobicContact CG2-CD2 4.47Å; I102-Y140 HydrophobicContact CG2-CE2 3.91Å; I102-F145 HydrophobicContact CG2-CD1 3.98Å; I102-F145 HydrophobicContact CG2-CE1 3.67Å
103I90.6Very high84.2Confident2 Ų254.3 Ų54.31%0.0129%0.291CS..Hα-helixtrans-73.2-48.8178.2-65.7165.8000110.9Q99 V100 G101 W128 F133 E136 I137 Y140 F145Q99-I103 WeakPolarHBondContact O-CG1 3.4Å; Q99-I103 PolarHBondContact O-N 2.95Å; V100-I103 PolarHBondContact O-N 2.99Å; V100-I103 VanDerWaalsContact O-N 3.12Å; G101-I103 VanDerWaalsContact C-N 3.31Å; G101-I103 PolarHBondContact O-N 3.48Å; I103-W128 HydrophobicContact CG2-CH2 4.16Å; I103-W128 HydrophobicContact CG2-CZ3 4.17Å; I103-W128 WeakPolarHBondContact O-CH2 3.26Å; I103-F133 HydrophobicContact CG2-CD2 4.22Å; I103-F133 HydrophobicContact CG2-CE2 4.03Å; I103-E136 HydrophobicContact CG2-CB 3.62Å; I103-E136 HydrophobicContact CG2-CG 4.23Å; I103-I137 HydrophobicContact CD1-CG1 3.92Å; I103-Y140 HydrophobicContact CD1-CG 4.32Å; I103-Y140 HydrophobicContact CG1-CD2 4.21Å; I103-Y140 HydrophobicContact CG1-CG 4.48Å; I103-F145 HydrophobicContact CB-CZ 4.33Å; I103-F145 HydrophobicContact CG1-CE2 4Å; I103-F145 HydrophobicContact CG1-CZ 3.87Å
104I91.4Very high82.9Confident1 Ų155.6 Ų55.61%0.00530%0.301CS..Hα-helixtrans-88.6-19.9-167.571.6176.4000114.8C80 L82 V100 G101 Q123 Y124 W128 F133C80-I104 HydrophobicContact CB-CD1 4.22Å; L82-I104 HydrophobicContact CD1-CD1 4.26Å; L82-I104 HydrophobicContact CD1-CG2 3.63Å; L82-I104 HydrophobicContact CD2-CG2 4.35Å; L82-I104 HydrophobicContact CG-CD1 4.28Å; L82-I104 HydrophobicContact CG-CG2 4.44Å; V100-I104 HydrophobicContact CG1-CD1 4.12Å; V100-I104 HydrophobicContact CG1-CG2 4.2Å; V100-I104 WeakPolarHBondContact O-CG1 3.27Å; V100-I104 PolarHBondContact O-N 2.83Å; G101-I104 PolarHBondContact O-N 2.93Å; I104-Q123 WeakPolarHBondContact O-CA 3.06Å; I104-Y124 WeakPolarHBondContact O-CD2 3.34Å; I104-Y124 PolarHBondContact O-N 2.88Å; I104-W128 VanDerWaalsContact CA-CZ2 3.47Å; I104-W128 HydrophobicContact CB-CH2 4.46Å; I104-W128 HydrophobicContact CB-CZ2 3.93Å; I104-W128 HydrophobicContact CG2-CD2 4.47Å; I104-W128 HydrophobicContact CG2-CH2 4.24Å; I104-W128 HydrophobicContact CG2-CZ2 4.06Å; I104-F133 HydrophobicContact CG2-CD2 4.4Å; I104-F133 HydrophobicContact CG2-CE2 3.9Å
105G89.5Confident81.4Confident0 Ų053.1 Ų53.10%028%0.282CS..SBendtrans-140.2173.3-175.800000112.2G101 W107 Y124G101-G105 PolarHBondContact O-N 3.41Å; G105-W107 PolarHBondContact O-N 3.43Å; G105-Y124 WeakPolarHBondContact O-CE2 3.21Å
106P85.8Confident79.9Confident49 Ų4955.6 Ų55.632%0.31830%0.298SS..  trans-77.451179.836.3-39.8000111.4Y124 I154P106-Y124 WeakPolarHBondContact CA-OH 3.3Å; P106-Y124 HydrophobicContact CB-CE1 4.25Å; P106-I154 HydrophobicContact CG-CG2 4.06Å
107W86.6Confident78.4Confident24 Ų2462.5 Ų62.59%0.09133%0.326CS..PPolyproline II helixtrans-75137.2176.9-73.149.9000110Q77 Q78 R79 L97 E98 G101 I102 G105 N119 G120Q77-W107 HydrophobicContact CG-CH2 4.28Å; Q78-W107 VanDerWaalsContact O-CH2 3.31Å; Q78-W107 WeakPolarHBondContact O-CH2 3.34Å; Q78-W107 WeakPolarHBondContact O-CZ2 3.38Å; R79-W107 HydrophobicContact CB-CH2 4.47Å; R79-W107 HydrophobicContact CB-CZ2 3.77Å; L97-W107 HydrophobicContact CD2-CH2 3.26Å; L97-W107 HydrophobicContact CD2-CZ2 4.02Å; L97-W107 HydrophobicContact CD2-CZ3 3.9Å; E98-W107 HydrophobicContact CG-CZ3 4.38Å; G101-W107 VanDerWaalsContact C-CD1 3.44Å; I102-W107 HydrophobicContact CG1-CB 3.91Å; G105-W107 PolarHBondContact O-N 3.43Å; W107-N119 HydrophobicContact CD2-CB 3.83Å; W107-N119 HydrophobicContact CE3-CB 3.98Å; W107-N119 HydrophobicContact CG-CB 4.15Å; W107-N119 HydrophobicContact CZ3-CB 4.35Å; W107-G120 VanDerWaalsContact CE2-CA 3.45Å; W107-G120 VanDerWaalsContact CE2-N 3.26Å; W107-G120 VanDerWaalsContact NE1-CA 3.34Å; W107-G120 VanDerWaalsContact NE1-N 3.11Å
108K78.1Confident76.8Confident86 Ų8667.6 Ų67.637%0.37435%0.351SS..PPolyproline II helixtrans-103.7149.7173.9-67.4179.3-174.1171.40109.9D112 N114 N119K108-D112 HydrophobicContact CB-CB 4.14Å; K108-D112 WeakPolarHBondContact CB-OD2 3.31Å; K108-N114 HydrophobicContact CD-CB 4.19Å; K108-N114 WeakPolarHBondContact CD-O 3.43Å; K108-N119 PolarHBondContact O-ND2 3.49Å
109N72.9Confident76.1Confident86 Ų8665.4 Ų65.446%0.4634%0.341SS..PPolyproline II helixtrans-65.7151.4175-81.7-21.8000109.9I102 T111 D112I102-N109 WeakPolarHBondContact CD1-OD1 3.43Å; N109-T111 PolarHBondContact O-N 3.38Å; N109-D112 PolarHBondContact N-OD2 3.41Å; N109-D112 VanDerWaalsContact N-OD2 3.11Å; N109-D112 WeakPolarHBondContact O-CB 3.12Å; N109-D112 PolarHBondContact O-N 3.39Å
110K69Low75.9Confident131 Ų13162.9 Ų62.957%0.5733%0.329SS*.THydrogen-bonded Turntrans-57.3-22.9176.6-72.5176.6-178.4157.60113.2E98 D112 Y115E98-K110 WeakPolarHBondContact OE1-CE 3.48Å; E98-K110 IonicContact OE1-NZ 3.83Å; E98-K110 PolarHBondContact OE1-NZ 3Å; E98-K110 IonicContact OE2-NZ 2.7Å; K110-D112 VanDerWaalsContact C-N 3.33Å; K110-Y115 HydrophobicContact CG-CD2 4.37Å; K110-Y115 HydrophobicContact CG-CE2 3.85Å
111T67.4Low75.8Confident128 Ų12863.1 Ų63.179%0.78533%0.331SS*.THydrogen-bonded Turntrans-78-14.2176.952.50000113.9N109N109-T111 PolarHBondContact O-N 3.38Å
112D68Low75.8Confident71 Ų7166.6 Ų66.638%0.3835%0.345SS..SBendtrans-76.6131.4-178.3-68-29.7000110.7K108 N109 K110 N114 Y115K108-D112 HydrophobicContact CB-CB 4.14Å; K108-D112 WeakPolarHBondContact CB-OD2 3.31Å; N109-D112 PolarHBondContact N-OD2 3.41Å; N109-D112 VanDerWaalsContact N-OD2 3.11Å; N109-D112 WeakPolarHBondContact O-CB 3.12Å; N109-D112 PolarHBondContact O-N 3.39Å; K110-D112 VanDerWaalsContact C-N 3.33Å; D112-N114 PolarHBondContact O-N 3Å; D112-N114 VanDerWaalsContact O-N 3.08Å; D112-Y115 WeakPolarHBondContact O-CB 3.41Å; D112-Y115 PolarHBondContact O-N 3.02Å
113S63.8Low76Confident123 Ų12366.2 Ų66.286%0.8634%0.342SS*.THydrogen-bonded Turntrans-58.7-23.1178.553.70000114
114N64.8Low76Confident107 Ų10766.3 Ų66.357%0.57234%0.343SS*.THydrogen-bonded Turntrans-98.822.7176.6-75.5-28.9000113K108 D112 T116K108-N114 HydrophobicContact CD-CB 4.19Å; K108-N114 WeakPolarHBondContact CD-O 3.43Å; D112-N114 PolarHBondContact O-N 3Å; D112-N114 VanDerWaalsContact O-N 3.08Å; N114-T116 PolarHBondContact O-N 3.03Å; N114-T116 VanDerWaalsContact O-N 3.15Å
115Y59.1Low76.1Confident91 Ų9171.7 Ų71.736%0.35737%0.366SS..  trans-58.8115172-178.4-91.3000109.6K110 D112 N119K110-Y115 HydrophobicContact CG-CD2 4.37Å; K110-Y115 HydrophobicContact CG-CE2 3.85Å; D112-Y115 WeakPolarHBondContact O-CB 3.41Å; D112-Y115 PolarHBondContact O-N 3.02Å; Y115-N119 WeakPolarHBondContact CD2-ND2 3.36Å; Y115-N119 WeakPolarHBondContact CE2-ND2 3.35Å
116T60Low76.1Confident77 Ų7773.4 Ų73.447%0.47238%0.375SS..  trans-105.7143.617458.30000109.7N114 M118 N119N114-T116 PolarHBondContact O-N 3.03Å; N114-T116 VanDerWaalsContact O-N 3.15Å; T116-M118 PolarHBondContact O-N 2.98Å; T116-N119 VanDerWaalsContact O-CG 3.29Å; T116-N119 PolarHBondContact O-N 3.47Å; T116-N119 PolarHBondContact O-OD1 3.32Å
117Q58.9Low76.4Confident188 Ų18878.4 Ų78.488%0.87940%0.399SS*.THydrogen-bonded Turntrans-63.3-2.2175.7-133.5167.15.900113.4
118M57.5Low76.6Confident117 Ų11778.6 Ų78.658%0.57640%0.4SS*.THydrogen-bonded Turntrans-90.13177.4-82175.8160.300114T116 G120 C121T116-M118 PolarHBondContact O-N 2.98Å; M118-G120 PolarHBondContact O-N 3.08Å; M118-G120 VanDerWaalsContact O-N 3.08Å; M118-C121 PolarHBondContact O-N 3.25Å
119N72.4Confident77.3Confident15 Ų1578.2 Ų78.28%0.0841%0.405CS..THydrogen-bonded Turntrans-54.5116.6170-70.3-8.6000108.8W107 K108 Y115 T116W107-N119 HydrophobicContact CD2-CB 3.83Å; W107-N119 HydrophobicContact CE3-CB 3.98Å; W107-N119 HydrophobicContact CG-CB 4.15Å; W107-N119 HydrophobicContact CZ3-CB 4.35Å; K108-N119 PolarHBondContact O-ND2 3.49Å; Y115-N119 WeakPolarHBondContact CD2-ND2 3.36Å; Y115-N119 WeakPolarHBondContact CE2-ND2 3.35Å; T116-N119 VanDerWaalsContact O-CG 3.29Å; T116-N119 PolarHBondContact O-N 3.47Å; T116-N119 PolarHBondContact O-OD1 3.32Å
120G86Confident78.2Confident1 Ų178.6 Ų78.61%0.0140%0.404CS..THydrogen-bonded Turntrans113.1-10.1178.400000117.1Q78 W107 M118 C157Q78-G120 VanDerWaalsContact O-CA 3.28Å; Q78-G120 WeakPolarHBondContact O-CA 3.09Å; W107-G120 VanDerWaalsContact CE2-CA 3.45Å; W107-G120 VanDerWaalsContact CE2-N 3.26Å; W107-G120 VanDerWaalsContact NE1-CA 3.34Å; W107-G120 VanDerWaalsContact NE1-N 3.11Å; M118-G120 PolarHBondContact O-N 3.08Å; M118-G120 VanDerWaalsContact O-N 3.08Å; G120-C157 PolarHBondContact O-SG 3.33Å
121C90.6Very high79.3Confident6 Ų678.8 Ų78.84%0.04141%0.411CS..SBendtrans-84.4-18.8178.2-66.20000114.5M118 C157 C182M118-C121 PolarHBondContact O-N 3.25Å; C121-C157 PolarHBondContact O-N 3.1Å; C121-C157 PolarHBondContact O-SG 2.95Å; C121-C182 WeakPolarHBondContact CA-SG 3.3Å; C121-C182 HydrophobicContact CB-CB 3.56Å; C121-C182 WeakPolarHBondContact CB-SG 3.47Å; C121-C182 WeakPolarHBondContact SG-CA 3.29Å; C121-C182 WeakPolarHBondContact SG-CB 3.34Å; C121-C182 CovalentContact SG-SG 2.02Å; C121-C182 PolarHBondContact SG-SG 3.38Å
122Y91.1Very high80.5Confident73 Ų7374.5 Ų74.529%0.28638%0.383SS..EExtended strand (participates in β ladder)trans-131.9147.9-173.7-60-86.6000110.3I154 I155Y122-I154 HydrophobicContact CD1-CD1 4.29Å; Y122-I154 HydrophobicContact CG-CD1 4.26Å; Y122-I155 VanDerWaalsContact CA-O 3.31Å; Y122-I155 WeakPolarHBondContact CA-O 3.49Å
123Q91.7Very high81.7Confident14 Ų1471.1 Ų71.17%0.06537%0.365CS..EExtended strand (participates in β ladder)trans-127.5158.5172.459.1-177.4-13.400109.7C80 I104 I154 I155C80-Q123 HydrophobicContact CB-CB 4.19Å; C80-Q123 HydrophobicContact CB-CG 4.34Å; I104-Q123 WeakPolarHBondContact O-CA 3.06Å; Q123-I154 WeakPolarHBondContact O-CA 3.49Å; Q123-I155 HydrophobicContact CG-CD1 4.36Å; Q123-I155 HydrophobicContact CG-CG1 3.92Å; Q123-I155 PolarHBondContact N-O 3.3Å; Q123-I155 PolarHBondContact O-N 3.44Å
124Y92.4Very high83Confident4 Ų467.4 Ų67.42%0.01633%0.334CS..EExtended strand (participates in β ladder)trans-63.4137.7171.8-62.6-64.5000110.1I104 G105 P106 L126 S147 F149 M150 I154I104-Y124 WeakPolarHBondContact O-CD2 3.34Å; I104-Y124 PolarHBondContact O-N 2.88Å; G105-Y124 WeakPolarHBondContact O-CE2 3.21Å; P106-Y124 WeakPolarHBondContact CA-OH 3.3Å; P106-Y124 HydrophobicContact CB-CE1 4.25Å; Y124-L126 VanDerWaalsContact C-N 3.26Å; Y124-L126 PolarHBondContact O-N 2.8Å; Y124-S147 PolarHBondContact OH-OG 3.15Å; Y124-F149 HydrophobicContact CD1-CB 4.13Å; Y124-F149 VanDerWaalsContact CD1-O 3.24Å; Y124-F149 WeakPolarHBondContact CD1-O 3.38Å; Y124-F149 HydrophobicContact CD2-CB 4.02Å; Y124-F149 HydrophobicContact CE1-CB 4.44Å; Y124-F149 WeakPolarHBondContact CE1-O 3.09Å; Y124-F149 HydrophobicContact CE2-CB 4.34Å; Y124-F149 HydrophobicContact CG-CB 3.91Å; Y124-M150 PolarHBondContact OH-SD 3.06Å; Y124-I154 HydrophobicContact CD1-CG2 4.2Å; Y124-I154 HydrophobicContact CE1-CG2 4.47Å
125K92.7Very high84.4Confident114 Ų11466.6 Ų66.650%0.49633%0.327SS..SBendtrans-72.582.9177.3-170.9-178.2177.9-178.20109.6Q153 I155K125-Q153 HydrophobicContact CB-CB 4.19Å; K125-Q153 WeakPolarHBondContact CB-O 3.37Å; K125-Q153 HydrophobicContact CD-CB 4.17Å; K125-Q153 PolarHBondContact N-O 3.09Å; K125-I155 HydrophobicContact CB-CD1 4.49Å; K125-I155 HydrophobicContact CB-CG1 4.24Å; K125-I155 HydrophobicContact CB-CG2 3.92Å; K125-I155 HydrophobicContact CD-CG2 3.93Å; K125-I155 HydrophobicContact CG-CD1 4.38Å; K125-I155 HydrophobicContact CG-CG2 3.85Å
126L90.3Very high85.8Confident36 Ų3662.4 Ų62.419%0.18831%0.311CS..  trans-140.1145.5-176-69.9166.1000109.9Y124 W128 F149 Y152Y124-L126 VanDerWaalsContact C-N 3.26Å; Y124-L126 PolarHBondContact O-N 2.8Å; L126-W128 HydrophobicContact CD1-CH2 4.25Å; L126-W128 HydrophobicContact CD1-CZ2 3.88Å; L126-W128 PolarHBondContact O-N 3.5Å; L126-F149 HydrophobicContact CD1-CB 3.87Å; L126-F149 HydrophobicContact CD1-CD1 3.54Å; L126-F149 HydrophobicContact CD1-CD2 3.63Å; L126-F149 HydrophobicContact CD1-CE1 3.95Å; L126-F149 HydrophobicContact CD1-CE2 4.02Å; L126-F149 HydrophobicContact CD1-CG 3.37Å; L126-F149 HydrophobicContact CD1-CZ 4.18Å; L126-F149 HydrophobicContact CD2-CD1 4.01Å; L126-F149 HydrophobicContact CD2-CE1 4.16Å; L126-F149 HydrophobicContact CG-CD1 4.39Å; L126-Y152 HydrophobicContact CD2-CD1 3.48Å; L126-Y152 VanDerWaalsContact CD2-CD1 3.48Å; L126-Y152 HydrophobicContact CD2-CE1 3.37Å; L126-Y152 HydrophobicContact CD2-CG 4.47Å; L126-Y152 HydrophobicContact CG-CD1 4.08Å; L126-Y152 HydrophobicContact CG-CE1 4.43Å
127N90.8Very high87.4Confident155 Ų15558.8 Ų58.883%0.82929%0.288SS*.  trans-81.694.8164.7-75.6-9.9000108T129N127-T129 PolarHBondContact O-N 2.97Å
128W90.7Very high88.9Confident28 Ų2854.5 Ų54.511%0.10627%0.268CS..  trans-64.4116175.9-67.298.8000110.2L82 I86 I103 I104 L126 L132 F133 E136 F149L82-W128 HydrophobicContact CD2-CB 4.13Å; L82-W128 VanDerWaalsContact CD2-CD1 3.42Å; L82-W128 HydrophobicContact CD2-CD2 4.41Å; L82-W128 HydrophobicContact CD2-CG 3.72Å; I86-W128 HydrophobicContact CD1-CB 3.53Å; I86-W128 WeakPolarHBondContact CD1-O 3.49Å; I103-W128 HydrophobicContact CG2-CH2 4.16Å; I103-W128 HydrophobicContact CG2-CZ3 4.17Å; I103-W128 WeakPolarHBondContact O-CH2 3.26Å; I104-W128 VanDerWaalsContact CA-CZ2 3.47Å; I104-W128 HydrophobicContact CB-CH2 4.46Å; I104-W128 HydrophobicContact CB-CZ2 3.93Å; I104-W128 HydrophobicContact CG2-CD2 4.47Å; I104-W128 HydrophobicContact CG2-CH2 4.24Å; I104-W128 HydrophobicContact CG2-CZ2 4.06Å; L126-W128 HydrophobicContact CD1-CH2 4.25Å; L126-W128 HydrophobicContact CD1-CZ2 3.88Å; L126-W128 PolarHBondContact O-N 3.5Å; W128-L132 HydrophobicContact CE3-CD2 4.35Å; W128-F133 HydrophobicContact CE3-CB 4.42Å; W128-F133 HydrophobicContact CE3-CD2 4.04Å; W128-F133 HydrophobicContact CZ3-CD2 4.2Å; W128-E136 HydrophobicContact CZ3-CG 4.42Å; W128-F149 HydrophobicContact CH2-CD2 4.38Å; W128-F149 HydrophobicContact CH2-CE2 4.35Å
129T92.4Very high90.5Very high77 Ų7750.9 Ų50.947%0.47225%0.253SS..  trans-105.8158.8170.1610000109.8N127 N131 L132 F133N127-T129 PolarHBondContact O-N 2.97Å; T129-N131 PolarHBondContact O-N 3.27Å; T129-L132 PolarHBondContact O-N 3.36Å; T129-L132 VanDerWaalsContact OG1-CB 3.26Å; T129-L132 WeakPolarHBondContact OG1-CB 3.16Å; T129-L132 PolarHBondContact OG1-N 3.46Å; T129-F133 WeakPolarHBondContact O-CB 3.31Å; T129-F133 PolarHBondContact O-N 2.9Å
130E91.9Very high91.2Very high94 Ų9453.1 Ų53.144%0.43926%0.26SS..Hα-helixtrans-56.8-49.1-179.6-63.3169.6-152.600111.7T85 I89 L132 F133 E134T85-E130 HydrophobicContact CG2-CG 4.29Å; T85-E130 WeakPolarHBondContact CG2-OE1 3.28Å; I89-E130 HydrophobicContact CD1-CB 3.98Å; I89-E130 HydrophobicContact CD1-CG 3.77Å; E130-L132 VanDerWaalsContact C-N 3.35Å; E130-L132 PolarHBondContact O-N 3.25Å; E130-F133 PolarHBondContact O-N 2.92Å; E130-E134 WeakPolarHBondContact O-CB 3.04Å; E130-E134 WeakPolarHBondContact O-CG 3.47Å; E130-E134 PolarHBondContact O-N 2.92Å
131N93.4Very high91.3Very high135 Ų13558.2 Ų58.272%0.72229%0.287SS*.Hα-helixtrans-61.6-42.3179.8-65.8-14.4000112.3T129 E135T129-N131 PolarHBondContact O-N 3.27Å; N131-E135 WeakPolarHBondContact O-CB 3.19Å; N131-E135 PolarHBondContact O-N 3.4Å
132L92.6Very high91.4Very high39 Ų3966 Ų6620%0.20432%0.32CS..Hα-helixtrans-64.4-45.1178.8-17768.6000110.6W128 T129 E130 E135 E136 F149W128-L132 HydrophobicContact CE3-CD2 4.35Å; T129-L132 PolarHBondContact O-N 3.36Å; T129-L132 VanDerWaalsContact OG1-CB 3.26Å; T129-L132 WeakPolarHBondContact OG1-CB 3.16Å; T129-L132 PolarHBondContact OG1-N 3.46Å; E130-L132 VanDerWaalsContact C-N 3.35Å; E130-L132 PolarHBondContact O-N 3.25Å; L132-E135 PolarHBondContact O-N 2.9Å; L132-E136 WeakPolarHBondContact O-CG 3.49Å; L132-E136 PolarHBondContact O-N 3.32Å; L132-E136 VanDerWaalsContact O-N 3.16Å; L132-F149 HydrophobicContact CD1-CZ 4.16Å
133F92.6Very high91Very high0 Ų065.9 Ų65.90%034%0.341CS..Hα-helixtrans-66.8-41.8-179.6-173.8-109.9000112L82 I86 I90 V100 I103 I104 W128 T129 E130 E135 E136 I137L82-F133 HydrophobicContact CD1-CE2 4.21Å; I86-F133 HydrophobicContact CG2-CB 4.41Å; I86-F133 HydrophobicContact CG2-CD1 3.47Å; I86-F133 VanDerWaalsContact CG2-CD1 3.47Å; I86-F133 HydrophobicContact CG2-CD2 4.19Å; I86-F133 HydrophobicContact CG2-CE1 3.62Å; I86-F133 HydrophobicContact CG2-CE2 4.35Å; I86-F133 HydrophobicContact CG2-CG 3.76Å; I86-F133 HydrophobicContact CG2-CZ 4.09Å; I90-F133 HydrophobicContact CD1-CE1 3.99Å; I90-F133 HydrophobicContact CD1-CZ 3.7Å; I90-F133 HydrophobicContact CG1-CE1 3.47Å; I90-F133 VanDerWaalsContact CG1-CE1 3.47Å; I90-F133 HydrophobicContact CG1-CZ 3.54Å; V100-F133 HydrophobicContact CG1-CZ 4.37Å; I103-F133 HydrophobicContact CG2-CD2 4.22Å; I103-F133 HydrophobicContact CG2-CE2 4.03Å; I104-F133 HydrophobicContact CG2-CD2 4.4Å; I104-F133 HydrophobicContact CG2-CE2 3.9Å; W128-F133 HydrophobicContact CE3-CB 4.42Å; W128-F133 HydrophobicContact CE3-CD2 4.04Å; W128-F133 HydrophobicContact CZ3-CD2 4.2Å; T129-F133 WeakPolarHBondContact O-CB 3.31Å; T129-F133 PolarHBondContact O-N 2.9Å; E130-F133 PolarHBondContact O-N 2.92Å; F133-E135 PolarHBondContact O-N 3.49Å; F133-E136 PolarHBondContact O-N 2.88Å; F133-I137 HydrophobicContact CD1-CD1 3.42Å; F133-I137 VanDerWaalsContact CD1-CD1 3.42Å; F133-I137 HydrophobicContact CD1-CG1 4.3Å; F133-I137 HydrophobicContact CE1-CD1 3.15Å; F133-I137 HydrophobicContact CE1-CG1 4.02Å; F133-I137 HydrophobicContact CE2-CD1 4.48Å; F133-I137 HydrophobicContact CG-CD1 4.23Å; F133-I137 HydrophobicContact CZ-CD1 3.73Å; F133-I137 HydrophobicContact CZ-CG1 4.12Å; F133-I137 WeakPolarHBondContact O-CG1 3.49Å; F133-I137 PolarHBondContact O-N 3.25Å
