CLD11_RAT Loading...

Claudin-11

Plays a major role in tight junction-specific obliteration of the intercellular space, through calcium-independent cell-adhesion activity.

AlphaFold DB , UniProt , Accession Q99P82, Species RAT (Rattus norvegicus, Rat), Gene Cldn11, Length 207 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
1M62.5Low85.7Confident208 Ų20869.1 Ų69.1100%1.02540%0.398SS*.  0-55.30-63.5-169.3-67.300111.6T4 C5M1-T4 WeakPolarHBondContact O-CB 3.48Å; M1-T4 PolarHBondContact O-N 3.18Å; M1-C5 PolarHBondContact O-N 3.32Å
2V78.7Confident86.5Confident107 Ų10769.7 Ų69.765%0.64840%0.404SS*.Hα-helixtrans-57.4-52.9-177.9-1780000113.2T4 C5 L6V2-T4 VanDerWaalsContact C-N 3.26Å; V2-T4 PolarHBondContact O-N 3.19Å; V2-C5 WeakPolarHBondContact O-CB 3.13Å; V2-C5 PolarHBondContact O-N 3.38Å; V2-C5 VanDerWaalsContact O-N 3.09Å; V2-L6 HydrophobicContact CG1-CD1 3.89Å; V2-L6 HydrophobicContact CG1-CG 4.36Å; V2-L6 WeakPolarHBondContact O-CG 3.33Å; V2-L6 PolarHBondContact O-N 3.09Å
3A79.9Confident87.3Confident46 Ų4667.1 Ų67.138%0.3839%0.39SS..Hα-helixtrans-58-37.918000000113L6 Q7A3-L6 PolarHBondContact O-N 3.16Å; A3-Q7 WeakPolarHBondContact O-CG 3.08Å; A3-Q7 PolarHBondContact O-N 3.32Å
4T82.8Confident88Confident62 Ų6262.3 Ų62.338%0.3836%0.362SS..Hα-helixtrans-66.5-43.1176.7-47.20000111.8M1 V2 Q7 V8 P104M1-T4 WeakPolarHBondContact O-CB 3.48Å; M1-T4 PolarHBondContact O-N 3.18Å; V2-T4 VanDerWaalsContact C-N 3.26Å; V2-T4 PolarHBondContact O-N 3.19Å; T4-Q7 PolarHBondContact O-N 2.99Å; T4-V8 WeakPolarHBondContact O-CG2 3.21Å; T4-V8 PolarHBondContact O-N 3.1Å; T4-V8 VanDerWaalsContact O-N 3.1Å; T4-P104 HydrophobicContact CG2-CB 3.82Å; T4-P104 HydrophobicContact CG2-CG 3.49Å; T4-P104 VanDerWaalsContact CG2-CG 3.49Å
5C86Confident88.6Confident76 Ų7663.8 Ų63.851%0.51436%0.362SS..Hα-helixtrans-61-47175.2-173.70000110.8M1 V2 Q7 V8 V9M1-C5 PolarHBondContact O-N 3.32Å; V2-C5 WeakPolarHBondContact O-CB 3.13Å; V2-C5 PolarHBondContact O-N 3.38Å; V2-C5 VanDerWaalsContact O-N 3.09Å; C5-Q7 VanDerWaalsContact C-N 3.34Å; C5-Q7 PolarHBondContact O-N 3.26Å; C5-V8 PolarHBondContact O-N 3.24Å; C5-V9 WeakPolarHBondContact O-CG2 3.37Å; C5-V9 PolarHBondContact O-N 2.86Å
6L89.8Confident89.2Confident68 Ų6864.4 Ų64.436%0.35637%0.368SS..Hα-helixtrans-63.1-37.1178.3-68.7172.8000112.8V2 A3 G10 V174 C178V2-L6 HydrophobicContact CG1-CD1 3.89Å; V2-L6 HydrophobicContact CG1-CG 4.36Å; V2-L6 WeakPolarHBondContact O-CG 3.33Å; V2-L6 PolarHBondContact O-N 3.09Å; A3-L6 PolarHBondContact O-N 3.16Å; L6-G10 PolarHBondContact O-N 3.41Å; L6-V174 HydrophobicContact CB-CG1 4.07Å; L6-C178 VanDerWaalsContact CD1-SG 3.58Å
7Q89.5Confident89.7Confident31 Ų3160.6 Ų60.615%0.14535%0.346CS..Hα-helixtrans-64.2-43.2173.7-79.2179.8-15.600112.5A3 T4 C5 F11A3-Q7 WeakPolarHBondContact O-CG 3.08Å; A3-Q7 PolarHBondContact O-N 3.32Å; T4-Q7 PolarHBondContact O-N 2.99Å; C5-Q7 VanDerWaalsContact C-N 3.34Å; C5-Q7 PolarHBondContact O-N 3.26Å; Q7-F11 WeakPolarHBondContact O-CB 3.49Å; Q7-F11 PolarHBondContact O-N 3.27Å
8V91.5Very high90.2Very high56 Ų5659.1 Ų59.134%0.33933%0.334SS..Hα-helixtrans-66.8-45.2177.4174.50000110.7T4 C5 F11 V12 L103 P104T4-V8 WeakPolarHBondContact O-CG2 3.21Å; T4-V8 PolarHBondContact O-N 3.1Å; T4-V8 VanDerWaalsContact O-N 3.1Å; C5-V8 PolarHBondContact O-N 3.24Å; V8-F11 PolarHBondContact O-N 3.44Å; V8-V12 HydrophobicContact CG1-CG2 4.43Å; V8-V12 WeakPolarHBondContact O-CG2 3.44Å; V8-V12 PolarHBondContact O-N 3.09Å; V8-L103 HydrophobicContact CG2-CD2 4.11Å; V8-P104 HydrophobicContact CG2-CG 4.35Å
9V92.8Very high90.6Very high74 Ų7459.8 Ų59.845%0.44834%0.336SS..Hα-helixtrans-60.7-48.9176.4171.60000110.3C5 F11 V12 T13C5-V9 WeakPolarHBondContact O-CG2 3.37Å; C5-V9 PolarHBondContact O-N 2.86Å; V9-F11 VanDerWaalsContact C-N 3.28Å; V9-F11 PolarHBondContact O-N 3.11Å; V9-V12 PolarHBondContact O-N 3.35Å; V9-T13 HydrophobicContact CG1-CG2 4.2Å; V9-T13 WeakPolarHBondContact O-CB 3.42Å; V9-T13 WeakPolarHBondContact O-CG2 3.29Å; V9-T13 PolarHBondContact O-N 3.35Å; V9-T13 PolarHBondContact O-OG1 3.39Å
10G93.9Very high91Very high1 Ų157.6 Ų57.61%0.0133%0.327CS..Hα-helixtrans-59.3-37.617700000112.9L6 T13 S14L6-G10 PolarHBondContact O-N 3.41Å; G10-T13 WeakPolarHBondContact CA-OG1 3.47Å; G10-T13 PolarHBondContact O-OG1 3.24Å; G10-T13 VanDerWaalsContact O-OG1 3.11Å; G10-S14 VanDerWaalsContact O-CB 3.25Å; G10-S14 WeakPolarHBondContact O-CB 3.4Å; G10-S14 PolarHBondContact O-N 3.28Å; G10-S14 PolarHBondContact O-OG 3.09Å
11F94.7Very high91.3Very high31 Ų3154.9 Ų54.914%0.13631%0.311CS..Hα-helixtrans-65.8-50.7173.7168.8-103.7000112.4Q7 V8 V9 T13 S14 F15 I96 L99 L100 L103Q7-F11 WeakPolarHBondContact O-CB 3.49Å; Q7-F11 PolarHBondContact O-N 3.27Å; V8-F11 PolarHBondContact O-N 3.44Å; V9-F11 VanDerWaalsContact C-N 3.28Å; V9-F11 PolarHBondContact O-N 3.11Å; F11-T13 PolarHBondContact O-N 3.17Å; F11-S14 PolarHBondContact O-N 3.02Å; F11-F15 WeakPolarHBondContact O-CB 3.19Å; F11-F15 PolarHBondContact O-N 3.23Å; F11-I96 HydrophobicContact CE2-CG2 4.09Å; F11-L99 HydrophobicContact CB-CD1 4.44Å; F11-L99 HydrophobicContact CD2-CB 3.61Å; F11-L99 HydrophobicContact CD2-CD1 3.96Å; F11-L99 HydrophobicContact CD2-CG 4.48Å; F11-L99 HydrophobicContact CE2-CB 4.22Å; F11-L100 HydrophobicContact CE1-CD2 4.1Å; F11-L100 HydrophobicContact CE2-CD2 3.65Å; F11-L100 HydrophobicContact CE2-CG 3.76Å; F11-L100 HydrophobicContact CZ-CD2 3.3Å; F11-L100 HydrophobicContact CZ-CG 3.9Å; F11-L103 HydrophobicContact CB-CD2 3.93Å; F11-L103 HydrophobicContact CD1-CD1 3.74Å; F11-L103 HydrophobicContact CD1-CD2 4.32Å; F11-L103 HydrophobicContact CD2-CD1 4.25Å; F11-L103 HydrophobicContact CE1-CD1 3.92Å; F11-L103 HydrophobicContact CE2-CD1 4.38Å; F11-L103 HydrophobicContact CG-CD1 3.91Å; F11-L103 HydrophobicContact CG-CD2 4.14Å; F11-L103 HydrophobicContact CG-CG 4.4Å; F11-L103 HydrophobicContact CZ-CD1 4.25Å
12V95.9Very high93Very high76 Ų7647.8 Ų47.846%0.46128%0.277SS..Hα-helixtrans-62.9-44.6-178172.20000110.6V8 V9 F15 V16V8-V12 HydrophobicContact CG1-CG2 4.43Å; V8-V12 WeakPolarHBondContact O-CG2 3.44Å; V8-V12 PolarHBondContact O-N 3.09Å; V9-V12 PolarHBondContact O-N 3.35Å; V12-F15 PolarHBondContact O-N 3.46Å; V12-V16 WeakPolarHBondContact O-CG2 3.48Å; V12-V16 PolarHBondContact O-N 3.09Å
13T96.5Very high93.9Very high36 Ų3645.5 Ų45.522%0.22126%0.263CS..Hα-helixtrans-63.3-43.9176.956.80000111.6V9 G10 F11 F15 G17V9-T13 HydrophobicContact CG1-CG2 4.2Å; V9-T13 WeakPolarHBondContact O-CB 3.42Å; V9-T13 WeakPolarHBondContact O-CG2 3.29Å; V9-T13 PolarHBondContact O-N 3.35Å; V9-T13 PolarHBondContact O-OG1 3.39Å; G10-T13 WeakPolarHBondContact CA-OG1 3.47Å; G10-T13 PolarHBondContact O-OG1 3.24Å; G10-T13 VanDerWaalsContact O-OG1 3.11Å; F11-T13 PolarHBondContact O-N 3.17Å; T13-F15 PolarHBondContact O-N 3.09Å; T13-G17 PolarHBondContact O-N 3.1Å
14S97.4Very high94.7Very high0 Ų043.3 Ų43.30%025%0.245CC..Hα-helixtrans-63.1-40.5176.1-55.70000112.6G10 F11 G17 W18 L127 G171G10-S14 VanDerWaalsContact O-CB 3.25Å; G10-S14 WeakPolarHBondContact O-CB 3.4Å; G10-S14 PolarHBondContact O-N 3.28Å; G10-S14 PolarHBondContact O-OG 3.09Å; F11-S14 PolarHBondContact O-N 3.02Å; S14-G17 PolarHBondContact O-N 2.97Å; S14-W18 WeakPolarHBondContact O-CB 3.18Å; S14-W18 PolarHBondContact O-N 3.03Å; S14-L127 WeakPolarHBondContact OG-CD1 3.48Å; S14-G171 WeakPolarHBondContact OG-CA 3.35Å
15F97.6Very high95.4Very high85 Ų8541 Ų4137%0.37323%0.231SC..Hα-helixtrans-64.1-50.2179.6-178.5-106.5000111.3F11 V12 T13 G17 W18 I19 I96F11-F15 WeakPolarHBondContact O-CB 3.19Å; F11-F15 PolarHBondContact O-N 3.23Å; V12-F15 PolarHBondContact O-N 3.46Å; T13-F15 PolarHBondContact O-N 3.09Å; F15-G17 VanDerWaalsContact C-N 3.3Å; F15-G17 PolarHBondContact O-N 3.37Å; F15-W18 HydrophobicContact CD2-CE3 4.44Å; F15-W18 HydrophobicContact CE2-CE3 4.43Å; F15-W18 HydrophobicContact CE2-CZ3 4.48Å; F15-W18 PolarHBondContact O-N 2.93Å; F15-I19 HydrophobicContact CE1-CG1 4.33Å; F15-I19 HydrophobicContact CZ-CD1 4.34Å; F15-I19 HydrophobicContact CZ-CG1 4.36Å; F15-I19 WeakPolarHBondContact O-CG1 3.45Å; F15-I19 PolarHBondContact O-N 2.94Å; F15-I96 HydrophobicContact CB-CD1 4.21Å; F15-I96 HydrophobicContact CD2-CD1 4.45Å; F15-I96 HydrophobicContact CD2-CG1 4.44Å; F15-I96 HydrophobicContact CD2-CG2 3.76Å; F15-I96 HydrophobicContact CE2-CG2 4.29Å
16V98Very high95.8Very high74 Ų7441 Ų4145%0.44823%0.232SC..Hα-helixtrans-62.4-40.8176.5175.30000110.8V12 W18 I19 G20 M167V12-V16 WeakPolarHBondContact O-CG2 3.48Å; V12-V16 PolarHBondContact O-N 3.09Å; V16-W18 VanDerWaalsContact C-N 3.34Å; V16-W18 PolarHBondContact O-N 3.26Å; V16-I19 PolarHBondContact O-N 3.27Å; V16-G20 PolarHBondContact O-N 2.7Å; V16-M167 HydrophobicContact CB-CE 3.63Å; V16-M167 HydrophobicContact CG1-CE 3.56Å; V16-M167 HydrophobicContact CG1-SD 4.03Å
17G98.1Very high96.1Very high0 Ų038.9 Ų38.90%022%0.222CC..Hα-helixtrans-59.8-43.6176.100000112.7T13 S14 F15 G20 I21 G164T13-G17 PolarHBondContact O-N 3.1Å; S14-G17 PolarHBondContact O-N 2.97Å; F15-G17 VanDerWaalsContact C-N 3.3Å; F15-G17 PolarHBondContact O-N 3.37Å; G17-G20 WeakPolarHBondContact O-CA 3.36Å; G17-G20 PolarHBondContact O-N 3.25Å; G17-G20 VanDerWaalsContact O-N 3.11Å; G17-I21 PolarHBondContact O-N 3.24Å; G17-G164 WeakPolarHBondContact CA-O 3.44Å; G17-G164 WeakPolarHBondContact O-CA 3.48Å
18W98.2Very high96.2Very high33 Ų3339.1 Ų39.113%0.12522%0.224CC..Hα-helixtrans-64.7-41.2177.4179.551.4000112.6S14 F15 V16 G20 I21 I22 S89 L93 I96 C168S14-W18 WeakPolarHBondContact O-CB 3.18Å; S14-W18 PolarHBondContact O-N 3.03Å; F15-W18 HydrophobicContact CD2-CE3 4.44Å; F15-W18 HydrophobicContact CE2-CE3 4.43Å; F15-W18 HydrophobicContact CE2-CZ3 4.48Å; F15-W18 PolarHBondContact O-N 2.93Å; V16-W18 VanDerWaalsContact C-N 3.34Å; V16-W18 PolarHBondContact O-N 3.26Å; W18-G20 VanDerWaalsContact C-N 3.26Å; W18-G20 PolarHBondContact O-N 3.15Å; W18-I21 PolarHBondContact O-N 3.1Å; W18-I21 VanDerWaalsContact O-N 3.12Å; W18-I22 HydrophobicContact CD2-CD1 3.93Å; W18-I22 HydrophobicContact CE3-CD1 4.17Å; W18-I22 HydrophobicContact CH2-CD1 3.98Å; W18-I22 HydrophobicContact CZ2-CD1 3.71Å; W18-I22 HydrophobicContact CZ3-CD1 4.19Å; W18-I22 WeakPolarHBondContact O-CG1 3.37Å; W18-I22 PolarHBondContact O-N 3.5Å; W18-S89 PolarHBondContact NE1-O 2.89Å; W18-L93 HydrophobicContact CH2-CB 4.14Å; W18-L93 HydrophobicContact CZ2-CB 3.86Å; W18-I96 HydrophobicContact CB-CG1 4.41Å; W18-I96 HydrophobicContact CD2-CG1 4.15Å; W18-I96 HydrophobicContact CE3-CG1 3.91Å; W18-I96 HydrophobicContact CG-CG1 4.4Å; W18-C168 PolarHBondContact N-SG 2.73Å; W18-C168 VanDerWaalsContact N-SG 3.35Å
19I98Very high96.3Very high73 Ų7338.2 Ų38.237%0.37422%0.217SC..Hα-helixtrans-59.1-41.1171.2-62.9-58.4000110.6F15 V16 I21 I22 V23F15-I19 HydrophobicContact CE1-CG1 4.33Å; F15-I19 HydrophobicContact CZ-CD1 4.34Å; F15-I19 HydrophobicContact CZ-CG1 4.36Å; F15-I19 WeakPolarHBondContact O-CG1 3.45Å; F15-I19 PolarHBondContact O-N 2.94Å; V16-I19 PolarHBondContact O-N 3.27Å; I19-I21 VanDerWaalsContact C-N 3.33Å; I19-I21 PolarHBondContact O-N 3.17Å; I19-I22 HydrophobicContact CD1-CD1 4.27Å; I19-I22 PolarHBondContact O-N 3.04Å; I19-V23 HydrophobicContact CG2-CG2 4.39Å; I19-V23 WeakPolarHBondContact O-CG2 3.32Å; I19-V23 PolarHBondContact O-N 3.46Å