134E92.2Very high90.6Very high44 Ų4469 Ų6921%0.20636%0.364CS..Hα-helixtrans-60.9-41.8174.2-76.5-74.1-178.300112.2I89 K93 E130 E136 I137 H138I89-E134 WeakPolarHBondContact CG2-OE1 3.3Å; K93-E134 WeakPolarHBondContact CE-OE1 3.44Å; K93-E134 WeakPolarHBondContact CE-OE2 3.43Å; K93-E134 IonicContact NZ-OE1 3.95Å; K93-E134 PolarHBondContact NZ-OE1 3.12Å; K93-E134 IonicContact NZ-OE2 3.99Å; K93-E134 PolarHBondContact NZ-OE2 3.43Å; E130-E134 WeakPolarHBondContact O-CB 3.04Å; E130-E134 WeakPolarHBondContact O-CG 3.47Å; E130-E134 PolarHBondContact O-N 2.92Å; E134-E136 PolarHBondContact O-N 3.24Å; E134-I137 PolarHBondContact O-N 3.4Å; E134-H138 WeakPolarHBondContact O-CB 3.26Å; E134-H138 PolarHBondContact O-CD2 3.13Å; E134-H138 PolarHBondContact O-N 3.46Å; E134-H138 IonicContact OE2-NE2 3.23Å
135E92.3Very high90.1Very high91 Ų9170.8 Ų70.843%0.42537%0.372SS..Hα-helixtrans-61.4-43176.5-168.1-170.117600112.1N131 L132 F133 H138 T139 R148N131-E135 WeakPolarHBondContact O-CB 3.19Å; N131-E135 PolarHBondContact O-N 3.4Å; L132-E135 PolarHBondContact O-N 2.9Å; F133-E135 PolarHBondContact O-N 3.49Å; E135-H138 PolarHBondContact O-N 3.25Å; E135-T139 WeakPolarHBondContact O-CB 3.39Å; E135-T139 PolarHBondContact O-N 3.21Å; E135-T139 PolarHBondContact O-OG1 2.96Å; E135-R148 VanDerWaalsContact CD-NH1 3.33Å; E135-R148 IonicContact OE1-CZ 2.63Å; E135-R148 IonicContact OE1-NH1 3.57Å; E135-R148 PolarHBondContact OE1-NH1 3.32Å; E135-R148 IonicContact OE1-NH2 2.72Å; E135-R148 PolarHBondContact OE1-NH2 3.49Å; E135-R148 IonicContact OE2-CZ 3.13Å; E135-R148 IonicContact OE2-NH1 3.63Å; E135-R148 PolarHBondContact OE2-NH1 2.87Å; E135-R148 IonicContact OE2-NH2 3.55Å; E135-R148 PolarHBondContact OE2-NH2 2.92Å
136E90.5Very high89.6Confident2 Ų273.4 Ų73.41%0.00939%0.386CS..Hα-helixtrans-66-43176.1-68.5-61145.300111.8I103 W128 L132 F133 E134 H138 T139 Y140 F145 R148 F149I103-E136 HydrophobicContact CG2-CB 3.62Å; I103-E136 HydrophobicContact CG2-CG 4.23Å; W128-E136 HydrophobicContact CZ3-CG 4.42Å; L132-E136 WeakPolarHBondContact O-CG 3.49Å; L132-E136 PolarHBondContact O-N 3.32Å; L132-E136 VanDerWaalsContact O-N 3.16Å; F133-E136 PolarHBondContact O-N 2.88Å; E134-E136 PolarHBondContact O-N 3.24Å; E136-H138 VanDerWaalsContact C-N 3.34Å; E136-H138 PolarHBondContact O-N 3.08Å; E136-T139 PolarHBondContact O-N 2.96Å; E136-Y140 WeakPolarHBondContact O-CB 3.41Å; E136-Y140 PolarHBondContact O-N 2.7Å; E136-F145 HydrophobicContact CB-CE2 4.42Å; E136-F145 VanDerWaalsContact OE2-CE2 3.23Å; E136-F145 WeakPolarHBondContact OE2-CE2 3.32Å; E136-R148 IonicContact OE1-CZ 2.85Å; E136-R148 IonicContact OE1-NE 2.75Å; E136-R148 PolarHBondContact OE1-NE 2.83Å; E136-R148 IonicContact OE1-NH2 3.45Å; E136-R148 PolarHBondContact OE1-NH2 3.11Å; E136-F149 HydrophobicContact CG-CE2 4.19Å; E136-F149 WeakPolarHBondContact OE1-CE2 3.5Å
137I91.7Very high89.1Confident1 Ų172.6 Ų72.61%0.00538%0.383CS..Hα-helixtrans-59.6-46.6174.2-69.2162.9000110.6K93 L95 I103 F133 E134 T139 Y140 L141K93-I137 HydrophobicContact CD-CD1 4.26Å; K93-I137 HydrophobicContact CD-CG2 4.32Å; L95-I137 HydrophobicContact CD1-CD1 3.58Å; L95-I137 HydrophobicContact CD1-CG1 3.86Å; L95-I137 HydrophobicContact CD1-CG2 4.37Å; L95-I137 HydrophobicContact CD2-CG2 4.48Å; I103-I137 HydrophobicContact CD1-CG1 3.92Å; F133-I137 HydrophobicContact CD1-CD1 3.42Å; F133-I137 VanDerWaalsContact CD1-CD1 3.42Å; F133-I137 HydrophobicContact CD1-CG1 4.3Å; F133-I137 HydrophobicContact CE1-CD1 3.15Å; F133-I137 HydrophobicContact CE1-CG1 4.02Å; F133-I137 HydrophobicContact CE2-CD1 4.48Å; F133-I137 HydrophobicContact CG-CD1 4.23Å; F133-I137 HydrophobicContact CZ-CD1 3.73Å; F133-I137 HydrophobicContact CZ-CG1 4.12Å; F133-I137 WeakPolarHBondContact O-CG1 3.49Å; F133-I137 PolarHBondContact O-N 3.25Å; E134-I137 PolarHBondContact O-N 3.4Å; I137-T139 VanDerWaalsContact C-N 3.27Å; I137-T139 PolarHBondContact O-N 3.36Å; I137-Y140 WeakPolarHBondContact O-CB 3.4Å; I137-Y140 PolarHBondContact O-N 3.45Å; I137-Y140 VanDerWaalsContact O-N 3.13Å; I137-L141 HydrophobicContact CG2-CD1 3.71Å; I137-L141 HydrophobicContact CG2-CG 4.14Å; I137-L141 WeakPolarHBondContact O-CG 3.2Å; I137-L141 PolarHBondContact O-N 3.35Å
138H91Very high88.9Confident99 Ų9971 Ų7146%0.45837%0.365SS..Hα-helixtrans-61.3-37.3179-80.9-58.9000112.2E134 E135 E136 K142E134-H138 WeakPolarHBondContact O-CB 3.26Å; E134-H138 PolarHBondContact O-CD2 3.13Å; E134-H138 PolarHBondContact O-N 3.46Å; E134-H138 IonicContact OE2-NE2 3.23Å; E135-H138 PolarHBondContact O-N 3.25Å; E136-H138 VanDerWaalsContact C-N 3.34Å; E136-H138 PolarHBondContact O-N 3.08Å; H138-K142 VanDerWaalsContact O-CG 3.31Å; H138-K142 WeakPolarHBondContact O-CG 3.18Å; H138-K142 PolarHBondContact O-N 3.12Å
139T90.5Very high88.7Confident41 Ų4170.3 Ų70.325%0.25236%0.364SS..Hα-helixtrans-70-37.8175-55.40000111.3E135 E136 I137 K142 F145E135-T139 WeakPolarHBondContact O-CB 3.39Å; E135-T139 PolarHBondContact O-N 3.21Å; E135-T139 PolarHBondContact O-OG1 2.96Å; E136-T139 PolarHBondContact O-N 2.96Å; I137-T139 VanDerWaalsContact C-N 3.27Å; I137-T139 PolarHBondContact O-N 3.36Å; T139-K142 PolarHBondContact O-N 3.25Å; T139-F145 HydrophobicContact CG2-CD2 4.43Å
140Y88.6Confident88.4Confident61 Ų6172.8 Ų72.824%0.23937%0.371CS..Hα-helixtrans-62.5-51.1175.9-171-84.7000112.3Q99 I102 I103 E136 I137 K142 G143 F145Q99-Y140 HydrophobicContact CB-CE1 4.24Å; Q99-Y140 HydrophobicContact CG-CE1 3.73Å; I102-Y140 HydrophobicContact CB-CE2 4.29Å; I102-Y140 HydrophobicContact CD1-CE2 4.37Å; I102-Y140 HydrophobicContact CG2-CD2 4.47Å; I102-Y140 HydrophobicContact CG2-CE2 3.91Å; I103-Y140 HydrophobicContact CD1-CG 4.32Å; I103-Y140 HydrophobicContact CG1-CD2 4.21Å; I103-Y140 HydrophobicContact CG1-CG 4.48Å; E136-Y140 WeakPolarHBondContact O-CB 3.41Å; E136-Y140 PolarHBondContact O-N 2.7Å; I137-Y140 WeakPolarHBondContact O-CB 3.4Å; I137-Y140 PolarHBondContact O-N 3.45Å; I137-Y140 VanDerWaalsContact O-N 3.13Å; Y140-K142 VanDerWaalsContact C-N 3.26Å; Y140-K142 PolarHBondContact O-N 3.33Å; Y140-G143 PolarHBondContact O-N 2.89Å; Y140-F145 HydrophobicContact CD2-CB 3.91Å; Y140-F145 AromaticContact CD2-CD1 3.73Å; Y140-F145 HydrophobicContact CD2-CD1 3.73Å; Y140-F145 AromaticContact CD2-CD2 3.81Å; Y140-F145 HydrophobicContact CD2-CD2 3.81Å; Y140-F145 HydrophobicContact CD2-CE1 4.24Å; Y140-F145 HydrophobicContact CD2-CE2 4.3Å; Y140-F145 AromaticContact CD2-CG 3.51Å; Y140-F145 HydrophobicContact CD2-CG 3.51Å; Y140-F145 HydrophobicContact CE2-CD1 4.27Å; Y140-F145 HydrophobicContact CE2-CG 4.39Å; Y140-F145 HydrophobicContact CG-CB 4.46Å; Y140-F145 HydrophobicContact CG-CD2 4.23Å; Y140-F145 HydrophobicContact CG-CG 4.24Å
141L88.3Confident88.2Confident108 Ų10876.2 Ų76.257%0.56539%0.393SS*.Hα-helixtrans-65.7-26-178.9-67.5174000113.4I137 G143I137-L141 HydrophobicContact CG2-CD1 3.71Å; I137-L141 HydrophobicContact CG2-CG 4.14Å; I137-L141 WeakPolarHBondContact O-CG 3.2Å; I137-L141 PolarHBondContact O-N 3.35Å; L141-G143 PolarHBondContact O-N 3.44Å
142K91.2Very high88Confident171 Ų17175.6 Ų75.674%0.74338%0.381SS*.THydrogen-bonded Turntrans-74-8.9172.9-75.9176.1-178.5178.10113.5H138 T139 Y140 S144H138-K142 VanDerWaalsContact O-CG 3.31Å; H138-K142 WeakPolarHBondContact O-CG 3.18Å; H138-K142 PolarHBondContact O-N 3.12Å; T139-K142 PolarHBondContact O-N 3.25Å; Y140-K142 VanDerWaalsContact C-N 3.26Å; Y140-K142 PolarHBondContact O-N 3.33Å; K142-S144 PolarHBondContact O-N 2.92Å
143G83.8Confident88Confident70 Ų7080 Ų8072%0.72240%0.4SS*.THydrogen-bonded Turntrans77.71-178.900000114.7Y140 L141 F145Y140-G143 PolarHBondContact O-N 2.89Å; L141-G143 PolarHBondContact O-N 3.44Å; G143-F145 VanDerWaalsContact C-N 3.31Å; G143-F145 PolarHBondContact O-N 3.14Å
144S81.9Confident88Confident78 Ų7884.1 Ų84.155%0.54542%0.422SS..  trans-96.731.9176.764.10000112.1K142 Q146K142-S144 PolarHBondContact O-N 2.92Å; S144-Q146 PolarHBondContact O-N 3.27Å
145F83.4Confident88Confident43 Ų4383.4 Ų83.419%0.18942%0.419CS..  trans-72.8117.4-175.2-163.5-109.3000112I102 I103 E136 T139 Y140 G143I102-F145 HydrophobicContact CG2-CD1 3.98Å; I102-F145 HydrophobicContact CG2-CE1 3.67Å; I103-F145 HydrophobicContact CB-CZ 4.33Å; I103-F145 HydrophobicContact CG1-CE2 4Å; I103-F145 HydrophobicContact CG1-CZ 3.87Å; E136-F145 HydrophobicContact CB-CE2 4.42Å; E136-F145 VanDerWaalsContact OE2-CE2 3.23Å; E136-F145 WeakPolarHBondContact OE2-CE2 3.32Å; T139-F145 HydrophobicContact CG2-CD2 4.43Å; Y140-F145 HydrophobicContact CD2-CB 3.91Å; Y140-F145 AromaticContact CD2-CD1 3.73Å; Y140-F145 HydrophobicContact CD2-CD1 3.73Å; Y140-F145 AromaticContact CD2-CD2 3.81Å; Y140-F145 HydrophobicContact CD2-CD2 3.81Å; Y140-F145 HydrophobicContact CD2-CE1 4.24Å; Y140-F145 HydrophobicContact CD2-CE2 4.3Å; Y140-F145 AromaticContact CD2-CG 3.51Å; Y140-F145 HydrophobicContact CD2-CG 3.51Å; Y140-F145 HydrophobicContact CE2-CD1 4.27Å; Y140-F145 HydrophobicContact CE2-CG 4.39Å; Y140-F145 HydrophobicContact CG-CB 4.46Å; Y140-F145 HydrophobicContact CG-CD2 4.23Å; Y140-F145 HydrophobicContact CG-CG 4.24Å; G143-F145 VanDerWaalsContact C-N 3.31Å; G143-F145 PolarHBondContact O-N 3.14Å
146Q82.6Confident88Confident169 Ų16981.7 Ų81.779%0.7942%0.416SS*.  trans-131.3120.2160.1-68.6-175-16.200106.7S144 R148S144-Q146 PolarHBondContact O-N 3.27Å; Q146-R148 PolarHBondContact O-N 2.95Å
147S79.9Confident88Confident18 Ų1882.4 Ų82.413%0.12642%0.421CS..  trans-57.9117.1178.8165.10000109.4Y124 F149 M150Y124-S147 PolarHBondContact OH-OG 3.15Å; S147-F149 PolarHBondContact O-N 2.92Å; S147-F149 VanDerWaalsContact O-N 3.08Å; S147-F149 PolarHBondContact OG-N 3.39Å; S147-M150 WeakPolarHBondContact O-CG 3.49Å; S147-M150 PolarHBondContact O-N 3.3Å; S147-M150 PolarHBondContact OG-N 3.31Å
148R85.1Confident87.9Confident121 Ų12189.3 Ų89.346%0.45745%0.453SS..THydrogen-bonded Turntrans-62.4-12.6173.4-66.4-172.7-78.4-173.1-0.3112E135 E136 Q146E135-R148 VanDerWaalsContact CD-NH1 3.33Å; E135-R148 IonicContact OE1-CZ 2.63Å; E135-R148 IonicContact OE1-NH1 3.57Å; E135-R148 PolarHBondContact OE1-NH1 3.32Å; E135-R148 IonicContact OE1-NH2 2.72Å; E135-R148 PolarHBondContact OE1-NH2 3.49Å; E135-R148 IonicContact OE2-CZ 3.13Å; E135-R148 IonicContact OE2-NH1 3.63Å; E135-R148 PolarHBondContact OE2-NH1 2.87Å; E135-R148 IonicContact OE2-NH2 3.55Å; E135-R148 PolarHBondContact OE2-NH2 2.92Å; E136-R148 IonicContact OE1-CZ 2.85Å; E136-R148 IonicContact OE1-NE 2.75Å; E136-R148 PolarHBondContact OE1-NE 2.83Å; E136-R148 IonicContact OE1-NH2 3.45Å; E136-R148 PolarHBondContact OE1-NH2 3.11Å; Q146-R148 PolarHBondContact O-N 2.95Å
149F88Confident87.9Confident15 Ų1589.1 Ų89.17%0.06646%0.456CS..THydrogen-bonded Turntrans-112.611.2-168.2-46.2-64.6000113.5Y124 L126 W128 L132 E136 S147 N151 Y152Y124-F149 HydrophobicContact CD1-CB 4.13Å; Y124-F149 VanDerWaalsContact CD1-O 3.24Å; Y124-F149 WeakPolarHBondContact CD1-O 3.38Å; Y124-F149 HydrophobicContact CD2-CB 4.02Å; Y124-F149 HydrophobicContact CE1-CB 4.44Å; Y124-F149 WeakPolarHBondContact CE1-O 3.09Å; Y124-F149 HydrophobicContact CE2-CB 4.34Å; Y124-F149 HydrophobicContact CG-CB 3.91Å; L126-F149 HydrophobicContact CD1-CB 3.87Å; L126-F149 HydrophobicContact CD1-CD1 3.54Å; L126-F149 HydrophobicContact CD1-CD2 3.63Å; L126-F149 HydrophobicContact CD1-CE1 3.95Å; L126-F149 HydrophobicContact CD1-CE2 4.02Å; L126-F149 HydrophobicContact CD1-CG 3.37Å; L126-F149 HydrophobicContact CD1-CZ 4.18Å; L126-F149 HydrophobicContact CD2-CD1 4.01Å; L126-F149 HydrophobicContact CD2-CE1 4.16Å; L126-F149 HydrophobicContact CG-CD1 4.39Å; W128-F149 HydrophobicContact CH2-CD2 4.38Å; W128-F149 HydrophobicContact CH2-CE2 4.35Å; L132-F149 HydrophobicContact CD1-CZ 4.16Å; E136-F149 HydrophobicContact CG-CE2 4.19Å; E136-F149 WeakPolarHBondContact OE1-CE2 3.5Å; S147-F149 PolarHBondContact O-N 2.92Å; S147-F149 VanDerWaalsContact O-N 3.08Å; S147-F149 PolarHBondContact OG-N 3.39Å; F149-N151 PolarHBondContact O-N 3.32Å; F149-Y152 HydrophobicContact CB-CD2 4.1Å; F149-Y152 HydrophobicContact CB-CG 4.18Å; F149-Y152 HydrophobicContact CD1-CD2 4.04Å; F149-Y152 HydrophobicContact CD1-CE1 4.41Å; F149-Y152 AromaticContact CD1-CE2 3.91Å; F149-Y152 HydrophobicContact CD1-CE2 3.91Å; F149-Y152 HydrophobicContact CD1-CG 4.35Å; F149-Y152 WeakPolarHBondContact O-CB 3.37Å; F149-Y152 PolarHBondContact O-N 2.92Å
150M84.6Confident87.9Confident129 Ų12988 Ų8864%0.63545%0.452SS*.THydrogen-bonded Turntrans-52.8-31.4178.8-71.2-70.4-107.100113.7Y124 S147Y124-M150 PolarHBondContact OH-SD 3.06Å; S147-M150 WeakPolarHBondContact O-CG 3.49Å; S147-M150 PolarHBondContact O-N 3.3Å; S147-M150 PolarHBondContact OG-N 3.31Å
151N87.9Confident88.1Confident166 Ų16686.3 Ų86.389%0.88845%0.445SS*.THydrogen-bonded Turntrans-92.3-0.4179.4-63.4-24.4000113.9F149F149-N151 PolarHBondContact O-N 3.32Å
152Y90Very high88.3Confident121 Ų12182.7 Ų82.748%0.47543%0.428SS..SBendtrans-75.9156.2178.7-84.4-121.6000111L126 F149L126-Y152 HydrophobicContact CD2-CD1 3.48Å; L126-Y152 VanDerWaalsContact CD2-CD1 3.48Å; L126-Y152 HydrophobicContact CD2-CE1 3.37Å; L126-Y152 HydrophobicContact CD2-CG 4.47Å; L126-Y152 HydrophobicContact CG-CD1 4.08Å; L126-Y152 HydrophobicContact CG-CE1 4.43Å; F149-Y152 HydrophobicContact CB-CD2 4.1Å; F149-Y152 HydrophobicContact CB-CG 4.18Å; F149-Y152 HydrophobicContact CD1-CD2 4.04Å; F149-Y152 HydrophobicContact CD1-CE1 4.41Å; F149-Y152 AromaticContact CD1-CE2 3.91Å; F149-Y152 HydrophobicContact CD1-CE2 3.91Å; F149-Y152 HydrophobicContact CD1-CG 4.35Å; F149-Y152 WeakPolarHBondContact O-CB 3.37Å; F149-Y152 PolarHBondContact O-N 2.92Å
153Q92.1Very high88.4Confident131 Ų13176.3 Ų76.361%0.61240%0.399SS*.PPolyproline II helixtrans-62.3145.3171.6-66.7-176.9-17.700110.5K125K125-Q153 HydrophobicContact CB-CB 4.19Å; K125-Q153 WeakPolarHBondContact CB-O 3.37Å; K125-Q153 HydrophobicContact CD-CB 4.17Å; K125-Q153 PolarHBondContact N-O 3.09Å
154I91.9Very high88.6Confident87 Ų8776.6 Ų76.645%0.44638%0.382SS..EExtended strand (participates in β ladder)trans-102.6143.5174.458.7169.6000110.2P106 Y122 Q123 Y124P106-I154 HydrophobicContact CG-CG2 4.06Å; Y122-I154 HydrophobicContact CD1-CD1 4.29Å; Y122-I154 HydrophobicContact CG-CD1 4.26Å; Q123-I154 WeakPolarHBondContact O-CA 3.49Å; Y124-I154 HydrophobicContact CD1-CG2 4.2Å; Y124-I154 HydrophobicContact CE1-CG2 4.47Å
155I92.9Very high88.8Confident30 Ų3076.1 Ų76.115%0.15437%0.373CS..EExtended strand (participates in β ladder)trans-127.2151.7176.353.5165.8000110.2Y122 Q123 K125 Q158Y122-I155 VanDerWaalsContact CA-O 3.31Å; Y122-I155 WeakPolarHBondContact CA-O 3.49Å; Q123-I155 HydrophobicContact CG-CD1 4.36Å; Q123-I155 HydrophobicContact CG-CG1 3.92Å; Q123-I155 PolarHBondContact N-O 3.3Å; Q123-I155 PolarHBondContact O-N 3.44Å; K125-I155 HydrophobicContact CB-CD1 4.49Å; K125-I155 HydrophobicContact CB-CG1 4.24Å; K125-I155 HydrophobicContact CB-CG2 3.92Å; K125-I155 HydrophobicContact CD-CG2 3.93Å; K125-I155 HydrophobicContact CG-CD1 4.38Å; K125-I155 HydrophobicContact CG-CG2 3.85Å; I155-Q158 HydrophobicContact CD1-CG 4.42Å
156P92Very high88.9Confident55 Ų5578.4 Ų78.436%0.35739%0.387SS..EExtended strand (participates in β ladder)trans-63.2155.7170.229.1-35.1000110.5Q158P156-Q158 PolarHBondContact O-N 3.24Å
157C91.7Very high88.9Confident17 Ų1780 Ų8012%0.11540%0.395CS..  trans-59.2125.6176.7-49.50000110.9C80 G120 C121 Y161C80-C157 WeakPolarHBondContact CA-SG 3.41Å; C80-C157 HydrophobicContact CB-CB 3.69Å; C80-C157 WeakPolarHBondContact CB-SG 3.43Å; C80-C157 VanDerWaalsContact SG-CA 3.51Å; C80-C157 WeakPolarHBondContact SG-CB 3.36Å; C80-C157 CovalentContact SG-SG 2.03Å; C80-C157 PolarHBondContact SG-SG 3.36Å; G120-C157 PolarHBondContact O-SG 3.33Å; C121-C157 PolarHBondContact O-N 3.1Å; C121-C157 PolarHBondContact O-SG 2.95Å; C157-Y161 HydrophobicContact CB-CD1 4.25Å; C157-Y161 HydrophobicContact CB-CE1 3.77Å; C157-Y161 WeakPolarHBondContact SG-CE1 3.42Å
158Q89Confident89.1Confident145 Ų14587.5 Ų87.568%0.67843%0.432SS*.SBendtrans-92.4-34.3-176.3-67-179.5-19.400112.9I155 P156I155-Q158 HydrophobicContact CD1-CG 4.42Å; P156-Q158 PolarHBondContact O-N 3.24Å
159N90.4Very high89.1Confident96 Ų9684.1 Ų84.151%0.51342%0.421SS..SBendtrans-10323.7-173.3-61.8-13.6000112.8
160G91.3Very high89Confident17 Ų1784 Ų8418%0.17542%0.42CS..  trans80.5-160.9-175.200000113.6R81R81-G160 WeakPolarHBondContact CB-O 3.43Å; R81-G160 PolarHBondContact N-O 3.33Å
161Y93.1Very high88.9Confident26 Ų2680.9 Ų80.910%0.10241%0.41CS..EExtended strand (participates in β ladder)trans-120.8154-170.5-59.7-83.4000112.7Q78 R79 R81 C157 D179 V181Q78-Y161 HydrophobicContact CB-CD1 4.45Å; Q78-Y161 HydrophobicContact CG-CD1 4.12Å; R79-Y161 CarbonylContact O-C 3.56Å; R79-Y161 VanDerWaalsContact O-CA 3.32Å; R79-Y161 WeakPolarHBondContact O-CA 3.39Å; R81-Y161 PolarHBondContact NE-O 3.34Å; R81-Y161 PolarHBondContact NH2-O 2.99Å; C157-Y161 HydrophobicContact CB-CD1 4.25Å; C157-Y161 HydrophobicContact CB-CE1 3.77Å; C157-Y161 WeakPolarHBondContact SG-CE1 3.42Å; Y161-D179 HydrophobicContact CD2-CB 4.09Å; Y161-D179 HydrophobicContact CE2-CB 4.35Å; Y161-V181 HydrophobicContact CD1-CG2 4.13Å; Y161-V181 HydrophobicContact CD2-CG2 3.68Å; Y161-V181 HydrophobicContact CE1-CG2 4.02Å; Y161-V181 HydrophobicContact CE2-CG2 3.58Å; Y161-V181 HydrophobicContact CG-CG2 3.98Å
162V92.3Very high88.7Confident32 Ų3273.7 Ų73.719%0.19438%0.376CS..EExtended strand (participates in β ladder)trans-111.3129.1163.6179.10000107Q78 R79 R81 L97Q78-V162 CarbonylContact C-O 3.34Å; Q78-V162 VanDerWaalsContact CA-O 3.31Å; Q78-V162 WeakPolarHBondContact CA-O 3.34Å; R79-V162 HydrophobicContact CG-CB 3.97Å; R79-V162 PolarHBondContact N-O 3.49Å; R79-V162 PolarHBondContact O-N 2.99Å; R81-V162 HydrophobicContact CB-CG2 3.89Å; R81-V162 HydrophobicContact CG-CG2 4.01Å; L97-V162 WeakPolarHBondContact CD1-O 3.39Å
163Y91.6Very high88.7Confident36 Ų3668 Ų6814%0.14135%0.353CS..EExtended strand (participates in β ladder)trans-108.2135.2-175.8-62.9-70.9000110.5P76 Q77 Q78 I176 D179 V181P76-Y163 HydrophobicContact CB-CD1 4.43Å; P76-Y163 HydrophobicContact CG-CD1 3.48Å; P76-Y163 VanDerWaalsContact CG-CD1 3.48Å; P76-Y163 HydrophobicContact CG-CE1 4.15Å; P76-Y163 HydrophobicContact CG-CG 3.98Å; Q77-Y163 CarbonylContact O-C 3.59Å; Q77-Y163 WeakPolarHBondContact O-CA 3.48Å; Q78-Y163 HydrophobicContact CB-CD1 3.46Å; Q78-Y163 VanDerWaalsContact CB-CD1 3.46Å; Q78-Y163 HydrophobicContact CB-CE1 3.48Å; Q78-Y163 VanDerWaalsContact CB-CE1 3.48Å; Q78-Y163 HydrophobicContact CG-CE1 4.31Å; Y163-I176 HydrophobicContact CD2-CB 4.23Å; Y163-I176 HydrophobicContact CD2-CG1 3.99Å; Y163-I176 HydrophobicContact CD2-CG2 3.76Å; Y163-I176 HydrophobicContact CE2-CB 4.29Å; Y163-I176 HydrophobicContact CE2-CG1 4.32Å; Y163-I176 HydrophobicContact CE2-CG2 4.05Å; Y163-I176 HydrophobicContact CG-CG1 4.08Å; Y163-D179 WeakPolarHBondContact CE2-OD1 3.01Å; Y163-D179 PolarHBondContact OH-OD1 3.45Å; Y163-V181 HydrophobicContact CE1-CG1 4Å; Y163-V181 HydrophobicContact CE1-CG2 4.36Å; Y163-V181 WeakPolarHBondContact OH-CG2 3.16Å
164E88.6Confident88.7Confident76 Ų7661.8 Ų61.836%0.35532%0.324SS..EExtended strand (participates in β ladder)trans-108.8122.4167.3-176.5172.2-142.900108.1Q77 L97Q77-E164 PolarHBondContact N-O 2.8Å; Q77-E164 PolarHBondContact O-N 2.96Å; L97-E164 HydrophobicContact CB-CB 3.95Å; L97-E164 WeakPolarHBondContact CB-OE2 3.47Å; L97-E164 HydrophobicContact CD1-CB 3.41Å; L97-E164 VanDerWaalsContact CD1-CB 3.41Å; L97-E164 HydrophobicContact CG-CB 4.2Å
165L87.4Confident88.6Confident68 Ų6857.6 Ų57.636%0.35630%0.303SS..  trans-94.9133.2-179.5-70.3129.8000109.1P76 Q169 Y170 I176P76-L165 HydrophobicContact CB-CD2 4.49Å; L165-Q169 HydrophobicContact CD2-CB 4.19Å; L165-Y170 WeakPolarHBondContact CD2-O 3.33Å; L165-I176 HydrophobicContact CD1-CD1 4.49Å; L165-I176 HydrophobicContact CD2-CD1 3.93Å; L165-I176 HydrophobicContact CG-CD1 4.45Å
166N85.4Confident88.5Confident92 Ų9258 Ų5849%0.49231%0.305SS..  trans-71154.4165.8-66.2-45.1000110.2L168 Q169N166-L168 PolarHBondContact O-N 3.45Å; N166-Q169 HydrophobicContact CB-CB 4.48Å; N166-Q169 HydrophobicContact CB-CG 4.07Å; N166-Q169 WeakPolarHBondContact O-CB 3.02Å; N166-Q169 PolarHBondContact O-N 2.88Å
167E82.4Confident88.4Confident203 Ų20359.7 Ų59.795%0.94931%0.308SS*.THydrogen-bonded Turntrans-56.2-26.1179.4-61.9-177.3171.800113.8
168L83Confident88.4Confident175 Ų17560.4 Ų60.492%0.91631%0.309SS*.THydrogen-bonded Turntrans-91-4.7179.5-57.7176.5000113.4N166N166-L168 PolarHBondContact O-N 3.45Å
169Q85.1Confident88.5Confident49 Ų4956.3 Ų56.323%0.22929%0.292CS..SBendtrans-92.1151.6-177.7-76.2179.7-36.300112.1I75 L165 N166I75-Q169 PolarHBondContact O-NE2 3.25Å; L165-Q169 HydrophobicContact CD2-CB 4.19Å; N166-Q169 HydrophobicContact CB-CB 4.48Å; N166-Q169 HydrophobicContact CB-CG 4.07Å; N166-Q169 WeakPolarHBondContact O-CB 3.02Å; N166-Q169 PolarHBondContact O-N 2.88Å
170Y86.3Confident88.4Confident12 Ų1251.7 Ų51.75%0.04727%0.267CS..  trans-80.4123.4-179.8-177.9-106.3000110.7F71 L165 G172 A296 I299 P300 N301 W302 L305F71-Y170 HydrophobicContact CB-CD1 4.31Å; F71-Y170 HydrophobicContact CB-CD2 4.5Å; F71-Y170 HydrophobicContact CB-CG 4.09Å; L165-Y170 WeakPolarHBondContact CD2-O 3.33Å; Y170-G172 WeakPolarHBondContact CE1-O 3.24Å; Y170-A296 HydrophobicContact CD2-CB 4.13Å; Y170-A296 HydrophobicContact CE2-CB 4.04Å; Y170-A296 WeakPolarHBondContact CE2-O 3.35Å; Y170-I299 WeakPolarHBondContact CE2-O 3.38Å; Y170-I299 PolarHBondContact OH-O 3.21Å; Y170-P300 VanDerWaalsContact OH-C 3.27Å; Y170-P300 PolarHBondContact OH-O 3.33Å; Y170-N301 PolarHBondContact OH-N 2.9Å; Y170-N301 PolarHBondContact OH-O 3.36Å; Y170-W302 HydrophobicContact CE1-CB 4Å; Y170-W302 WeakPolarHBondContact OH-CA 3.31Å; Y170-W302 PolarHBondContact OH-N 3.13Å; Y170-L305 HydrophobicContact CE1-CD2 4.46Å; Y170-L305 HydrophobicContact CE2-CD2 4.04Å
171P83.4Confident88.2Confident64 Ų6451 Ų5142%0.41626%0.259SS..THydrogen-bonded Turntrans-67.8-41.5-165.924.2-34.1000115I176 P300P171-I176 VanDerWaalsContact O-CD1 3.25Å; P171-I176 WeakPolarHBondContact O-CD1 3.3Å; P171-P300 HydrophobicContact CG-CB 3.63Å
172G83.4Confident88Confident16 Ų1650.8 Ų50.817%0.16526%0.262CS..BIsolated β-bridgetrans-10764.2-178.300000111.1Y170 P300 W302Y170-G172 WeakPolarHBondContact CE1-O 3.24Å; G172-P300 WeakPolarHBondContact CA-O 3.47Å; G172-P300 PolarHBondContact N-O 2.98Å; G172-W302 VanDerWaalsContact O-CB 3.23Å; G172-W302 WeakPolarHBondContact O-CB 3.36Å; G172-W302 PolarHBondContact O-N 3.03Å; G172-W302 VanDerWaalsContact O-N 3.13Å
173S90.4Very high87.7Confident1 Ų155.2 Ų55.21%0.00728%0.28CS..  trans-76.3159.3178.684.10000112.2A72 S74 V175 I176 E177A72-S173 WeakPolarHBondContact O-CB 3.37Å; S74-S173 PolarHBondContact O-OG 2.86Å; S173-V175 PolarHBondContact O-N 3.3Å; S173-I176 PolarHBondContact O-N 2.96Å; S173-I176 WeakPolarHBondContact OG-CG1 3.21Å; S173-I176 PolarHBondContact OG-N 3.23Å; S173-E177 PolarHBondContact O-N 2.95Å
174V90.4Very high87.6Confident0 Ų057.8 Ų57.80%029%0.293CS..Hα-helixtrans-64.9-30.6177171.40000110.7A72 I176 E177 F178 Y239 Y242 W302A72-V174 HydrophobicContact CB-CB 4.32Å; A72-V174 HydrophobicContact CB-CG2 3.71Å; A72-V174 WeakPolarHBondContact O-CB 3.14Å; A72-V174 PolarHBondContact O-N 3.5Å; V174-I176 VanDerWaalsContact C-N 3.34Å; V174-E177 PolarHBondContact O-N 3.2Å; V174-F178 HydrophobicContact CG1-CD2 3.61Å; V174-F178 HydrophobicContact CG1-CE2 3.93Å; V174-F178 WeakPolarHBondContact O-CD2 2.96Å; V174-F178 PolarHBondContact O-N 3.31Å; V174-F178 VanDerWaalsContact O-N 3.15Å; V174-Y239 HydrophobicContact CG1-CD2 4.13Å; V174-Y239 HydrophobicContact CG1-CE2 3.81Å; V174-Y242 HydrophobicContact CG1-CD1 4.03Å; V174-Y242 HydrophobicContact CG1-CE1 3.72Å; V174-Y242 HydrophobicContact CG1-CE2 4.39Å; V174-Y242 HydrophobicContact CG1-CG 4.49Å; V174-Y242 HydrophobicContact CG2-CE2 4.03Å; V174-W302 HydrophobicContact CG2-CB 4.26Å; V174-W302 HydrophobicContact CG2-CD2 3.42Å; V174-W302 VanDerWaalsContact CG2-CD2 3.42Å; V174-W302 HydrophobicContact CG2-CE3 3.8Å; V174-W302 HydrophobicContact CG2-CG 3.66Å; V174-W302 HydrophobicContact CG2-CZ2 4.24Å; V174-W302 HydrophobicContact CG2-CZ3 4.32Å
175V90Very high87.5Confident0 Ų057.5 Ų57.50%030%0.295CS..Hα-helixtrans-64.1-40.8178.5-178.40000111.3I75 S173 D179 T180 V181 V188I75-V175 HydrophobicContact CG1-CG1 4.35Å; I75-V175 HydrophobicContact CG1-CG2 4.37Å; S173-V175 PolarHBondContact O-N 3.3Å; V175-D179 WeakPolarHBondContact O-CA 3.46Å; V175-D179 PolarHBondContact O-N 2.89Å; V175-T180 PolarHBondContact O-N 2.9Å; V175-V181 HydrophobicContact CG1-CG1 3.49Å; V175-V181 VanDerWaalsContact CG1-CG1 3.49Å; V175-V188 HydrophobicContact CG2-CG2 4.16Å
176I90.6Very high87.6Confident39 Ų3961.1 Ų61.120%0.230%0.304CS..Hα-helixtrans-69.4-39.1178.8-66.5166.1000111P76 Y163 L165 P171 S173 V174P76-I176 HydrophobicContact CG-CD1 4Å; P76-I176 HydrophobicContact CG-CG1 3.78Å; Y163-I176 HydrophobicContact CD2-CB 4.23Å; Y163-I176 HydrophobicContact CD2-CG1 3.99Å; Y163-I176 HydrophobicContact CD2-CG2 3.76Å; Y163-I176 HydrophobicContact CE2-CB 4.29Å; Y163-I176 HydrophobicContact CE2-CG1 4.32Å; Y163-I176 HydrophobicContact CE2-CG2 4.05Å; Y163-I176 HydrophobicContact CG-CG1 4.08Å; L165-I176 HydrophobicContact CD1-CD1 4.49Å; L165-I176 HydrophobicContact CD2-CD1 3.93Å; L165-I176 HydrophobicContact CG-CD1 4.45Å; P171-I176 VanDerWaalsContact O-CD1 3.25Å; P171-I176 WeakPolarHBondContact O-CD1 3.3Å; S173-I176 PolarHBondContact O-N 2.96Å; S173-I176 WeakPolarHBondContact OG-CG1 3.21Å; S173-I176 PolarHBondContact OG-N 3.23Å; V174-I176 VanDerWaalsContact C-N 3.34Å
177E90.6Very high87.9Confident90 Ų9059 Ų5942%0.42129%0.29SS..Hα-helixtrans-74-34.3-176.5-172.7168.7166.200113.3S173 V174 W302 R303S173-E177 PolarHBondContact O-N 2.95Å; V174-E177 PolarHBondContact O-N 3.2Å; E177-W302 PolarHBondContact OE2-NE1 2.9Å; E177-R303 IonicContact OE1-CZ 2.8Å; E177-R303 IonicContact OE1-NE 2.69Å; E177-R303 PolarHBondContact OE1-NE 2.82Å; E177-R303 IonicContact OE1-NH2 3.39Å; E177-R303 PolarHBondContact OE1-NH2 3.39Å; E177-R303 IonicContact OE2-CZ 3.53Å; E177-R303 IonicContact OE2-NE 3.12Å; E177-R303 PolarHBondContact OE2-NE 3.48Å; E177-R303 IonicContact OE2-NH2 3.49Å
178F91.1Very high88.2Confident31 Ų3149.9 Ų49.914%0.13625%0.248CC..Hα-helixtrans-104.26.3-178.4-64.2-63.1000114.3V174 T180 P237 Y239 Y242 W302V174-F178 HydrophobicContact CG1-CD2 3.61Å; V174-F178 HydrophobicContact CG1-CE2 3.93Å; V174-F178 WeakPolarHBondContact O-CD2 2.96Å; V174-F178 PolarHBondContact O-N 3.31Å; V174-F178 VanDerWaalsContact O-N 3.15Å; F178-T180 HydrophobicContact CB-CG2 3.86Å; F178-T180 PolarHBondContact O-N 2.79Å; F178-T180 VanDerWaalsContact O-N 3.15Å; F178-P237 WeakPolarHBondContact CE1-O 3.33Å; F178-Y239 HydrophobicContact CB-CD2 4.01Å; F178-Y239 HydrophobicContact CB-CG 4.47Å; F178-Y239 AromaticContact CD2-CD2 3.73Å; F178-Y239 HydrophobicContact CD2-CD2 3.73Å; F178-Y239 HydrophobicContact CE2-CD2 4.48Å; F178-Y239 HydrophobicContact CG-CD2 4.04Å; F178-Y242 HydrophobicContact CE2-CG 4.47Å; F178-W302 HydrophobicContact CE2-CH2 4.34Å; F178-W302 AromaticContact CE2-CZ2 3.84Å; F178-W302 HydrophobicContact CE2-CZ2 3.84Å; F178-W302 HydrophobicContact CZ-CZ2 4.21Å
179D91Very high88.6Confident59 Ų5945 Ų4532%0.31623%0.227SC..THydrogen-bonded Turntrans48.838.2-178-70.8-32.1000113.5Y161 Y163 V175 V181Y161-D179 HydrophobicContact CD2-CB 4.09Å; Y161-D179 HydrophobicContact CE2-CB 4.35Å; Y163-D179 WeakPolarHBondContact CE2-OD1 3.01Å; Y163-D179 PolarHBondContact OH-OD1 3.45Å; V175-D179 WeakPolarHBondContact O-CA 3.46Å; V175-D179 PolarHBondContact O-N 2.89Å; D179-V181 PolarHBondContact O-N 3.32Å
180T88.8Confident89Confident0 Ų046 Ų460%023%0.233CC..  trans-79.142.3-175.955.90000113.1V175 F178 Q184 N185 Y239V175-T180 PolarHBondContact O-N 2.9Å; F178-T180 HydrophobicContact CB-CG2 3.86Å; F178-T180 PolarHBondContact O-N 2.79Å; F178-T180 VanDerWaalsContact O-N 3.15Å; T180-Q184 CarbonylContact O-C 3.54Å; T180-N185 WeakPolarHBondContact O-CA 3.41Å; T180-Y239 HydrophobicContact CG2-CD1 4.01Å; T180-Y239 HydrophobicContact CG2-CD2 3.57Å; T180-Y239 HydrophobicContact CG2-CE1 4.27Å; T180-Y239 HydrophobicContact CG2-CE2 3.85Å; T180-Y239 HydrophobicContact CG2-CG 3.66Å
181V88.3Confident89.3Confident1 Ų145.9 Ų45.91%0.00624%0.236CC..  trans-105172.9178.8-63.90000111.2I75 Q78 Y161 Y163 V175 D179 Q183 Q184I75-V181 HydrophobicContact CG2-CG1 4.34Å; Q78-V181 HydrophobicContact CG-CG2 4.32Å; Y161-V181 HydrophobicContact CD1-CG2 4.13Å; Y161-V181 HydrophobicContact CD2-CG2 3.68Å; Y161-V181 HydrophobicContact CE1-CG2 4.02Å; Y161-V181 HydrophobicContact CE2-CG2 3.58Å; Y161-V181 HydrophobicContact CG-CG2 3.98Å; Y163-V181 HydrophobicContact CE1-CG1 4Å; Y163-V181 HydrophobicContact CE1-CG2 4.36Å; Y163-V181 WeakPolarHBondContact OH-CG2 3.16Å; V175-V181 HydrophobicContact CG1-CG1 3.49Å; V175-V181 VanDerWaalsContact CG1-CG1 3.49Å; D179-V181 PolarHBondContact O-N 3.32Å; V181-Q183 PolarHBondContact O-N 2.98Å; V181-Q183 VanDerWaalsContact O-N 3.17Å; V181-Q184 PolarHBondContact O-N 2.9Å
182C88.3Confident89.7Confident22 Ų2244.4 Ų44.415%0.14923%0.227CC..G310 helixtrans58.1-117.6171.8-580000113.4C121 Q184 N185C121-C182 WeakPolarHBondContact CA-SG 3.3Å; C121-C182 HydrophobicContact CB-CB 3.56Å; C121-C182 WeakPolarHBondContact CB-SG 3.47Å; C121-C182 WeakPolarHBondContact SG-CA 3.29Å; C121-C182 WeakPolarHBondContact SG-CB 3.34Å; C121-C182 CovalentContact SG-SG 2.02Å; C121-C182 PolarHBondContact SG-SG 3.38Å; C182-Q184 PolarHBondContact O-N 3.45Å; C182-N185 WeakPolarHBondContact O-CB 3.12Å; C182-N185 PolarHBondContact O-N 3.44Å
183Q86.5Confident90.2Very high126 Ų12646.8 Ų46.859%0.58924%0.242SC*.G310 helixtrans-61.4-24.6177.8-67.1-176.3-10.200112.5V181 W186V181-Q183 PolarHBondContact O-N 2.98Å; V181-Q183 VanDerWaalsContact O-N 3.17Å; Q183-W186 PolarHBondContact O-NE1 3.18Å
184Q87.7Confident90.4Very high89 Ų8949.5 Ų49.542%0.41626%0.255SS..G310 helixtrans-96.83.3179-65.4-166.120.400113T180 V181 C182 W186 F187T180-Q184 CarbonylContact O-C 3.54Å; V181-Q184 PolarHBondContact O-N 2.9Å; C182-Q184 PolarHBondContact O-N 3.45Å; Q184-W186 PolarHBondContact O-N 2.92Å; Q184-W186 VanDerWaalsContact O-N 3.14Å; Q184-F187 HydrophobicContact CB-CD2 3.76Å; Q184-F187 HydrophobicContact CB-CE2 4.22Å; Q184-F187 HydrophobicContact CG-CD2 4.12Å; Q184-F187 HydrophobicContact CG-CE2 4.06Å; Q184-F187 VanDerWaalsContact O-CB 3.29Å; Q184-F187 WeakPolarHBondContact O-CB 3.11Å; Q184-F187 WeakPolarHBondContact O-CD2 3.4Å; Q184-F187 PolarHBondContact O-N 3.21Å
185N88Confident90.5Very high71 Ų7149.9 Ų49.938%0.3826%0.257SS..THydrogen-bonded Turntrans-59.6-30.2-177.1-173.438.9000113.6I75 T180 C182 F187 V188 P189I75-N185 WeakPolarHBondContact CD1-OD1 3.49Å; T180-N185 WeakPolarHBondContact O-CA 3.41Å; C182-N185 WeakPolarHBondContact O-CB 3.12Å; C182-N185 PolarHBondContact O-N 3.44Å; N185-F187 PolarHBondContact O-N 3.21Å; N185-V188 PolarHBondContact O-N 3.45Å; N185-P189 WeakPolarHBondContact O-CD 3.43Å
186W89.3Confident90.7Very high144 Ų14455.9 Ų55.955%0.54528%0.283SS..THydrogen-bonded Turntrans-68-16.817964.3-87.4000113.6Q183 Q184 V188 P189 L190Q183-W186 PolarHBondContact O-NE1 3.18Å; Q184-W186 PolarHBondContact O-N 2.92Å; Q184-W186 VanDerWaalsContact O-N 3.14Å; W186-V188 VanDerWaalsContact C-N 3.33Å; W186-V188 PolarHBondContact O-N 2.71Å; W186-P189 VanDerWaalsContact O-CD 3.31Å; W186-P189 WeakPolarHBondContact O-CD 3.37Å; W186-P189 WeakPolarHBondContact O-CG 3.38Å; W186-L190 HydrophobicContact CE3-CD2 4.27Å; W186-L190 HydrophobicContact CZ3-CD2 3.79Å; W186-L190 WeakPolarHBondContact O-CB 3.46Å; W186-L190 PolarHBondContact O-N 3.44Å
187F90.3Very high91Very high48 Ų4857.7 Ų57.721%0.21130%0.296CS..Hα-helixtrans-67.2-33.2176-79.1-64.9000112.5Q184 N185 L190 G191 Y239Q184-F187 HydrophobicContact CB-CD2 3.76Å; Q184-F187 HydrophobicContact CB-CE2 4.22Å; Q184-F187 HydrophobicContact CG-CD2 4.12Å; Q184-F187 HydrophobicContact CG-CE2 4.06Å; Q184-F187 VanDerWaalsContact O-CB 3.29Å; Q184-F187 WeakPolarHBondContact O-CB 3.11Å; Q184-F187 WeakPolarHBondContact O-CD2 3.4Å; Q184-F187 PolarHBondContact O-N 3.21Å; N185-F187 PolarHBondContact O-N 3.21Å; F187-L190 HydrophobicContact CD1-CD2 4.31Å; F187-L190 WeakPolarHBondContact O-CB 3.46Å; F187-L190 PolarHBondContact O-N 2.85Å; F187-G191 PolarHBondContact O-N 3.08Å; F187-Y239 HydrophobicContact CB-CD1 3.95Å; F187-Y239 HydrophobicContact CB-CE1 3.54Å; F187-Y239 HydrophobicContact CD1-CD1 4.48Å; F187-Y239 HydrophobicContact CG-CD1 4.37Å; F187-Y239 HydrophobicContact CG-CE1 4.38Å; F187-Y239 PolarHBondContact O-OH 3.29Å
188V90.4Very high91.2Very high11 Ų1153.5 Ų53.57%0.06728%0.277CS..Hα-helixtrans-62.2-54178.7-179.20000113.4N73 V175 N185 W186 L190 G191 S192 Y239N73-V188 HydrophobicContact CB-CG1 3.65Å; V175-V188 HydrophobicContact CG2-CG2 4.16Å; N185-V188 PolarHBondContact O-N 3.45Å; W186-V188 VanDerWaalsContact C-N 3.33Å; W186-V188 PolarHBondContact O-N 2.71Å; V188-L190 VanDerWaalsContact C-N 3.33Å; V188-L190 PolarHBondContact O-N 2.79Å; V188-G191 PolarHBondContact O-N 2.9Å; V188-S192 PolarHBondContact O-N 2.98Å; V188-S192 PolarHBondContact O-OG 2.88Å; V188-Y239 WeakPolarHBondContact CA-OH 3.46Å
189P91.4Very high91.3Very high71 Ų7153.5 Ų53.546%0.46128%0.278SS..Hα-helixtrans-66.5-34.6174.825.5-33000111.9N185 W186 G191 S192 S193N185-P189 WeakPolarHBondContact O-CD 3.43Å; W186-P189 VanDerWaalsContact O-CD 3.31Å; W186-P189 WeakPolarHBondContact O-CD 3.37Å; W186-P189 WeakPolarHBondContact O-CG 3.38Å; P189-G191 VanDerWaalsContact C-N 3.34Å; P189-G191 PolarHBondContact O-N 3.1Å; P189-S192 WeakPolarHBondContact O-CB 3.28Å; P189-S192 PolarHBondContact O-N 3.26Å; P189-S193 PolarHBondContact O-N 3.42Å; P189-S193 PolarHBondContact O-OG 3Å
190L92.4Very high91.5Very high70 Ų7056 Ų5637%0.36629%0.289SS..Hα-helixtrans-58.8-45.6174-176.276.7000111.5W186 F187 V188 S192 S193 I194W186-L190 HydrophobicContact CE3-CD2 4.27Å; W186-L190 HydrophobicContact CZ3-CD2 3.79Å; W186-L190 WeakPolarHBondContact O-CB 3.46Å; W186-L190 PolarHBondContact O-N 3.44Å; F187-L190 HydrophobicContact CD1-CD2 4.31Å; F187-L190 WeakPolarHBondContact O-CB 3.46Å; F187-L190 PolarHBondContact O-N 2.85Å; V188-L190 VanDerWaalsContact C-N 3.33Å; V188-L190 PolarHBondContact O-N 2.79Å; L190-S192 VanDerWaalsContact C-N 3.27Å; L190-S192 PolarHBondContact O-N 3.11Å; L190-S193 WeakPolarHBondContact O-CB 3.36Å; L190-S193 PolarHBondContact O-N 2.86Å; L190-I194 HydrophobicContact CD1-CD1 4.41Å; L190-I194 HydrophobicContact CD2-CD1 4.25Å; L190-I194 HydrophobicContact CG-CD1 3.88Å; L190-I194 HydrophobicContact CG-CG1 4.49Å; L190-I194 WeakPolarHBondContact O-CG1 3.37Å; L190-I194 PolarHBondContact O-N 2.73Å
191G92.1Very high91.9Very high11 Ų1159.7 Ų59.711%0.11331%0.308CS..Hα-helixtrans-59.3-38.9176.600000112.6F187 V188 P189 Y195F187-G191 PolarHBondContact O-N 3.08Å; V188-G191 PolarHBondContact O-N 2.9Å; P189-G191 VanDerWaalsContact C-N 3.34Å; P189-G191 PolarHBondContact O-N 3.1Å; G191-Y195 WeakPolarHBondContact O-CB 3.11Å; G191-Y195 PolarHBondContact O-N 3.31Å
192S91.7Very high92.2Very high33 Ų3359.6 Ų59.623%0.23131%0.307CS..Hα-helixtrans-67.6-41.4175.3-54.70000111.9N73 V188 P189 L190 Y195 F196N73-S192 PolarHBondContact ND2-OG 3.05Å; V188-S192 PolarHBondContact O-N 2.98Å; V188-S192 PolarHBondContact O-OG 2.88Å; P189-S192 WeakPolarHBondContact O-CB 3.28Å; P189-S192 PolarHBondContact O-N 3.26Å; L190-S192 VanDerWaalsContact C-N 3.27Å; L190-S192 PolarHBondContact O-N 3.11Å; S192-Y195 WeakPolarHBondContact O-CB 3.42Å; S192-Y195 PolarHBondContact O-N 3Å; S192-F196 WeakPolarHBondContact O-CD2 3.38Å; S192-F196 PolarHBondContact O-N 2.9Å
193S94.2Very high92.4Very high66 Ų6663.8 Ų63.846%0.46232%0.323SS..Hα-helixtrans-63.1-45.4175.4-63.30000112.2P189 L190 Y195 F196 V197P189-S193 PolarHBondContact O-N 3.42Å; P189-S193 PolarHBondContact O-OG 3Å; L190-S193 WeakPolarHBondContact O-CB 3.36Å; L190-S193 PolarHBondContact O-N 2.86Å; S193-Y195 VanDerWaalsContact C-N 3.27Å; S193-Y195 PolarHBondContact O-N 3.34Å; S193-F196 PolarHBondContact O-N 2.72Å; S193-F196 VanDerWaalsContact O-N 3.15Å; S193-V197 WeakPolarHBondContact O-CG2 3.27Å; S193-V197 PolarHBondContact O-N 2.94Å