20G97.6Very high96.5Very high15 Ų1534.7 Ų34.716%0.15520%0.196CC..Hα-helixtrans-56.5-44.4172.900000112.9V16 G17 W18 V23 T24V16-G20 PolarHBondContact O-N 2.7Å; G17-G20 WeakPolarHBondContact O-CA 3.36Å; G17-G20 PolarHBondContact O-N 3.25Å; G17-G20 VanDerWaalsContact O-N 3.11Å; W18-G20 VanDerWaalsContact C-N 3.26Å; W18-G20 PolarHBondContact O-N 3.15Å; G20-V23 PolarHBondContact O-N 3.42Å; G20-T24 PolarHBondContact O-N 2.92Å; G20-T24 PolarHBondContact O-OG1 3.24Å; G20-T24 VanDerWaalsContact O-OG1 3.1Å
21I98.1Very high96.6Very high0 Ų034.7 Ų34.70%020%0.196CC..Hα-helixtrans-64-39.9175.7-61.3-48.1000112.1G17 W18 I19 T25 M85 A88 L130 A134 G161 A165G17-I21 PolarHBondContact O-N 3.24Å; W18-I21 PolarHBondContact O-N 3.1Å; W18-I21 VanDerWaalsContact O-N 3.12Å; I19-I21 VanDerWaalsContact C-N 3.33Å; I19-I21 PolarHBondContact O-N 3.17Å; I21-T25 WeakPolarHBondContact O-CB 2.87Å; I21-T25 PolarHBondContact O-N 3.3Å; I21-T25 PolarHBondContact O-OG1 3.27Å; I21-M85 HydrophobicContact CG2-CE 3.98Å; I21-A88 HydrophobicContact CG2-CB 4.03Å; I21-L130 HydrophobicContact CG1-CD2 4.04Å; I21-A134 HydrophobicContact CD1-CB 3.57Å; I21-A134 HydrophobicContact CG1-CB 4.28Å; I21-A134 HydrophobicContact CG2-CB 4.42Å; I21-G161 WeakPolarHBondContact CD1-O 3.18Å; I21-A165 HydrophobicContact CD1-CB 4.27Å
22I97.9Very high96.5Very high60 Ų6034.1 Ų34.131%0.30820%0.195SC..Hα-helixtrans-61.8-47.7174.8-68.6169.5000110.1W18 I19 T25 S26W18-I22 HydrophobicContact CD2-CD1 3.93Å; W18-I22 HydrophobicContact CE3-CD1 4.17Å; W18-I22 HydrophobicContact CH2-CD1 3.98Å; W18-I22 HydrophobicContact CZ2-CD1 3.71Å; W18-I22 HydrophobicContact CZ3-CD1 4.19Å; W18-I22 WeakPolarHBondContact O-CG1 3.37Å; W18-I22 PolarHBondContact O-N 3.5Å; I19-I22 HydrophobicContact CD1-CD1 4.27Å; I19-I22 PolarHBondContact O-N 3.04Å; I22-T25 WeakPolarHBondContact O-CB 3.36Å; I22-T25 PolarHBondContact O-N 2.96Å; I22-S26 WeakPolarHBondContact O-CB 3.25Å; I22-S26 PolarHBondContact O-N 3.39Å; I22-S26 PolarHBondContact O-OG 3.27Å
23V97.3Very high96.4Very high58 Ų5830.7 Ų30.735%0.35217%0.174SC..Hα-helixtrans-57.3-53.5178.2171.40000110I19 G20 T25 S26 T27I19-V23 HydrophobicContact CG2-CG2 4.39Å; I19-V23 WeakPolarHBondContact O-CG2 3.32Å; I19-V23 PolarHBondContact O-N 3.46Å; G20-V23 PolarHBondContact O-N 3.42Å; V23-T25 PolarHBondContact O-N 3.38Å; V23-S26 WeakPolarHBondContact CA-OG 3.42Å; V23-S26 PolarHBondContact O-N 2.87Å; V23-S26 PolarHBondContact O-OG 3.21Å; V23-T27 HydrophobicContact CG1-CG2 4.14Å; V23-T27 WeakPolarHBondContact O-CG2 3.38Å; V23-T27 PolarHBondContact O-N 3.01Å; V23-T27 PolarHBondContact O-OG1 2.87Å
24T97.5Very high96.2Very high0 Ų029 Ų290%016%0.164CC..Hα-helixtrans-55.9-38.1176.7-63.10000113.3G20 W30 M85 T138 S157 A160 G161G20-T24 PolarHBondContact O-N 2.92Å; G20-T24 PolarHBondContact O-OG1 3.24Å; G20-T24 VanDerWaalsContact O-OG1 3.1Å; T24-W30 HydrophobicContact CG2-CH2 4.39Å; T24-W30 HydrophobicContact CG2-CZ2 3.67Å; T24-W30 PolarHBondContact O-NE1 3.23Å; T24-M85 HydrophobicContact CG2-CE 3.72Å; T24-T138 HydrophobicContact CG2-CG2 4.31Å; T24-S157 WeakPolarHBondContact CB-O 3.48Å; T24-S157 WeakPolarHBondContact CG2-O 3.34Å; T24-S157 PolarHBondContact OG1-O 2.88Å; T24-A160 VanDerWaalsContact OG1-C 3.31Å; T24-A160 WeakPolarHBondContact OG1-CB 3.36Å; T24-G161 WeakPolarHBondContact OG1-CA 3.05Å; T24-G161 PolarHBondContact OG1-N 3.4Å
25T96.9Very high95.6Very high13 Ų1333.5 Ų33.58%0.0820%0.195CC..Hα-helixtrans-67.9-40.1176.6-54.80000110.6I21 I22 V23 L52 W53 M85 S89I21-T25 WeakPolarHBondContact O-CB 2.87Å; I21-T25 PolarHBondContact O-N 3.3Å; I21-T25 PolarHBondContact O-OG1 3.27Å; I22-T25 WeakPolarHBondContact O-CB 3.36Å; I22-T25 PolarHBondContact O-N 2.96Å; V23-T25 PolarHBondContact O-N 3.38Å; T25-L52 HydrophobicContact CG2-CD2 4.32Å; T25-W53 HydrophobicContact CG2-CZ2 4.41Å; T25-W53 PolarHBondContact O-NE1 2.99Å; T25-M85 HydrophobicContact CG2-CB 3.94Å; T25-M85 WeakPolarHBondContact OG1-CE 3.36Å; T25-S89 PolarHBondContact OG1-OG 3.42Å
26S95.6Very high95Very high77 Ų7735.7 Ų35.754%0.53820%0.202SC..Hα-helixtrans-79.3-19.1-176.562.40000114.9I22 V23I22-S26 WeakPolarHBondContact O-CB 3.25Å; I22-S26 PolarHBondContact O-N 3.39Å; I22-S26 PolarHBondContact O-OG 3.27Å; V23-S26 WeakPolarHBondContact CA-OG 3.42Å; V23-S26 PolarHBondContact O-N 2.87Å; V23-S26 PolarHBondContact O-OG 3.21Å
27T94.5Very high94.4Very high24 Ų2436.1 Ų36.115%0.14721%0.205CC..  trans-97.7150.4-175.556.60000112.3V23 W30 Y156 S157V23-T27 HydrophobicContact CG1-CG2 4.14Å; V23-T27 WeakPolarHBondContact O-CG2 3.38Å; V23-T27 PolarHBondContact O-N 3.01Å; V23-T27 PolarHBondContact O-OG1 2.87Å; T27-W30 PolarHBondContact O-NE1 3.28Å; T27-Y156 HydrophobicContact CG2-CE2 3.86Å; T27-S157 WeakPolarHBondContact CB-OG 3.49Å; T27-S157 VanDerWaalsContact OG1-CB 3.22Å; T27-S157 WeakPolarHBondContact OG1-CB 3.29Å; T27-S157 PolarHBondContact OG1-OG 2.91Å
28N93Very high93.7Very high36 Ų3639.6 Ų39.619%0.19322%0.223CC..  trans-104.7-1.2-175.2-69.2-57.6000114.1W30 K50 G51 W53 A54N28-W30 VanDerWaalsContact C-N 3.3Å; N28-W30 PolarHBondContact O-N 3.41Å; N28-K50 CarbonylContact O-C 3.49Å; N28-G51 WeakPolarHBondContact O-CA 3.24Å; N28-G51 PolarHBondContact O-N 3.02Å; N28-W53 VanDerWaalsContact OD1-CA 3.26Å; N28-W53 WeakPolarHBondContact OD1-CA 3.33Å; N28-W53 WeakPolarHBondContact OD1-CB 3.3Å; N28-W53 PolarHBondContact OD1-N 3.03Å; N28-A54 HydrophobicContact CB-CB 4.25Å; N28-A54 PolarHBondContact OD1-N 3.35Å
29D93.5Very high93.1Very high37 Ų3741.5 Ų41.520%0.19824%0.239CC..  trans-90.370.1-179.9-60.8-64.7000110.6S49 G155 Y156 S157D29-S49 WeakPolarHBondContact CA-OG 3.41Å; D29-S49 PolarHBondContact OD1-OG 3.32Å; D29-G155 CarbonylContact O-C 3.25Å; D29-G155 VanDerWaalsContact O-C 3.25Å; D29-G155 WeakPolarHBondContact O-CA 3.3Å; D29-Y156 HydrophobicContact CB-CD1 3.75Å; D29-Y156 HydrophobicContact CB-CE1 3.27Å; D29-Y156 VanDerWaalsContact CG-CE1 3.49Å; D29-Y156 PolarHBondContact O-N 2.81Å; D29-Y156 WeakPolarHBondContact OD2-CE1 3.46Å; D29-Y156 VanDerWaalsContact OD2-CZ 3.31Å; D29-Y156 PolarHBondContact OD2-OH 2.94Å; D29-S157 PolarHBondContact N-OG 2.96Å; D29-S157 WeakPolarHBondContact O-CB 3.42Å; D29-S157 PolarHBondContact O-N 3.46Å; D29-S157 VanDerWaalsContact O-N 3.09Å; D29-S157 PolarHBondContact O-OG 3.43Å
30W96.2Very high92.5Very high0 Ų040 Ų400%023%0.234CC..SBendtrans-87.7-53.1178.8-80.249.8000110.9T24 T27 N28 K50 L52 M85 A137 T138 F141 G155 L158T24-W30 HydrophobicContact CG2-CH2 4.39Å; T24-W30 HydrophobicContact CG2-CZ2 3.67Å; T24-W30 PolarHBondContact O-NE1 3.23Å; T27-W30 PolarHBondContact O-NE1 3.28Å; N28-W30 VanDerWaalsContact C-N 3.3Å; N28-W30 PolarHBondContact O-N 3.41Å; W30-K50 WeakPolarHBondContact CB-O 3.21Å; W30-K50 PolarHBondContact N-O 2.94Å; W30-L52 HydrophobicContact CZ2-CB 4.47Å; W30-L52 HydrophobicContact CZ2-CD2 4.29Å; W30-M85 HydrophobicContact CH2-CE 4.38Å; W30-M85 HydrophobicContact CH2-CG 3.64Å; W30-M85 HydrophobicContact CH2-SD 3.85Å; W30-M85 HydrophobicContact CZ2-CE 4.22Å; W30-M85 HydrophobicContact CZ2-CG 3.93Å; W30-M85 HydrophobicContact CZ2-SD 4.25Å; W30-A137 HydrophobicContact CH2-CB 4.5Å; W30-T138 HydrophobicContact CH2-CG2 3.98Å; W30-T138 HydrophobicContact CZ3-CG2 4.12Å; W30-F141 HydrophobicContact CB-CD1 4.11Å; W30-F141 HydrophobicContact CB-CE1 3.85Å; W30-F141 HydrophobicContact CD2-CD1 4.37Å; W30-F141 HydrophobicContact CE3-CB 3.74Å; W30-F141 AromaticContact CE3-CD1 3.64Å; W30-F141 HydrophobicContact CE3-CD1 3.64Å; W30-F141 HydrophobicContact CE3-CD2 4.31Å; W30-F141 HydrophobicContact CE3-CE1 4.31Å; W30-F141 AromaticContact CE3-CG 3.64Å; W30-F141 HydrophobicContact CE3-CG 3.64Å; W30-F141 HydrophobicContact CG-CE1 4.49Å; W30-F141 HydrophobicContact CZ3-CB 3.7Å; W30-F141 HydrophobicContact CZ3-CD1 4.45Å; W30-F141 HydrophobicContact CZ3-CG 4.01Å; W30-G155 WeakPolarHBondContact O-CA 2.93Å; W30-G155 PolarHBondContact O-N 2.94Å; W30-L158 HydrophobicContact CB-CG 4.33Å; W30-L158 HydrophobicContact CD2-CD2 4.01Å; W30-L158 HydrophobicContact CE3-CD2 3.48Å; W30-L158 VanDerWaalsContact CE3-CD2 3.48Å; W30-L158 HydrophobicContact CE3-CG 4.42Å; W30-L158 HydrophobicContact CG-CD2 4.49Å; W30-L158 HydrophobicContact CZ3-CD2 3.95Å; W30-L158 WeakPolarHBondContact O-CD1 3.31Å; W30-L158 VanDerWaalsContact O-CG 3.31Å; W30-L158 WeakPolarHBondContact O-CG 2.99Å
31V95.7Very high92Very high0 Ų039.5 Ų39.50%023%0.228CC..EExtended strand (participates in β ladder)trans-133.4133.2178-61.70000110.8T33 S49 K50 F141 P142 A145 I151 F154 L158V31-T33 HydrophobicContact CB-CG2 4.47Å; V31-T33 HydrophobicContact CG2-CG2 3.85Å; V31-S49 WeakPolarHBondContact O-CA 3.25Å; V31-K50 HydrophobicContact CG2-CB 3.76Å; V31-K50 PolarHBondContact N-O 3.13Å; V31-K50 VanDerWaalsContact N-O 3.08Å; V31-K50 PolarHBondContact O-N 3.44Å; V31-F141 HydrophobicContact CG1-CD1 4.46Å; V31-F141 HydrophobicContact CG2-CE1 4.02Å; V31-P142 HydrophobicContact CG1-CB 3.77Å; V31-P142 HydrophobicContact CG1-CG 3.87Å; V31-A145 HydrophobicContact CG2-CB 4.04Å; V31-I151 HydrophobicContact CB-CD1 4.31Å; V31-I151 HydrophobicContact CB-CG2 4.42Å; V31-I151 HydrophobicContact CG1-CD1 4.13Å; V31-F154 HydrophobicContact CG1-CD1 4.44Å; V31-L158 HydrophobicContact CG1-CD1 3.95Å
32V94.2Very high91.2Very high20 Ų2048.7 Ų48.712%0.12126%0.262CS..EExtended strand (participates in β ladder)trans-90.6124.5173.4-177.80000108L47 G48 M58 V152 S153V32-L47 HydrophobicContact CG1-CB 4.23Å; V32-L47 HydrophobicContact CG1-CD2 3.46Å; V32-L47 VanDerWaalsContact CG1-CD2 3.46Å; V32-L47 HydrophobicContact CG1-CG 4.43Å; V32-G48 CarbonylContact C-O 3.59Å; V32-G48 WeakPolarHBondContact CA-O 3.5Å; V32-M58 HydrophobicContact CG1-CE 4.21Å; V32-V152 HydrophobicContact CG1-CB 4.5Å; V32-V152 PolarHBondContact O-N 3.48Å; V32-S153 WeakPolarHBondContact CB-OG 3.38Å; V32-S153 PolarHBondContact N-O 3.04Å; V32-S153 PolarHBondContact O-N 3.44Å
33T92.9Very high90.6Very high3 Ų354.5 Ų54.52%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-122161.1-17061.60000111.3V31 G48 K50 I149 T150 I151V31-T33 HydrophobicContact CB-CG2 4.47Å; V31-T33 HydrophobicContact CG2-CG2 3.85Å; T33-G48 PolarHBondContact N-O 2.91Å; T33-G48 PolarHBondContact O-N 3.48Å; T33-K50 HydrophobicContact CG2-CD 4.41Å; T33-K50 HydrophobicContact CG2-CG 4.22Å; T33-I149 HydrophobicContact CG2-CG2 3.52Å; T33-T150 WeakPolarHBondContact CA-O 3.32Å; T33-I151 HydrophobicContact CG2-CG1 4.5Å
34C91.9Very high89.9Confident1 Ų156.6 Ų56.61%0.00729%0.292CS..EExtended strand (participates in β ladder)trans-133.2122.5175.9163.60000108.4Y36 T37 C41 I149 T150 V152C34-Y36 VanDerWaalsContact C-N 3.27Å; C34-Y36 PolarHBondContact O-N 3.15Å; C34-Y36 VanDerWaalsContact SG-C 3.58Å; C34-Y36 PolarHBondContact SG-O 2.98Å; C34-T37 VanDerWaalsContact SG-C 3.55Å; C34-T37 PolarHBondContact SG-O 3.18Å; C34-T37 VanDerWaalsContact SG-O 3.36Å; C34-C41 WeakPolarHBondContact CA-SG 3.5Å; C34-C41 HydrophobicContact CB-CB 3.78Å; C34-C41 WeakPolarHBondContact CB-SG 3.25Å; C34-C41 WeakPolarHBondContact SG-CB 3.46Å; C34-C41 CovalentContact SG-SG 2.01Å; C34-C41 PolarHBondContact SG-SG 3.49Å; C34-I149 WeakPolarHBondContact O-CG1 3.23Å; C34-T150 PolarHBondContact N-O 3.22Å; C34-V152 HydrophobicContact CB-CG2 3.55Å