194I95.2Very high92.8Very high57 Ų5763.5 Ų63.529%0.29233%0.325SS..Hα-helixtrans-62.1-38.8176.6-69167.6000110.4L190 V197 G198 I243 A247L190-I194 HydrophobicContact CD1-CD1 4.41Å; L190-I194 HydrophobicContact CD2-CD1 4.25Å; L190-I194 HydrophobicContact CG-CD1 3.88Å; L190-I194 HydrophobicContact CG-CG1 4.49Å; L190-I194 WeakPolarHBondContact O-CG1 3.37Å; L190-I194 PolarHBondContact O-N 2.73Å; I194-V197 PolarHBondContact O-N 2.82Å; I194-G198 PolarHBondContact O-N 2.95Å; I194-I243 HydrophobicContact CB-CG2 3.8Å; I194-I243 HydrophobicContact CD1-CG2 3.69Å; I194-I243 HydrophobicContact CG1-CG2 4.34Å; I194-I243 HydrophobicContact CG2-CG2 3.7Å; I194-A247 HydrophobicContact CG2-CB 3.7Å
195Y92.9Very high93.1Very high9 Ų963.7 Ų63.74%0.03532%0.324CS..Hα-helixtrans-59.3-46173.2179.6-93.3000112T65 P66 G191 S192 S193 G198 M199 R246 A250T65-Y195 VanDerWaalsContact C-OH 3.26Å; T65-Y195 WeakPolarHBondContact CB-OH 3.47Å; T65-Y195 PolarHBondContact O-OH 3.36Å; T65-Y195 PolarHBondContact OG1-OH 3.24Å; P66-Y195 HydrophobicContact CB-CE1 4.26Å; G191-Y195 WeakPolarHBondContact O-CB 3.11Å; G191-Y195 PolarHBondContact O-N 3.31Å; S192-Y195 WeakPolarHBondContact O-CB 3.42Å; S192-Y195 PolarHBondContact O-N 3Å; S193-Y195 VanDerWaalsContact C-N 3.27Å; S193-Y195 PolarHBondContact O-N 3.34Å; Y195-G198 WeakPolarHBondContact O-CA 3.29Å; Y195-G198 PolarHBondContact O-N 2.85Å; Y195-M199 HydrophobicContact CD1-CG 4.27Å; Y195-M199 HydrophobicContact CD1-SD 3.9Å; Y195-M199 HydrophobicContact CE1-CG 3.9Å; Y195-M199 HydrophobicContact CE1-SD 3.36Å; Y195-M199 WeakPolarHBondContact CE1-SD 3.48Å; Y195-M199 WeakPolarHBondContact O-CG 3.3Å; Y195-M199 PolarHBondContact O-N 3.48Å; Y195-R246 HydrophobicContact CD2-CB 4.46Å; Y195-R246 VanDerWaalsContact CE2-CZ 3.46Å; Y195-R246 VanDerWaalsContact CE2-NH1 3.32Å; Y195-R246 VanDerWaalsContact CE2-NH2 3.29Å; Y195-A250 HydrophobicContact CD2-CB 3.53Å; Y195-A250 HydrophobicContact CE2-CB 3.34Å; Y195-A250 HydrophobicContact CG-CB 4.19Å
196F93.8Very high93.2Very high125 Ų12560.3 Ų60.355%0.54831%0.306SS..Hα-helixtrans-66-37.3176.5-69.8-56.6000113.6S192 S193 G198 M199 M200S192-F196 WeakPolarHBondContact O-CD2 3.38Å; S192-F196 PolarHBondContact O-N 2.9Å; S193-F196 PolarHBondContact O-N 2.72Å; S193-F196 VanDerWaalsContact O-N 3.15Å; F196-G198 VanDerWaalsContact C-N 3.28Å; F196-G198 PolarHBondContact O-N 3.38Å; F196-M199 HydrophobicContact CD1-SD 3.7Å; F196-M199 HydrophobicContact CE1-SD 4.1Å; F196-M199 WeakPolarHBondContact O-CB 3.38Å; F196-M199 PolarHBondContact O-N 3.37Å; F196-M199 VanDerWaalsContact O-N 3.17Å; F196-M200 PolarHBondContact O-N 2.78Å
197V96.2Very high93.2Very high77 Ų7754.6 Ų54.647%0.46729%0.292SS..Hα-helixtrans-61.4-41.5171.7172.90000110.2S193 I194 M199 M200 I201S193-V197 WeakPolarHBondContact O-CG2 3.27Å; S193-V197 PolarHBondContact O-N 2.94Å; I194-V197 PolarHBondContact O-N 2.82Å; V197-M199 PolarHBondContact O-N 3.16Å; V197-M200 WeakPolarHBondContact O-CB 3.41Å; V197-M200 PolarHBondContact O-N 2.88Å; V197-I201 HydrophobicContact CG1-CD1 4.12Å; V197-I201 WeakPolarHBondContact O-CG1 3.5Å; V197-I201 PolarHBondContact O-N 3.4Å
198G95.6Very high93.3Very high3 Ų358.9 Ų58.93%0.03131%0.307CS..Hα-helixtrans-58-44.7171.600000112.5I194 Y195 F196 M200 I201 G202 I251I194-G198 PolarHBondContact O-N 2.95Å; Y195-G198 WeakPolarHBondContact O-CA 3.29Å; Y195-G198 PolarHBondContact O-N 2.85Å; F196-G198 VanDerWaalsContact C-N 3.28Å; F196-G198 PolarHBondContact O-N 3.38Å; G198-M200 VanDerWaalsContact C-N 3.35Å; G198-M200 PolarHBondContact O-N 3.19Å; G198-I201 PolarHBondContact O-N 2.91Å; G198-G202 PolarHBondContact O-N 3.16Å; G198-I251 WeakPolarHBondContact O-CA 3.41Å; G198-I251 WeakPolarHBondContact O-CG1 3.39Å
199M93.9Very high93.2Very high30 Ų3058.5 Ų58.515%0.14831%0.305CS..Hα-helixtrans-59.2-43.8174.6-65.2-179.55500112.3Y195 F196 V197 I201 G202 F203 A250 I254Y195-M199 HydrophobicContact CD1-CG 4.27Å; Y195-M199 HydrophobicContact CD1-SD 3.9Å; Y195-M199 HydrophobicContact CE1-CG 3.9Å; Y195-M199 HydrophobicContact CE1-SD 3.36Å; Y195-M199 WeakPolarHBondContact CE1-SD 3.48Å; Y195-M199 WeakPolarHBondContact O-CG 3.3Å; Y195-M199 PolarHBondContact O-N 3.48Å; F196-M199 HydrophobicContact CD1-SD 3.7Å; F196-M199 HydrophobicContact CE1-SD 4.1Å; F196-M199 WeakPolarHBondContact O-CB 3.38Å; F196-M199 PolarHBondContact O-N 3.37Å; F196-M199 VanDerWaalsContact O-N 3.17Å; V197-M199 PolarHBondContact O-N 3.16Å; M199-I201 PolarHBondContact O-N 3.27Å; M199-G202 WeakPolarHBondContact O-CA 3.48Å; M199-G202 PolarHBondContact O-N 3Å; M199-G202 VanDerWaalsContact O-N 3.17Å; M199-F203 HydrophobicContact CE-CE2 4.48Å; M199-F203 WeakPolarHBondContact O-CD2 3.34Å; M199-F203 PolarHBondContact O-N 3.43Å; M199-A250 HydrophobicContact CG-CB 4.01Å; M199-I254 HydrophobicContact CB-CG1 3.93Å; M199-I254 HydrophobicContact CE-CD1 3.78Å; M199-I254 HydrophobicContact CE-CG1 3.99Å; M199-I254 HydrophobicContact CG-CD1 4.48Å; M199-I254 HydrophobicContact CG-CG1 3.72Å
200M95.1Very high93Very high111 Ų11155.3 Ų55.355%0.54729%0.285SS..Hα-helixtrans-59.5-46.4177.9-175.2-175.175.200111.7F196 V197 G198 G202 F203 I204F196-M200 PolarHBondContact O-N 2.78Å; V197-M200 WeakPolarHBondContact O-CB 3.41Å; V197-M200 PolarHBondContact O-N 2.88Å; G198-M200 VanDerWaalsContact C-N 3.35Å; G198-M200 PolarHBondContact O-N 3.19Å; M200-G202 VanDerWaalsContact C-N 3.3Å; M200-G202 PolarHBondContact O-N 3.33Å; M200-F203 PolarHBondContact O-N 2.9Å; M200-I204 PolarHBondContact O-N 3.31Å
201I96.4Very high92.9Very high78 Ų7857 Ų5740%0.429%0.294SS..Hα-helixtrans-62.3-41.4175.7-65.5167.1000110.3V197 G198 M199 F203 I204 F205 I251V197-I201 HydrophobicContact CG1-CD1 4.12Å; V197-I201 WeakPolarHBondContact O-CG1 3.5Å; V197-I201 PolarHBondContact O-N 3.4Å; G198-I201 PolarHBondContact O-N 2.91Å; M199-I201 PolarHBondContact O-N 3.27Å; I201-F203 PolarHBondContact O-N 3.32Å; I201-I204 PolarHBondContact O-N 3.44Å; I201-F205 VanDerWaalsContact O-CB 3.29Å; I201-F205 WeakPolarHBondContact O-CB 3.44Å; I201-F205 PolarHBondContact O-N 3.3Å; I201-I251 HydrophobicContact CB-CD1 4.5Å; I201-I251 HydrophobicContact CB-CG1 4.21Å; I201-I251 HydrophobicContact CG2-CD1 4.24Å; I201-I251 HydrophobicContact CG2-CG1 4.24Å; I201-I251 HydrophobicContact CG2-CG2 4.31Å
202G94.5Very high92.8Very high0 Ų062.7 Ų62.70%032%0.318CS..Hα-helixtrans-59.1-40.4176.100000113.6G198 M199 M200 G206 I251 G255G198-G202 PolarHBondContact O-N 3.16Å; M199-G202 WeakPolarHBondContact O-CA 3.48Å; M199-G202 PolarHBondContact O-N 3Å; M199-G202 VanDerWaalsContact O-N 3.17Å; M200-G202 VanDerWaalsContact C-N 3.3Å; M200-G202 PolarHBondContact O-N 3.33Å; G202-G206 WeakPolarHBondContact O-CA 3.19Å; G202-G206 PolarHBondContact O-N 3.46Å; G202-I251 WeakPolarHBondContact CA-O 3.41Å; G202-G255 WeakPolarHBondContact O-CA 3.05Å
203F93.4Very high92.6Very high109 Ų10967 Ų6748%0.47833%0.333SS..Hα-helixtrans-62.8-46.6176.1-79.2-61000112.3M199 M200 I201 G207 I254 T258M199-F203 HydrophobicContact CE-CE2 4.48Å; M199-F203 WeakPolarHBondContact O-CD2 3.34Å; M199-F203 PolarHBondContact O-N 3.43Å; M200-F203 PolarHBondContact O-N 2.9Å; I201-F203 PolarHBondContact O-N 3.32Å; F203-G207 PolarHBondContact O-N 3.17Å; F203-I254 HydrophobicContact CB-CG2 4.39Å; F203-I254 HydrophobicContact CD1-CG2 3.42Å; F203-I254 VanDerWaalsContact CD1-CG2 3.42Å; F203-I254 HydrophobicContact CD2-CG2 3.62Å; F203-I254 HydrophobicContact CE1-CG2 3.4Å; F203-I254 HydrophobicContact CE2-CG2 3.6Å; F203-I254 HydrophobicContact CG-CG2 3.52Å; F203-I254 HydrophobicContact CZ-CG2 3.49Å; F203-I254 VanDerWaalsContact CZ-CG2 3.49Å; F203-T258 WeakPolarHBondContact CD1-OG1 3.28Å
204I94.4Very high92.2Very high121 Ų12165.4 Ų65.462%0.62133%0.327SS*.Hα-helixtrans-66.8-50.2-179.3-61.3169.3000110.1M200 I201 W208M200-I204 PolarHBondContact O-N 3.31Å; I201-I204 PolarHBondContact O-N 3.44Å; I204-W208 PolarHBondContact O-N 2.92Å
205F93Very high91.8Very high92 Ų9264.9 Ų64.940%0.40432%0.321SS..Hα-helixtrans-69.5-37.9-176.7-170.8-98.8000112.3I201 W208 A209I201-F205 VanDerWaalsContact O-CB 3.29Å; I201-F205 WeakPolarHBondContact O-CB 3.44Å; I201-F205 PolarHBondContact O-N 3.3Å; F205-W208 HydrophobicContact CD2-CE3 4.07Å; F205-W208 HydrophobicContact CD2-CZ3 4.35Å; F205-W208 AromaticContact CE2-CE3 3.88Å; F205-W208 HydrophobicContact CE2-CE3 3.88Å; F205-W208 AromaticContact CE2-CZ3 3.72Å; F205-W208 HydrophobicContact CE2-CZ3 3.72Å; F205-W208 HydrophobicContact CZ-CZ3 4.34Å; F205-W208 PolarHBondContact O-N 2.95Å; F205-A209 HydrophobicContact CD1-CB 4.27Å; F205-A209 HydrophobicContact CE1-CB 4.04Å; F205-A209 HydrophobicContact CZ-CB 4.44Å; F205-A209 WeakPolarHBondContact O-CB 3.5Å; F205-A209 PolarHBondContact O-N 3.15Å
206G89.9Confident91.4Very high0 Ų067.7 Ų67.70%033%0.334CS..Hα-helixtrans-61.1-47.4178.400000112.5G202 G210 V259G202-G206 WeakPolarHBondContact O-CA 3.19Å; G202-G206 PolarHBondContact O-N 3.46Å; G206-G210 PolarHBondContact O-N 3.33Å; G206-V259 WeakPolarHBondContact O-CG2 3.48Å
207G89.8Confident91.2Very high25 Ų2568.9 Ų68.926%0.25834%0.338SS..Hα-helixtrans-59.3-53.1175.400000111.7F203 A209 G210 D211F203-G207 PolarHBondContact O-N 3.17Å; G207-A209 PolarHBondContact O-N 3.16Å; G207-G210 PolarHBondContact O-N 3.19Å; G207-D211 PolarHBondContact O-N 2.9Å
208W91.8Very high91Very high138 Ų13865.4 Ų65.452%0.52332%0.318SS..Hα-helixtrans-60.4-45.6180179.175000113.2I204 F205 G210 D211 Q212 F213I204-W208 PolarHBondContact O-N 2.92Å; F205-W208 HydrophobicContact CD2-CE3 4.07Å; F205-W208 HydrophobicContact CD2-CZ3 4.35Å; F205-W208 AromaticContact CE2-CE3 3.88Å; F205-W208 HydrophobicContact CE2-CE3 3.88Å; F205-W208 AromaticContact CE2-CZ3 3.72Å; F205-W208 HydrophobicContact CE2-CZ3 3.72Å; F205-W208 HydrophobicContact CZ-CZ3 4.34Å; F205-W208 PolarHBondContact O-N 2.95Å; W208-G210 VanDerWaalsContact C-N 3.35Å; W208-G210 PolarHBondContact O-N 3.3Å; W208-D211 PolarHBondContact O-N 3.49Å; W208-Q212 HydrophobicContact CD2-CG 4.4Å; W208-Q212 HydrophobicContact CZ2-CG 4.29Å; W208-Q212 WeakPolarHBondContact O-CG 3.44Å; W208-Q212 PolarHBondContact O-N 3.33Å; W208-Q212 VanDerWaalsContact O-N 3.08Å; W208-F213 HydrophobicContact CH2-CE2 4.2Å; W208-F213 AromaticContact CZ3-CE2 3.99Å; W208-F213 HydrophobicContact CZ3-CE2 3.99Å
209A89.3Confident90.7Very high3 Ų365.3 Ų65.33%0.02532%0.317CS..Hα-helixtrans-67.6-35.5-17900000112.3F205 G207 D211 F213 S218F205-A209 HydrophobicContact CD1-CB 4.27Å; F205-A209 HydrophobicContact CE1-CB 4.04Å; F205-A209 HydrophobicContact CZ-CB 4.44Å; F205-A209 WeakPolarHBondContact O-CB 3.5Å; F205-A209 PolarHBondContact O-N 3.15Å; G207-A209 PolarHBondContact O-N 3.16Å; A209-D211 VanDerWaalsContact C-N 3.31Å; A209-D211 PolarHBondContact O-N 3.5Å; A209-F213 HydrophobicContact CB-CD2 4.19Å; A209-F213 PolarHBondContact O-N 3.27Å; A209-S218 WeakPolarHBondContact CB-OG 3.13Å
210G87.8Confident90.5Very high3 Ų365.3 Ų65.33%0.03132%0.317CS..Hα-helixtrans-62.2-37.9175.600000113G206 G207 W208 G214 R215G206-G210 PolarHBondContact O-N 3.33Å; G207-G210 PolarHBondContact O-N 3.19Å; W208-G210 VanDerWaalsContact C-N 3.35Å; W208-G210 PolarHBondContact O-N 3.3Å; G210-G214 CarbonylContact O-C 3.59Å; G210-G214 WeakPolarHBondContact O-CA 3.32Å; G210-R215 PolarHBondContact O-N 3.44Å
211D89.7Confident90.3Very high107 Ų10764.3 Ų64.357%0.57231%0.313SS*.Hα-helixtrans-82.7-32.3-177.3-63-16.6000112.5G207 W208 A209 R215G207-D211 PolarHBondContact O-N 2.9Å; W208-D211 PolarHBondContact O-N 3.49Å; A209-D211 VanDerWaalsContact C-N 3.31Å; A209-D211 PolarHBondContact O-N 3.5Å; D211-R215 IonicContact OD1-CZ 3.87Å; D211-R215 IonicContact OD1-NH1 2.83Å; D211-R215 PolarHBondContact OD1-NH1 3.46Å; D211-R215 IonicContact OD1-NH2 3.51Å; D211-R215 PolarHBondContact OD1-NH2 3.18Å
212Q90.6Very high90.1Very high130 Ų13061 Ų6161%0.60730%0.296SS*.Hα-helixtrans-87.3-47.7-178.1-66.9-65-32.100114.3W208W208-Q212 HydrophobicContact CD2-CG 4.4Å; W208-Q212 HydrophobicContact CZ2-CG 4.29Å; W208-Q212 WeakPolarHBondContact O-CG 3.44Å; W208-Q212 PolarHBondContact O-N 3.33Å; W208-Q212 VanDerWaalsContact O-N 3.08Å
213F87.4Confident89.9Confident122 Ų12261 Ų6154%0.53530%0.296SS..SBendtrans-92.5-6.4-174.8-62.6-77.1000113.4W208 A209W208-F213 HydrophobicContact CH2-CE2 4.2Å; W208-F213 AromaticContact CZ3-CE2 3.99Å; W208-F213 HydrophobicContact CZ3-CE2 3.99Å; A209-F213 HydrophobicContact CB-CD2 4.19Å; A209-F213 PolarHBondContact O-N 3.27Å
214G86.3Confident89.9Confident33 Ų3359.4 Ų59.434%0.3429%0.292SS..  trans86.9139.3-171.200000112.5G210 K216 K217 S218G210-G214 CarbonylContact O-C 3.59Å; G210-G214 WeakPolarHBondContact O-CA 3.32Å; G214-K216 PolarHBondContact O-N 2.93Å; G214-K217 PolarHBondContact O-N 3.25Å; G214-S218 WeakPolarHBondContact O-CB 3.36Å; G214-S218 PolarHBondContact O-N 3.05Å
215R85.4Confident89.8Confident47 Ų4756.5 Ų56.518%0.17728%0.277CS..Hα-helixtrans-57.9-43.6-171.3-59-164.7-172.1-63.5-2114G210 D211 S219 V259 L263 E266G210-R215 PolarHBondContact O-N 3.44Å; D211-R215 IonicContact OD1-CZ 3.87Å; D211-R215 IonicContact OD1-NH1 2.83Å; D211-R215 PolarHBondContact OD1-NH1 3.46Å; D211-R215 IonicContact OD1-NH2 3.51Å; D211-R215 PolarHBondContact OD1-NH2 3.18Å; R215-S219 WeakPolarHBondContact O-CB 3.49Å; R215-S219 PolarHBondContact O-N 3.33Å; R215-S219 PolarHBondContact O-OG 2.93Å; R215-V259 HydrophobicContact CB-CG1 3.77Å; R215-V259 HydrophobicContact CG-CG1 4.23Å; R215-V259 VanDerWaalsContact O-CG1 3.28Å; R215-V259 WeakPolarHBondContact O-CG1 3.3Å; R215-L263 HydrophobicContact CB-CD1 4.3Å; R215-E266 VanDerWaalsContact CD-OE2 3.25Å; R215-E266 WeakPolarHBondContact CD-OE2 3.31Å; R215-E266 IonicContact CZ-OE1 3.21Å; R215-E266 IonicContact CZ-OE2 2.66Å; R215-E266 IonicContact NE-OE1 2.82Å; R215-E266 PolarHBondContact NE-OE1 3.17Å; R215-E266 IonicContact NE-OE2 3.96Å; R215-E266 PolarHBondContact NE-OE2 3.01Å; R215-E266 IonicContact NH2-OE1 3.85Å; R215-E266 PolarHBondContact NH2-OE1 3.47Å
216K85.8Confident89.8Confident68 Ų6852.1 Ų52.130%0.29626%0.258SS..Hα-helixtrans-64.4-50.2-179.1-175.9178.6177.9-176.30111.9G214 S219 I220 F320 F323 S324G214-K216 PolarHBondContact O-N 2.93Å; K216-S219 PolarHBondContact O-N 3.41Å; K216-I220 HydrophobicContact CG-CD1 4.15Å; K216-I220 WeakPolarHBondContact O-CG1 3.32Å; K216-I220 PolarHBondContact O-N 2.94Å; K216-I220 VanDerWaalsContact O-N 3.15Å; K216-F320 VanDerWaalsContact CE-O 3.25Å; K216-F320 WeakPolarHBondContact CE-O 3.42Å; K216-F320 HydrophobicContact CG-CD1 4.08Å; K216-F320 PolarHBondContact NZ-O 3.44Å; K216-F323 PolarHBondContact NZ-O 3.3Å; K216-S324 PolarHBondContact NZ-OG 3.08Å; K216-S324 VanDerWaalsContact NZ-OG 3.16Å
217K89.1Confident89.9Confident149 Ų14954.9 Ų54.965%0.64827%0.27SS*.Hα-helixtrans-64.6-44.9-178.9-68.9-179-177.5175.70111.5G214 S219 I220 I221G214-K217 PolarHBondContact O-N 3.25Å; K217-S219 VanDerWaalsContact C-N 3.33Å; K217-S219 PolarHBondContact O-N 2.95Å; K217-I220 PolarHBondContact O-N 3.44Å; K217-I221 WeakPolarHBondContact O-CG1 3.31Å; K217-I221 PolarHBondContact O-N 3.42Å
218S91.5Very high90.1Very high5 Ų557.9 Ų57.94%0.03528%0.279CS..Hα-helixtrans-57.1-46.2176.2-177.10000111.6A209 G214 I220 I221 L222A209-S218 WeakPolarHBondContact CB-OG 3.13Å; G214-S218 WeakPolarHBondContact O-CB 3.36Å; G214-S218 PolarHBondContact O-N 3.05Å; S218-I220 PolarHBondContact O-N 2.92Å; S218-I221 PolarHBondContact O-N 2.82Å; S218-L222 WeakPolarHBondContact O-CB 3.12Å; S218-L222 WeakPolarHBondContact O-CD1 3.36Å; S218-L222 VanDerWaalsContact O-CG 3.27Å; S218-L222 WeakPolarHBondContact O-CG 3.17Å; S218-L222 PolarHBondContact O-N 2.9Å
219S88.9Confident90.2Very high1 Ų154.5 Ų54.51%0.00727%0.268CS..Hα-helixtrans-61-42.1178-55.30000113R215 K216 K217 A223 V259 L260R215-S219 WeakPolarHBondContact O-CB 3.49Å; R215-S219 PolarHBondContact O-N 3.33Å; R215-S219 PolarHBondContact O-OG 2.93Å; K216-S219 PolarHBondContact O-N 3.41Å; K217-S219 VanDerWaalsContact C-N 3.33Å; K217-S219 PolarHBondContact O-N 2.95Å; S219-A223 VanDerWaalsContact O-CB 3.3Å; S219-A223 WeakPolarHBondContact O-CB 3.46Å; S219-A223 PolarHBondContact O-N 3.13Å; S219-V259 VanDerWaalsContact OG-CG1 3.26Å; S219-V259 WeakPolarHBondContact OG-CG1 3.16Å; S219-L260 WeakPolarHBondContact OG-CD2 3.29Å
220I89.6Confident90.4Very high29 Ų2954.4 Ų54.415%0.14927%0.267CS..Hα-helixtrans-66.1-46.7179.1-65.7166.5000110.9K216 K217 S218 L222 A223 I224 F320K216-I220 HydrophobicContact CG-CD1 4.15Å; K216-I220 WeakPolarHBondContact O-CG1 3.32Å; K216-I220 PolarHBondContact O-N 2.94Å; K216-I220 VanDerWaalsContact O-N 3.15Å; K217-I220 PolarHBondContact O-N 3.44Å; S218-I220 PolarHBondContact O-N 2.92Å; I220-L222 VanDerWaalsContact C-N 3.33Å; I220-L222 PolarHBondContact O-N 2.86Å; I220-A223 PolarHBondContact O-N 3.07Å; I220-I224 HydrophobicContact CG2-CD1 3.84Å; I220-I224 HydrophobicContact CG2-CG1 4.47Å; I220-I224 WeakPolarHBondContact O-CG1 3.35Å; I220-I224 PolarHBondContact O-N 3.4Å; I220-F320 HydrophobicContact CD1-CB 3.94Å; I220-F320 HydrophobicContact CG1-CB 3.72Å; I220-F320 HydrophobicContact CG1-CG 4.34Å
221I91.8Very high90.7Very high91 Ų9157 Ų5747%0.46728%0.28SS..Hα-helixtrans-60.2-46.5179.5-67.7166.7000110K217 S218 A223 I224 I225K217-I221 WeakPolarHBondContact O-CG1 3.31Å; K217-I221 PolarHBondContact O-N 3.42Å; S218-I221 PolarHBondContact O-N 2.82Å; I221-A223 PolarHBondContact O-N 3.19Å; I221-I224 PolarHBondContact O-N 3.08Å; I221-I225 HydrophobicContact CG2-CD1 3.87Å; I221-I225 VanDerWaalsContact O-CG1 3.3Å; I221-I225 WeakPolarHBondContact O-CG1 3.3Å; I221-I225 PolarHBondContact O-N 3.47Å
222L92.3Very high90.9Very high8 Ų854.6 Ų54.64%0.04227%0.271CS..Hα-helixtrans-64.7-38.7178.3-68.5166.4000111.9S218 I220 I225 E226 K256 V259S218-L222 WeakPolarHBondContact O-CB 3.12Å; S218-L222 WeakPolarHBondContact O-CD1 3.36Å; S218-L222 VanDerWaalsContact O-CG 3.27Å; S218-L222 WeakPolarHBondContact O-CG 3.17Å; S218-L222 PolarHBondContact O-N 2.9Å; I220-L222 VanDerWaalsContact C-N 3.33Å; I220-L222 PolarHBondContact O-N 2.86Å; L222-I225 PolarHBondContact O-N 3.36Å; L222-E226 WeakPolarHBondContact O-CB 3.18Å; L222-E226 PolarHBondContact O-N 3.03Å; L222-K256 HydrophobicContact CB-CB 4.04Å; L222-V259 HydrophobicContact CD1-CG2 4.49Å
223A90.7Very high91Very high1 Ų148.4 Ų48.41%0.00824%0.242CC..Hα-helixtrans-64.2-40.6175.600000112.7S219 I220 I221 E226 F227 K256 I317S219-A223 VanDerWaalsContact O-CB 3.3Å; S219-A223 WeakPolarHBondContact O-CB 3.46Å; S219-A223 PolarHBondContact O-N 3.13Å; I220-A223 PolarHBondContact O-N 3.07Å; I221-A223 PolarHBondContact O-N 3.19Å; A223-E226 PolarHBondContact O-N 3.15Å; A223-F227 WeakPolarHBondContact O-CB 3.33Å; A223-F227 PolarHBondContact O-N 3.29Å; A223-K256 HydrophobicContact CB-CD 3.92Å; A223-I317 HydrophobicContact CB-CD1 4.31Å; A223-I317 HydrophobicContact CB-CG1 3.79Å
224I92.4Very high91.3Very high74 Ų7442.8 Ų42.838%0.37922%0.217SC..Hα-helixtrans-64-46176-68.1166.7000110.6I220 I221 F227 I228 I317I220-I224 HydrophobicContact CG2-CD1 3.84Å; I220-I224 HydrophobicContact CG2-CG1 4.47Å; I220-I224 WeakPolarHBondContact O-CG1 3.35Å; I220-I224 PolarHBondContact O-N 3.4Å; I221-I224 PolarHBondContact O-N 3.08Å; I224-F227 PolarHBondContact O-N 2.62Å; I224-I228 HydrophobicContact CG2-CD1 3.74Å; I224-I228 HydrophobicContact CG2-CG1 4.47Å; I224-I228 WeakPolarHBondContact O-CG1 3.35Å; I224-I228 PolarHBondContact O-N 2.85Å; I224-I317 HydrophobicContact CG1-CD1 4.39Å
225I93.7Very high91.6Very high61 Ų6147.2 Ų47.231%0.31323%0.233SC..Hα-helixtrans-60.2-47.7176.7-67.2168.4000110.1I221 L222 F227 I228 F229 I248 A252I221-I225 HydrophobicContact CG2-CD1 3.87Å; I221-I225 VanDerWaalsContact O-CG1 3.3Å; I221-I225 WeakPolarHBondContact O-CG1 3.3Å; I221-I225 PolarHBondContact O-N 3.47Å; L222-I225 PolarHBondContact O-N 3.36Å; I225-F227 VanDerWaalsContact C-N 3.32Å; I225-F227 PolarHBondContact O-N 3Å; I225-I228 PolarHBondContact O-N 2.76Å; I225-F229 HydrophobicContact CG2-CD2 3.77Å; I225-F229 HydrophobicContact CG2-CE2 4.11Å; I225-F229 WeakPolarHBondContact O-CB 3.4Å; I225-F229 WeakPolarHBondContact O-CD2 3.35Å; I225-F229 PolarHBondContact O-N 3.28Å; I225-I248 HydrophobicContact CG2-CG2 4.08Å; I225-A252 HydrophobicContact CB-CB 4.27Å; I225-A252 HydrophobicContact CG2-CB 3.91Å
226E92.9Very high92Very high0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-57-45.4177.7-174.3-173.4-173.800111.6L222 A223 S230 V249 A252 N253 K256 N313L222-E226 WeakPolarHBondContact O-CB 3.18Å; L222-E226 PolarHBondContact O-N 3.03Å; A223-E226 PolarHBondContact O-N 3.15Å; E226-S230 WeakPolarHBondContact O-CB 3.36Å; E226-S230 PolarHBondContact O-N 3.23Å; E226-V249 HydrophobicContact CG-CG1 4.25Å; E226-A252 HydrophobicContact CB-CB 3.78Å; E226-N253 HydrophobicContact CG-CB 4.34Å; E226-N253 WeakPolarHBondContact OE1-CB 3.47Å; E226-N253 PolarHBondContact OE1-ND2 3.15Å; E226-K256 IonicContact OE1-NZ 2.67Å; E226-K256 VanDerWaalsContact OE2-CE 3.31Å; E226-K256 WeakPolarHBondContact OE2-CE 3.42Å; E226-K256 IonicContact OE2-NZ 3.12Å; E226-K256 PolarHBondContact OE2-NZ 3.06Å; E226-N313 WeakPolarHBondContact CG-ND2 3.09Å; E226-N313 PolarHBondContact OE2-ND2 2.96Å
227F91.3Very high92.3Very high57 Ų5745.9 Ų45.925%0.2524%0.237CC..Hα-helixtrans-63.9-49.2-179.7-178.7-107000112.5A223 I224 I225 S230 I231 L314 I317A223-F227 WeakPolarHBondContact O-CB 3.33Å; A223-F227 PolarHBondContact O-N 3.29Å; I224-F227 PolarHBondContact O-N 2.62Å; I225-F227 VanDerWaalsContact C-N 3.32Å; I225-F227 PolarHBondContact O-N 3Å; F227-S230 PolarHBondContact O-N 3.49Å; F227-I231 HydrophobicContact CD1-CD1 4.11Å; F227-I231 HydrophobicContact CE1-CD1 3.52Å; F227-I231 HydrophobicContact CE2-CD1 4.17Å; F227-I231 HydrophobicContact CZ-CD1 3.55Å; F227-I231 HydrophobicContact CZ-CG1 4.43Å; F227-I231 PolarHBondContact O-N 2.63Å; F227-I231 VanDerWaalsContact O-N 3.15Å; F227-L314 HydrophobicContact CD1-CD2 4.22Å; F227-L314 HydrophobicContact CD2-CD2 3.68Å; F227-L314 HydrophobicContact CD2-CG 3.92Å; F227-L314 HydrophobicContact CE1-CD2 3.94Å; F227-L314 HydrophobicContact CE2-CD1 3.71Å; F227-L314 HydrophobicContact CE2-CD2 3.38Å; F227-L314 HydrophobicContact CE2-CG 3.49Å; F227-L314 VanDerWaalsContact CE2-CG 3.49Å; F227-L314 HydrophobicContact CG-CD2 4.1Å; F227-L314 HydrophobicContact CZ-CD1 4.01Å; F227-L314 HydrophobicContact CZ-CD2 3.51Å; F227-L314 HydrophobicContact CZ-CG 4.03Å; F227-I317 HydrophobicContact CB-CD1 4.2Å
228I94.3Very high92.5Very high88 Ų8843.5 Ų43.545%0.45123%0.231SC..Hα-helixtrans-60.7-50.9179.8-67.2168.4000110.4I224 I225 S230 I231 C232I224-I228 HydrophobicContact CG2-CD1 3.74Å; I224-I228 HydrophobicContact CG2-CG1 4.47Å; I224-I228 WeakPolarHBondContact O-CG1 3.35Å; I224-I228 PolarHBondContact O-N 2.85Å; I225-I228 PolarHBondContact O-N 2.76Å; I228-S230 VanDerWaalsContact C-N 3.25Å; I228-S230 PolarHBondContact O-N 3.03Å; I228-I231 PolarHBondContact O-N 3.25Å; I228-C232 PolarHBondContact O-N 3.47Å; I228-C232 PolarHBondContact O-SG 2.97Å; I228-C232 VanDerWaalsContact O-SG 3.33Å
229F94.4Very high92.5Very high67 Ų6744.1 Ų44.129%0.29423%0.233SC..Hα-helixtrans-69.4-25.1-177.7-82.6-83.7000112.9I225 C232 T233 I248 V249I225-F229 HydrophobicContact CG2-CD2 3.77Å; I225-F229 HydrophobicContact CG2-CE2 4.11Å; I225-F229 WeakPolarHBondContact O-CB 3.4Å; I225-F229 WeakPolarHBondContact O-CD2 3.35Å; I225-F229 PolarHBondContact O-N 3.28Å; F229-C232 WeakPolarHBondContact O-CB 3.46Å; F229-C232 PolarHBondContact O-N 3.18Å; F229-T233 PolarHBondContact O-N 2.92Å; F229-T233 PolarHBondContact O-OG1 3.49Å; F229-I248 HydrophobicContact CB-CB 4.46Å; F229-I248 HydrophobicContact CB-CG2 4.15Å; F229-I248 HydrophobicContact CD1-CB 3.87Å; F229-I248 HydrophobicContact CD1-CD1 3.74Å; F229-I248 HydrophobicContact CD1-CG1 4.41Å; F229-I248 HydrophobicContact CD1-CG2 3.77Å; F229-I248 HydrophobicContact CD2-CB 4.41Å; F229-I248 HydrophobicContact CD2-CG2 3.44Å; F229-I248 VanDerWaalsContact CD2-CG2 3.44Å; F229-I248 HydrophobicContact CE1-CB 4.21Å; F229-I248 HydrophobicContact CE1-CD1 3.26Å; F229-I248 HydrophobicContact CE1-CG1 4.31Å; F229-I248 HydrophobicContact CE1-CG2 3.99Å; F229-I248 HydrophobicContact CE2-CG2 3.66Å; F229-I248 HydrophobicContact CG-CB 3.98Å; F229-I248 HydrophobicContact CG-CG2 3.49Å; F229-I248 VanDerWaalsContact CG-CG2 3.49Å; F229-I248 HydrophobicContact CZ-CD1 3.74Å; F229-I248 HydrophobicContact CZ-CG2 3.92Å; F229-V249 HydrophobicContact CB-CG2 3.69Å
230S92.3Very high92.7Very high1 Ų149.4 Ų49.41%0.00726%0.26CS..Hα-helixtrans-71.4-36.6173.9-163.60000113.1E226 F227 I228 C232 T233 S234 N306 M310E226-S230 WeakPolarHBondContact O-CB 3.36Å; E226-S230 PolarHBondContact O-N 3.23Å; F227-S230 PolarHBondContact O-N 3.49Å; I228-S230 VanDerWaalsContact C-N 3.25Å; I228-S230 PolarHBondContact O-N 3.03Å; S230-C232 VanDerWaalsContact C-N 3.31Å; S230-T233 WeakPolarHBondContact O-CB 3.45Å; S230-T233 PolarHBondContact O-N 3.49Å; S230-S234 PolarHBondContact O-N 2.88Å; S230-N306 PolarHBondContact O-ND2 3.32Å; S230-N306 VanDerWaalsContact O-ND2 3.1Å; S230-N306 PolarHBondContact OG-ND2 3.28Å; S230-N306 VanDerWaalsContact OG-ND2 3.08Å; S230-M310 VanDerWaalsContact CB-SD 3.55Å; S230-M310 WeakPolarHBondContact OG-CG 3.4Å; S230-M310 PolarHBondContact OG-SD 3.29Å
231I93.8Very high92.9Very high59 Ų5951.6 Ų51.630%0.30327%0.271SS..Hα-helixtrans-62.1-43.7168.7-65.3168000109.8F227 I228 T233 S234 L235 L307F227-I231 HydrophobicContact CD1-CD1 4.11Å; F227-I231 HydrophobicContact CE1-CD1 3.52Å; F227-I231 HydrophobicContact CE2-CD1 4.17Å; F227-I231 HydrophobicContact CZ-CD1 3.55Å; F227-I231 HydrophobicContact CZ-CG1 4.43Å; F227-I231 PolarHBondContact O-N 2.63Å; F227-I231 VanDerWaalsContact O-N 3.15Å; I228-I231 PolarHBondContact O-N 3.25Å; I231-T233 VanDerWaalsContact C-N 3.29Å; I231-T233 PolarHBondContact O-N 3.17Å; I231-S234 PolarHBondContact O-N 2.92Å; I231-S234 VanDerWaalsContact O-N 3.1Å; I231-L235 HydrophobicContact CG2-CD1 3.86Å; I231-L235 HydrophobicContact CG2-CG 4.38Å; I231-L235 WeakPolarHBondContact O-CG 3.34Å; I231-L235 PolarHBondContact O-N 3.48Å; I231-L307 HydrophobicContact CG1-CD2 4.17Å
232C94.8Very high93Very high56 Ų5647.7 Ų47.738%0.37825%0.251SS..Hα-helixtrans-59.2-38.8175.3-64.60000112.4I228 F229 S230 L235 S236I228-C232 PolarHBondContact O-N 3.47Å; I228-C232 PolarHBondContact O-SG 2.97Å; I228-C232 VanDerWaalsContact O-SG 3.33Å; F229-C232 WeakPolarHBondContact O-CB 3.46Å; F229-C232 PolarHBondContact O-N 3.18Å; S230-C232 VanDerWaalsContact C-N 3.31Å; C232-L235 CarbonylContact O-C 3.54Å; C232-L235 PolarHBondContact O-N 3.02Å; C232-S236 PolarHBondContact O-N 3.45Å
233T92.8Very high93.1Very high0 Ų047.9 Ų47.90%025%0.252CS..Hα-helixtrans-61.9-45.7172.6-67.30000111.3F229 S230 I231 L235 S236 Y242 S245 R246 W302F229-T233 PolarHBondContact O-N 2.92Å; F229-T233 PolarHBondContact O-OG1 3.49Å; S230-T233 WeakPolarHBondContact O-CB 3.45Å; S230-T233 PolarHBondContact O-N 3.49Å; I231-T233 VanDerWaalsContact C-N 3.29Å; I231-T233 PolarHBondContact O-N 3.17Å; T233-L235 VanDerWaalsContact C-N 3.25Å; T233-L235 PolarHBondContact O-N 3.33Å; T233-S236 WeakPolarHBondContact O-CB 3.4Å; T233-S236 PolarHBondContact O-N 3.48Å; T233-S236 PolarHBondContact O-OG 2.95Å; T233-Y242 HydrophobicContact CG2-CD2 3.82Å; T233-Y242 HydrophobicContact CG2-CE2 3.75Å; T233-S245 WeakPolarHBondContact CA-OG 3.2Å; T233-S245 VanDerWaalsContact OG1-CB 3.28Å; T233-S245 WeakPolarHBondContact OG1-CB 3.42Å; T233-S245 PolarHBondContact OG1-OG 2.87Å; T233-R246 HydrophobicContact CG2-CG 3.71Å; T233-R246 PolarHBondContact OG1-N 3.03Å; T233-W302 HydrophobicContact CG2-CZ3 4.49Å; T233-W302 WeakPolarHBondContact O-CH2 3.2Å
234S92.4Very high93.3Very high3 Ų352.5 Ų52.52%0.02128%0.276CS..Hα-helixtrans-68.3-22.5178.5-75.60000113.9S230 I231 R303 N306 L307S230-S234 PolarHBondContact O-N 2.88Å; I231-S234 PolarHBondContact O-N 2.92Å; I231-S234 VanDerWaalsContact O-N 3.1Å; S234-R303 WeakPolarHBondContact O-CD 3.46Å; S234-R303 WeakPolarHBondContact O-CG 3.37Å; S234-R303 PolarHBondContact O-NH1 3.23Å; S234-R303 PolarHBondContact OG-O 2.86Å; S234-N306 WeakPolarHBondContact OG-CB 3.15Å; S234-N306 PolarHBondContact OG-ND2 3.46Å; S234-L307 WeakPolarHBondContact OG-CG 3.33Å
235L94Very high93.4Very high127 Ų12749.2 Ų49.267%0.66526%0.26SS*.THydrogen-bonded Turntrans-102.36.6177.5-63.7178.2000113.3I231 C232 T233 P237 R303I231-L235 HydrophobicContact CG2-CD1 3.86Å; I231-L235 HydrophobicContact CG2-CG 4.38Å; I231-L235 WeakPolarHBondContact O-CG 3.34Å; I231-L235 PolarHBondContact O-N 3.48Å; C232-L235 CarbonylContact O-C 3.54Å; C232-L235 PolarHBondContact O-N 3.02Å; T233-L235 VanDerWaalsContact C-N 3.25Å; T233-L235 PolarHBondContact O-N 3.33Å; L235-P237 WeakPolarHBondContact O-CD 3.49Å; L235-R303 VanDerWaalsContact C-NH1 3.32Å
236S93.4Very high93.4Very high1 Ų146.7 Ų46.71%0.00725%0.246CC..  trans-62.2123.7-174.261.60000111.2C232 T233 Y242 R303C232-S236 PolarHBondContact O-N 3.45Å; T233-S236 WeakPolarHBondContact O-CB 3.4Å; T233-S236 PolarHBondContact O-N 3.48Å; T233-S236 PolarHBondContact O-OG 2.95Å; S236-Y242 WeakPolarHBondContact OG-CB 3.19Å; S236-R303 PolarHBondContact O-NH1 3.4Å; S236-R303 PolarHBondContact O-NH2 3.47Å
237P92.4Very high93.5Very high86 Ų8647.2 Ų47.256%0.55825%0.25SS*.SBendtrans-84.3-19.2-179.132-35.1000113.1F178 L235 I241F178-P237 WeakPolarHBondContact CE1-O 3.33Å; L235-P237 WeakPolarHBondContact O-CD 3.49Å; P237-I241 HydrophobicContact CG-CD1 3.96Å
238N92.5Very high93.7Very high98 Ų9847.2 Ų47.252%0.52425%0.252SS..SBendtrans-133.3152.4-176.6-69.5-37.2000110.7I240 I241 Y242N238-I240 VanDerWaalsContact C-N 3.3Å; N238-I240 PolarHBondContact O-N 3.22Å; N238-I241 HydrophobicContact CB-CD1 4.41Å; N238-I241 PolarHBondContact O-N 2.97Å; N238-Y242 PolarHBondContact O-N 2.95Å
239Y91.5Very high93.6Very high19 Ų1943.1 Ų43.18%0.07523%0.231CC..Hα-helixtrans-60.2-35.3-179.8-167.1-103.3000113.8V174 F178 T180 F187 V188 Y242 I243V174-Y239 HydrophobicContact CG1-CD2 4.13Å; V174-Y239 HydrophobicContact CG1-CE2 3.81Å; F178-Y239 HydrophobicContact CB-CD2 4.01Å; F178-Y239 HydrophobicContact CB-CG 4.47Å; F178-Y239 AromaticContact CD2-CD2 3.73Å; F178-Y239 HydrophobicContact CD2-CD2 3.73Å; F178-Y239 HydrophobicContact CE2-CD2 4.48Å; F178-Y239 HydrophobicContact CG-CD2 4.04Å; T180-Y239 HydrophobicContact CG2-CD1 4.01Å; T180-Y239 HydrophobicContact CG2-CD2 3.57Å; T180-Y239 HydrophobicContact CG2-CE1 4.27Å; T180-Y239 HydrophobicContact CG2-CE2 3.85Å; T180-Y239 HydrophobicContact CG2-CG 3.66Å; F187-Y239 HydrophobicContact CB-CD1 3.95Å; F187-Y239 HydrophobicContact CB-CE1 3.54Å; F187-Y239 HydrophobicContact CD1-CD1 4.48Å; F187-Y239 HydrophobicContact CG-CD1 4.37Å; F187-Y239 HydrophobicContact CG-CE1 4.38Å; F187-Y239 PolarHBondContact O-OH 3.29Å; V188-Y239 WeakPolarHBondContact CA-OH 3.46Å; Y239-Y242 HydrophobicContact CD2-CD1 4.1Å; Y239-Y242 AromaticContact CE2-CD1 3.89Å; Y239-Y242 HydrophobicContact CE2-CD1 3.89Å; Y239-Y242 HydrophobicContact CE2-CE1 4.17Å; Y239-Y242 WeakPolarHBondContact O-CB 3.41Å; Y239-Y242 PolarHBondContact O-N 3.32Å; Y239-I243 HydrophobicContact CD1-CD1 3.55Å; Y239-I243 HydrophobicContact CD1-CG1 4.08Å; Y239-I243 HydrophobicContact CE1-CD1 3.11Å; Y239-I243 HydrophobicContact CE1-CG1 3.64Å; Y239-I243 WeakPolarHBondContact O-CG1 3.48Å; Y239-I243 PolarHBondContact O-N 2.84Å
240I92.7Very high93.6Very high111 Ų11139.9 Ų39.957%0.56922%0.217SC*.Hα-helixtrans-65.6-45.1178.2-59.8-179.4000111.1N238 Y242 I243 L244N238-I240 VanDerWaalsContact C-N 3.3Å; N238-I240 PolarHBondContact O-N 3.22Å; I240-Y242 VanDerWaalsContact C-N 3.28Å; I240-Y242 PolarHBondContact O-N 2.96Å; I240-I243 PolarHBondContact O-N 3.36Å; I240-L244 HydrophobicContact CG2-CD1 3.98Å; I240-L244 HydrophobicContact CG2-CG 4.39Å; I240-L244 WeakPolarHBondContact O-CG 3.44Å; I240-L244 PolarHBondContact O-N 3.44Å
241I95Very high93.8Very high76 Ų7642 Ų4239%0.3923%0.228SC..Hα-helixtrans-64.9-38.2177.5-63.2170.1000109.9P237 N238 L244 S245P237-I241 HydrophobicContact CG-CD1 3.96Å; N238-I241 HydrophobicContact CB-CD1 4.41Å; N238-I241 PolarHBondContact O-N 2.97Å; I241-L244 PolarHBondContact O-N 3.26Å; I241-S245 VanDerWaalsContact O-CB 3.3Å; I241-S245 WeakPolarHBondContact O-CB 3.35Å; I241-S245 PolarHBondContact O-N 3.2Å; I241-S245 PolarHBondContact O-OG 3.32Å
242Y94Very high93.7Very high9 Ų939.2 Ų39.24%0.03521%0.214CC..Hα-helixtrans-56.4-52.1172.4169.5-101000111.5F68 V174 F178 T233 S236 N238 Y239 I240 L244 S245 R246 W302F68-Y242 HydrophobicContact CE1-CE2 4.43Å; F68-Y242 WeakPolarHBondContact CE1-OH 3.3Å; V174-Y242 HydrophobicContact CG1-CD1 4.03Å; V174-Y242 HydrophobicContact CG1-CE1 3.72Å; V174-Y242 HydrophobicContact CG1-CE2 4.39Å; V174-Y242 HydrophobicContact CG1-CG 4.49Å; V174-Y242 HydrophobicContact CG2-CE2 4.03Å; F178-Y242 HydrophobicContact CE2-CG 4.47Å; T233-Y242 HydrophobicContact CG2-CD2 3.82Å; T233-Y242 HydrophobicContact CG2-CE2 3.75Å; S236-Y242 WeakPolarHBondContact OG-CB 3.19Å; N238-Y242 PolarHBondContact O-N 2.95Å; Y239-Y242 HydrophobicContact CD2-CD1 4.1Å; Y239-Y242 AromaticContact CE2-CD1 3.89Å; Y239-Y242 HydrophobicContact CE2-CD1 3.89Å; Y239-Y242 HydrophobicContact CE2-CE1 4.17Å; Y239-Y242 WeakPolarHBondContact O-CB 3.41Å; Y239-Y242 PolarHBondContact O-N 3.32Å; I240-Y242 VanDerWaalsContact C-N 3.28Å; I240-Y242 PolarHBondContact O-N 2.96Å; Y242-L244 PolarHBondContact O-N 3.03Å; Y242-S245 PolarHBondContact O-OG 3.37Å; Y242-R246 HydrophobicContact CD2-CG 4.17Å; Y242-R246 HydrophobicContact CE1-CG 4.32Å; Y242-R246 HydrophobicContact CE2-CG 3.79Å; Y242-R246 WeakPolarHBondContact O-CB 3.12Å; Y242-R246 WeakPolarHBondContact O-CG 3.44Å; Y242-R246 PolarHBondContact O-N 3.34Å; Y242-W302 AromaticContact CD2-CH2 3.93Å; Y242-W302 HydrophobicContact CD2-CH2 3.93Å; Y242-W302 AromaticContact CD2-CZ3 3.99Å; Y242-W302 HydrophobicContact CD2-CZ3 3.99Å; Y242-W302 HydrophobicContact CE2-CE3 4.45Å; Y242-W302 HydrophobicContact CE2-CH2 4.22Å; Y242-W302 AromaticContact CE2-CZ3 3.86Å; Y242-W302 HydrophobicContact CE2-CZ3 3.86Å
243I93.8Very high93.6Very high11 Ų1136.8 Ų36.86%0.05620%0.197CC..Hα-helixtrans-62.1-47.3179.3-65168000111.7I194 Y239 I240 R246 A247I194-I243 HydrophobicContact CB-CG2 3.8Å; I194-I243 HydrophobicContact CD1-CG2 3.69Å; I194-I243 HydrophobicContact CG1-CG2 4.34Å; I194-I243 HydrophobicContact CG2-CG2 3.7Å; Y239-I243 HydrophobicContact CD1-CD1 3.55Å; Y239-I243 HydrophobicContact CD1-CG1 4.08Å; Y239-I243 HydrophobicContact CE1-CD1 3.11Å; Y239-I243 HydrophobicContact CE1-CG1 3.64Å; Y239-I243 WeakPolarHBondContact O-CG1 3.48Å; Y239-I243 PolarHBondContact O-N 2.84Å; I240-I243 PolarHBondContact O-N 3.36Å; I243-R246 WeakPolarHBondContact O-CB 3.23Å; I243-R246 PolarHBondContact O-N 3.46Å; I243-A247 PolarHBondContact O-N 3.41Å
244L95.5Very high93.6Very high98 Ų9837.6 Ų37.651%0.51320%0.201SC..Hα-helixtrans-64.4-44-176.7-69.1175.8000111.7I240 I241 Y242 A247 I248I240-L244 HydrophobicContact CG2-CD1 3.98Å; I240-L244 HydrophobicContact CG2-CG 4.39Å; I240-L244 WeakPolarHBondContact O-CG 3.44Å; I240-L244 PolarHBondContact O-N 3.44Å; I241-L244 PolarHBondContact O-N 3.26Å; Y242-L244 PolarHBondContact O-N 3.03Å; L244-A247 WeakPolarHBondContact O-CB 3.35Å; L244-A247 PolarHBondContact O-N 3.24Å; L244-I248 WeakPolarHBondContact O-CG1 3.41Å; L244-I248 PolarHBondContact O-N 3.38Å; L244-I248 VanDerWaalsContact O-N 3.15Å
245S94.7Very high93.6Very high6 Ų637.4 Ų37.44%0.04220%0.2CC..Hα-helixtrans-62.7-42.717559.30000111.4T233 I241 Y242 A247 I248 V249T233-S245 WeakPolarHBondContact CA-OG 3.2Å; T233-S245 VanDerWaalsContact OG1-CB 3.28Å; T233-S245 WeakPolarHBondContact OG1-CB 3.42Å; T233-S245 PolarHBondContact OG1-OG 2.87Å; I241-S245 VanDerWaalsContact O-CB 3.3Å; I241-S245 WeakPolarHBondContact O-CB 3.35Å; I241-S245 PolarHBondContact O-N 3.2Å; I241-S245 PolarHBondContact O-OG 3.32Å; Y242-S245 PolarHBondContact O-OG 3.37Å; S245-A247 VanDerWaalsContact C-N 3.3Å; S245-A247 PolarHBondContact O-N 3.13Å; S245-I248 PolarHBondContact O-N 2.96Å; S245-V249 WeakPolarHBondContact O-CG2 3.42Å; S245-V249 PolarHBondContact O-N 2.82Å