35S85.7Confident89.4Confident95 Ų9560.5 Ų60.566%0.66431%0.313SS*.SBendtrans-73.3-20.4-178.4-58.40000113.3
36Y84.3Confident88.9Confident131 Ų13163.7 Ų63.751%0.51433%0.327SS..SBendtrans-110-158179.5-58.1-73.5000110.6C34 T40 M44C34-Y36 VanDerWaalsContact C-N 3.27Å; C34-Y36 PolarHBondContact O-N 3.15Å; C34-Y36 VanDerWaalsContact SG-C 3.58Å; C34-Y36 PolarHBondContact SG-O 2.98Å; Y36-T40 HydrophobicContact CD2-CG2 4.29Å; Y36-T40 HydrophobicContact CG-CG2 4.04Å; Y36-M44 HydrophobicContact CE2-SD 4.43Å
37T85.1Confident88.7Confident83 Ų8362.2 Ų62.251%0.50931%0.313SS..  trans-72.1145.716573.40000109.9C34 P39 T40 C41C34-T37 VanDerWaalsContact SG-C 3.55Å; C34-T37 PolarHBondContact SG-O 3.18Å; C34-T37 VanDerWaalsContact SG-O 3.36Å; T37-P39 VanDerWaalsContact C-CD 3.45Å; T37-P39 VanDerWaalsContact C-N 3.31Å; T37-P39 WeakPolarHBondContact OG1-CG 3.17Å; T37-T40 WeakPolarHBondContact O-CA 3.05Å; T37-T40 VanDerWaalsContact O-CB 3.31Å; T37-T40 WeakPolarHBondContact O-CB 3.37Å; T37-T40 PolarHBondContact O-N 3Å; T37-T40 PolarHBondContact OG1-N 3.39Å; T37-T40 PolarHBondContact OG1-OG1 2.89Å; T37-C41 PolarHBondContact O-N 2.95Å
38I83.4Confident88.6Confident73 Ų7361.5 Ų61.537%0.37431%0.311SS..Hα-helixtrans-45.6-47.3176.2-61.7175000113.1T40 C41 R42 T150I38-T40 VanDerWaalsContact C-N 3.3Å; I38-T40 PolarHBondContact O-N 3.49Å; I38-C41 PolarHBondContact O-N 3.43Å; I38-R42 PolarHBondContact O-N 3.4Å; I38-R42 VanDerWaalsContact O-N 3.09Å; I38-T150 HydrophobicContact CD1-CG2 4.04Å; I38-T150 HydrophobicContact CG1-CG2 3.95Å
39P85.7Confident88.6Confident72 Ų7259.9 Ų59.947%0.46830%0.302SS..Hα-helixtrans-66.2-29.6177.425-34.2000113.4T37 K43T37-P39 VanDerWaalsContact C-CD 3.45Å; T37-P39 VanDerWaalsContact C-N 3.31Å; T37-P39 WeakPolarHBondContact OG1-CG 3.17Å; P39-K43 WeakPolarHBondContact O-CB 3.33Å; P39-K43 WeakPolarHBondContact O-CG 3.26Å; P39-K43 PolarHBondContact O-N 3.09Å; P39-K43 VanDerWaalsContact O-N 3.12Å
40T86.1Confident88.6Confident43 Ų4359.8 Ų59.826%0.26430%0.3SS..Hα-helixtrans-67.8-50174.7-550000111.1Y36 T37 I38 R42 K43 M44Y36-T40 HydrophobicContact CD2-CG2 4.29Å; Y36-T40 HydrophobicContact CG-CG2 4.04Å; T37-T40 WeakPolarHBondContact O-CA 3.05Å; T37-T40 VanDerWaalsContact O-CB 3.31Å; T37-T40 WeakPolarHBondContact O-CB 3.37Å; T37-T40 PolarHBondContact O-N 3Å; T37-T40 PolarHBondContact OG1-N 3.39Å; T37-T40 PolarHBondContact OG1-OG1 2.89Å; I38-T40 VanDerWaalsContact C-N 3.3Å; I38-T40 PolarHBondContact O-N 3.49Å; T40-R42 VanDerWaalsContact C-N 3.28Å; T40-R42 PolarHBondContact O-N 3.35Å; T40-K43 PolarHBondContact O-N 3.04Å; T40-M44 HydrophobicContact CG2-CE 4.02Å; T40-M44 HydrophobicContact CG2-CG 4.43Å; T40-M44 HydrophobicContact CG2-SD 3.97Å; T40-M44 PolarHBondContact O-N 2.98Å
41C85.7Confident88.5Confident4 Ų459.8 Ų59.83%0.02730%0.3CS..Hα-helixtrans-60.6-39.7179.3-67.50000111.9C34 T37 I38 K43 M44 D45 E46C34-C41 WeakPolarHBondContact CA-SG 3.5Å; C34-C41 HydrophobicContact CB-CB 3.78Å; C34-C41 WeakPolarHBondContact CB-SG 3.25Å; C34-C41 WeakPolarHBondContact SG-CB 3.46Å; C34-C41 CovalentContact SG-SG 2.01Å; C34-C41 PolarHBondContact SG-SG 3.49Å; T37-C41 PolarHBondContact O-N 2.95Å; I38-C41 PolarHBondContact O-N 3.43Å; C41-K43 VanDerWaalsContact C-N 3.32Å; C41-K43 PolarHBondContact O-N 3.45Å; C41-M44 PolarHBondContact O-N 3.47Å; C41-D45 WeakPolarHBondContact O-CA 3.28Å; C41-D45 PolarHBondContact O-N 2.85Å; C41-E46 VanDerWaalsContact CB-O 3.26Å; C41-E46 WeakPolarHBondContact CB-O 3.48Å; C41-E46 PolarHBondContact O-N 3.3Å; C41-E46 VanDerWaalsContact O-N 3.14Å
42R81.8Confident88.4Confident192 Ų19259.8 Ų59.873%0.72530%0.3SS*.Hα-helixtrans-65.1-34.6174.8-171.2-176-72.5155.2-3.9112.7I38 T40I38-R42 PolarHBondContact O-N 3.4Å; I38-R42 VanDerWaalsContact O-N 3.09Å; T40-R42 VanDerWaalsContact C-N 3.28Å; T40-R42 PolarHBondContact O-N 3.35Å
43K85.1Confident88.4Confident182 Ų18263.2 Ų63.279%0.79131%0.311SS*.Hα-helixtrans-73.7-37.3178.1-78.1174-177.5177.90112.9P39 T40 C41 D45P39-K43 WeakPolarHBondContact O-CB 3.33Å; P39-K43 WeakPolarHBondContact O-CG 3.26Å; P39-K43 PolarHBondContact O-N 3.09Å; P39-K43 VanDerWaalsContact O-N 3.12Å; T40-K43 PolarHBondContact O-N 3.04Å; C41-K43 VanDerWaalsContact C-N 3.32Å; C41-K43 PolarHBondContact O-N 3.45Å; K43-D45 VanDerWaalsContact C-N 3.28Å
44M84.2Confident88.4Confident102 Ų10263.5 Ų63.550%0.50231%0.314SS..Hα-helixtrans-82.1-12.7177.6-64.9-175169.800112.4Y36 T40 C41 E46Y36-M44 HydrophobicContact CE2-SD 4.43Å; T40-M44 HydrophobicContact CG2-CE 4.02Å; T40-M44 HydrophobicContact CG2-CG 4.43Å; T40-M44 HydrophobicContact CG2-SD 3.97Å; T40-M44 PolarHBondContact O-N 2.98Å; C41-M44 PolarHBondContact O-N 3.47Å; M44-E46 HydrophobicContact CB-CB 4.2Å; M44-E46 HydrophobicContact CB-CG 3.97Å; M44-E46 PolarHBondContact O-N 3.35Å
45D85.2Confident88.4Confident82 Ų8266.1 Ų66.144%0.43933%0.328SS..THydrogen-bonded Turntrans50.740.1-168.4-161.137000111.7C41 K43 A59 T60C41-D45 WeakPolarHBondContact O-CA 3.28Å; C41-D45 PolarHBondContact O-N 2.85Å; K43-D45 VanDerWaalsContact C-N 3.28Å; D45-A59 VanDerWaalsContact O-CA 3.24Å; D45-A59 WeakPolarHBondContact O-CA 3.36Å; D45-T60 HydrophobicContact CB-CG2 3.91Å; D45-T60 WeakPolarHBondContact OD2-CG2 3.35Å
46E87.2Confident88.7Confident80 Ų8062 Ų6237%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-113.9108.2178-69-168.8165.300109.1C41 M44 M58 A59C41-E46 VanDerWaalsContact CB-O 3.26Å; C41-E46 WeakPolarHBondContact CB-O 3.48Å; C41-E46 PolarHBondContact O-N 3.3Å; C41-E46 VanDerWaalsContact O-N 3.14Å; M44-E46 HydrophobicContact CB-CB 4.2Å; M44-E46 HydrophobicContact CB-CG 3.97Å; M44-E46 PolarHBondContact O-N 3.35Å; E46-M58 CarbonylContact C-O 3.52Å; E46-M58 WeakPolarHBondContact CA-O 3.42Å; E46-A59 HydrophobicContact CG-CB 3.76Å
47L91Very high89.1Confident46 Ų4659.3 Ų59.324%0.24130%0.296CS..EExtended strand (participates in β ladder)trans-116.8150.5174.1-73.787.3000110.1V32 M58V32-L47 HydrophobicContact CG1-CB 4.23Å; V32-L47 HydrophobicContact CG1-CD2 3.46Å; V32-L47 VanDerWaalsContact CG1-CD2 3.46Å; V32-L47 HydrophobicContact CG1-CG 4.43Å; L47-M58 HydrophobicContact CB-CE 3.98Å; L47-M58 PolarHBondContact N-O 3.33Å; L47-M58 WeakPolarHBondContact O-CA 3.36Å; L47-M58 PolarHBondContact O-N 3.38Å
48G92.2Very high89.3Confident10 Ų1057.7 Ų57.710%0.10328%0.283CS..EExtended strand (participates in β ladder)trans-97.1151.1167.100000110.6V32 T33 C56V32-G48 CarbonylContact C-O 3.59Å; V32-G48 WeakPolarHBondContact CA-O 3.5Å; T33-G48 PolarHBondContact N-O 2.91Å; T33-G48 PolarHBondContact O-N 3.48Å; G48-C56 CarbonylContact C-O 3.58Å; G48-C56 VanDerWaalsContact CA-O 3.32Å; G48-C56 WeakPolarHBondContact CA-O 3.38Å
49S93Very high89.5Confident1 Ų155.1 Ų55.11%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-122.4118.7163.3-169.30000107.1D29 V31 D55 C56D29-S49 WeakPolarHBondContact CA-OG 3.41Å; D29-S49 PolarHBondContact OD1-OG 3.32Å; V31-S49 WeakPolarHBondContact O-CA 3.25Å; S49-D55 CarbonylContact O-C 3.5Å; S49-D55 WeakPolarHBondContact O-CA 3.46Å; S49-C56 PolarHBondContact N-O 3.29Å; S49-C56 PolarHBondContact O-N 2.95Å
50K93.3Very high89.5Confident35 Ų3556.7 Ų56.715%0.15228%0.281CS..EExtended strand (participates in β ladder)trans-99.8134.8173.7-71.3-167.1167.1177.40109.3N28 W30 V31 T33 D55 E148 I149N28-K50 CarbonylContact O-C 3.49Å; W30-K50 WeakPolarHBondContact CB-O 3.21Å; W30-K50 PolarHBondContact N-O 2.94Å; V31-K50 HydrophobicContact CG2-CB 3.76Å; V31-K50 PolarHBondContact N-O 3.13Å; V31-K50 VanDerWaalsContact N-O 3.08Å; V31-K50 PolarHBondContact O-N 3.44Å; T33-K50 HydrophobicContact CG2-CD 4.41Å; T33-K50 HydrophobicContact CG2-CG 4.22Å; K50-D55 WeakPolarHBondContact CA-OD1 3.16Å; K50-D55 WeakPolarHBondContact CG-OD1 3.44Å; K50-E148 IonicContact NZ-OE2 3.09Å; K50-E148 PolarHBondContact NZ-OE2 3.09Å; K50-E148 VanDerWaalsContact NZ-OE2 3.09Å; K50-I149 HydrophobicContact CD-CG2 4.25Å
51G93.7Very high89.4Confident1 Ų159 Ų591%0.0131%0.313CS..  trans-130.6179.6-175.700000113.7N28 A54 F141N28-G51 WeakPolarHBondContact O-CA 3.24Å; N28-G51 PolarHBondContact O-N 3.02Å; G51-A54 WeakPolarHBondContact CA-O 3.26Å; G51-A54 PolarHBondContact N-O 2.62Å; G51-F141 WeakPolarHBondContact O-CZ 3.44Å
52L93.5Very high89.5Confident0 Ų062.4 Ų62.40%033%0.331CS..SBendtrans-70.3-38.3176.3-165.263.5000111.4T25 W30 C81 R82 M85T25-L52 HydrophobicContact CG2-CD2 4.32Å; W30-L52 HydrophobicContact CZ2-CB 4.47Å; W30-L52 HydrophobicContact CZ2-CD2 4.29Å; L52-C81 HydrophobicContact CD1-CB 3.98Å; L52-R82 HydrophobicContact CD1-CB 4.23Å; L52-R82 HydrophobicContact CD1-CG 3.48Å; L52-R82 VanDerWaalsContact CD1-CG 3.48Å; L52-R82 HydrophobicContact CD2-CG 4.14Å; L52-R82 HydrophobicContact CG-CB 4.46Å; L52-R82 HydrophobicContact CG-CG 3.52Å; L52-R82 PolarHBondContact O-NE 2.88Å; L52-R82 PolarHBondContact O-NH2 2.88Å; L52-M85 HydrophobicContact CD2-CB 4.03Å; L52-M85 HydrophobicContact CD2-CG 4.22Å
53W94.3Very high89.9Confident92 Ų9259 Ų5935%0.34832%0.323SS..SBendtrans-115.3-21.1-172.3-50100.8000114.7T25 N28 L68 R82 I86T25-W53 HydrophobicContact CG2-CZ2 4.41Å; T25-W53 PolarHBondContact O-NE1 2.99Å; N28-W53 VanDerWaalsContact OD1-CA 3.26Å; N28-W53 WeakPolarHBondContact OD1-CA 3.33Å; N28-W53 WeakPolarHBondContact OD1-CB 3.3Å; N28-W53 PolarHBondContact OD1-N 3.03Å; W53-L68 PolarHBondContact O-N 3.11Å; W53-R82 HydrophobicContact CH2-CG 4.39Å; W53-R82 HydrophobicContact CZ3-CG 4.33Å; W53-I86 HydrophobicContact CH2-CD1 3.68Å; W53-I86 HydrophobicContact CH2-CG1 4.19Å; W53-I86 HydrophobicContact CZ2-CD1 4.21Å; W53-I86 HydrophobicContact CZ2-CG1 4.23Å
54A93.4Very high90.3Very high9 Ų956 Ų567%0.07431%0.311CS..EExtended strand (participates in β ladder)trans-146.4147.5-178.500000111.2N28 G51 C65 K66 L68N28-A54 HydrophobicContact CB-CB 4.25Å; N28-A54 PolarHBondContact OD1-N 3.35Å; G51-A54 WeakPolarHBondContact CA-O 3.26Å; G51-A54 PolarHBondContact N-O 2.62Å; A54-C65 HydrophobicContact CB-CB 4.31Å; A54-K66 WeakPolarHBondContact CA-O 3.03Å; A54-L68 VanDerWaalsContact CA-CD1 3.41Å
55D92Very high90.7Very high56 Ų5654.1 Ų54.130%0.29931%0.307SS..EExtended strand (participates in β ladder)trans-107.9122.9169-75.1-19.6000106.8S49 K50 K66 L68S49-D55 CarbonylContact O-C 3.5Å; S49-D55 WeakPolarHBondContact O-CA 3.46Å; K50-D55 WeakPolarHBondContact CA-OD1 3.16Å; K50-D55 WeakPolarHBondContact CG-OD1 3.44Å; D55-K66 PolarHBondContact N-O 3.45Å; D55-K66 PolarHBondContact O-N 2.9Å; D55-L68 HydrophobicContact CB-CD1 3.77Å
56C93.3Very high91Very high7 Ų757.4 Ų57.45%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-110.5143.7-177.4-52.90000111.2G48 S49 H64 C65G48-C56 CarbonylContact C-O 3.58Å; G48-C56 VanDerWaalsContact CA-O 3.32Å; G48-C56 WeakPolarHBondContact CA-O 3.38Å; S49-C56 PolarHBondContact N-O 3.29Å; S49-C56 PolarHBondContact O-N 2.95Å; C56-H64 CarbonylContact C-O 3.34Å; C56-H64 VanDerWaalsContact CA-O 3.27Å; C56-H64 WeakPolarHBondContact CA-O 3.39Å; C56-C65 HydrophobicContact CB-CB 4.07Å; C56-C65 WeakPolarHBondContact CB-SG 3.43Å; C56-C65 WeakPolarHBondContact SG-CB 3.35Å; C56-C65 CovalentContact SG-SG 2.04Å; C56-C65 PolarHBondContact SG-SG 3.08Å
57V91.9Very high91.3Very high76 Ų7657.3 Ų57.346%0.46132%0.324SS..EExtended strand (participates in β ladder)trans-107.1126.7166.5-178.40000107.1H64V57-H64 PolarHBondContact N-O 3.23Å; V57-H64 PolarHBondContact O-N 3.29Å; V57-H64 VanDerWaalsContact O-N 3.08Å
58M89.8Confident91.2Very high49 Ų4956.5 Ų56.524%0.24132%0.32CS..EExtended strand (participates in β ladder)trans-115.4105.8-179.5-58.7178.5-6800107.3V32 E46 L47V32-M58 HydrophobicContact CG1-CE 4.21Å; E46-M58 CarbonylContact C-O 3.52Å; E46-M58 WeakPolarHBondContact CA-O 3.42Å; L47-M58 HydrophobicContact CB-CE 3.98Å; L47-M58 PolarHBondContact N-O 3.33Å; L47-M58 WeakPolarHBondContact O-CA 3.36Å; L47-M58 PolarHBondContact O-N 3.38Å
59A86.9Confident90.7Very high19 Ų1960.8 Ų60.816%0.15734%0.344CS..EExtended strand (participates in β ladder)trans-124.7165.8171.300000110.8D45 E46 G61 L62D45-A59 VanDerWaalsContact O-CA 3.24Å; D45-A59 WeakPolarHBondContact O-CA 3.36Å; E46-A59 HydrophobicContact CG-CB 3.76Å; A59-G61 PolarHBondContact O-N 2.63Å; A59-L62 HydrophobicContact CB-CB 4Å; A59-L62 PolarHBondContact N-O 2.85Å; A59-L62 PolarHBondContact O-N 3.12Å
60T86.1Confident90.2Very high105 Ų10565.2 Ų65.264%0.64437%0.367SS*.THydrogen-bonded Turntrans-53115.3170.947.80000111.1D45 L62D45-T60 HydrophobicContact CB-CG2 3.91Å; D45-T60 WeakPolarHBondContact OD2-CG2 3.35Å; T60-L62 PolarHBondContact O-N 3.3Å
61G84.1Confident89.3Confident90 Ų9068.7 Ų68.793%0.92839%0.387SS*.THydrogen-bonded Turntrans74.45.5-179.300000115.5A59A59-G61 PolarHBondContact O-N 2.63Å
62L87.3Confident88.3Confident77 Ų7777 Ų7740%0.40343%0.43SS..EExtended strand (participates in β ladder)trans-132.4112.9-179.8-157.971.9000110.7A59 T60 H64A59-L62 HydrophobicContact CB-CB 4Å; A59-L62 PolarHBondContact N-O 2.85Å; A59-L62 PolarHBondContact O-N 3.12Å; T60-L62 PolarHBondContact O-N 3.3Å; L62-H64 WeakPolarHBondContact CD1-CD2 3.35Å; L62-H64 WeakPolarHBondContact CD1-NE2 3.42Å; L62-H64 WeakPolarHBondContact CG-CD2 3.34Å
63H90.1Very high87.5Confident120 Ų12083.7 Ų83.756%0.55646%0.464SS*.EExtended strand (participates in β ladder)trans-125.893.4171.2-170.8-78.5000108.9C65H63-C65 VanDerWaalsContact CE1-SG 3.56Å
64H92.7Very high86.9Confident119 Ų11980.3 Ų80.355%0.55145%0.453SS*.EExtended strand (participates in β ladder)trans-117.6124.7-177-74-45000110.7C56 V57 L62C56-H64 CarbonylContact C-O 3.34Å; C56-H64 VanDerWaalsContact CA-O 3.27Å; C56-H64 WeakPolarHBondContact CA-O 3.39Å; V57-H64 PolarHBondContact N-O 3.23Å; V57-H64 PolarHBondContact O-N 3.29Å; V57-H64 VanDerWaalsContact O-N 3.08Å; L62-H64 WeakPolarHBondContact CD1-CD2 3.35Å; L62-H64 WeakPolarHBondContact CD1-NE2 3.42Å; L62-H64 WeakPolarHBondContact CG-CD2 3.34Å
65C93.4Very high86.5Confident62 Ų6282 Ų8242%0.41946%0.463SS..EExtended strand (participates in β ladder)trans-110.5124.8175.9-640000110A54 C56 H63A54-C65 HydrophobicContact CB-CB 4.31Å; C56-C65 HydrophobicContact CB-CB 4.07Å; C56-C65 WeakPolarHBondContact CB-SG 3.43Å; C56-C65 WeakPolarHBondContact SG-CB 3.35Å; C56-C65 CovalentContact SG-SG 2.04Å; C56-C65 PolarHBondContact SG-SG 3.08Å; H63-C65 VanDerWaalsContact CE1-SG 3.56Å
66K92.4Very high86.4Confident152 Ų15282.1 Ų82.166%0.66148%0.477SS*.EExtended strand (participates in β ladder)trans-93.7121170.5-176.9179177.1-176.70108.3A54 D55 L68A54-K66 WeakPolarHBondContact CA-O 3.03Å; D55-K66 PolarHBondContact N-O 3.45Å; D55-K66 PolarHBondContact O-N 2.9Å; K66-L68 WeakPolarHBondContact O-CD1 3.44Å
67P91.9Very high86.3Confident77 Ų7783.2 Ų83.250%0.548%0.481SS..EExtended strand (participates in β ladder)trans-73.4140177.532.4-36000110.8V69P67-V69 VanDerWaalsContact C-N 3.34Å; P67-V69 HydrophobicContact CB-CG1 4.08Å; P67-V69 HydrophobicContact CG-CG1 4.4Å; P67-V69 PolarHBondContact O-N 2.82Å
68L88.9Confident86.3Confident29 Ų2979.7 Ų79.715%0.15246%0.46CS..  trans-92.768.6-178.2-82.773.1000108.8W53 A54 D55 K66 L74 R82W53-L68 PolarHBondContact O-N 3.11Å; A54-L68 VanDerWaalsContact CA-CD1 3.41Å; D55-L68 HydrophobicContact CB-CD1 3.77Å; K66-L68 WeakPolarHBondContact O-CD1 3.44Å; L68-L74 HydrophobicContact CB-CD1 3.73Å; L68-L74 HydrophobicContact CD2-CD1 3.34Å; L68-L74 HydrophobicContact CG-CD1 3.85Å; L68-R82 PolarHBondContact O-NH1 2.87Å; L68-R82 PolarHBondContact O-NH2 3.35Å
69V83.3Confident86.5Confident100 Ų10080.8 Ų80.861%0.60646%0.464SS*.  trans-85.9-25.9-177.1-64.50000113.4P67 I71P67-V69 VanDerWaalsContact C-N 3.34Å; P67-V69 HydrophobicContact CB-CG1 4.08Å; P67-V69 HydrophobicContact CG-CG1 4.4Å; P67-V69 PolarHBondContact O-N 2.82Å; V69-I71 PolarHBondContact O-N 3.39Å
70D81.3Confident86.8Confident94 Ų9482.2 Ų82.250%0.50348%0.476SS..  trans-79.785.2-175.1-61.7-42000110.9L72 I73 L74D70-L72 PolarHBondContact O-N 3.28Å; D70-L72 VanDerWaalsContact O-N 3.09Å; D70-I73 HydrophobicContact CB-CB 4.09Å; D70-I73 HydrophobicContact CB-CD1 3.92Å; D70-I73 HydrophobicContact CB-CG1 4.13Å; D70-I73 PolarHBondContact O-N 3.28Å; D70-L74 PolarHBondContact O-N 3.32Å; D70-L74 VanDerWaalsContact O-N 3.1Å
71I74.8Confident87.3Confident109 Ų10977.3 Ų77.356%0.55945%0.446SS*.THydrogen-bonded Turntrans-54.4-32.7-177.4-59.7171.1000111.9V69 I73V69-I71 PolarHBondContact O-N 3.39Å; I71-I73 VanDerWaalsContact C-N 3.34Å
72L72.7Confident87.8Confident176 Ų17673.7 Ų73.792%0.92140%0.404SS*.THydrogen-bonded Turntrans-73.1-25.5-179.1-167.364.2000113.5D70D70-L72 PolarHBondContact O-N 3.28Å; D70-L72 VanDerWaalsContact O-N 3.09Å
73I76.7Confident88.2Confident139 Ų13972.8 Ų72.871%0.71341%0.408SS*.THydrogen-bonded Turntrans-95.5-16.9-178.8-57.7173.7000110.4D70 I71D70-I73 HydrophobicContact CB-CB 4.09Å; D70-I73 HydrophobicContact CB-CD1 3.92Å; D70-I73 HydrophobicContact CB-CG1 4.13Å; D70-I73 PolarHBondContact O-N 3.28Å; I71-I73 VanDerWaalsContact C-N 3.34Å
74L81.6Confident88.6Confident21 Ų2169.5 Ų69.511%0.1139%0.394CS..SBendtrans-68.1135.3-176.4-161.172.1000111.6L68 D70 G76 A78 Q79 R82L68-L74 HydrophobicContact CB-CD1 3.73Å; L68-L74 HydrophobicContact CD2-CD1 3.34Å; L68-L74 HydrophobicContact CG-CD1 3.85Å; D70-L74 PolarHBondContact O-N 3.32Å; D70-L74 VanDerWaalsContact O-N 3.1Å; L74-G76 PolarHBondContact O-N 3.4Å; L74-A78 HydrophobicContact CD1-CB 4.37Å; L74-A78 HydrophobicContact CD2-CB 4.03Å; L74-A78 HydrophobicContact CG-CB 3.97Å; L74-Q79 HydrophobicContact CD2-CB 4.28Å; L74-R82 VanDerWaalsContact CD2-CZ 3.46Å
75P86Confident88.8Confident44 Ų4463.9 Ų63.929%0.28637%0.368SS..  trans-61.9138.6175.526.9-35.3000110.7Y77 A78 Q79P75-Y77 HydrophobicContact CB-CD1 3.68Å; P75-Y77 HydrophobicContact CB-CE1 3.38Å; P75-Y77 HydrophobicContact CG-CD1 4.16Å; P75-Y77 HydrophobicContact CG-CE1 3.54Å; P75-Y77 PolarHBondContact O-N 3.36Å; P75-Y77 VanDerWaalsContact O-N 3.08Å; P75-A78 HydrophobicContact CG-CB 3.99Å; P75-A78 WeakPolarHBondContact O-CB 3.32Å; P75-A78 PolarHBondContact O-N 3.47Å; P75-Q79 PolarHBondContact O-N 3.41Å
76G89.4Confident89Confident59 Ų5964.3 Ų64.361%0.60837%0.366SS*.Hα-helixtrans-56.9-31.5-17200000114.4L74 A78 Q79 A80L74-G76 PolarHBondContact O-N 3.4Å; G76-A78 VanDerWaalsContact C-N 3.34Å; G76-A78 PolarHBondContact O-N 2.99Å; G76-Q79 PolarHBondContact O-N 2.89Å; G76-A80 PolarHBondContact O-N 3.19Å
77Y91.3Very high89.2Confident31 Ų3159 Ų5912%0.12235%0.35CS..Hα-helixtrans-65.1-36.917673.8-93.5000112.5P75 A80 C81 F141 C144 E148P75-Y77 HydrophobicContact CB-CD1 3.68Å; P75-Y77 HydrophobicContact CB-CE1 3.38Å; P75-Y77 HydrophobicContact CG-CD1 4.16Å; P75-Y77 HydrophobicContact CG-CE1 3.54Å; P75-Y77 PolarHBondContact O-N 3.36Å; P75-Y77 VanDerWaalsContact O-N 3.08Å; Y77-A80 PolarHBondContact O-N 3.42Å; Y77-C81 WeakPolarHBondContact O-CB 3.5Å; Y77-C81 PolarHBondContact O-N 2.94Å; Y77-C81 PolarHBondContact O-SG 3.32Å; Y77-F141 HydrophobicContact CD2-CD2 4.19Å; Y77-F141 AromaticContact CE2-CD2 3.98Å; Y77-F141 HydrophobicContact CE2-CD2 3.98Å; Y77-F141 HydrophobicContact CE2-CE2 4.09Å; Y77-F141 HydrophobicContact CE2-CG 4.48Å; Y77-C144 HydrophobicContact CD1-CB 3.62Å; Y77-C144 HydrophobicContact CD2-CB 3.47Å; Y77-C144 VanDerWaalsContact CD2-CB 3.47Å; Y77-C144 HydrophobicContact CE1-CB 3.9Å; Y77-C144 HydrophobicContact CE2-CB 3.78Å; Y77-C144 HydrophobicContact CG-CB 3.4Å; Y77-E148 VanDerWaalsContact CE1-OE1 3.32Å; Y77-E148 WeakPolarHBondContact CE1-OE1 3.34Å; Y77-E148 PolarHBondContact OH-OE2 2.04Å; Y77-E148 VanDerWaalsContact OH-OE2 3.13Å
78A92.2Very high89.5Confident2 Ų255.3 Ų55.32%0.01733%0.326CS..Hα-helixtrans-69.2-39.5-179.900000110.4L74 P75 G76 C81 R82 F141L74-A78 HydrophobicContact CD1-CB 4.37Å; L74-A78 HydrophobicContact CD2-CB 4.03Å; L74-A78 HydrophobicContact CG-CB 3.97Å; P75-A78 HydrophobicContact CG-CB 3.99Å; P75-A78 WeakPolarHBondContact O-CB 3.32Å; P75-A78 PolarHBondContact O-N 3.47Å; G76-A78 VanDerWaalsContact C-N 3.34Å; G76-A78 PolarHBondContact O-N 2.99Å; A78-C81 PolarHBondContact O-N 3.11Å; A78-R82 WeakPolarHBondContact O-CG 3.49Å; A78-R82 PolarHBondContact O-N 3.04Å; A78-F141 HydrophobicContact CB-CE2 4.29Å
79Q92.7Very high89.8Confident72 Ų7255 Ų5534%0.33633%0.326SS..Hα-helixtrans-64.9-40.9173.7-171.465.6200112.2L74 P75 G76 R82 A83L74-Q79 HydrophobicContact CD2-CB 4.28Å; P75-Q79 PolarHBondContact O-N 3.41Å; G76-Q79 PolarHBondContact O-N 2.89Å; Q79-R82 WeakPolarHBondContact O-CB 3.28Å; Q79-R82 PolarHBondContact O-N 2.96Å; Q79-A83 PolarHBondContact O-N 3.45Å
80A93.9Very high90.5Very high49 Ų4954.7 Ų54.741%0.40533%0.325SS..Hα-helixtrans-63.7-43.6174.900000111.8G76 Y77 R82 A83 L84G76-A80 PolarHBondContact O-N 3.19Å; Y77-A80 PolarHBondContact O-N 3.42Å; A80-R82 VanDerWaalsContact C-N 3.31Å; A80-R82 PolarHBondContact O-N 3.12Å; A80-A83 PolarHBondContact O-N 3.44Å; A80-L84 WeakPolarHBondContact O-CG 3.3Å; A80-L84 PolarHBondContact O-N 3.4Å
81C95.8Very high91.2Very high1 Ų152.9 Ų52.91%0.00732%0.315CS..Hα-helixtrans-63.1-37.9175.9-66.30000111.6L52 Y77 A78 L84 M85 A137 F141L52-C81 HydrophobicContact CD1-CB 3.98Å; Y77-C81 WeakPolarHBondContact O-CB 3.5Å; Y77-C81 PolarHBondContact O-N 2.94Å; Y77-C81 PolarHBondContact O-SG 3.32Å; A78-C81 PolarHBondContact O-N 3.11Å; C81-L84 PolarHBondContact O-N 3.3Å; C81-M85 WeakPolarHBondContact O-CB 3.42Å; C81-M85 WeakPolarHBondContact O-CG 3.31Å; C81-M85 PolarHBondContact O-N 3.5Å; C81-A137 HydrophobicContact CB-CB 4.28Å; C81-F141 HydrophobicContact CB-CB 4.48Å; C81-F141 HydrophobicContact CB-CD2 4.2Å