246R92.6Very high93.5Very high8 Ų831.4 Ų31.43%0.0317%0.168CC..Hα-helixtrans-60.1-38.3174.3-76.1-75.4-66.1133.9-5.2112.7T65 Y195 T233 Y242 I243 I248 V249 A250T65-R246 PolarHBondContact O-NH2 3.15Å; Y195-R246 HydrophobicContact CD2-CB 4.46Å; Y195-R246 VanDerWaalsContact CE2-CZ 3.46Å; Y195-R246 VanDerWaalsContact CE2-NH1 3.32Å; Y195-R246 VanDerWaalsContact CE2-NH2 3.29Å; T233-R246 HydrophobicContact CG2-CG 3.71Å; T233-R246 PolarHBondContact OG1-N 3.03Å; Y242-R246 HydrophobicContact CD2-CG 4.17Å; Y242-R246 HydrophobicContact CE1-CG 4.32Å; Y242-R246 HydrophobicContact CE2-CG 3.79Å; Y242-R246 WeakPolarHBondContact O-CB 3.12Å; Y242-R246 WeakPolarHBondContact O-CG 3.44Å; Y242-R246 PolarHBondContact O-N 3.34Å; I243-R246 WeakPolarHBondContact O-CB 3.23Å; I243-R246 PolarHBondContact O-N 3.46Å; R246-I248 VanDerWaalsContact C-N 3.35Å; R246-V249 PolarHBondContact O-N 3.4Å; R246-A250 WeakPolarHBondContact O-CB 3.39Å; R246-A250 PolarHBondContact O-N 3.18Å
247A94.5Very high93.3Very high11 Ų1132.4 Ų32.49%0.09118%0.175CC..Hα-helixtrans-62.9-43.1176.700000111.4I194 I243 L244 S245 A250 I251I194-A247 HydrophobicContact CG2-CB 3.7Å; I243-A247 PolarHBondContact O-N 3.41Å; L244-A247 WeakPolarHBondContact O-CB 3.35Å; L244-A247 PolarHBondContact O-N 3.24Å; S245-A247 VanDerWaalsContact C-N 3.3Å; S245-A247 PolarHBondContact O-N 3.13Å; A247-A250 VanDerWaalsContact O-CB 3.27Å; A247-A250 WeakPolarHBondContact O-CB 3.29Å; A247-A250 PolarHBondContact O-N 3.02Å; A247-A250 VanDerWaalsContact O-N 3.16Å; A247-I251 WeakPolarHBondContact O-CG1 3.14Å; A247-I251 PolarHBondContact O-N 3.3Å
248I95.7Very high93.3Very high57 Ų5729.7 Ų29.729%0.29216%0.156SC..Hα-helixtrans-68.1-40.6177.5-62.3167.1000110.9I225 F229 L244 S245 R246 A250 I251 A252I225-I248 HydrophobicContact CG2-CG2 4.08Å; F229-I248 HydrophobicContact CB-CB 4.46Å; F229-I248 HydrophobicContact CB-CG2 4.15Å; F229-I248 HydrophobicContact CD1-CB 3.87Å; F229-I248 HydrophobicContact CD1-CD1 3.74Å; F229-I248 HydrophobicContact CD1-CG1 4.41Å; F229-I248 HydrophobicContact CD1-CG2 3.77Å; F229-I248 HydrophobicContact CD2-CB 4.41Å; F229-I248 HydrophobicContact CD2-CG2 3.44Å; F229-I248 VanDerWaalsContact CD2-CG2 3.44Å; F229-I248 HydrophobicContact CE1-CB 4.21Å; F229-I248 HydrophobicContact CE1-CD1 3.26Å; F229-I248 HydrophobicContact CE1-CG1 4.31Å; F229-I248 HydrophobicContact CE1-CG2 3.99Å; F229-I248 HydrophobicContact CE2-CG2 3.66Å; F229-I248 HydrophobicContact CG-CB 3.98Å; F229-I248 HydrophobicContact CG-CG2 3.49Å; F229-I248 VanDerWaalsContact CG-CG2 3.49Å; F229-I248 HydrophobicContact CZ-CD1 3.74Å; F229-I248 HydrophobicContact CZ-CG2 3.92Å; L244-I248 WeakPolarHBondContact O-CG1 3.41Å; L244-I248 PolarHBondContact O-N 3.38Å; L244-I248 VanDerWaalsContact O-N 3.15Å; S245-I248 PolarHBondContact O-N 2.96Å; R246-I248 VanDerWaalsContact C-N 3.35Å; I248-A250 VanDerWaalsContact C-N 3.25Å; I248-A250 PolarHBondContact O-N 3.18Å; I248-I251 PolarHBondContact O-N 3.01Å; I248-A252 WeakPolarHBondContact O-CB 3.43Å; I248-A252 PolarHBondContact O-N 3.37Å
249V93.7Very high93.3Very high1 Ų125.1 Ų25.11%0.00613%0.132CC..Hα-helixtrans-57.5-40.5170.4172.50000110.7T65 E226 F229 S245 R246 A252 N253T65-V249 HydrophobicContact CG2-CG1 4.2Å; E226-V249 HydrophobicContact CG-CG1 4.25Å; F229-V249 HydrophobicContact CB-CG2 3.69Å; S245-V249 WeakPolarHBondContact O-CG2 3.42Å; S245-V249 PolarHBondContact O-N 2.82Å; R246-V249 PolarHBondContact O-N 3.4Å; V249-A252 PolarHBondContact O-N 2.89Å; V249-N253 WeakPolarHBondContact O-CB 3.36Å; V249-N253 PolarHBondContact O-N 2.93Å
250A94.3Very high93.2Very high0 Ų024.2 Ų24.20%013%0.128CC..Hα-helixtrans-62.9-46.2177.500000112.3Y195 M199 R246 A247 I248 A252 I254Y195-A250 HydrophobicContact CD2-CB 3.53Å; Y195-A250 HydrophobicContact CE2-CB 3.34Å; Y195-A250 HydrophobicContact CG-CB 4.19Å; M199-A250 HydrophobicContact CG-CB 4.01Å; R246-A250 WeakPolarHBondContact O-CB 3.39Å; R246-A250 PolarHBondContact O-N 3.18Å; A247-A250 VanDerWaalsContact O-CB 3.27Å; A247-A250 WeakPolarHBondContact O-CB 3.29Å; A247-A250 PolarHBondContact O-N 3.02Å; A247-A250 VanDerWaalsContact O-N 3.16Å; I248-A250 VanDerWaalsContact C-N 3.25Å; I248-A250 PolarHBondContact O-N 3.18Å; A250-A252 VanDerWaalsContact C-N 3.34Å; A250-A252 PolarHBondContact O-N 3.21Å; A250-I254 WeakPolarHBondContact O-CB 3.37Å; A250-I254 WeakPolarHBondContact O-CG1 3.4Å; A250-I254 PolarHBondContact O-N 2.88Å
251I95Very high93Very high45 Ų4521.4 Ų21.423%0.23112%0.115CC..Hα-helixtrans-57.9-50.2176.6-65.2165000109.7G198 I201 G202 A247 I248 G255G198-I251 WeakPolarHBondContact O-CA 3.41Å; G198-I251 WeakPolarHBondContact O-CG1 3.39Å; I201-I251 HydrophobicContact CB-CD1 4.5Å; I201-I251 HydrophobicContact CB-CG1 4.21Å; I201-I251 HydrophobicContact CG2-CD1 4.24Å; I201-I251 HydrophobicContact CG2-CG1 4.24Å; I201-I251 HydrophobicContact CG2-CG2 4.31Å; G202-I251 WeakPolarHBondContact CA-O 3.41Å; A247-I251 WeakPolarHBondContact O-CG1 3.14Å; A247-I251 PolarHBondContact O-N 3.3Å; I248-I251 PolarHBondContact O-N 3.01Å; I251-G255 PolarHBondContact O-N 3.44Å
252A93.3Very high92.8Very high1 Ų120.4 Ų20.41%0.00811%0.112CC..Hα-helixtrans-67.4-45.7-176.600000112.4I225 E226 I248 V249 A250 K256I225-A252 HydrophobicContact CB-CB 4.27Å; I225-A252 HydrophobicContact CG2-CB 3.91Å; E226-A252 HydrophobicContact CB-CB 3.78Å; I248-A252 WeakPolarHBondContact O-CB 3.43Å; I248-A252 PolarHBondContact O-N 3.37Å; V249-A252 PolarHBondContact O-N 2.89Å; A250-A252 VanDerWaalsContact C-N 3.34Å; A250-A252 PolarHBondContact O-N 3.21Å; A252-K256 WeakPolarHBondContact O-CB 3.42Å; A252-K256 PolarHBondContact O-N 3.31Å
253N91.8Very high92.5Very high5 Ų521.4 Ų21.43%0.02712%0.118CC..Hα-helixtrans-63.1-50.4179.7178.4-98.2000111.7P63 T65 E226 V249 K256 V257P63-N253 PolarHBondContact O-ND2 3.36Å; T65-N253 HydrophobicContact CG2-CB 4.21Å; T65-N253 PolarHBondContact OG1-OD1 2.88Å; E226-N253 HydrophobicContact CG-CB 4.34Å; E226-N253 WeakPolarHBondContact OE1-CB 3.47Å; E226-N253 PolarHBondContact OE1-ND2 3.15Å; V249-N253 WeakPolarHBondContact O-CB 3.36Å; V249-N253 PolarHBondContact O-N 2.93Å; N253-K256 PolarHBondContact O-N 3.33Å; N253-V257 WeakPolarHBondContact O-CB 3.38Å; N253-V257 VanDerWaalsContact O-CG2 3.26Å; N253-V257 WeakPolarHBondContact O-CG2 3.25Å; N253-V257 PolarHBondContact O-N 3.35Å
254I92.8Very high92.2Very high16 Ų1621 Ų218%0.08212%0.115CC..Hα-helixtrans-69.7-37.8-179.8-64.3-55.3000111.7M199 F203 A250 K256 V257 T258M199-I254 HydrophobicContact CB-CG1 3.93Å; M199-I254 HydrophobicContact CE-CD1 3.78Å; M199-I254 HydrophobicContact CE-CG1 3.99Å; M199-I254 HydrophobicContact CG-CD1 4.48Å; M199-I254 HydrophobicContact CG-CG1 3.72Å; F203-I254 HydrophobicContact CB-CG2 4.39Å; F203-I254 HydrophobicContact CD1-CG2 3.42Å; F203-I254 VanDerWaalsContact CD1-CG2 3.42Å; F203-I254 HydrophobicContact CD2-CG2 3.62Å; F203-I254 HydrophobicContact CE1-CG2 3.4Å; F203-I254 HydrophobicContact CE2-CG2 3.6Å; F203-I254 HydrophobicContact CG-CG2 3.52Å; F203-I254 HydrophobicContact CZ-CG2 3.49Å; F203-I254 VanDerWaalsContact CZ-CG2 3.49Å; A250-I254 WeakPolarHBondContact O-CB 3.37Å; A250-I254 WeakPolarHBondContact O-CG1 3.4Å; A250-I254 PolarHBondContact O-N 2.88Å; I254-K256 VanDerWaalsContact C-N 3.34Å; I254-K256 PolarHBondContact O-N 3Å; I254-V257 PolarHBondContact O-N 3.5Å; I254-T258 WeakPolarHBondContact O-CB 3.34Å; I254-T258 PolarHBondContact O-N 3.33Å; I254-T258 PolarHBondContact O-OG1 3.44Å
255G92.9Very high91.8Very high0 Ų019.7 Ų19.70%011%0.108CC..Hα-helixtrans-58.3-48172.200000111.4G202 I251 T258 V259G202-G255 WeakPolarHBondContact O-CA 3.05Å; I251-G255 PolarHBondContact O-N 3.44Å; G255-T258 PolarHBondContact O-N 3.49Å; G255-V259 WeakPolarHBondContact O-CG2 3.41Å; G255-V259 PolarHBondContact O-N 2.86Å; G255-V259 VanDerWaalsContact O-N 3.11Å
256K90.9Very high91.4Very high0 Ų023.4 Ų23.40%012%0.124CC..Hα-helixtrans-59.8-51.3177.6-175.1-171.978.2-176.60111.2S61 L222 A223 E226 A252 N253 I254 T258 V259 L260 N313S61-K256 PolarHBondContact O-NZ 3.15Å; L222-K256 HydrophobicContact CB-CB 4.04Å; A223-K256 HydrophobicContact CB-CD 3.92Å; E226-K256 IonicContact OE1-NZ 2.67Å; E226-K256 VanDerWaalsContact OE2-CE 3.31Å; E226-K256 WeakPolarHBondContact OE2-CE 3.42Å; E226-K256 IonicContact OE2-NZ 3.12Å; E226-K256 PolarHBondContact OE2-NZ 3.06Å; A252-K256 WeakPolarHBondContact O-CB 3.42Å; A252-K256 PolarHBondContact O-N 3.31Å; N253-K256 PolarHBondContact O-N 3.33Å; I254-K256 VanDerWaalsContact C-N 3.34Å; I254-K256 PolarHBondContact O-N 3Å; K256-T258 VanDerWaalsContact C-N 3.27Å; K256-T258 PolarHBondContact O-N 3Å; K256-V259 PolarHBondContact O-N 3.32Å; K256-L260 HydrophobicContact CD-CD1 4.22Å; K256-L260 HydrophobicContact CG-CD1 3.71Å; K256-L260 HydrophobicContact CG-CG 4.22Å; K256-L260 WeakPolarHBondContact O-CB 3.49Å; K256-L260 VanDerWaalsContact O-CG 3.28Å; K256-L260 WeakPolarHBondContact O-CG 3.37Å; K256-L260 PolarHBondContact O-N 3.22Å; K256-N313 PolarHBondContact NZ-OD1 3.08Å
257V90.4Very high90.9Very high23 Ų2325 Ų2514%0.13913%0.133CC..Hα-helixtrans-58.3-40.5179.4169.50000111.2S62 N253 I254 N261S62-V257 VanDerWaalsContact CB-CG2 3.47Å; N253-V257 WeakPolarHBondContact O-CB 3.38Å; N253-V257 VanDerWaalsContact O-CG2 3.26Å; N253-V257 WeakPolarHBondContact O-CG2 3.25Å; N253-V257 PolarHBondContact O-N 3.35Å; I254-V257 PolarHBondContact O-N 3.5Å; V257-N261 VanDerWaalsContact CG1-ND2 3.3Å; V257-N261 WeakPolarHBondContact CG1-ND2 3.5Å; V257-N261 VanDerWaalsContact O-CB 3.3Å; V257-N261 WeakPolarHBondContact O-CB 3.5Å; V257-N261 PolarHBondContact O-N 2.84Å; V257-N261 PolarHBondContact O-ND2 3.2Å; V257-N261 VanDerWaalsContact O-ND2 3.14Å
258T91.3Very high90.3Very high28 Ų2824.7 Ų24.717%0.17213%0.13CC..Hα-helixtrans-62.1-49.6178.1-570000111.3F203 I254 G255 K256 V262F203-T258 WeakPolarHBondContact CD1-OG1 3.28Å; I254-T258 WeakPolarHBondContact O-CB 3.34Å; I254-T258 PolarHBondContact O-N 3.33Å; I254-T258 PolarHBondContact O-OG1 3.44Å; G255-T258 PolarHBondContact O-N 3.49Å; K256-T258 VanDerWaalsContact C-N 3.27Å; K256-T258 PolarHBondContact O-N 3Å; T258-V262 WeakPolarHBondContact O-CG2 3.5Å; T258-V262 PolarHBondContact O-N 3.15Å
259V92Very high89.6Confident2 Ų222.5 Ų22.51%0.01212%0.119CC..Hα-helixtrans-65.2-42.9179.6-179.30000111.6G206 R215 S219 L222 G255 K256 V262 L263G206-V259 WeakPolarHBondContact O-CG2 3.48Å; R215-V259 HydrophobicContact CB-CG1 3.77Å; R215-V259 HydrophobicContact CG-CG1 4.23Å; R215-V259 VanDerWaalsContact O-CG1 3.28Å; R215-V259 WeakPolarHBondContact O-CG1 3.3Å; S219-V259 VanDerWaalsContact OG-CG1 3.26Å; S219-V259 WeakPolarHBondContact OG-CG1 3.16Å; L222-V259 HydrophobicContact CD1-CG2 4.49Å; G255-V259 WeakPolarHBondContact O-CG2 3.41Å; G255-V259 PolarHBondContact O-N 2.86Å; G255-V259 VanDerWaalsContact O-N 3.11Å; K256-V259 PolarHBondContact O-N 3.32Å; V259-V262 PolarHBondContact O-N 3.4Å; V259-L263 WeakPolarHBondContact O-CB 3.44Å; V259-L263 PolarHBondContact O-N 3.04Å
260L89.8Confident89Confident0 Ų024.5 Ų24.50%014%0.135CC..Hα-helixtrans-67.8-39.4-178.9-70.8179.7000112.6V58 S219 K256 V262 L263 V264 F320V58-L260 HydrophobicContact CG1-CB 3.67Å; V58-L260 HydrophobicContact CG1-CD1 4.02Å; V58-L260 HydrophobicContact CG1-CG 4.38Å; V58-L260 HydrophobicContact CG2-CB 4.46Å; V58-L260 HydrophobicContact CG2-CD1 4.38Å; V58-L260 HydrophobicContact CG2-CD2 4.19Å; S219-L260 WeakPolarHBondContact OG-CD2 3.29Å; K256-L260 HydrophobicContact CD-CD1 4.22Å; K256-L260 HydrophobicContact CG-CD1 3.71Å; K256-L260 HydrophobicContact CG-CG 4.22Å; K256-L260 WeakPolarHBondContact O-CB 3.49Å; K256-L260 VanDerWaalsContact O-CG 3.28Å; K256-L260 WeakPolarHBondContact O-CG 3.37Å; K256-L260 PolarHBondContact O-N 3.22Å; L260-V262 VanDerWaalsContact C-N 3.33Å; L260-V262 PolarHBondContact O-N 3.02Å; L260-L263 HydrophobicContact CD2-CD2 4.45Å; L260-L263 WeakPolarHBondContact O-CB 3.45Å; L260-L263 PolarHBondContact O-N 3.33Å; L260-V264 WeakPolarHBondContact O-CG2 3.39Å; L260-V264 PolarHBondContact O-N 3.26Å; L260-F320 HydrophobicContact CD2-CE2 3.69Å; L260-F320 HydrophobicContact CD2-CZ 3.45Å; L260-F320 VanDerWaalsContact CD2-CZ 3.45Å
261N89.5Confident88.4Confident52 Ų5231.9 Ų31.928%0.27817%0.167SC..Hα-helixtrans-62.6-42176-77.7-29.4000111.3V257 V264 M265 M280V257-N261 VanDerWaalsContact CG1-ND2 3.3Å; V257-N261 WeakPolarHBondContact CG1-ND2 3.5Å; V257-N261 VanDerWaalsContact O-CB 3.3Å; V257-N261 WeakPolarHBondContact O-CB 3.5Å; V257-N261 PolarHBondContact O-N 2.84Å; V257-N261 PolarHBondContact O-ND2 3.2Å; V257-N261 VanDerWaalsContact O-ND2 3.14Å; N261-V264 PolarHBondContact O-N 3.41Å; N261-M265 WeakPolarHBondContact O-CG 3.47Å; N261-M265 PolarHBondContact O-N 2.96Å; N261-M265 VanDerWaalsContact O-N 3.12Å; N261-M280 VanDerWaalsContact OD1-CE 3.28Å; N261-M280 WeakPolarHBondContact OD1-CE 3.29Å
262V90.3Very high87.8Confident55 Ų5533.1 Ų33.133%0.33317%0.169SC..Hα-helixtrans-65.1-42.3175.9-179.20000110.8T258 V259 L260 V264 M265 E266T258-V262 WeakPolarHBondContact O-CG2 3.5Å; T258-V262 PolarHBondContact O-N 3.15Å; V259-V262 PolarHBondContact O-N 3.4Å; L260-V262 VanDerWaalsContact C-N 3.33Å; L260-V262 PolarHBondContact O-N 3.02Å; V262-V264 PolarHBondContact O-N 2.89Å; V262-M265 PolarHBondContact O-N 3.1Å; V262-M265 VanDerWaalsContact O-N 3.12Å; V262-E266 HydrophobicContact CG1-CG 4.35Å; V262-E266 WeakPolarHBondContact O-CG 3.35Å; V262-E266 PolarHBondContact O-N 3.48Å
263L87.8Confident87.4Confident31 Ų3136.8 Ų36.816%0.16218%0.183CC..Hα-helixtrans-58.1-44.8177.1-177.965.9000112.2R215 V259 L260 M265 E266 M267 F320R215-L263 HydrophobicContact CB-CD1 4.3Å; V259-L263 WeakPolarHBondContact O-CB 3.44Å; V259-L263 PolarHBondContact O-N 3.04Å; L260-L263 HydrophobicContact CD2-CD2 4.45Å; L260-L263 WeakPolarHBondContact O-CB 3.45Å; L260-L263 PolarHBondContact O-N 3.33Å; L263-M265 VanDerWaalsContact C-N 3.31Å; L263-M265 PolarHBondContact O-N 3.41Å; L263-E266 PolarHBondContact O-N 2.89Å; L263-M267 HydrophobicContact CG-CE 4.03Å; L263-M267 WeakPolarHBondContact O-CG 3.38Å; L263-M267 PolarHBondContact O-N 2.83Å; L263-M267 VanDerWaalsContact O-N 3.09Å; L263-F320 HydrophobicContact CD2-CE1 4.24Å; L263-F320 HydrophobicContact CD2-CZ 4.35Å
264V86.9Confident87.2Confident1 Ų141 Ų411%0.00621%0.213CC..Hα-helixtrans-63.5-38.8176.8174.50000111.3A55 V58 L260 N261 V262 M267 T268 I276 M280A55-V264 HydrophobicContact CB-CG1 4.06Å; V58-V264 HydrophobicContact CB-CG2 4.41Å; V58-V264 HydrophobicContact CG1-CG2 4.32Å; V58-V264 HydrophobicContact CG2-CG2 4.25Å; L260-V264 WeakPolarHBondContact O-CG2 3.39Å; L260-V264 PolarHBondContact O-N 3.26Å; N261-V264 PolarHBondContact O-N 3.41Å; V262-V264 PolarHBondContact O-N 2.89Å; V264-M267 HydrophobicContact CG2-CE 4.31Å; V264-M267 PolarHBondContact O-N 3.25Å; V264-T268 WeakPolarHBondContact O-CB 3.47Å; V264-T268 PolarHBondContact O-N 2.94Å; V264-T268 PolarHBondContact O-OG1 3.21Å; V264-I276 HydrophobicContact CG1-CG2 3.66Å; V264-M280 HydrophobicContact CB-CE 4.38Å; V264-M280 HydrophobicContact CB-SD 4.01Å; V264-M280 HydrophobicContact CG1-SD 3.64Å; V264-M280 HydrophobicContact CG2-CE 3.99Å; V264-M280 HydrophobicContact CG2-SD 4.17Å
265M86.9Confident86.9Confident71 Ų7147.8 Ų47.835%0.3524%0.239SC..Hα-helixtrans-69.5-33.1178.9-67.6-69.8-79.700112.9N261 V262 L263 T268 R273N261-M265 WeakPolarHBondContact O-CG 3.47Å; N261-M265 PolarHBondContact O-N 2.96Å; N261-M265 VanDerWaalsContact O-N 3.12Å; V262-M265 PolarHBondContact O-N 3.1Å; V262-M265 VanDerWaalsContact O-N 3.12Å; L263-M265 VanDerWaalsContact C-N 3.31Å; L263-M265 PolarHBondContact O-N 3.41Å; M265-T268 PolarHBondContact O-N 3.06Å; M265-T268 VanDerWaalsContact O-O 3.05Å; M265-R273 HydrophobicContact CE-CB 3.61Å; M265-R273 HydrophobicContact CE-CG 3.9Å; M265-R273 PolarHBondContact O-NE 3.34Å; M265-R273 VanDerWaalsContact O-NE 3.08Å; M265-R273 HydrophobicContact SD-CB 3.95Å; M265-R273 HydrophobicContact SD-CG 4.03Å
266E86.5Confident86.6Confident84 Ų8447.9 Ų47.939%0.39324%0.239SC..Hα-helixtrans-69.2-36.9173.1-74.7179167.800112.4R215 V262 L263 T268R215-E266 VanDerWaalsContact CD-OE2 3.25Å; R215-E266 WeakPolarHBondContact CD-OE2 3.31Å; R215-E266 IonicContact CZ-OE1 3.21Å; R215-E266 IonicContact CZ-OE2 2.66Å; R215-E266 IonicContact NE-OE1 2.82Å; R215-E266 PolarHBondContact NE-OE1 3.17Å; R215-E266 IonicContact NE-OE2 3.96Å; R215-E266 PolarHBondContact NE-OE2 3.01Å; R215-E266 IonicContact NH2-OE1 3.85Å; R215-E266 PolarHBondContact NH2-OE1 3.47Å; V262-E266 HydrophobicContact CG1-CG 4.35Å; V262-E266 WeakPolarHBondContact O-CG 3.35Å; V262-E266 PolarHBondContact O-N 3.48Å; L263-E266 PolarHBondContact O-N 2.89Å; E266-T268 PolarHBondContact O-N 3.14Å
267M82.1Confident86.4Confident43 Ų4349.1 Ų49.121%0.21225%0.252CS..SBendtrans-74.3-10.6175.9-67.1-174.8-60.600113.1W50 Q51 L263 V264W50-M267 HydrophobicContact CH2-SD 3.96Å; W50-M267 HydrophobicContact CZ3-SD 3.91Å; Q51-M267 PolarHBondContact NE2-O 3.17Å; L263-M267 HydrophobicContact CG-CE 4.03Å; L263-M267 WeakPolarHBondContact O-CG 3.38Å; L263-M267 PolarHBondContact O-N 2.83Å; L263-M267 VanDerWaalsContact O-N 3.09Å; V264-M267 HydrophobicContact CG2-CE 4.31Å; V264-M267 PolarHBondContact O-N 3.25Å
268T83.1Confident86.3Confident4 Ų450.4 Ų50.43%0.02527%0.265CS..SBendtrans-109.2138.4-174.1-55.20000111.6V264 M265 E266 R273 I276V264-T268 WeakPolarHBondContact O-CB 3.47Å; V264-T268 PolarHBondContact O-N 2.94Å; V264-T268 PolarHBondContact O-OG1 3.21Å; M265-T268 PolarHBondContact O-N 3.06Å; M265-T268 VanDerWaalsContact O-O 3.05Å; E266-T268 PolarHBondContact O-N 3.14Å; T268-R273 HydrophobicContact CG2-CG 4.02Å; T268-R273 PolarHBondContact O-NE 3.19Å; T268-R273 PolarHBondContact O-NH2 3.02Å; T268-I276 HydrophobicContact CG2-CD1 3.53Å; T268-I276 HydrophobicContact CG2-CG1 4.19Å
269I80.3Confident86.2Confident11 Ų1152 Ų526%0.05628%0.275CS..  trans-67.6142.7175.1-53-159.2000111D37 E41 A46 K271 Y272 R273D37-I269 HydrophobicContact CB-CG2 3.99Å; E41-I269 HydrophobicContact CB-CD1 3.57Å; E41-I269 HydrophobicContact CG-CD1 4.29Å; E41-I269 VanDerWaalsContact N-CD1 3.34Å; A46-I269 VanDerWaalsContact CA-CD1 3.46Å; A46-I269 HydrophobicContact CB-CD1 3.98Å; I269-K271 PolarHBondContact O-N 3.49Å; I269-Y272 PolarHBondContact O-N 3.02Å; I269-R273 WeakPolarHBondContact O-CG 3.32Å; I269-R273 PolarHBondContact O-N 3.4Å; I269-R273 VanDerWaalsContact O-N 3.13Å