82R95.5Very high92.2Very high14 Ų1447.7 Ų47.75%0.05329%0.288CS..Hα-helixtrans-57.7-52.9173.3-80.4172.4-177.5-169.9-1.4110.7L52 W53 L68 L74 A78 Q79 A80 L84 M85 I86L52-R82 HydrophobicContact CD1-CB 4.23Å; L52-R82 HydrophobicContact CD1-CG 3.48Å; L52-R82 VanDerWaalsContact CD1-CG 3.48Å; L52-R82 HydrophobicContact CD2-CG 4.14Å; L52-R82 HydrophobicContact CG-CB 4.46Å; L52-R82 HydrophobicContact CG-CG 3.52Å; L52-R82 PolarHBondContact O-NE 2.88Å; L52-R82 PolarHBondContact O-NH2 2.88Å; W53-R82 HydrophobicContact CH2-CG 4.39Å; W53-R82 HydrophobicContact CZ3-CG 4.33Å; L68-R82 PolarHBondContact O-NH1 2.87Å; L68-R82 PolarHBondContact O-NH2 3.35Å; L74-R82 VanDerWaalsContact CD2-CZ 3.46Å; A78-R82 WeakPolarHBondContact O-CG 3.49Å; A78-R82 PolarHBondContact O-N 3.04Å; Q79-R82 WeakPolarHBondContact O-CB 3.28Å; Q79-R82 PolarHBondContact O-N 2.96Å; A80-R82 VanDerWaalsContact C-N 3.31Å; A80-R82 PolarHBondContact O-N 3.12Å; R82-L84 VanDerWaalsContact C-N 3.32Å; R82-L84 PolarHBondContact O-N 3.04Å; R82-M85 PolarHBondContact O-N 3.26Å; R82-I86 HydrophobicContact CB-CD1 4.49Å; R82-I86 WeakPolarHBondContact O-CB 3.5Å; R82-I86 WeakPolarHBondContact O-CD1 3.39Å; R82-I86 WeakPolarHBondContact O-CG1 3.49Å; R82-I86 PolarHBondContact O-N 3.26Å
83A95.6Very high93.3Very high59 Ų5943.8 Ų43.849%0.48827%0.267SS..Hα-helixtrans-58.5-44.5-18000000111.7Q79 A80 A87Q79-A83 PolarHBondContact O-N 3.45Å; A80-A83 PolarHBondContact O-N 3.44Å; A83-A87 WeakPolarHBondContact O-CB 2.87Å; A83-A87 PolarHBondContact O-N 3.09Å
84L97.4Very high94.3Very high51 Ų5139.6 Ų39.627%0.26725%0.249SC..Hα-helixtrans-63.8-44.8178.5-73.3173.5000113A80 C81 R82 A87 A88 C133 V136 A137A80-L84 WeakPolarHBondContact O-CG 3.3Å; A80-L84 PolarHBondContact O-N 3.4Å; C81-L84 PolarHBondContact O-N 3.3Å; R82-L84 VanDerWaalsContact C-N 3.32Å; R82-L84 PolarHBondContact O-N 3.04Å; L84-A87 PolarHBondContact O-N 3.37Å; L84-A88 VanDerWaalsContact O-CB 3.27Å; L84-A88 WeakPolarHBondContact O-CB 3.38Å; L84-A88 PolarHBondContact O-N 3.4Å; L84-C133 HydrophobicContact CD2-CB 4.34Å; L84-V136 HydrophobicContact CD1-CB 4.3Å; L84-V136 HydrophobicContact CD1-CG1 3.74Å; L84-A137 HydrophobicContact CB-CB 3.88Å; L84-A137 HydrophobicContact CD1-CB 4.15Å
85M97.7Very high95Very high0 Ų038.6 Ų38.60%024%0.244CC..Hα-helixtrans-70.6-37.5-179.8-69.8-58.5-59.100112.6I21 T24 T25 W30 L52 C81 R82 S89 A134 A137 T138I21-M85 HydrophobicContact CG2-CE 3.98Å; T24-M85 HydrophobicContact CG2-CE 3.72Å; T25-M85 HydrophobicContact CG2-CB 3.94Å; T25-M85 WeakPolarHBondContact OG1-CE 3.36Å; W30-M85 HydrophobicContact CH2-CE 4.38Å; W30-M85 HydrophobicContact CH2-CG 3.64Å; W30-M85 HydrophobicContact CH2-SD 3.85Å; W30-M85 HydrophobicContact CZ2-CE 4.22Å; W30-M85 HydrophobicContact CZ2-CG 3.93Å; W30-M85 HydrophobicContact CZ2-SD 4.25Å; L52-M85 HydrophobicContact CD2-CB 4.03Å; L52-M85 HydrophobicContact CD2-CG 4.22Å; C81-M85 WeakPolarHBondContact O-CB 3.42Å; C81-M85 WeakPolarHBondContact O-CG 3.31Å; C81-M85 PolarHBondContact O-N 3.5Å; R82-M85 PolarHBondContact O-N 3.26Å; M85-S89 WeakPolarHBondContact O-CB 3.34Å; M85-S89 PolarHBondContact O-N 2.82Å; M85-S89 PolarHBondContact O-OG 2.89Å; M85-A134 HydrophobicContact SD-CB 4.27Å; M85-A137 HydrophobicContact CG-CB 3.75Å; M85-A137 HydrophobicContact SD-CB 3.68Å; M85-T138 HydrophobicContact SD-CG2 4.36Å
86I97.3Very high95.5Very high72 Ų7236.9 Ų36.937%0.36923%0.232SC..Hα-helixtrans-65.9-46.5172.9-64.2163.4000109.9W53 R82 A88 S89 V90W53-I86 HydrophobicContact CH2-CD1 3.68Å; W53-I86 HydrophobicContact CH2-CG1 4.19Å; W53-I86 HydrophobicContact CZ2-CD1 4.21Å; W53-I86 HydrophobicContact CZ2-CG1 4.23Å; R82-I86 HydrophobicContact CB-CD1 4.49Å; R82-I86 WeakPolarHBondContact O-CB 3.5Å; R82-I86 WeakPolarHBondContact O-CD1 3.39Å; R82-I86 WeakPolarHBondContact O-CG1 3.49Å; R82-I86 PolarHBondContact O-N 3.26Å; I86-A88 VanDerWaalsContact C-N 3.34Å; I86-A88 PolarHBondContact O-N 2.95Å; I86-S89 PolarHBondContact O-N 3.37Å; I86-V90 HydrophobicContact CG2-CG2 4.28Å; I86-V90 WeakPolarHBondContact O-CG2 3.45Å; I86-V90 PolarHBondContact O-N 2.9Å
87A97.3Very high95.8Very high40 Ų4038.6 Ų38.633%0.33123%0.227SC..Hα-helixtrans-59.9-45.2177.200000111.1A83 L84 S89 V90 L91A83-A87 WeakPolarHBondContact O-CB 2.87Å; A83-A87 PolarHBondContact O-N 3.09Å; L84-A87 PolarHBondContact O-N 3.37Å; A87-S89 PolarHBondContact O-N 2.95Å; A87-V90 PolarHBondContact O-N 3.48Å; A87-L91 VanDerWaalsContact O-CB 3.27Å; A87-L91 WeakPolarHBondContact O-CB 3.49Å; A87-L91 WeakPolarHBondContact O-CG 3.4Å; A87-L91 PolarHBondContact O-N 3.32Å
88A97.3Very high95.9Very high0 Ų038.9 Ų38.90%023%0.231CC..Hα-helixtrans-55.5-52.8172.400000110.6I21 L84 I86 V90 L91 G92 L130 C133 A134I21-A88 HydrophobicContact CG2-CB 4.03Å; L84-A88 VanDerWaalsContact O-CB 3.27Å; L84-A88 WeakPolarHBondContact O-CB 3.38Å; L84-A88 PolarHBondContact O-N 3.4Å; I86-A88 VanDerWaalsContact C-N 3.34Å; I86-A88 PolarHBondContact O-N 2.95Å; A88-V90 VanDerWaalsContact C-N 3.34Å; A88-V90 PolarHBondContact O-N 2.87Å; A88-L91 PolarHBondContact O-N 2.99Å; A88-G92 PolarHBondContact O-N 3.41Å; A88-L130 HydrophobicContact CB-CG 4.06Å; A88-L130 WeakPolarHBondContact O-CD1 3.27Å; A88-L130 WeakPolarHBondContact O-CG 3.27Å; A88-C133 HydrophobicContact CB-CB 4.01Å; A88-A134 HydrophobicContact CB-CB 4.47Å
89S96.9Very high95.9Very high21 Ų2139 Ų3915%0.14723%0.231CC..Hα-helixtrans-57.5-44.1179.5-61.40000112.8W18 T25 M85 I86 A87W18-S89 PolarHBondContact NE1-O 2.89Å; T25-S89 PolarHBondContact OG1-OG 3.42Å; M85-S89 WeakPolarHBondContact O-CB 3.34Å; M85-S89 PolarHBondContact O-N 2.82Å; M85-S89 PolarHBondContact O-OG 2.89Å; I86-S89 PolarHBondContact O-N 3.37Å; A87-S89 PolarHBondContact O-N 2.95Å
90V97.2Very high95.9Very high95 Ų9538.3 Ų38.358%0.57623%0.229SC*.Hα-helixtrans-71-40.8-179.9172.90000112I86 A87 A88 G92 L93 P94I86-V90 HydrophobicContact CG2-CG2 4.28Å; I86-V90 WeakPolarHBondContact O-CG2 3.45Å; I86-V90 PolarHBondContact O-N 2.9Å; A87-V90 PolarHBondContact O-N 3.48Å; A88-V90 VanDerWaalsContact C-N 3.34Å; A88-V90 PolarHBondContact O-N 2.87Å; V90-G92 PolarHBondContact O-N 2.96Å; V90-L93 PolarHBondContact O-N 2.88Å; V90-P94 WeakPolarHBondContact O-CD 3.44Å
91L95.8Very high95.8Very high56 Ų5637.2 Ų37.229%0.29322%0.218SC..Hα-helixtrans-64.7-26.3178.8-75.5173000112.9A87 A88 L93 P94 G95 L126 L130A87-L91 VanDerWaalsContact O-CB 3.27Å; A87-L91 WeakPolarHBondContact O-CB 3.49Å; A87-L91 WeakPolarHBondContact O-CG 3.4Å; A87-L91 PolarHBondContact O-N 3.32Å; A88-L91 PolarHBondContact O-N 2.99Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-P94 VanDerWaalsContact O-CD 3.3Å; L91-P94 WeakPolarHBondContact O-CD 3.13Å; L91-P94 WeakPolarHBondContact O-CG 3.35Å; L91-G95 PolarHBondContact O-N 2.91Å; L91-L126 HydrophobicContact CD2-CD2 4.11Å; L91-L130 HydrophobicContact CB-CB 4.48Å
92G95.8Very high95.4Very high0 Ų037.5 Ų37.50%022%0.219CC..Hα-helixtrans-71.6-28.617900000112.8A88 V90 G95 I96A88-G92 PolarHBondContact O-N 3.41Å; V90-G92 PolarHBondContact O-N 2.96Å; G92-G95 PolarHBondContact O-N 3.21Å; G92-I96 WeakPolarHBondContact O-CB 3.39Å; G92-I96 VanDerWaalsContact O-CG1 3.26Å; G92-I96 WeakPolarHBondContact O-CG1 3.33Å; G92-I96 PolarHBondContact O-N 3.32Å
93L96.3Very high95Very high93 Ų9337.6 Ų37.649%0.48722%0.221SC..Hα-helixtrans-59.9-57.5177.5-172.1148.9000112.4W18 V90 L91 G95 I96 L97W18-L93 HydrophobicContact CH2-CB 4.14Å; W18-L93 HydrophobicContact CZ2-CB 3.86Å; V90-L93 PolarHBondContact O-N 2.88Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L93-G95 VanDerWaalsContact C-N 3.28Å; L93-G95 PolarHBondContact O-N 3.2Å; L93-I96 PolarHBondContact O-N 2.85Å; L93-L97 HydrophobicContact CD2-CD1 3.59Å; L93-L97 HydrophobicContact CD2-CG 4.37Å; L93-L97 HydrophobicContact CG-CD1 4.38Å; L93-L97 WeakPolarHBondContact O-CB 3.3Å; L93-L97 VanDerWaalsContact O-CG 3.25Å; L93-L97 WeakPolarHBondContact O-CG 3.41Å; L93-L97 PolarHBondContact O-N 3.14Å
94P96.9Very high94.2Very high51 Ų5137.5 Ų37.533%0.33122%0.215SC..Hα-helixtrans-64.3-33.1175.326.2-32.9000112.1V90 L91 L98 L126V90-P94 WeakPolarHBondContact O-CD 3.44Å; L91-P94 VanDerWaalsContact O-CD 3.3Å; L91-P94 WeakPolarHBondContact O-CD 3.13Å; L91-P94 WeakPolarHBondContact O-CG 3.35Å; P94-L98 VanDerWaalsContact O-CB 3.29Å; P94-L98 WeakPolarHBondContact O-CB 3.32Å; P94-L98 WeakPolarHBondContact O-CD1 3.46Å; P94-L98 WeakPolarHBondContact O-CG 3.25Å; P94-L98 PolarHBondContact O-N 2.85Å; P94-L126 HydrophobicContact CB-CD1 4.49Å
95G96Very high93.4Very high0 Ų040.5 Ų40.50%024%0.239CC..Hα-helixtrans-59.5-52.6175.600000112.7L91 G92 L93 L98 L99L91-G95 PolarHBondContact O-N 2.91Å; G92-G95 PolarHBondContact O-N 3.21Å; L93-G95 VanDerWaalsContact C-N 3.28Å; L93-G95 PolarHBondContact O-N 3.2Å; G95-L98 PolarHBondContact O-N 3.19Å; G95-L99 WeakPolarHBondContact O-CG 3.23Å; G95-L99 PolarHBondContact O-N 2.89Å
96I96.7Very high92.5Very high8 Ų843.8 Ų43.84%0.04126%0.256CS..Hα-helixtrans-65.1-42.4178.1-66.7-55.6000111.4F11 F15 W18 G92 L93 L98 L99 L100 L127F11-I96 HydrophobicContact CE2-CG2 4.09Å; F15-I96 HydrophobicContact CB-CD1 4.21Å; F15-I96 HydrophobicContact CD2-CD1 4.45Å; F15-I96 HydrophobicContact CD2-CG1 4.44Å; F15-I96 HydrophobicContact CD2-CG2 3.76Å; F15-I96 HydrophobicContact CE2-CG2 4.29Å; W18-I96 HydrophobicContact CB-CG1 4.41Å; W18-I96 HydrophobicContact CD2-CG1 4.15Å; W18-I96 HydrophobicContact CE3-CG1 3.91Å; W18-I96 HydrophobicContact CG-CG1 4.4Å; G92-I96 WeakPolarHBondContact O-CB 3.39Å; G92-I96 VanDerWaalsContact O-CG1 3.26Å; G92-I96 WeakPolarHBondContact O-CG1 3.33Å; G92-I96 PolarHBondContact O-N 3.32Å; L93-I96 PolarHBondContact O-N 2.85Å; I96-L98 PolarHBondContact O-N 3.36Å; I96-L99 HydrophobicContact CD1-CD1 4.42Å; I96-L99 WeakPolarHBondContact O-CB 3.44Å; I96-L99 PolarHBondContact O-N 2.86Å; I96-L100 PolarHBondContact O-N 3.3Å; I96-L127 HydrophobicContact CD1-CD2 4.19Å
97L95.6Very high91.1Very high95 Ų9551.9 Ų51.950%0.49728%0.282SS..Hα-helixtrans-61.3-44.6176.6-71.2-178.9000111.5L93 L99 L100 T101L93-L97 HydrophobicContact CD2-CD1 3.59Å; L93-L97 HydrophobicContact CD2-CG 4.37Å; L93-L97 HydrophobicContact CG-CD1 4.38Å; L93-L97 WeakPolarHBondContact O-CB 3.3Å; L93-L97 VanDerWaalsContact O-CG 3.25Å; L93-L97 WeakPolarHBondContact O-CG 3.41Å; L93-L97 PolarHBondContact O-N 3.14Å; L97-L99 VanDerWaalsContact C-N 3.3Å; L97-L99 PolarHBondContact O-N 3.5Å; L97-L100 HydrophobicContact CD2-CD1 4.23Å; L97-L100 WeakPolarHBondContact O-CB 3.48Å; L97-L100 PolarHBondContact O-N 3.31Å; L97-T101 WeakPolarHBondContact O-CG2 3.15Å; L97-T101 PolarHBondContact O-N 2.78Å
98L93.9Very high89.7Confident38 Ų3853.8 Ų53.820%0.19929%0.285CS..Hα-helixtrans-60.7-40.7174.8-73.9167.9000111.4P94 G95 I96 T101 V102 R119 L122 A123 L126P94-L98 VanDerWaalsContact O-CB 3.29Å; P94-L98 WeakPolarHBondContact O-CB 3.32Å; P94-L98 WeakPolarHBondContact O-CD1 3.46Å; P94-L98 WeakPolarHBondContact O-CG 3.25Å; P94-L98 PolarHBondContact O-N 2.85Å; G95-L98 PolarHBondContact O-N 3.19Å; I96-L98 PolarHBondContact O-N 3.36Å; L98-T101 WeakPolarHBondContact O-CB 3.35Å; L98-T101 PolarHBondContact O-N 3.17Å; L98-T101 VanDerWaalsContact O-N 3.15Å; L98-T101 PolarHBondContact O-OG1 3.04Å; L98-V102 PolarHBondContact O-N 2.99Å; L98-R119 HydrophobicContact CD2-CG 4.33Å; L98-L122 HydrophobicContact CD1-CB 4.4Å; L98-L122 HydrophobicContact CD1-CD2 3.74Å; L98-L122 HydrophobicContact CD1-CG 3.82Å; L98-A123 HydrophobicContact CB-CB 3.66Å; L98-L126 HydrophobicContact CD1-CD1 3.78Å