270A80.3Confident85.9Confident43 Ų4352.4 Ų52.436%0.35528%0.277SS..Hα-helixtrans-45.4-39.4-177.900000114.8D37 Y272 R273D37-A270 PolarHBondContact OD1-N 3.12Å; D37-A270 WeakPolarHBondContact OD2-CB 3.45Å; A270-Y272 VanDerWaalsContact C-N 3.32Å; A270-Y272 PolarHBondContact O-N 3.39Å; A270-R273 PolarHBondContact O-N 3.45Å
271K81.7Confident85.8Confident154 Ų15454.5 Ų54.567%0.6729%0.294SS*.Hα-helixtrans-60.6-35.7178.7-173.4178.7177.8-175.40113.9I269I269-K271 PolarHBondContact O-N 3.49Å
272Y82.7Confident85.8Confident71 Ų7157.6 Ų57.628%0.27831%0.31SS..Hα-helixtrans-101.8-10-175.8-66.2-75.3000113.8A46 C47 I269 A270 S274 Y275 I276A46-Y272 HydrophobicContact CB-CD2 4.32Å; A46-Y272 HydrophobicContact CB-CE2 3.84Å; A46-Y272 VanDerWaalsContact O-CD2 3.31Å; A46-Y272 WeakPolarHBondContact O-CD2 3.19Å; C47-Y272 HydrophobicContact CB-CD2 4.4Å; C47-Y272 HydrophobicContact CB-CE2 4.47Å; I269-Y272 PolarHBondContact O-N 3.02Å; A270-Y272 VanDerWaalsContact C-N 3.32Å; A270-Y272 PolarHBondContact O-N 3.39Å; Y272-S274 VanDerWaalsContact C-N 3.31Å; Y272-S274 PolarHBondContact O-N 3.24Å; Y272-Y275 HydrophobicContact CD1-CD2 4.35Å; Y272-Y275 PolarHBondContact O-N 2.92Å; Y272-Y275 VanDerWaalsContact O-N 3.09Å; Y272-I276 PolarHBondContact O-N 2.89Å
273R86.2Confident85.6Confident78 Ų7855.2 Ų55.229%0.29430%0.297SS..Hα-helixtrans-51.3-46179.1-81.4-176.9-164.5144.712.7113.3D37 M265 T268 I269 A270 Y275 G277D37-R273 IonicContact OD1-NH2 2.68Å; M265-R273 HydrophobicContact CE-CB 3.61Å; M265-R273 HydrophobicContact CE-CG 3.9Å; M265-R273 PolarHBondContact O-NE 3.34Å; M265-R273 VanDerWaalsContact O-NE 3.08Å; M265-R273 HydrophobicContact SD-CB 3.95Å; M265-R273 HydrophobicContact SD-CG 4.03Å; T268-R273 HydrophobicContact CG2-CG 4.02Å; T268-R273 PolarHBondContact O-NE 3.19Å; T268-R273 PolarHBondContact O-NH2 3.02Å; I269-R273 WeakPolarHBondContact O-CG 3.32Å; I269-R273 PolarHBondContact O-N 3.4Å; I269-R273 VanDerWaalsContact O-N 3.13Å; A270-R273 PolarHBondContact O-N 3.45Å; R273-Y275 PolarHBondContact O-N 3.3Å; R273-G277 PolarHBondContact O-N 3.47Å
274S86.9Confident85.5Confident94 Ų9455.1 Ų55.166%0.65729%0.294SS*.Hα-helixtrans-64-41.7179.6-172.40000112.3Y272 A278Y272-S274 VanDerWaalsContact C-N 3.31Å; Y272-S274 PolarHBondContact O-N 3.24Å; S274-A278 VanDerWaalsContact O-CB 3.3Å; S274-A278 WeakPolarHBondContact O-CB 3.36Å; S274-A278 PolarHBondContact O-N 3Å
275Y87.2Confident85.5Confident159 Ų15959.1 Ų59.162%0.62432%0.316SS*.Hα-helixtrans-66.4-47178.3-66.7-77.2000112.2Y272 R273 A278 V279Y272-Y275 HydrophobicContact CD1-CD2 4.35Å; Y272-Y275 PolarHBondContact O-N 2.92Å; Y272-Y275 VanDerWaalsContact O-N 3.09Å; R273-Y275 PolarHBondContact O-N 3.3Å; Y275-A278 PolarHBondContact O-N 3.4Å; Y275-V279 WeakPolarHBondContact O-CG2 3.12Å; Y275-V279 PolarHBondContact O-N 2.91Å
276I86Confident85.6Confident1 Ų163.1 Ų63.11%0.00533%0.331CS..Hα-helixtrans-64.8-43.8178.5-63.4-167.7000110.3W52 A55 V264 T268 Y272 A278 V279 M280W52-I276 HydrophobicContact CH2-CG1 4.1Å; W52-I276 HydrophobicContact CZ2-CG1 4.17Å; W52-I276 HydrophobicContact CZ3-CG1 4.5Å; A55-I276 HydrophobicContact CB-CG2 4.06Å; V264-I276 HydrophobicContact CG1-CG2 3.66Å; T268-I276 HydrophobicContact CG2-CD1 3.53Å; T268-I276 HydrophobicContact CG2-CG1 4.19Å; Y272-I276 PolarHBondContact O-N 2.89Å; I276-A278 VanDerWaalsContact C-N 3.33Å; I276-A278 PolarHBondContact O-N 3.07Å; I276-V279 PolarHBondContact O-N 3.3Å; I276-M280 HydrophobicContact CG2-CG 4.36Å; I276-M280 HydrophobicContact CG2-SD 4.17Å; I276-M280 WeakPolarHBondContact O-CG 3.33Å; I276-M280 PolarHBondContact O-N 3.32Å
277G86.6Confident85.7Confident27 Ų2762.3 Ų62.328%0.27833%0.329SS..Hα-helixtrans-58.4-42.6174.700000112.7R273 M280 A281R273-G277 PolarHBondContact O-N 3.47Å; G277-M280 PolarHBondContact O-N 2.72Å; G277-A281 WeakPolarHBondContact O-CB 3.48Å; G277-A281 PolarHBondContact O-N 3.45Å
278A88.8Confident86Confident50 Ų5061 Ų6141%0.41332%0.323SS..Hα-helixtrans-64-43.917600000112.2S274 Y275 I276 A281 L282S274-A278 VanDerWaalsContact O-CB 3.3Å; S274-A278 WeakPolarHBondContact O-CB 3.36Å; S274-A278 PolarHBondContact O-N 3Å; Y275-A278 PolarHBondContact O-N 3.4Å; I276-A278 VanDerWaalsContact C-N 3.33Å; I276-A278 PolarHBondContact O-N 3.07Å; A278-A281 PolarHBondContact O-N 2.75Å; A278-L282 WeakPolarHBondContact O-CB 3.45Å; A278-L282 WeakPolarHBondContact O-CG 3.33Å; A278-L282 PolarHBondContact O-N 3.43Å
279V87.8Confident86.2Confident62 Ų6266 Ų6638%0.37634%0.341SS..Hα-helixtrans-64.5-42.8176.9173.70000111.3W52 Y275 I276 A281 L282 G283W52-V279 HydrophobicContact CH2-CB 4.37Å; W52-V279 HydrophobicContact CH2-CG2 3.96Å; W52-V279 HydrophobicContact CZ3-CB 4.02Å; W52-V279 HydrophobicContact CZ3-CG1 3.9Å; W52-V279 HydrophobicContact CZ3-CG2 4.04Å; Y275-V279 WeakPolarHBondContact O-CG2 3.12Å; Y275-V279 PolarHBondContact O-N 2.91Å; I276-V279 PolarHBondContact O-N 3.3Å; V279-A281 VanDerWaalsContact C-N 3.35Å; V279-A281 PolarHBondContact O-N 3.03Å; V279-L282 PolarHBondContact O-N 2.02Å; V279-G283 PolarHBondContact O-N 3.29Å
280M86.8Confident86.6Confident9 Ų968.8 Ų68.84%0.04436%0.362CS..Hα-helixtrans-61.6-43.8174.8-70.6-17781.600111.4A55 V58 N261 V264 I276 G277 G283 Y284A55-M280 HydrophobicContact CB-CG 4.42Å; A55-M280 HydrophobicContact CB-SD 4.39Å; V58-M280 HydrophobicContact CB-CE 4.25Å; V58-M280 HydrophobicContact CG1-CE 3.48Å; V58-M280 VanDerWaalsContact CG1-CE 3.48Å; N261-M280 VanDerWaalsContact OD1-CE 3.28Å; N261-M280 WeakPolarHBondContact OD1-CE 3.29Å; V264-M280 HydrophobicContact CB-CE 4.38Å; V264-M280 HydrophobicContact CB-SD 4.01Å; V264-M280 HydrophobicContact CG1-SD 3.64Å; V264-M280 HydrophobicContact CG2-CE 3.99Å; V264-M280 HydrophobicContact CG2-SD 4.17Å; I276-M280 HydrophobicContact CG2-CG 4.36Å; I276-M280 HydrophobicContact CG2-SD 4.17Å; I276-M280 WeakPolarHBondContact O-CG 3.33Å; I276-M280 PolarHBondContact O-N 3.32Å; G277-M280 PolarHBondContact O-N 2.72Å; M280-G283 WeakPolarHBondContact O-CA 3.1Å; M280-G283 PolarHBondContact O-N 3.44Å; M280-Y284 HydrophobicContact CB-CD2 4.38Å; M280-Y284 HydrophobicContact CB-CE2 4.1Å; M280-Y284 HydrophobicContact CE-CE2 4.02Å; M280-Y284 WeakPolarHBondContact O-CD2 3.31Å; M280-Y284 PolarHBondContact O-N 3.44Å
281A87.5Confident87.1Confident44 Ų4469.4 Ų69.436%0.36436%0.359SS..Hα-helixtrans-63-43.1177.900000112.3G277 A278 V279 G283 Y284 N285G277-A281 WeakPolarHBondContact O-CB 3.48Å; G277-A281 PolarHBondContact O-N 3.45Å; A278-A281 PolarHBondContact O-N 2.75Å; V279-A281 VanDerWaalsContact C-N 3.35Å; V279-A281 PolarHBondContact O-N 3.03Å; A281-G283 VanDerWaalsContact C-N 3.32Å; A281-Y284 PolarHBondContact O-N 3.3Å; A281-N285 VanDerWaalsContact O-CB 3.31Å; A281-N285 WeakPolarHBondContact O-CB 3.18Å; A281-N285 PolarHBondContact O-N 2.99Å; A281-N285 PolarHBondContact O-ND2 2.86Å
282L88.7Confident87.4Confident117 Ų11762.2 Ų62.261%0.61333%0.328SS*.Hα-helixtrans-62.8-41.1172.8-72.7172.6000111.1A278 V279 F286 L287A278-L282 WeakPolarHBondContact O-CB 3.45Å; A278-L282 WeakPolarHBondContact O-CG 3.33Å; A278-L282 PolarHBondContact O-N 3.43Å; V279-L282 PolarHBondContact O-N 2.02Å; L282-F286 WeakPolarHBondContact O-CA 3.31Å; L282-F286 WeakPolarHBondContact O-CB 3.27Å; L282-F286 PolarHBondContact O-N 3.21Å; L282-L287 PolarHBondContact O-N 3.27Å
283G87.5Confident87.7Confident5 Ų561.7 Ų61.75%0.05233%0.334CS..Iπ-helixtrans-55.1-56.6172.900000113.7M59 V279 M280 A281 L287 L288M59-G283 WeakPolarHBondContact SD-CA 3.34Å; V279-G283 PolarHBondContact O-N 3.29Å; M280-G283 WeakPolarHBondContact O-CA 3.1Å; M280-G283 PolarHBondContact O-N 3.44Å; A281-G283 VanDerWaalsContact C-N 3.32Å; G283-L287 WeakPolarHBondContact O-CB 3.27Å; G283-L287 PolarHBondContact O-N 2.03Å; G283-L288 WeakPolarHBondContact O-CG 3.31Å; G283-L288 PolarHBondContact O-N 3.13Å
284Y85.3Confident87.9Confident29 Ų2962.6 Ų62.611%0.11435%0.345CS..Iπ-helixtrans-65.2-43.5-178.6-67.9-53.8000113.1V58 M59 M280 A281 L288V58-Y284 VanDerWaalsContact CG1-OH 3.26Å; V58-Y284 WeakPolarHBondContact CG1-OH 3.28Å; V58-Y284 PolarHBondContact O-OH 2.66Å; M59-Y284 HydrophobicContact CB-CE1 4.38Å; M59-Y284 HydrophobicContact CG-CE1 4.43Å; M59-Y284 WeakPolarHBondContact O-CE1 3.38Å; M280-Y284 HydrophobicContact CB-CD2 4.38Å; M280-Y284 HydrophobicContact CB-CE2 4.1Å; M280-Y284 HydrophobicContact CE-CE2 4.02Å; M280-Y284 WeakPolarHBondContact O-CD2 3.31Å; M280-Y284 PolarHBondContact O-N 3.44Å; A281-Y284 PolarHBondContact O-N 3.3Å; Y284-L288 HydrophobicContact CD1-CD1 3.63Å; Y284-L288 HydrophobicContact CE1-CD1 4.29Å
285N86.7Confident88Confident85 Ų8561 Ų6146%0.45533%0.327SS..Iπ-helixtrans-89.7-31.6-171.5-69.6-75.8000113.7A281 R289A281-N285 VanDerWaalsContact O-CB 3.31Å; A281-N285 WeakPolarHBondContact O-CB 3.18Å; A281-N285 PolarHBondContact O-N 2.99Å; A281-N285 PolarHBondContact O-ND2 2.86Å; N285-R289 VanDerWaalsContact O-CB 3.32Å; N285-R289 WeakPolarHBondContact O-CB 2.99Å; N285-R289 WeakPolarHBondContact O-CD 3.07Å; N285-R289 WeakPolarHBondContact O-CG 3.43Å; N285-R289 PolarHBondContact OD1-NH2 2.68Å
286F87.8Confident88.1Confident156 Ų15653.7 Ų53.768%0.68430%0.3SS*.Iπ-helixtrans-102.8-60.4-178.3-174.7-100.9000111.1L282 S290L282-F286 WeakPolarHBondContact O-CA 3.31Å; L282-F286 WeakPolarHBondContact O-CB 3.27Å; L282-F286 PolarHBondContact O-N 3.21Å; F286-S290 VanDerWaalsContact O-CB 3.3Å; F286-S290 WeakPolarHBondContact O-CB 3.11Å; F286-S290 PolarHBondContact O-N 3.2Å
287L89.2Confident88.2Confident66 Ų6662.8 Ų62.835%0.34634%0.335SS..Iπ-helixtrans-64.9-54.4-172.5-178.164.5000112.1M59 F60 L282 G283 R289 S290 L291M59-L287 HydrophobicContact CE-CD2 4Å; F60-L287 HydrophobicContact CE1-CD2 4.25Å; F60-L287 HydrophobicContact CZ-CD2 3.83Å; L282-L287 PolarHBondContact O-N 3.27Å; G283-L287 WeakPolarHBondContact O-CB 3.27Å; G283-L287 PolarHBondContact O-N 2.03Å; L287-R289 VanDerWaalsContact C-N 3.33Å; L287-R289 PolarHBondContact O-N 3.26Å; L287-S290 WeakPolarHBondContact O-CB 2.97Å; L287-S290 PolarHBondContact O-N 3.22Å; L287-L291 HydrophobicContact CD1-CD1 4.43Å; L287-L291 HydrophobicContact CG-CD1 4.17Å; L287-L291 WeakPolarHBondContact O-CG 3.46Å; L287-L291 PolarHBondContact O-N 3.41Å
288L88Confident88.4Confident15 Ų1568.5 Ų68.58%0.07935%0.352CS..Hα-helixtrans-66.3-35.6-177.8-63.5177.2000112.6M59 F60 S62 G283 Y284 S290 L291 I292M59-L288 WeakPolarHBondContact O-CD1 3.25Å; F60-L288 HydrophobicContact CD1-CD2 4.2Å; S62-L288 WeakPolarHBondContact O-CD1 2.93Å; G283-L288 WeakPolarHBondContact O-CG 3.31Å; G283-L288 PolarHBondContact O-N 3.13Å; Y284-L288 HydrophobicContact CD1-CD1 3.63Å; Y284-L288 HydrophobicContact CE1-CD1 4.29Å; L288-S290 VanDerWaalsContact C-N 3.34Å; L288-L291 HydrophobicContact CD2-CD1 4.24Å; L288-L291 PolarHBondContact O-N 2.94Å; L288-I292 PolarHBondContact O-N 3.49Å
289R88.5Confident88.5Confident110 Ų11067.8 Ų67.842%0.41534%0.342SS..Hα-helixtrans-67.7-33.3174.5-65.2-160.2-178.5168.4-1.3112.6T67 N285 L287 I292T67-R289 VanDerWaalsContact OG1-CD 3.3Å; T67-R289 WeakPolarHBondContact OG1-CD 3.22Å; T67-R289 WeakPolarHBondContact OG1-CG 3.43Å; T67-R289 PolarHBondContact OG1-NE 3.31Å; N285-R289 VanDerWaalsContact O-CB 3.32Å; N285-R289 WeakPolarHBondContact O-CB 2.99Å; N285-R289 WeakPolarHBondContact O-CD 3.07Å; N285-R289 WeakPolarHBondContact O-CG 3.43Å; N285-R289 PolarHBondContact OD1-NH2 2.68Å; L287-R289 VanDerWaalsContact C-N 3.33Å; L287-R289 PolarHBondContact O-N 3.26Å; R289-I292 WeakPolarHBondContact O-CG2 2.94Å
290S89.4Confident88.5Confident69 Ų6968.1 Ų68.148%0.48335%0.345SS..Hα-helixtrans-69.7-42.1172.6-1790000111.1F286 L287 L288 I292 S293 L294F286-S290 VanDerWaalsContact O-CB 3.3Å; F286-S290 WeakPolarHBondContact O-CB 3.11Å; F286-S290 PolarHBondContact O-N 3.2Å; L287-S290 WeakPolarHBondContact O-CB 2.97Å; L287-S290 PolarHBondContact O-N 3.22Å; L288-S290 VanDerWaalsContact C-N 3.34Å; S290-I292 PolarHBondContact O-N 2.83Å; S290-S293 WeakPolarHBondContact O-CB 2.87Å; S290-S293 PolarHBondContact O-N 3.12Å; S290-S293 VanDerWaalsContact O-N 3.17Å; S290-L294 PolarHBondContact O-N 2.95Å
291L89Confident88.7Confident57 Ų5771.7 Ų71.730%0.29836%0.364SS..Hα-helixtrans-62.6-40.9179.3-72.3172.7000113.1F60 L287 L288 S293 L294 Q295F60-L291 HydrophobicContact CE1-CD1 4.14Å; L287-L291 HydrophobicContact CD1-CD1 4.43Å; L287-L291 HydrophobicContact CG-CD1 4.17Å; L287-L291 WeakPolarHBondContact O-CG 3.46Å; L287-L291 PolarHBondContact O-N 3.41Å; L288-L291 HydrophobicContact CD2-CD1 4.24Å; L288-L291 PolarHBondContact O-N 2.94Å; L291-S293 VanDerWaalsContact C-N 3.3Å; L291-S293 PolarHBondContact O-N 3.45Å; L291-L294 WeakPolarHBondContact O-CB 3.18Å; L291-L294 PolarHBondContact O-N 3.38Å; L291-Q295 WeakPolarHBondContact O-CG 3.23Å; L291-Q295 PolarHBondContact O-N 3.23Å
292I89.3Confident88.9Confident3 Ų369.8 Ų69.82%0.01535%0.348CS..Hα-helixtrans-64.3-35.5175.4-174.1167.8000112.1T67 F68 F71 L288 R289 S290 Q295 A296 V309T67-I292 HydrophobicContact CG2-CG2 3.68Å; F68-I292 HydrophobicContact CB-CD1 4.01Å; F71-I292 HydrophobicContact CE2-CG1 4.37Å; F71-I292 HydrophobicContact CE2-CG2 4.38Å; L288-I292 PolarHBondContact O-N 3.49Å; R289-I292 WeakPolarHBondContact O-CG2 2.94Å; S290-I292 PolarHBondContact O-N 2.83Å; I292-Q295 PolarHBondContact O-N 2.87Å; I292-A296 WeakPolarHBondContact O-CB 3.06Å; I292-A296 PolarHBondContact O-N 3.41Å; I292-V309 HydrophobicContact CB-CG2 4.42Å; I292-V309 HydrophobicContact CD1-CG1 4.25Å; I292-V309 HydrophobicContact CD1-CG2 3.74Å; I292-V309 HydrophobicContact CG1-CG2 3.74Å
293S88.6Confident89.1Confident59 Ų5966.8 Ų66.841%0.41333%0.328SS..Hα-helixtrans-64-43.3174.8-1650000111.3S290 L291 Q295 A296 Y297S290-S293 WeakPolarHBondContact O-CB 2.87Å; S290-S293 PolarHBondContact O-N 3.12Å; S290-S293 VanDerWaalsContact O-N 3.17Å; L291-S293 VanDerWaalsContact C-N 3.3Å; L291-S293 PolarHBondContact O-N 3.45Å; S293-Q295 PolarHBondContact O-N 3.27Å; S293-A296 PolarHBondContact O-N 2.94Å; S293-Y297 PolarHBondContact O-N 2.94Å
294L89.6Confident89.3Confident98 Ų9874.4 Ų74.451%0.51336%0.355SS..Hα-helixtrans-62.5-42.3174.7-172.368.2000111.6S290 L291 Y297 F298S290-L294 PolarHBondContact O-N 2.95Å; L291-L294 WeakPolarHBondContact O-CB 3.18Å; L291-L294 PolarHBondContact O-N 3.38Å; L294-Y297 WeakPolarHBondContact O-CB 3.32Å; L294-Y297 PolarHBondContact O-N 3.28Å; L294-F298 HydrophobicContact CD1-CE2 3.87Å; L294-F298 HydrophobicContact CG-CD2 4.41Å; L294-F298 HydrophobicContact CG-CE2 3.98Å; L294-F298 WeakPolarHBondContact O-CD2 3.29Å; L294-F298 PolarHBondContact O-N 3.24Å
295Q89.5Confident89.6Confident59 Ų5973 Ų7328%0.27635%0.35SS..Hα-helixtrans-65.3-39.2176.4-71.7173.3200112.3L291 I292 S293 Y297 F298 I299 L305 V309L291-Q295 WeakPolarHBondContact O-CG 3.23Å; L291-Q295 PolarHBondContact O-N 3.23Å; I292-Q295 PolarHBondContact O-N 2.87Å; S293-Q295 PolarHBondContact O-N 3.27Å; Q295-Y297 PolarHBondContact O-N 3.43Å; Q295-F298 PolarHBondContact O-N 3.08Å; Q295-F298 VanDerWaalsContact O-N 3.16Å; Q295-I299 WeakPolarHBondContact O-CB 3.4Å; Q295-I299 PolarHBondContact O-N 3.2Å; Q295-L305 HydrophobicContact CB-CD1 3.79Å; Q295-V309 VanDerWaalsContact OE1-CG2 3.23Å
296A88.9Confident89.8Confident7 Ų769 Ų696%0.05833%0.329CS..Hα-helixtrans-63.7-27.6177.100000112.5F71 Y170 I292 S293 L305F71-A296 HydrophobicContact CD1-CB 3.91Å; F71-A296 HydrophobicContact CD2-CB 4.39Å; F71-A296 HydrophobicContact CE1-CB 4.01Å; F71-A296 HydrophobicContact CE2-CB 4.47Å; F71-A296 HydrophobicContact CG-CB 4.12Å; F71-A296 HydrophobicContact CZ-CB 4.3Å; Y170-A296 HydrophobicContact CD2-CB 4.13Å; Y170-A296 HydrophobicContact CE2-CB 4.04Å; Y170-A296 WeakPolarHBondContact CE2-O 3.35Å; I292-A296 WeakPolarHBondContact O-CB 3.06Å; I292-A296 PolarHBondContact O-N 3.41Å; S293-A296 PolarHBondContact O-N 2.94Å; A296-L305 HydrophobicContact CB-CD1 4.24Å; A296-L305 HydrophobicContact CB-CD2 3.92Å
297Y88.9Confident89.8Confident192 Ų19264.5 Ų64.575%0.75331%0.311SS*.Hα-helixtrans-68.7-40.3173-178.1-100.4000112.6S293 L294 Q295S293-Y297 PolarHBondContact O-N 2.94Å; L294-Y297 WeakPolarHBondContact O-CB 3.32Å; L294-Y297 PolarHBondContact O-N 3.28Å; Q295-Y297 PolarHBondContact O-N 3.43Å
298F90.4Very high89.8Confident146 Ų14663.3 Ų63.364%0.6431%0.308SS*.Hα-helixtrans-84.7-25.6-178.1-68.3-67.3000114.1L294 Q295L294-F298 HydrophobicContact CD1-CE2 3.87Å; L294-F298 HydrophobicContact CG-CD2 4.41Å; L294-F298 HydrophobicContact CG-CE2 3.98Å; L294-F298 WeakPolarHBondContact O-CD2 3.29Å; L294-F298 PolarHBondContact O-N 3.24Å; Q295-F298 PolarHBondContact O-N 3.08Å; Q295-F298 VanDerWaalsContact O-N 3.16Å
299I91Very high89.8Confident36 Ų3663 Ų6319%0.18531%0.307CS..  trans-114.2104.5-174.2-56.4172000108.6Y170 Q295 N301 W304 L305 S308Y170-I299 WeakPolarHBondContact CE2-O 3.38Å; Y170-I299 PolarHBondContact OH-O 3.21Å; Q295-I299 WeakPolarHBondContact O-CB 3.4Å; Q295-I299 PolarHBondContact O-N 3.2Å; I299-N301 VanDerWaalsContact C-N 3.35Å; I299-N301 PolarHBondContact O-N 2.86Å; I299-W304 HydrophobicContact CG2-CB 3.63Å; I299-L305 HydrophobicContact CG2-CB 4.18Å; I299-S308 VanDerWaalsContact CD1-OG 3.24Å; I299-S308 WeakPolarHBondContact CD1-OG 3.38Å
300P87.5Confident89.7Confident68 Ų6858 Ų5844%0.44229%0.288SS..  trans-77-18.7-174.728.5-34.9000114.1Y170 P171 G172Y170-P300 VanDerWaalsContact OH-C 3.27Å; Y170-P300 PolarHBondContact OH-O 3.33Å; P171-P300 HydrophobicContact CG-CB 3.63Å; G172-P300 WeakPolarHBondContact CA-O 3.47Å; G172-P300 PolarHBondContact N-O 2.98Å
301N91.2Very high89.5Confident85 Ų8557.1 Ų57.146%0.45529%0.285SS..BIsolated β-bridgetrans-99.2120.5-175.1-74.4-38.1000111.5Y170 I299 R303 W304 L305Y170-N301 PolarHBondContact OH-N 2.9Å; Y170-N301 PolarHBondContact OH-O 3.36Å; I299-N301 VanDerWaalsContact C-N 3.35Å; I299-N301 PolarHBondContact O-N 2.86Å; N301-R303 PolarHBondContact O-N 2.88Å; N301-R303 VanDerWaalsContact O-N 3.15Å; N301-W304 HydrophobicContact CB-CB 4.4Å; N301-W304 HydrophobicContact CB-CG 4.46Å; N301-W304 PolarHBondContact O-N 3.34Å; N301-L305 PolarHBondContact O-N 3.4Å
302W91.9Very high89.2Confident4 Ų456 Ų562%0.01528%0.282CS..Hα-helixtrans-57.2-33.3-177.770.4-92.1000113.7F68 Y170 G172 V174 E177 F178 T233 Y242 L305 N306F68-W302 HydrophobicContact CZ-CB 4.19Å; F68-W302 AromaticContact CZ-CE3 3.95Å; F68-W302 HydrophobicContact CZ-CE3 3.95Å; Y170-W302 HydrophobicContact CE1-CB 4Å; Y170-W302 WeakPolarHBondContact OH-CA 3.31Å; Y170-W302 PolarHBondContact OH-N 3.13Å; G172-W302 VanDerWaalsContact O-CB 3.23Å; G172-W302 WeakPolarHBondContact O-CB 3.36Å; G172-W302 PolarHBondContact O-N 3.03Å; G172-W302 VanDerWaalsContact O-N 3.13Å; V174-W302 HydrophobicContact CG2-CB 4.26Å; V174-W302 HydrophobicContact CG2-CD2 3.42Å; V174-W302 VanDerWaalsContact CG2-CD2 3.42Å; V174-W302 HydrophobicContact CG2-CE3 3.8Å; V174-W302 HydrophobicContact CG2-CG 3.66Å; V174-W302 HydrophobicContact CG2-CZ2 4.24Å; V174-W302 HydrophobicContact CG2-CZ3 4.32Å; E177-W302 PolarHBondContact OE2-NE1 2.9Å; F178-W302 HydrophobicContact CE2-CH2 4.34Å; F178-W302 AromaticContact CE2-CZ2 3.84Å; F178-W302 HydrophobicContact CE2-CZ2 3.84Å; F178-W302 HydrophobicContact CZ-CZ2 4.21Å; T233-W302 HydrophobicContact CG2-CZ3 4.49Å; T233-W302 WeakPolarHBondContact O-CH2 3.2Å; Y242-W302 AromaticContact CD2-CH2 3.93Å; Y242-W302 HydrophobicContact CD2-CH2 3.93Å; Y242-W302 AromaticContact CD2-CZ3 3.99Å; Y242-W302 HydrophobicContact CD2-CZ3 3.99Å; Y242-W302 HydrophobicContact CE2-CE3 4.45Å; Y242-W302 HydrophobicContact CE2-CH2 4.22Å; Y242-W302 AromaticContact CE2-CZ3 3.86Å; Y242-W302 HydrophobicContact CE2-CZ3 3.86Å; W302-L305 PolarHBondContact O-N 3.03Å; W302-N306 WeakPolarHBondContact O-CB 3.39Å; W302-N306 PolarHBondContact O-N 3.47Å
303R92.9Very high88.9Confident54 Ų5455.9 Ų55.920%0.20428%0.281CS..Hα-helixtrans-62.2-45.3179.9-65.8-177.7177.7-91.93.9111.7E177 S234 L235 S236 N301 L307E177-R303 IonicContact OE1-CZ 2.8Å; E177-R303 IonicContact OE1-NE 2.69Å; E177-R303 PolarHBondContact OE1-NE 2.82Å; E177-R303 IonicContact OE1-NH2 3.39Å; E177-R303 PolarHBondContact OE1-NH2 3.39Å; E177-R303 IonicContact OE2-CZ 3.53Å; E177-R303 IonicContact OE2-NE 3.12Å; E177-R303 PolarHBondContact OE2-NE 3.48Å; E177-R303 IonicContact OE2-NH2 3.49Å; S234-R303 WeakPolarHBondContact O-CD 3.46Å; S234-R303 WeakPolarHBondContact O-CG 3.37Å; S234-R303 PolarHBondContact O-NH1 3.23Å; S234-R303 PolarHBondContact OG-O 2.86Å; L235-R303 VanDerWaalsContact C-NH1 3.32Å; S236-R303 PolarHBondContact O-NH1 3.4Å; S236-R303 PolarHBondContact O-NH2 3.47Å; N301-R303 PolarHBondContact O-N 2.88Å; N301-R303 VanDerWaalsContact O-N 3.15Å; R303-L307 WeakPolarHBondContact O-CG 3.4Å; R303-L307 PolarHBondContact O-N 3.48Å
304W91.8Very high88.4Confident164 Ų16456.4 Ų56.462%0.62128%0.279SS*.Hα-helixtrans-72.6-35.4176.4-70106.7000112I299 N301 L307 S308I299-W304 HydrophobicContact CG2-CB 3.63Å; N301-W304 HydrophobicContact CB-CB 4.4Å; N301-W304 HydrophobicContact CB-CG 4.46Å; N301-W304 PolarHBondContact O-N 3.34Å; W304-L307 HydrophobicContact CE3-CD1 4.17Å; W304-L307 HydrophobicContact CZ3-CD1 4.32Å; W304-L307 PolarHBondContact O-N 2.94Å; W304-S308 WeakPolarHBondContact O-CB 3.38Å; W304-S308 PolarHBondContact O-N 3.48Å; W304-S308 PolarHBondContact O-OG 3.48Å
305L90.9Very high87.8Confident0 Ų056.9 Ų56.90%028%0.282CS..Hα-helixtrans-60.8-47.3173.6-179.563.1000110.4F68 Y170 Q295 A296 I299 N301 W302 L307 S308 V309F68-L305 HydrophobicContact CD2-CD2 4.35Å; F68-L305 HydrophobicContact CD2-CG 4.48Å; F68-L305 HydrophobicContact CE2-CD2 4.19Å; F68-L305 HydrophobicContact CE2-CG 4.29Å; Y170-L305 HydrophobicContact CE1-CD2 4.46Å; Y170-L305 HydrophobicContact CE2-CD2 4.04Å; Q295-L305 HydrophobicContact CB-CD1 3.79Å; A296-L305 HydrophobicContact CB-CD1 4.24Å; A296-L305 HydrophobicContact CB-CD2 3.92Å; I299-L305 HydrophobicContact CG2-CB 4.18Å; N301-L305 PolarHBondContact O-N 3.4Å; W302-L305 PolarHBondContact O-N 3.03Å; L305-L307 PolarHBondContact O-N 3.32Å; L305-S308 PolarHBondContact O-N 3.15Å; L305-V309 HydrophobicContact CD1-CG2 4.21Å; L305-V309 HydrophobicContact CG-CG2 4.43Å; L305-V309 WeakPolarHBondContact O-CB 3.43Å; L305-V309 WeakPolarHBondContact O-CG2 3.46Å; L305-V309 PolarHBondContact O-N 2.81Å
306N90.9Very high87Confident2 Ų254.5 Ų54.51%0.01127%0.271CS..Hα-helixtrans-59.9-45.1177.1-177.168.3000111.6F68 S230 S234 W302 S308 V309 M310F68-N306 HydrophobicContact CE2-CB 3.85Å; F68-N306 HydrophobicContact CZ-CB 3.98Å; S230-N306 PolarHBondContact O-ND2 3.32Å; S230-N306 VanDerWaalsContact O-ND2 3.1Å; S230-N306 PolarHBondContact OG-ND2 3.28Å; S230-N306 VanDerWaalsContact OG-ND2 3.08Å; S234-N306 WeakPolarHBondContact OG-CB 3.15Å; S234-N306 PolarHBondContact OG-ND2 3.46Å; W302-N306 WeakPolarHBondContact O-CB 3.39Å; W302-N306 PolarHBondContact O-N 3.47Å; N306-S308 VanDerWaalsContact C-N 3.35Å; N306-S308 PolarHBondContact O-N 3.45Å; N306-V309 PolarHBondContact O-N 2.8Å; N306-M310 WeakPolarHBondContact O-CB 3.44Å; N306-M310 WeakPolarHBondContact O-CG 3.39Å; N306-M310 PolarHBondContact O-N 3.41Å
307L89.3Confident86.5Confident61 Ų6155.3 Ų55.332%0.31927%0.274SS..Hα-helixtrans-61.7-41.8175.8-70176.2000112.4I231 S234 R303 W304 L305 M310 A311I231-L307 HydrophobicContact CG1-CD2 4.17Å; S234-L307 WeakPolarHBondContact OG-CG 3.33Å; R303-L307 WeakPolarHBondContact O-CG 3.4Å; R303-L307 PolarHBondContact O-N 3.48Å; W304-L307 HydrophobicContact CE3-CD1 4.17Å; W304-L307 HydrophobicContact CZ3-CD1 4.32Å; W304-L307 PolarHBondContact O-N 2.94Å; L305-L307 PolarHBondContact O-N 3.32Å; L307-M310 PolarHBondContact O-N 3.29Å; L307-M310 VanDerWaalsContact O-N 3.13Å; L307-A311 PolarHBondContact O-N 3.49Å; L307-A311 VanDerWaalsContact O-N 3.12Å
308S89Confident86Confident40 Ų4051 Ų5128%0.2826%0.264SS..Hα-helixtrans-67.5-40.4-178.5-58.90000112I299 W304 L305 N306 M310 A311I299-S308 VanDerWaalsContact CD1-OG 3.24Å; I299-S308 WeakPolarHBondContact CD1-OG 3.38Å; W304-S308 WeakPolarHBondContact O-CB 3.38Å; W304-S308 PolarHBondContact O-N 3.48Å; W304-S308 PolarHBondContact O-OG 3.48Å; L305-S308 PolarHBondContact O-N 3.15Å; N306-S308 VanDerWaalsContact C-N 3.35Å; N306-S308 PolarHBondContact O-N 3.45Å; S308-M310 PolarHBondContact O-N 2.98Å; S308-A311 WeakPolarHBondContact O-CB 3.22Å; S308-A311 PolarHBondContact O-N 2.9Å
309V87.5Confident85.2Confident9 Ų945.7 Ų45.76%0.05524%0.24CC..Hα-helixtrans-62.9-25.8174.1172.30000111.2P63 I292 Q295 L305 N306 P312P63-V309 HydrophobicContact CB-CG1 3.59Å; P63-V309 WeakPolarHBondContact CB-O 3.46Å; I292-V309 HydrophobicContact CB-CG2 4.42Å; I292-V309 HydrophobicContact CD1-CG1 4.25Å; I292-V309 HydrophobicContact CD1-CG2 3.74Å; I292-V309 HydrophobicContact CG1-CG2 3.74Å; Q295-V309 VanDerWaalsContact OE1-CG2 3.23Å; L305-V309 HydrophobicContact CD1-CG2 4.21Å; L305-V309 HydrophobicContact CG-CG2 4.43Å; L305-V309 WeakPolarHBondContact O-CB 3.43Å; L305-V309 WeakPolarHBondContact O-CG2 3.46Å; L305-V309 PolarHBondContact O-N 2.81Å; N306-V309 PolarHBondContact O-N 2.8Å; V309-P312 WeakPolarHBondContact O-CD 3.46Å
310M86.2Confident84.3Confident4 Ų444.8 Ų44.82%0.0224%0.235CC..Hα-helixtrans-92.6-14.7-176.6-63.3-83.4125.100113.5P63 T65 S230 N306 L307 S308 P312 N313P63-M310 HydrophobicContact CB-CE 3.96Å; P63-M310 HydrophobicContact CG-CE 3.36Å; P63-M310 HydrophobicContact CG-SD 4.23Å; T65-M310 HydrophobicContact CG2-CE 3.6Å; S230-M310 VanDerWaalsContact CB-SD 3.55Å; S230-M310 WeakPolarHBondContact OG-CG 3.4Å; S230-M310 PolarHBondContact OG-SD 3.29Å; N306-M310 WeakPolarHBondContact O-CB 3.44Å; N306-M310 WeakPolarHBondContact O-CG 3.39Å; N306-M310 PolarHBondContact O-N 3.41Å; L307-M310 PolarHBondContact O-N 3.29Å; L307-M310 VanDerWaalsContact O-N 3.13Å; S308-M310 PolarHBondContact O-N 2.98Å; M310-P312 VanDerWaalsContact C-CD 3.45Å; M310-P312 VanDerWaalsContact C-N 3.33Å; M310-N313 WeakPolarHBondContact O-CB 3.26Å; M310-N313 PolarHBondContact O-N 2.95Å
311A85.1Confident83.8Confident51 Ų5146.5 Ų46.542%0.42124%0.239SC..Hα-helixtrans-54.1-40.7178.100000113.5L307 S308 N313 L314L307-A311 PolarHBondContact O-N 3.49Å; L307-A311 VanDerWaalsContact O-N 3.12Å; S308-A311 WeakPolarHBondContact O-CB 3.22Å; S308-A311 PolarHBondContact O-N 2.9Å; A311-N313 PolarHBondContact O-N 2.99Å; A311-L314 WeakPolarHBondContact O-CB 3.2Å; A311-L314 PolarHBondContact O-N 2.86Å; A311-L314 VanDerWaalsContact O-N 3.07Å
312P82.9Confident82.8Confident35 Ų3547.8 Ų47.823%0.22725%0.25CS..Hα-helixtrans-62-23.1175.2-24.335.9000114.5F60 V309 M310 L314 L315F60-P312 WeakPolarHBondContact O-CB 3.44Å; V309-P312 WeakPolarHBondContact O-CD 3.46Å; M310-P312 VanDerWaalsContact C-CD 3.45Å; M310-P312 VanDerWaalsContact C-N 3.33Å; P312-L314 VanDerWaalsContact C-N 3.26Å; P312-L314 PolarHBondContact O-N 2.82Å; P312-L315 WeakPolarHBondContact O-CB 3.31Å; P312-L315 PolarHBondContact O-N 3.16Å
313N82.4Confident81.6Confident0 Ų052.9 Ų52.90%027%0.273CS..Hα-helixtrans-65.9-31.3175.4-165.416.2000111.7E226 K256 M310 A311 L315 C316 I317E226-N313 WeakPolarHBondContact CG-ND2 3.09Å; E226-N313 PolarHBondContact OE2-ND2 2.96Å; K256-N313 PolarHBondContact NZ-OD1 3.08Å; M310-N313 WeakPolarHBondContact O-CB 3.26Å; M310-N313 PolarHBondContact O-N 2.95Å; A311-N313 PolarHBondContact O-N 2.99Å; N313-L315 VanDerWaalsContact C-N 3.28Å; N313-L315 PolarHBondContact O-N 3.11Å; N313-C316 WeakPolarHBondContact O-CB 3.24Å; N313-C316 PolarHBondContact O-N 3.06Å; N313-C316 VanDerWaalsContact O-N 3.13Å; N313-I317 PolarHBondContact O-N 3.39Å
314L79.3Confident79.6Confident69 Ų6957 Ų5736%0.36131%0.309SS..Hα-helixtrans-62.6-36.8174-73173.4000112F227 A311 P312 C316 I317 L318F227-L314 HydrophobicContact CD1-CD2 4.22Å; F227-L314 HydrophobicContact CD2-CD2 3.68Å; F227-L314 HydrophobicContact CD2-CG 3.92Å; F227-L314 HydrophobicContact CE1-CD2 3.94Å; F227-L314 HydrophobicContact CE2-CD1 3.71Å; F227-L314 HydrophobicContact CE2-CD2 3.38Å; F227-L314 HydrophobicContact CE2-CG 3.49Å; F227-L314 VanDerWaalsContact CE2-CG 3.49Å; F227-L314 HydrophobicContact CG-CD2 4.1Å; F227-L314 HydrophobicContact CZ-CD1 4.01Å; F227-L314 HydrophobicContact CZ-CD2 3.51Å; F227-L314 HydrophobicContact CZ-CG 4.03Å; A311-L314 WeakPolarHBondContact O-CB 3.2Å; A311-L314 PolarHBondContact O-N 2.86Å; A311-L314 VanDerWaalsContact O-N 3.07Å; P312-L314 VanDerWaalsContact C-N 3.26Å; P312-L314 PolarHBondContact O-N 2.82Å; L314-C316 PolarHBondContact O-N 2.98Å; L314-I317 HydrophobicContact CD2-CD1 4.46Å; L314-I317 PolarHBondContact O-N 3.25Å; L314-L318 WeakPolarHBondContact O-CG 3.49Å; L314-L318 PolarHBondContact O-N 2.69Å
315L76.4Confident79Confident109 Ų10951.6 Ų51.657%0.57129%0.294SS*.Hα-helixtrans-61.6-34.2176-62.4173.6000111.4P312 N313 Y319P312-L315 WeakPolarHBondContact O-CB 3.31Å; P312-L315 PolarHBondContact O-N 3.16Å; N313-L315 VanDerWaalsContact C-N 3.28Å; N313-L315 PolarHBondContact O-N 3.11Å; L315-Y319 WeakPolarHBondContact O-CB 3.23Å; L315-Y319 PolarHBondContact O-N 2.83Å
316C73.7Confident78.4Confident9 Ų954.3 Ų54.36%0.06131%0.309CS..Hα-helixtrans-63-50.2174.3-166.30000112S61 N313 L314 L318 Y319 F320S61-C316 VanDerWaalsContact CB-CB 3.49Å; S61-C316 WeakPolarHBondContact OG-CB 3.38Å; S61-C316 PolarHBondContact OG-SG 2.8Å; N313-C316 WeakPolarHBondContact O-CB 3.24Å; N313-C316 PolarHBondContact O-N 3.06Å; N313-C316 VanDerWaalsContact O-N 3.13Å; L314-C316 PolarHBondContact O-N 2.98Å; C316-L318 VanDerWaalsContact C-N 3.3Å; C316-L318 PolarHBondContact O-N 3.31Å; C316-Y319 PolarHBondContact O-N 2.74Å; C316-F320 WeakPolarHBondContact O-CD2 3.39Å; C316-F320 PolarHBondContact O-N 3.2Å; C316-F320 VanDerWaalsContact SG-CD2 3.52Å; C316-F320 VanDerWaalsContact SG-CE2 3.51Å
317I77.1Confident77.7Confident23 Ų2357.2 Ų57.212%0.11833%0.326CS..Hα-helixtrans-58.3-47179.2-63.6172.9000109.3A223 I224 F227 N313 L314 L321A223-I317 HydrophobicContact CB-CD1 4.31Å; A223-I317 HydrophobicContact CB-CG1 3.79Å; I224-I317 HydrophobicContact CG1-CD1 4.39Å; F227-I317 HydrophobicContact CB-CD1 4.2Å; N313-I317 PolarHBondContact O-N 3.39Å; L314-I317 HydrophobicContact CD2-CD1 4.46Å; L314-I317 PolarHBondContact O-N 3.25Å; I317-L321 HydrophobicContact CG2-CD1 3.73Å; I317-L321 HydrophobicContact CG2-CG 4.37Å; I317-L321 WeakPolarHBondContact O-CB 3.43Å; I317-L321 WeakPolarHBondContact O-CG 3.32Å; I317-L321 PolarHBondContact O-N 3.25Å
318L78.1Confident77Confident103 Ų10357 Ų5754%0.53933%0.326SS..Hα-helixtrans-61.7-45.7177.7-68.1173.4000112.3L314 C316 L321 V322L314-L318 WeakPolarHBondContact O-CG 3.49Å; L314-L318 PolarHBondContact O-N 2.69Å; C316-L318 VanDerWaalsContact C-N 3.3Å; C316-L318 PolarHBondContact O-N 3.31Å; L318-L321 PolarHBondContact O-N 2.87Å; L318-V322 WeakPolarHBondContact O-CB 3.38Å; L318-V322 VanDerWaalsContact O-CG2 3.24Å; L318-V322 WeakPolarHBondContact O-CG2 3.33Å; L318-V322 PolarHBondContact O-N 3.03Å
319Y74Confident76.3Confident33 Ų3358.1 Ų58.113%0.12933%0.329CS..Hα-helixtrans-60.2-50.9178.9177.3-96.6000111.9F53 T54 L57 L315 C316 L321 V322 F323F53-Y319 HydrophobicContact CE1-CE2 4.08Å; T54-Y319 VanDerWaalsContact CG2-OH 3.3Å; T54-Y319 WeakPolarHBondContact CG2-OH 3.36Å; L57-Y319 HydrophobicContact CD1-CD1 4.4Å; L57-Y319 HydrophobicContact CD1-CD2 3.33Å; L57-Y319 HydrophobicContact CD1-CE1 4.41Å; L57-Y319 HydrophobicContact CD1-CE2 3.3Å; L57-Y319 HydrophobicContact CD1-CG 3.91Å; L315-Y319 WeakPolarHBondContact O-CB 3.23Å; L315-Y319 PolarHBondContact O-N 2.83Å; C316-Y319 PolarHBondContact O-N 2.74Å; Y319-L321 VanDerWaalsContact C-N 3.29Å; Y319-L321 PolarHBondContact O-N 3.03Å; Y319-V322 PolarHBondContact O-N 3.45Å; Y319-F323 HydrophobicContact CD1-CD2 4.43Å; Y319-F323 AromaticContact CD2-CD2 3.44Å; Y319-F323 HydrophobicContact CD2-CD2 3.44Å; Y319-F323 VanDerWaalsContact CD2-CD2 3.44Å; Y319-F323 AromaticContact CD2-CE2 3.42Å; Y319-F323 HydrophobicContact CD2-CE2 3.42Å; Y319-F323 VanDerWaalsContact CD2-CE2 3.42Å; Y319-F323 HydrophobicContact CD2-CZ 4.49Å; Y319-F323 HydrophobicContact CE1-CD2 4.21Å; Y319-F323 AromaticContact CE2-CD2 3.2Å; Y319-F323 HydrophobicContact CE2-CD2 3.2Å; Y319-F323 HydrophobicContact CE2-CE1 4.47Å; Y319-F323 AromaticContact CE2-CE2 3Å; Y319-F323 HydrophobicContact CE2-CE2 3Å; Y319-F323 HydrophobicContact CE2-CG 4.05Å; Y319-F323 AromaticContact CE2-CZ 3.71Å; Y319-F323 HydrophobicContact CE2-CZ 3.71Å; Y319-F323 HydrophobicContact CG-CD2 4.07Å; Y319-F323 HydrophobicContact CG-CE2 4.46Å; Y319-F323 AromaticContact CZ-CD2 3.59Å; Y319-F323 AromaticContact CZ-CE2 3.76Å; Y319-F323 AromaticContact CZ-CG 3.99Å; Y319-F323 WeakPolarHBondContact O-CD2 3.48Å; Y319-F323 PolarHBondContact O-N 3.49Å
320F72.7Confident75.5Confident18 Ų1861.3 Ų61.38%0.07935%0.347CS..Hα-helixtrans-68.9-27.6-178-81.2-69.5000113.6K216 I220 L260 L263 C316K216-F320 VanDerWaalsContact CE-O 3.25Å; K216-F320 WeakPolarHBondContact CE-O 3.42Å; K216-F320 HydrophobicContact CG-CD1 4.08Å; K216-F320 PolarHBondContact NZ-O 3.44Å; I220-F320 HydrophobicContact CD1-CB 3.94Å; I220-F320 HydrophobicContact CG1-CB 3.72Å; I220-F320 HydrophobicContact CG1-CG 4.34Å; L260-F320 HydrophobicContact CD2-CE2 3.69Å; L260-F320 HydrophobicContact CD2-CZ 3.45Å; L260-F320 VanDerWaalsContact CD2-CZ 3.45Å; L263-F320 HydrophobicContact CD2-CE1 4.24Å; L263-F320 HydrophobicContact CD2-CZ 4.35Å; C316-F320 WeakPolarHBondContact O-CD2 3.39Å; C316-F320 PolarHBondContact O-N 3.2Å; C316-F320 VanDerWaalsContact SG-CD2 3.52Å; C316-F320 VanDerWaalsContact SG-CE2 3.51Å
321L75.9Confident74.7Confident103 Ų10365.4 Ų65.454%0.53937%0.371SS..Hα-helixtrans-72-42.5172.2-73.2174.4000112.1I317 L318 Y319 S324I317-L321 HydrophobicContact CG2-CD1 3.73Å; I317-L321 HydrophobicContact CG2-CG 4.37Å; I317-L321 WeakPolarHBondContact O-CB 3.43Å; I317-L321 WeakPolarHBondContact O-CG 3.32Å; I317-L321 PolarHBondContact O-N 3.25Å; L318-L321 PolarHBondContact O-N 2.87Å; Y319-L321 VanDerWaalsContact C-N 3.29Å; Y319-L321 PolarHBondContact O-N 3.03Å; L321-S324 PolarHBondContact O-N 3.49Å
322V72.1Confident74Confident113 Ų11366.5 Ų66.569%0.68537%0.367SS*.Hα-helixtrans-71.5-38.1-179.8171.40000112.1L318 Y319 S324L318-V322 WeakPolarHBondContact O-CB 3.38Å; L318-V322 VanDerWaalsContact O-CG2 3.24Å; L318-V322 WeakPolarHBondContact O-CG2 3.33Å; L318-V322 PolarHBondContact O-N 3.03Å; Y319-V322 PolarHBondContact O-N 3.45Å; V322-S324 PolarHBondContact O-N 3.35Å
323F66Low73.2Confident110 Ų11069.2 Ų69.248%0.48238%0.379SS..THydrogen-bonded Turntrans-84.128.7176.3-77.8-92.7000112.9K216 Y319K216-F323 PolarHBondContact NZ-O 3.3Å; Y319-F323 HydrophobicContact CD1-CD2 4.43Å; Y319-F323 AromaticContact CD2-CD2 3.44Å; Y319-F323 HydrophobicContact CD2-CD2 3.44Å; Y319-F323 VanDerWaalsContact CD2-CD2 3.44Å; Y319-F323 AromaticContact CD2-CE2 3.42Å; Y319-F323 HydrophobicContact CD2-CE2 3.42Å; Y319-F323 VanDerWaalsContact CD2-CE2 3.42Å; Y319-F323 HydrophobicContact CD2-CZ 4.49Å; Y319-F323 HydrophobicContact CE1-CD2 4.21Å; Y319-F323 AromaticContact CE2-CD2 3.2Å; Y319-F323 HydrophobicContact CE2-CD2 3.2Å; Y319-F323 HydrophobicContact CE2-CE1 4.47Å; Y319-F323 AromaticContact CE2-CE2 3Å; Y319-F323 HydrophobicContact CE2-CE2 3Å; Y319-F323 HydrophobicContact CE2-CG 4.05Å; Y319-F323 AromaticContact CE2-CZ 3.71Å; Y319-F323 HydrophobicContact CE2-CZ 3.71Å; Y319-F323 HydrophobicContact CG-CD2 4.07Å; Y319-F323 HydrophobicContact CG-CE2 4.46Å; Y319-F323 AromaticContact CZ-CD2 3.59Å; Y319-F323 AromaticContact CZ-CE2 3.76Å; Y319-F323 AromaticContact CZ-CG 3.99Å; Y319-F323 WeakPolarHBondContact O-CD2 3.48Å; Y319-F323 PolarHBondContact O-N 3.49Å
324S51Low72.4Confident140 Ų14075.5 Ų75.598%0.97941%0.413SS*.  trans-104.10173-159.70000113.7K216 L321 V322K216-S324 PolarHBondContact NZ-OG 3.08Å; K216-S324 VanDerWaalsContact NZ-OG 3.16Å; L321-S324 PolarHBondContact O-N 3.49Å; V322-S324 PolarHBondContact O-N 3.35Å

Retrieved 324 of 324 residues in 345.2 ms (Link to these results)

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