99L93Very high88.3Confident3 Ų357.4 Ų57.42%0.01632%0.322CS..Hα-helixtrans-62.3-42.2175.6-72-173.8000113.5F11 G95 I96 L97 T101 V102 L103 A123 L127 I175F11-L99 HydrophobicContact CB-CD1 4.44Å; F11-L99 HydrophobicContact CD2-CB 3.61Å; F11-L99 HydrophobicContact CD2-CD1 3.96Å; F11-L99 HydrophobicContact CD2-CG 4.48Å; F11-L99 HydrophobicContact CE2-CB 4.22Å; G95-L99 WeakPolarHBondContact O-CG 3.23Å; G95-L99 PolarHBondContact O-N 2.89Å; I96-L99 HydrophobicContact CD1-CD1 4.42Å; I96-L99 WeakPolarHBondContact O-CB 3.44Å; I96-L99 PolarHBondContact O-N 2.86Å; L97-L99 VanDerWaalsContact C-N 3.3Å; L97-L99 PolarHBondContact O-N 3.5Å; L99-T101 PolarHBondContact O-N 2.93Å; L99-V102 HydrophobicContact CD2-CG2 4.35Å; L99-V102 WeakPolarHBondContact O-CG2 3.29Å; L99-V102 PolarHBondContact O-N 2.98Å; L99-L103 PolarHBondContact O-N 3.17Å; L99-A123 HydrophobicContact CD2-CB 3.45Å; L99-A123 VanDerWaalsContact CD2-CB 3.45Å; L99-A123 HydrophobicContact CG-CB 3.78Å; L99-L127 HydrophobicContact CD1-CD1 3.53Å; L99-L127 HydrophobicContact CG-CD1 4.28Å; L99-I175 HydrophobicContact CD1-CD1 3.41Å; L99-I175 VanDerWaalsContact CD1-CD1 3.41Å; L99-I175 HydrophobicContact CD2-CB 4.48Å; L99-I175 HydrophobicContact CD2-CD1 3.39Å; L99-I175 HydrophobicContact CD2-CG1 4.07Å; L99-I175 HydrophobicContact CD2-CG2 3.79Å; L99-I175 HydrophobicContact CG-CD1 4.05Å
100L92.9Very high86.7Confident58 Ų5865.5 Ų65.530%0.30436%0.357SS..Hα-helixtrans-54.2-41.8174.2-75.1170.5000110.4F11 I96 L97 V102 L103 I106F11-L100 HydrophobicContact CE1-CD2 4.1Å; F11-L100 HydrophobicContact CE2-CD2 3.65Å; F11-L100 HydrophobicContact CE2-CG 3.76Å; F11-L100 HydrophobicContact CZ-CD2 3.3Å; F11-L100 HydrophobicContact CZ-CG 3.9Å; I96-L100 PolarHBondContact O-N 3.3Å; L97-L100 HydrophobicContact CD2-CD1 4.23Å; L97-L100 WeakPolarHBondContact O-CB 3.48Å; L97-L100 PolarHBondContact O-N 3.31Å; L100-V102 PolarHBondContact O-N 3.23Å; L100-L103 HydrophobicContact CD2-CD1 3.96Å; L100-L103 PolarHBondContact O-N 2.85Å; L100-I106 HydrophobicContact CB-CD1 3.99Å; L100-I106 HydrophobicContact CD2-CD1 4.13Å; L100-I106 WeakPolarHBondContact O-CD1 3.4Å
101T90.5Very high85.4Confident27 Ų2765.5 Ų65.517%0.16635%0.351CS..Hα-helixtrans-66.4-18-179.2810000115.2L97 L98 L99 M108 R119L97-T101 WeakPolarHBondContact O-CG2 3.15Å; L97-T101 PolarHBondContact O-N 2.78Å; L98-T101 WeakPolarHBondContact O-CB 3.35Å; L98-T101 PolarHBondContact O-N 3.17Å; L98-T101 VanDerWaalsContact O-N 3.15Å; L98-T101 PolarHBondContact O-OG1 3.04Å; L99-T101 PolarHBondContact O-N 2.93Å; T101-M108 HydrophobicContact CG2-CE 3.25Å; T101-M108 HydrophobicContact CG2-SD 4.02Å; T101-R119 VanDerWaalsContact CB-NH1 3.31Å; T101-R119 PolarHBondContact OG1-NH1 3.31Å; T101-R119 VanDerWaalsContact OG1-NH1 3.1Å
102V86.9Confident84.4Confident6 Ų666.5 Ų66.54%0.03636%0.361CS..Hα-helixtrans-102.9-7.5-179.3-54.30000113.3L98 L99 L100 K116 R119 A120L98-V102 PolarHBondContact O-N 2.99Å; L99-V102 HydrophobicContact CD2-CG2 4.35Å; L99-V102 WeakPolarHBondContact O-CG2 3.29Å; L99-V102 PolarHBondContact O-N 2.98Å; L100-V102 PolarHBondContact O-N 3.23Å; V102-K116 HydrophobicContact CB-CG 4.16Å; V102-K116 HydrophobicContact CG1-CG 4.09Å; V102-K116 WeakPolarHBondContact O-CE 3.19Å; V102-K116 PolarHBondContact O-NZ 2.84Å; V102-R119 HydrophobicContact CG1-CB 3.76Å; V102-A120 HydrophobicContact CB-CB 4.37Å; V102-A120 HydrophobicContact CG1-CB 4.1Å; V102-A120 HydrophobicContact CG2-CB 4.13Å
103L87.1Confident83.6Confident17 Ų1769.4 Ų69.49%0.08939%0.39CS..SBendtrans-61.9145.3176.3-73170.9000111.6V8 F11 L99 L100 C105 I106V8-L103 HydrophobicContact CG2-CD2 4.11Å; F11-L103 HydrophobicContact CB-CD2 3.93Å; F11-L103 HydrophobicContact CD1-CD1 3.74Å; F11-L103 HydrophobicContact CD1-CD2 4.32Å; F11-L103 HydrophobicContact CD2-CD1 4.25Å; F11-L103 HydrophobicContact CE1-CD1 3.92Å; F11-L103 HydrophobicContact CE2-CD1 4.38Å; F11-L103 HydrophobicContact CG-CD1 3.91Å; F11-L103 HydrophobicContact CG-CD2 4.14Å; F11-L103 HydrophobicContact CG-CG 4.4Å; F11-L103 HydrophobicContact CZ-CD1 4.25Å; L99-L103 PolarHBondContact O-N 3.17Å; L100-L103 HydrophobicContact CD2-CD1 3.96Å; L100-L103 PolarHBondContact O-N 2.85Å; L103-C105 PolarHBondContact O-N 3.3Å; L103-I106 PolarHBondContact O-N 3.17Å
104P80.4Confident83Confident57 Ų5768.2 Ų68.237%0.3739%0.387SS..THydrogen-bonded Turntrans-62.5-26.1178.730.5-41.2000113.3T4 V8 I106T4-P104 HydrophobicContact CG2-CB 3.82Å; T4-P104 HydrophobicContact CG2-CG 3.49Å; T4-P104 VanDerWaalsContact CG2-CG 3.49Å; V8-P104 HydrophobicContact CG2-CG 4.35Å; P104-I106 VanDerWaalsContact C-N 3.31Å
105C79.4Confident82.5Confident114 Ų11467.2 Ų67.277%0.7738%0.383SS*.THydrogen-bonded Turntrans-76.6-18.8-177.6-52.10000112.8L103L103-C105 PolarHBondContact O-N 3.3Å
106I78.8Confident82Confident69 Ų6970.7 Ų70.735%0.35440%0.398SS..SBendtrans-104.7102.2-178.3-65.8170.7000108L100 L103 P104 M108L100-I106 HydrophobicContact CB-CD1 3.99Å; L100-I106 HydrophobicContact CD2-CD1 4.13Å; L100-I106 WeakPolarHBondContact O-CD1 3.4Å; L103-I106 PolarHBondContact O-N 3.17Å; P104-I106 VanDerWaalsContact C-N 3.31Å; I106-M108 HydrophobicContact CG2-CE 4.16Å; I106-M108 HydrophobicContact CG2-CG 4.15Å; I106-M108 PolarHBondContact O-N 2.73Å
107R68.6Low81.5Confident242 Ų24273.3 Ų73.391%0.91341%0.408SS*.  trans-82.598175.8-68.4-167-166.6-171.66.1110.1G109R107-G109 PolarHBondContact O-N 2.89Å
108M67.1Low81.3Confident79 Ų7977.3 Ų77.339%0.38942%0.416SS..  trans-89.390.1164.8-66.7-163.1177.700109.5T101 I106 E111 R119T101-M108 HydrophobicContact CG2-CE 3.25Å; T101-M108 HydrophobicContact CG2-SD 4.02Å; I106-M108 HydrophobicContact CG2-CE 4.16Å; I106-M108 HydrophobicContact CG2-CG 4.15Å; I106-M108 PolarHBondContact O-N 2.73Å; M108-E111 HydrophobicContact CB-CG 4.3Å; M108-E111 WeakPolarHBondContact O-CG 3.19Å; M108-R119 PolarHBondContact SD-NH1 2.92Å
109G67.8Low81.2Confident76 Ų7677.6 Ų77.678%0.78442%0.415SS*.THydrogen-bonded Turntrans46.9-159.4167.400000117R107 E111R107-G109 PolarHBondContact O-N 2.89Å; G109-E111 VanDerWaalsContact C-N 3.35Å; G109-E111 PolarHBondContact O-N 3.01Å
110H63.4Low81.1Confident192 Ų19277.6 Ų77.689%0.88942%0.415SS*.THydrogen-bonded Turntrans-8975.3168.9-174.286.9000108.8
111E70Confident81.1Confident95 Ų9576.7 Ų76.744%0.44441%0.409SS..  trans-85.2132.6176.3-78.1-81.4133.100110.4M108 G109 G113 R119M108-E111 HydrophobicContact CB-CG 4.3Å; M108-E111 WeakPolarHBondContact O-CG 3.19Å; G109-E111 VanDerWaalsContact C-N 3.35Å; G109-E111 PolarHBondContact O-N 3.01Å; E111-G113 PolarHBondContact O-N 3.45Å; E111-R119 VanDerWaalsContact CD-NH2 3.33Å; E111-R119 IonicContact OE2-CZ 3.66Å; E111-R119 IonicContact OE2-NH2 2.73Å; E111-R119 PolarHBondContact OE2-NH2 3.5Å
112P75.3Confident81.4Confident77 Ų7779.8 Ų79.850%0.542%0.424SS..  trans-61.4138.517425.6-31.7000109.4V114 A115 K116P112-V114 PolarHBondContact O-N 2.94Å; P112-A115 HydrophobicContact CG-CB 3.84Å; P112-A115 WeakPolarHBondContact O-CB 3.35Å; P112-A115 PolarHBondContact O-N 3.42Å; P112-K116 PolarHBondContact O-N 2.94Å
113G79.2Confident81.8Confident60 Ų6079.5 Ų79.562%0.61942%0.423SS*.Hα-helixtrans-53.7-30.8-177.700000113.6E111 K116 Y117E111-G113 PolarHBondContact O-N 3.45Å; G113-K116 PolarHBondContact O-N 3.4Å; G113-Y117 WeakPolarHBondContact O-CB 3.17Å; G113-Y117 PolarHBondContact O-N 3.09Å
114V83Confident82.2Confident69 Ų6978.7 Ų78.742%0.41842%0.418SS..Hα-helixtrans-64-39.6175.3-1780000112.4P112 Y117 R118P112-V114 PolarHBondContact O-N 2.94Å; V114-Y117 WeakPolarHBondContact O-CB 3.22Å; V114-Y117 PolarHBondContact O-N 3.34Å; V114-R118 WeakPolarHBondContact O-CG 3.07Å; V114-R118 PolarHBondContact O-N 2.84Å
115A86.5Confident82.9Confident29 Ų2979.2 Ų79.224%0.2442%0.42CS..Hα-helixtrans-68.3-40.9178.400000111.2P112 Y117 R118 R119P112-A115 HydrophobicContact CG-CB 3.84Å; P112-A115 WeakPolarHBondContact O-CB 3.35Å; P112-A115 PolarHBondContact O-N 3.42Å; A115-Y117 VanDerWaalsContact C-N 3.35Å; A115-R118 PolarHBondContact O-N 3.1Å; A115-R119 WeakPolarHBondContact O-CG 3.11Å; A115-R119 PolarHBondContact O-N 3.44Å; A115-R119 VanDerWaalsContact O-N 3.09Å; A115-R119 PolarHBondContact O-NE 2.83Å
116K86.3Confident83.8Confident73 Ų7375 Ų7532%0.31739%0.39SS..Hα-helixtrans-61.7-43173.5-176.5173.7176.6162.60111.7V102 P112 G113 R119 A120V102-K116 HydrophobicContact CB-CG 4.16Å; V102-K116 HydrophobicContact CG1-CG 4.09Å; V102-K116 WeakPolarHBondContact O-CE 3.19Å; V102-K116 PolarHBondContact O-NZ 2.84Å; P112-K116 PolarHBondContact O-N 2.94Å; G113-K116 PolarHBondContact O-N 3.4Å; K116-R119 PolarHBondContact O-N 3.39Å; K116-A120 PolarHBondContact O-N 3.26Å
117Y85.6Confident84.7Confident63 Ų6371.8 Ų71.825%0.24737%0.373CS..Hα-helixtrans-59.3-50.4175.7169.9-106.1000112.4G113 V114 A115 R119 A120 Q121 S179G113-Y117 WeakPolarHBondContact O-CB 3.17Å; G113-Y117 PolarHBondContact O-N 3.09Å; V114-Y117 WeakPolarHBondContact O-CB 3.22Å; V114-Y117 PolarHBondContact O-N 3.34Å; A115-Y117 VanDerWaalsContact C-N 3.35Å; Y117-R119 VanDerWaalsContact C-N 3.3Å; Y117-R119 PolarHBondContact O-N 3.36Å; Y117-A120 PolarHBondContact O-N 2.98Å; Y117-A120 VanDerWaalsContact O-N 3.13Å; Y117-Q121 HydrophobicContact CD1-CG 4.39Å; Y117-Q121 HydrophobicContact CD2-CG 4.17Å; Y117-Q121 HydrophobicContact CE1-CG 3.9Å; Y117-Q121 HydrophobicContact CE2-CG 3.63Å; Y117-Q121 VanDerWaalsContact CE2-NE2 3.31Å; Y117-Q121 VanDerWaalsContact CZ-CG 3.49Å; Y117-Q121 PolarHBondContact O-N 2.94Å; Y117-Q121 PolarHBondContact OH-NE2 2.94Å; Y117-S179 WeakPolarHBondContact CD2-O 3.45Å; Y117-S179 WeakPolarHBondContact CE2-O 3.27Å
118R90.9Very high86Confident179 Ų17962.1 Ų62.168%0.67534%0.34SS*.Hα-helixtrans-60.3-39.1178.9-73-178.5-176.7-174.91.5112.3V114 A115 Q121 L122V114-R118 WeakPolarHBondContact O-CG 3.07Å; V114-R118 PolarHBondContact O-N 2.84Å; A115-R118 PolarHBondContact O-N 3.1Å; R118-Q121 PolarHBondContact O-N 2.75Å; R118-L122 WeakPolarHBondContact O-CB 3.43Å; R118-L122 PolarHBondContact O-N 2.84Å
119R92Very high87.5Confident45 Ų4562.4 Ų62.417%0.1734%0.342CS..Hα-helixtrans-63.2-43174.7-75.1-174.7-79.2162.6-14.9112.1L98 T101 V102 M108 E111 A115 K116 Y117 L122 A123L98-R119 HydrophobicContact CD2-CG 4.33Å; T101-R119 VanDerWaalsContact CB-NH1 3.31Å; T101-R119 PolarHBondContact OG1-NH1 3.31Å; T101-R119 VanDerWaalsContact OG1-NH1 3.1Å; V102-R119 HydrophobicContact CG1-CB 3.76Å; M108-R119 PolarHBondContact SD-NH1 2.92Å; E111-R119 VanDerWaalsContact CD-NH2 3.33Å; E111-R119 IonicContact OE2-CZ 3.66Å; E111-R119 IonicContact OE2-NH2 2.73Å; E111-R119 PolarHBondContact OE2-NH2 3.5Å; A115-R119 WeakPolarHBondContact O-CG 3.11Å; A115-R119 PolarHBondContact O-N 3.44Å; A115-R119 VanDerWaalsContact O-N 3.09Å; A115-R119 PolarHBondContact O-NE 2.83Å; K116-R119 PolarHBondContact O-N 3.39Å; Y117-R119 VanDerWaalsContact C-N 3.3Å; Y117-R119 PolarHBondContact O-N 3.36Å; R119-L122 PolarHBondContact O-N 3.48Å; R119-A123 VanDerWaalsContact O-CB 3.3Å; R119-A123 WeakPolarHBondContact O-CB 3.22Å; R119-A123 PolarHBondContact O-N 3.49Å
120A92.3Very high88.9Confident3 Ų358.8 Ų58.83%0.02531%0.305CS..Hα-helixtrans-65.5-43.1177.300000112V102 K116 Y117 A123 G124 I175 S179V102-A120 HydrophobicContact CB-CB 4.37Å; V102-A120 HydrophobicContact CG1-CB 4.1Å; V102-A120 HydrophobicContact CG2-CB 4.13Å; K116-A120 PolarHBondContact O-N 3.26Å; Y117-A120 PolarHBondContact O-N 2.98Å; Y117-A120 VanDerWaalsContact O-N 3.13Å; A120-A123 PolarHBondContact O-N 3.5Å; A120-G124 PolarHBondContact O-N 3.19Å; A120-I175 HydrophobicContact CB-CG2 4.31Å; A120-I175 WeakPolarHBondContact O-CG2 3.32Å; A120-S179 VanDerWaalsContact CB-OG 3.23Å; A120-S179 WeakPolarHBondContact CB-OG 3.46Å
121Q92.9Very high90.5Very high38 Ų3849.6 Ų49.618%0.17826%0.263CS..Hα-helixtrans-59.6-50174.5-74.9-63.3-19.400111.8Y117 R118 A123 G124 V125 V176Y117-Q121 HydrophobicContact CD1-CG 4.39Å; Y117-Q121 HydrophobicContact CD2-CG 4.17Å; Y117-Q121 HydrophobicContact CE1-CG 3.9Å; Y117-Q121 HydrophobicContact CE2-CG 3.63Å; Y117-Q121 VanDerWaalsContact CE2-NE2 3.31Å; Y117-Q121 VanDerWaalsContact CZ-CG 3.49Å; Y117-Q121 PolarHBondContact O-N 2.94Å; Y117-Q121 PolarHBondContact OH-NE2 2.94Å; R118-Q121 PolarHBondContact O-N 2.75Å; Q121-A123 VanDerWaalsContact C-N 3.31Å; Q121-A123 PolarHBondContact O-N 3.29Å; Q121-G124 PolarHBondContact O-N 3.35Å; Q121-V125 WeakPolarHBondContact O-CG2 3.1Å; Q121-V125 PolarHBondContact O-N 2.85Å; Q121-V176 PolarHBondContact NE2-O 2.81Å
122L95.1Very high91.9Very high93 Ų9349.2 Ų49.249%0.48726%0.263SS..Hα-helixtrans-58.9-44.4177.7179.761000111.4L98 R118 R119 G124 V125 L126L98-L122 HydrophobicContact CD1-CB 4.4Å; L98-L122 HydrophobicContact CD1-CD2 3.74Å; L98-L122 HydrophobicContact CD1-CG 3.82Å; R118-L122 WeakPolarHBondContact O-CB 3.43Å; R118-L122 PolarHBondContact O-N 2.84Å; R119-L122 PolarHBondContact O-N 3.48Å; L122-G124 PolarHBondContact O-N 2.93Å; L122-V125 PolarHBondContact O-N 2.87Å; L122-L126 HydrophobicContact CD1-CD1 4.38Å; L122-L126 HydrophobicContact CD1-CG 4.38Å; L122-L126 HydrophobicContact CG-CD1 4.16Å; L122-L126 VanDerWaalsContact O-CG 3.27Å; L122-L126 WeakPolarHBondContact O-CG 3.35Å; L122-L126 PolarHBondContact O-N 2.94Å
123A95.6Very high92.9Very high0 Ų047 Ų470%025%0.249CC..Hα-helixtrans-60.8-45.5177.800000112.4L98 L99 R119 A120 Q121 L126 L127L98-A123 HydrophobicContact CB-CB 3.66Å; L99-A123 HydrophobicContact CD2-CB 3.45Å; L99-A123 VanDerWaalsContact CD2-CB 3.45Å; L99-A123 HydrophobicContact CG-CB 3.78Å; R119-A123 VanDerWaalsContact O-CB 3.3Å; R119-A123 WeakPolarHBondContact O-CB 3.22Å; R119-A123 PolarHBondContact O-N 3.49Å; A120-A123 PolarHBondContact O-N 3.5Å; Q121-A123 VanDerWaalsContact C-N 3.31Å; Q121-A123 PolarHBondContact O-N 3.29Å; A123-L126 PolarHBondContact O-N 2.98Å; A123-L127 WeakPolarHBondContact O-CG 3.25Å; A123-L127 PolarHBondContact O-N 3.41Å; A123-L127 VanDerWaalsContact O-N 3.09Å
124G95.8Very high93.8Very high0 Ų044.1 Ų44.10%022%0.219CC..Hα-helixtrans-64.8-41.2178.100000113A120 Q121 L122 L127 I128A120-G124 PolarHBondContact O-N 3.19Å; Q121-G124 PolarHBondContact O-N 3.35Å; L122-G124 PolarHBondContact O-N 2.93Å; G124-L127 PolarHBondContact O-N 2.66Å; G124-I128 WeakPolarHBondContact O-CG1 3.24Å; G124-I128 PolarHBondContact O-N 3.45Å
125V96.2Very high94.5Very high68 Ų6843 Ų4341%0.41221%0.211SC..Hα-helixtrans-62.5-43.6174.7172.10000111.3Q121 L122 L127 I128 L129Q121-V125 WeakPolarHBondContact O-CG2 3.1Å; Q121-V125 PolarHBondContact O-N 2.85Å; L122-V125 PolarHBondContact O-N 2.87Å; V125-L127 VanDerWaalsContact C-N 3.31Å; V125-L127 PolarHBondContact O-N 2.93Å; V125-I128 PolarHBondContact O-N 3.46Å; V125-L129 HydrophobicContact CG1-CD1 4.05Å; V125-L129 HydrophobicContact CG1-CG 4.37Å; V125-L129 WeakPolarHBondContact O-CG 3.48Å; V125-L129 PolarHBondContact O-N 2.97Å
126L97.5Very high95Very high26 Ų2645 Ų4514%0.13622%0.22CC..Hα-helixtrans-60.1-40.4176.7-72.3169.4000112.1L91 P94 L98 L122 A123 L129 L130L91-L126 HydrophobicContact CD2-CD2 4.11Å; P94-L126 HydrophobicContact CB-CD1 4.49Å; L98-L126 HydrophobicContact CD1-CD1 3.78Å; L122-L126 HydrophobicContact CD1-CD1 4.38Å; L122-L126 HydrophobicContact CD1-CG 4.38Å; L122-L126 HydrophobicContact CG-CD1 4.16Å; L122-L126 VanDerWaalsContact O-CG 3.27Å; L122-L126 WeakPolarHBondContact O-CG 3.35Å; L122-L126 PolarHBondContact O-N 2.94Å; A123-L126 PolarHBondContact O-N 2.98Å; L126-L129 PolarHBondContact O-N 2.68Å; L126-L130 WeakPolarHBondContact O-CB 3.46Å; L126-L130 PolarHBondContact O-N 3Å
127L97.3Very high95.6Very high0 Ų041.6 Ų41.60%021%0.205CC..Hα-helixtrans-67.2-38.3177.1-72.8168000112.9S14 I96 L99 A123 G124 V125 A131 I175S14-L127 WeakPolarHBondContact OG-CD1 3.48Å; I96-L127 HydrophobicContact CD1-CD2 4.19Å; L99-L127 HydrophobicContact CD1-CD1 3.53Å; L99-L127 HydrophobicContact CG-CD1 4.28Å; A123-L127 WeakPolarHBondContact O-CG 3.25Å; A123-L127 PolarHBondContact O-N 3.41Å; A123-L127 VanDerWaalsContact O-N 3.09Å; G124-L127 PolarHBondContact O-N 2.66Å; V125-L127 VanDerWaalsContact C-N 3.31Å; V125-L127 PolarHBondContact O-N 2.93Å; L127-A131 WeakPolarHBondContact O-CB 3.47Å; L127-A131 PolarHBondContact O-N 2.71Å; L127-I175 HydrophobicContact CD1-CD1 4.26Å
128I97.1Very high96.1Very high40 Ų4038.6 Ų38.621%0.20519%0.193CC..Hα-helixtrans-65-46.5174.3-67164.9000110.1G124 V125 L130 A131 L132 L169 V176G124-I128 WeakPolarHBondContact O-CG1 3.24Å; G124-I128 PolarHBondContact O-N 3.45Å; V125-I128 PolarHBondContact O-N 3.46Å; I128-L130 PolarHBondContact O-N 2.96Å; I128-A131 PolarHBondContact O-N 3.46Å; I128-L132 HydrophobicContact CG2-CD1 4.14Å; I128-L132 HydrophobicContact CG2-CG 4.44Å; I128-L132 VanDerWaalsContact O-CG 3.32Å; I128-L132 WeakPolarHBondContact O-CG 3.23Å; I128-L132 PolarHBondContact O-N 3.25Å; I128-L169 HydrophobicContact CG1-CD1 4.42Å; I128-L169 HydrophobicContact CG2-CD1 4.12Å; I128-V176 HydrophobicContact CD1-CG2 4.14Å
129L97.2Very high96.4Very high84 Ų8434.4 Ų34.444%0.4418%0.183SC..Hα-helixtrans-60.3-44.6177.9-70.6173.7000111.9V125 L126 A131 L132 C133V125-L129 HydrophobicContact CG1-CD1 4.05Å; V125-L129 HydrophobicContact CG1-CG 4.37Å; V125-L129 WeakPolarHBondContact O-CG 3.48Å; V125-L129 PolarHBondContact O-N 2.97Å; L126-L129 PolarHBondContact O-N 2.68Å; L129-A131 PolarHBondContact O-N 3.37Å; L129-L132 PolarHBondContact O-N 3.32Å; L129-C133 PolarHBondContact O-N 3.47Å; L129-C133 PolarHBondContact O-SG 3.33Å; L129-C133 VanDerWaalsContact O-SG 3.37Å
130L97.4Very high96.6Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-56.2-47.7172.8168.9156.4000112.3I21 A88 L91 L126 I128 L132 C133 A134 C168I21-L130 HydrophobicContact CG1-CD2 4.04Å; A88-L130 HydrophobicContact CB-CG 4.06Å; A88-L130 WeakPolarHBondContact O-CD1 3.27Å; A88-L130 WeakPolarHBondContact O-CG 3.27Å; L91-L130 HydrophobicContact CB-CB 4.48Å; L126-L130 WeakPolarHBondContact O-CB 3.46Å; L126-L130 PolarHBondContact O-N 3Å; I128-L130 PolarHBondContact O-N 2.96Å; L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 PolarHBondContact O-N 3.32Å; L130-C133 PolarHBondContact O-N 3.48Å; L130-A134 PolarHBondContact O-N 2.78Å; L130-C168 HydrophobicContact CD2-CB 3.91Å
131A97.8Very high96.7Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-62.7-41.6-179.900000111.3L127 I128 L129 A134 I135 A165 C168 L169L127-A131 WeakPolarHBondContact O-CB 3.47Å; L127-A131 PolarHBondContact O-N 2.71Å; I128-A131 PolarHBondContact O-N 3.46Å; L129-A131 PolarHBondContact O-N 3.37Å; A131-A134 PolarHBondContact O-N 3.2Å; A131-I135 WeakPolarHBondContact O-CB 3.36Å; A131-I135 VanDerWaalsContact O-CG1 3.23Å; A131-I135 WeakPolarHBondContact O-CG1 3.06Å; A131-I135 PolarHBondContact O-N 2.75Å; A131-A165 HydrophobicContact CB-CB 4.45Å; A131-A165 WeakPolarHBondContact CB-O 3.43Å; A131-C168 HydrophobicContact CB-CB 4.02Å; A131-L169 HydrophobicContact CB-CB 4.07Å; A131-L169 HydrophobicContact CB-CD1 4.43Å
132L97.8Very high96.8Very high86 Ų8637.6 Ų37.645%0.4519%0.194SC..Hα-helixtrans-63.1-45.4175.9-67.4175.2000111.8I128 L129 L130 A134 I135 V136I128-L132 HydrophobicContact CG2-CD1 4.14Å; I128-L132 HydrophobicContact CG2-CG 4.44Å; I128-L132 VanDerWaalsContact O-CG 3.32Å; I128-L132 WeakPolarHBondContact O-CG 3.23Å; I128-L132 PolarHBondContact O-N 3.25Å; L129-L132 PolarHBondContact O-N 3.32Å; L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 PolarHBondContact O-N 3.32Å; L132-A134 VanDerWaalsContact C-N 3.32Å; L132-A134 PolarHBondContact O-N 3.42Å; L132-I135 PolarHBondContact O-N 3.2Å; L132-V136 WeakPolarHBondContact O-CB 3.32Å; L132-V136 VanDerWaalsContact O-CG2 3.25Å; L132-V136 WeakPolarHBondContact O-CG2 3.2Å; L132-V136 PolarHBondContact O-N 2.78Å
133C97.6Very high96.8Very high30 Ų3037.3 Ų37.320%0.20320%0.196CC..Hα-helixtrans-58.3-44.4175.4-71.70000111.9L84 A88 L129 L130 A137L84-C133 HydrophobicContact CD2-CB 4.34Å; A88-C133 HydrophobicContact CB-CB 4.01Å; L129-C133 PolarHBondContact O-N 3.47Å; L129-C133 PolarHBondContact O-SG 3.33Å; L129-C133 VanDerWaalsContact O-SG 3.37Å; L130-C133 PolarHBondContact O-N 3.48Å; C133-A137 WeakPolarHBondContact O-CB 3.08Å; C133-A137 PolarHBondContact O-N 3.09Å
134A98Very high96.8Very high0 Ų038.8 Ų38.80%021%0.206CC..Hα-helixtrans-65.5-43177.600000112.5I21 M85 A88 L130 A131 L132 A137 T138 A165I21-A134 HydrophobicContact CD1-CB 3.57Å; I21-A134 HydrophobicContact CG1-CB 4.28Å; I21-A134 HydrophobicContact CG2-CB 4.42Å; M85-A134 HydrophobicContact SD-CB 4.27Å; A88-A134 HydrophobicContact CB-CB 4.47Å; L130-A134 PolarHBondContact O-N 2.78Å; A131-A134 PolarHBondContact O-N 3.2Å; L132-A134 VanDerWaalsContact C-N 3.32Å; L132-A134 PolarHBondContact O-N 3.42Å; A134-A137 PolarHBondContact O-N 3.44Å; A134-T138 WeakPolarHBondContact O-CB 3.26Å; A134-T138 VanDerWaalsContact O-CG2 3.24Å; A134-T138 WeakPolarHBondContact O-CG2 3.32Å; A134-T138 PolarHBondContact O-N 3.12Å; A134-T138 PolarHBondContact O-OG1 2.91Å; A134-A165 HydrophobicContact CB-CB 4.28Å
135I97.9Very high96.6Very high47 Ų4738.8 Ų38.824%0.24121%0.206CC..Hα-helixtrans-62.2-47.3176.8-71.5165.4000110.5A131 L132 A137 T138 I139 A165A131-I135 WeakPolarHBondContact O-CB 3.36Å; A131-I135 VanDerWaalsContact O-CG1 3.23Å; A131-I135 WeakPolarHBondContact O-CG1 3.06Å; A131-I135 PolarHBondContact O-N 2.75Å; L132-I135 PolarHBondContact O-N 3.2Å; I135-A137 PolarHBondContact O-N 2.89Å; I135-T138 WeakPolarHBondContact CA-OG1 3.48Å; I135-T138 PolarHBondContact O-N 3.35Å; I135-T138 PolarHBondContact O-OG1 2.86Å; I135-I139 HydrophobicContact CG2-CD1 3.54Å; I135-I139 HydrophobicContact CG2-CG1 4.35Å; I135-I139 WeakPolarHBondContact O-CB 3.36Å; I135-I139 VanDerWaalsContact O-CG1 3.3Å; I135-I139 WeakPolarHBondContact O-CG1 3.39Å; I135-I139 PolarHBondContact O-N 3.28Å; I135-A165 HydrophobicContact CD1-CB 4.11Å; I135-A165 HydrophobicContact CG1-CB 3.65Å
136V97.7Very high96.4Very high71 Ų7141 Ų4143%0.4321%0.212SC..Hα-helixtrans-58.7-48.4178.7172.60000110.2L84 L132 W140L84-V136 HydrophobicContact CD1-CB 4.3Å; L84-V136 HydrophobicContact CD1-CG1 3.74Å; L132-V136 WeakPolarHBondContact O-CB 3.32Å; L132-V136 VanDerWaalsContact O-CG2 3.25Å; L132-V136 WeakPolarHBondContact O-CG2 3.2Å; L132-V136 PolarHBondContact O-N 2.78Å; V136-W140 WeakPolarHBondContact O-CB 3.43Å; V136-W140 PolarHBondContact O-N 3.31Å
137A97.1Very high96.1Very high0 Ų050.3 Ų50.30%025%0.245CC..Hα-helixtrans-63.8-46.1179.400000113W30 C81 L84 M85 C133 A134 I135 I139 W140 F141W30-A137 HydrophobicContact CH2-CB 4.5Å; C81-A137 HydrophobicContact CB-CB 4.28Å; L84-A137 HydrophobicContact CB-CB 3.88Å; L84-A137 HydrophobicContact CD1-CB 4.15Å; M85-A137 HydrophobicContact CG-CB 3.75Å; M85-A137 HydrophobicContact SD-CB 3.68Å; C133-A137 WeakPolarHBondContact O-CB 3.08Å; C133-A137 PolarHBondContact O-N 3.09Å; A134-A137 PolarHBondContact O-N 3.44Å; I135-A137 PolarHBondContact O-N 2.89Å; A137-I139 VanDerWaalsContact C-N 3.32Å; A137-I139 PolarHBondContact O-N 2.9Å; A137-W140 PolarHBondContact O-N 3.42Å; A137-F141 WeakPolarHBondContact O-CB 3.37Å; A137-F141 PolarHBondContact O-N 3.42Å
138T96.7Very high95.6Very high0 Ų055.3 Ų55.30%027%0.268CS..Hα-helixtrans-71.2-22.9-176.954.90000113.7T24 W30 M85 A134 I135 P142 L158 W162T24-T138 HydrophobicContact CG2-CG2 4.31Å; W30-T138 HydrophobicContact CH2-CG2 3.98Å; W30-T138 HydrophobicContact CZ3-CG2 4.12Å; M85-T138 HydrophobicContact SD-CG2 4.36Å; A134-T138 WeakPolarHBondContact O-CB 3.26Å; A134-T138 VanDerWaalsContact O-CG2 3.24Å; A134-T138 WeakPolarHBondContact O-CG2 3.32Å; A134-T138 PolarHBondContact O-N 3.12Å; A134-T138 PolarHBondContact O-OG1 2.91Å; I135-T138 WeakPolarHBondContact CA-OG1 3.48Å; I135-T138 PolarHBondContact O-N 3.35Å; I135-T138 PolarHBondContact O-OG1 2.86Å; T138-P142 WeakPolarHBondContact O-CD 2.86Å; T138-P142 VanDerWaalsContact O-CG 3.28Å; T138-P142 WeakPolarHBondContact O-CG 3.24Å; T138-L158 HydrophobicContact CG2-CD2 4.04Å; T138-L158 WeakPolarHBondContact O-CD2 3.28Å; T138-W162 PolarHBondContact OG1-NE1 2.95Å
139I96.4Very high95.1Very high92 Ų9254.8 Ų54.847%0.47227%0.266SS..Hα-helixtrans-86.5-42171.3-65.5173.7000110.8I135 A137 P142 V143I135-I139 HydrophobicContact CG2-CD1 3.54Å; I135-I139 HydrophobicContact CG2-CG1 4.35Å; I135-I139 WeakPolarHBondContact O-CB 3.36Å; I135-I139 VanDerWaalsContact O-CG1 3.3Å; I135-I139 WeakPolarHBondContact O-CG1 3.39Å; I135-I139 PolarHBondContact O-N 3.28Å; A137-I139 VanDerWaalsContact C-N 3.32Å; A137-I139 PolarHBondContact O-N 2.9Å; I139-P142 WeakPolarHBondContact O-CD 3.48Å; I139-V143 HydrophobicContact CG2-CG2 4.46Å; I139-V143 WeakPolarHBondContact O-CG2 3.42Å; I139-V143 PolarHBondContact O-N 3.39Å
140W96.6Very high94.8Very high140 Ų14053.8 Ų53.853%0.5326%0.263SS..Hα-helixtrans-66-44-176.4-169-65.9000111.9V136 A137 V143 C144V136-W140 WeakPolarHBondContact O-CB 3.43Å; V136-W140 PolarHBondContact O-N 3.31Å; A137-W140 PolarHBondContact O-N 3.42Å; W140-V143 PolarHBondContact O-N 2.8Å; W140-C144 PolarHBondContact NE1-SG 3.06Å; W140-C144 PolarHBondContact O-N 2.8Å
141F95.8Very high94.5Very high4 Ų455.1 Ų55.12%0.01827%0.27CS..Hα-helixtrans-58.8-52-175.7-174.8-82.8000112.9W30 V31 G51 Y77 A78 C81 A137 V143 C144 A145W30-F141 HydrophobicContact CB-CD1 4.11Å; W30-F141 HydrophobicContact CB-CE1 3.85Å; W30-F141 HydrophobicContact CD2-CD1 4.37Å; W30-F141 HydrophobicContact CE3-CB 3.74Å; W30-F141 AromaticContact CE3-CD1 3.64Å; W30-F141 HydrophobicContact CE3-CD1 3.64Å; W30-F141 HydrophobicContact CE3-CD2 4.31Å; W30-F141 HydrophobicContact CE3-CE1 4.31Å; W30-F141 AromaticContact CE3-CG 3.64Å; W30-F141 HydrophobicContact CE3-CG 3.64Å; W30-F141 HydrophobicContact CG-CE1 4.49Å; W30-F141 HydrophobicContact CZ3-CB 3.7Å; W30-F141 HydrophobicContact CZ3-CD1 4.45Å; W30-F141 HydrophobicContact CZ3-CG 4.01Å; V31-F141 HydrophobicContact CG1-CD1 4.46Å; V31-F141 HydrophobicContact CG2-CE1 4.02Å; G51-F141 WeakPolarHBondContact O-CZ 3.44Å; Y77-F141 HydrophobicContact CD2-CD2 4.19Å; Y77-F141 AromaticContact CE2-CD2 3.98Å; Y77-F141 HydrophobicContact CE2-CD2 3.98Å; Y77-F141 HydrophobicContact CE2-CE2 4.09Å; Y77-F141 HydrophobicContact CE2-CG 4.48Å; A78-F141 HydrophobicContact CB-CE2 4.29Å; C81-F141 HydrophobicContact CB-CB 4.48Å; C81-F141 HydrophobicContact CB-CD2 4.2Å; A137-F141 WeakPolarHBondContact O-CB 3.37Å; A137-F141 PolarHBondContact O-N 3.42Å; F141-V143 PolarHBondContact O-N 2.74Å; F141-C144 PolarHBondContact O-N 2.72Å; F141-A145 WeakPolarHBondContact O-CB 3.44Å; F141-A145 PolarHBondContact O-N 2.91Å
142P95.1Very high94.1Very high9 Ų957.9 Ų57.96%0.05829%0.287CS..Hα-helixtrans-66.3-35.3178.6-21.835.8000113.2V31 T138 I139 C144 A145 H146 I151 F154 L158V31-P142 HydrophobicContact CG1-CB 3.77Å; V31-P142 HydrophobicContact CG1-CG 3.87Å; T138-P142 WeakPolarHBondContact O-CD 2.86Å; T138-P142 VanDerWaalsContact O-CG 3.28Å; T138-P142 WeakPolarHBondContact O-CG 3.24Å; I139-P142 WeakPolarHBondContact O-CD 3.48Å; P142-C144 VanDerWaalsContact C-N 3.34Å; P142-C144 PolarHBondContact O-N 3.33Å; P142-A145 PolarHBondContact O-N 3.28Å; P142-H146 WeakPolarHBondContact O-CB 3.39Å; P142-H146 PolarHBondContact O-N 3.44Å; P142-I151 HydrophobicContact CB-CD1 4.28Å; P142-I151 VanDerWaalsContact O-CD1 3.29Å; P142-I151 WeakPolarHBondContact O-CD1 3.3Å; P142-F154 HydrophobicContact CB-CD1 4.39Å; P142-F154 HydrophobicContact CB-CE1 3.9Å; P142-F154 HydrophobicContact CG-CE1 4.47Å; P142-L158 HydrophobicContact CB-CD1 4.43Å; P142-L158 HydrophobicContact CG-CD1 3.44Å; P142-L158 VanDerWaalsContact CG-CD1 3.44Å; P142-L158 HydrophobicContact CG-CD2 4.03Å; P142-L158 HydrophobicContact CG-CG 4.4Å
143V95.2Very high93.9Very high87 Ų8756.6 Ų56.653%0.52729%0.285SS..Hα-helixtrans-62.4-43178170.10000110.9I139 W140 F141I139-V143 HydrophobicContact CG2-CG2 4.46Å; I139-V143 WeakPolarHBondContact O-CG2 3.42Å; I139-V143 PolarHBondContact O-N 3.39Å; W140-V143 PolarHBondContact O-N 2.8Å; F141-V143 PolarHBondContact O-N 2.74Å
144C94Very high93.8Very high30 Ų3059.3 Ų59.320%0.20329%0.293CS..Hα-helixtrans-70.6-44.5174.9-740000112.3Y77 W140 F141 P142 H146 R147Y77-C144 HydrophobicContact CD1-CB 3.62Å; Y77-C144 HydrophobicContact CD2-CB 3.47Å; Y77-C144 VanDerWaalsContact CD2-CB 3.47Å; Y77-C144 HydrophobicContact CE1-CB 3.9Å; Y77-C144 HydrophobicContact CE2-CB 3.78Å; Y77-C144 HydrophobicContact CG-CB 3.4Å; W140-C144 PolarHBondContact NE1-SG 3.06Å; W140-C144 PolarHBondContact O-N 2.8Å; F141-C144 PolarHBondContact O-N 2.72Å; P142-C144 VanDerWaalsContact C-N 3.34Å; P142-C144 PolarHBondContact O-N 3.33Å; C144-H146 PolarHBondContact O-N 2.96Å; C144-R147 WeakPolarHBondContact O-CB 3.46Å; C144-R147 PolarHBondContact O-N 3.37Å
145A92.1Very high93.6Very high0 Ų059.5 Ų59.50%030%0.296CS..Hα-helixtrans-59-37.1178.800000112.2V31 F141 P142 R147 E148 I149 I151V31-A145 HydrophobicContact CG2-CB 4.04Å; F141-A145 WeakPolarHBondContact O-CB 3.44Å; F141-A145 PolarHBondContact O-N 2.91Å; P142-A145 PolarHBondContact O-N 3.28Å; A145-R147 PolarHBondContact O-N 3.08Å; A145-E148 PolarHBondContact O-N 3.33Å; A145-E148 VanDerWaalsContact O-N 3.08Å; A145-I149 PolarHBondContact O-N 3.07Å; A145-I151 HydrophobicContact CB-CD1 4.3Å
146H91.9Very high93.5Very high116 Ų11663 Ų6354%0.53731%0.307SS..Hα-helixtrans-63.4-22.7177.4-168.269.6000113.7P142 C144 E148 I149 I151P142-H146 WeakPolarHBondContact O-CB 3.39Å; P142-H146 PolarHBondContact O-N 3.44Å; C144-H146 PolarHBondContact O-N 2.96Å; H146-E148 VanDerWaalsContact C-N 3.33Å; H146-I149 WeakPolarHBondContact CA-O 3.06Å; H146-I151 HydrophobicContact CB-CD1 3.72Å; H146-I151 HydrophobicContact CB-CG1 4.2Å
147R91Very high93.4Very high220 Ų22059.7 Ų59.783%0.8329%0.286SS*.Hα-helixtrans-75.6-24.4175.9-62.8-67.8-174.8170.30.3112.6C144 A145C144-R147 WeakPolarHBondContact O-CB 3.46Å; C144-R147 PolarHBondContact O-N 3.37Å; A145-R147 PolarHBondContact O-N 3.08Å
148E87.2Confident93.4Very high105 Ų10559.7 Ų59.749%0.49129%0.286SS..Hα-helixtrans-97.7-39.1-177-63176.9174.200112.5K50 Y77 A145 H146K50-E148 IonicContact NZ-OE2 3.09Å; K50-E148 PolarHBondContact NZ-OE2 3.09Å; K50-E148 VanDerWaalsContact NZ-OE2 3.09Å; Y77-E148 VanDerWaalsContact CE1-OE1 3.32Å; Y77-E148 WeakPolarHBondContact CE1-OE1 3.34Å; Y77-E148 PolarHBondContact OH-OE2 2.04Å; Y77-E148 VanDerWaalsContact OH-OE2 3.13Å; A145-E148 PolarHBondContact O-N 3.33Å; A145-E148 VanDerWaalsContact O-N 3.08Å; H146-E148 VanDerWaalsContact C-N 3.33Å
149I87.4Confident93.4Very high30 Ų3065.2 Ų65.215%0.15431%0.308CS..SBendtrans-145.1148.2-171.7-168.6164.7000110.7T33 C34 K50 A145 H146 I151T33-I149 HydrophobicContact CG2-CG2 3.52Å; C34-I149 WeakPolarHBondContact O-CG1 3.23Å; K50-I149 HydrophobicContact CD-CG2 4.25Å; A145-I149 PolarHBondContact O-N 3.07Å; H146-I149 WeakPolarHBondContact CA-O 3.06Å; I149-I151 PolarHBondContact O-N 3.24Å
150T89.7Confident93.4Very high62 Ų6262.1 Ų62.138%0.3830%0.296SS..EExtended strand (participates in β ladder)trans-67.8119.8177.8-62.80000109.6T33 C34 I38T33-T150 WeakPolarHBondContact CA-O 3.32Å; C34-T150 PolarHBondContact N-O 3.22Å; I38-T150 HydrophobicContact CD1-CG2 4.04Å; I38-T150 HydrophobicContact CG1-CG2 3.95Å
151I90.7Very high93.4Very high28 Ų2855.5 Ų55.514%0.14427%0.271CS..EExtended strand (participates in β ladder)trans-82.4124.8172.9-59.7-178.9000108.4V31 T33 P142 A145 H146 I149 S153V31-I151 HydrophobicContact CB-CD1 4.31Å; V31-I151 HydrophobicContact CB-CG2 4.42Å; V31-I151 HydrophobicContact CG1-CD1 4.13Å; T33-I151 HydrophobicContact CG2-CG1 4.5Å; P142-I151 HydrophobicContact CB-CD1 4.28Å; P142-I151 VanDerWaalsContact O-CD1 3.29Å; P142-I151 WeakPolarHBondContact O-CD1 3.3Å; A145-I151 HydrophobicContact CB-CD1 4.3Å; H146-I151 HydrophobicContact CB-CD1 3.72Å; H146-I151 HydrophobicContact CB-CG1 4.2Å; I149-I151 PolarHBondContact O-N 3.24Å; I151-S153 WeakPolarHBondContact CG2-O 3.42Å
152V90.7Very high93.5Very high59 Ų5959.3 Ų59.336%0.35829%0.285SS..EExtended strand (participates in β ladder)trans-86.2-43.8175.2-179.40000110.2V32 C34V32-V152 HydrophobicContact CG1-CB 4.5Å; V32-V152 PolarHBondContact O-N 3.48Å; C34-V152 HydrophobicContact CB-CG2 3.55Å
153S93.1Very high93.7Very high58 Ų5863.9 Ų63.941%0.40631%0.309SS..EExtended strand (participates in β ladder)trans-159.2163.2-179.958.20000111.6V32 I151V32-S153 WeakPolarHBondContact CB-OG 3.38Å; V32-S153 PolarHBondContact N-O 3.04Å; V32-S153 PolarHBondContact O-N 3.44Å; I151-S153 WeakPolarHBondContact CG2-O 3.42Å
154F95.3Very high93.8Very high87 Ų8759.8 Ų59.838%0.38228%0.284SS..EExtended strand (participates in β ladder)trans-80.4138.8170.4-60.4-53.7000110.1V31 P142 L158 Y159 W162V31-F154 HydrophobicContact CG1-CD1 4.44Å; P142-F154 HydrophobicContact CB-CD1 4.39Å; P142-F154 HydrophobicContact CB-CE1 3.9Å; P142-F154 HydrophobicContact CG-CE1 4.47Å; F154-L158 HydrophobicContact CB-CD1 4.06Å; F154-L158 HydrophobicContact CD1-CD1 3.69Å; F154-L158 HydrophobicContact CG-CD1 4.17Å; F154-Y159 HydrophobicContact CB-CE2 3.96Å; F154-W162 HydrophobicContact CD2-CH2 4.08Å; F154-W162 HydrophobicContact CE2-CH2 4.25Å; F154-W162 HydrophobicContact CG-CH2 4.38Å
155G94.5Very high94Very high5 Ų558.4 Ų58.45%0.05227%0.274CS..  trans-81.2162.917600000112.3D29 W30 S157 L158 Y159D29-G155 CarbonylContact O-C 3.25Å; D29-G155 VanDerWaalsContact O-C 3.25Å; D29-G155 WeakPolarHBondContact O-CA 3.3Å; W30-G155 WeakPolarHBondContact O-CA 2.93Å; W30-G155 PolarHBondContact O-N 2.94Å; G155-S157 PolarHBondContact O-N 3.01Å; G155-S157 VanDerWaalsContact O-N 3.12Å; G155-L158 PolarHBondContact O-N 2.75Å; G155-Y159 WeakPolarHBondContact O-CD2 3Å
156Y95.1Very high94.3Very high121 Ų12162.5 Ų62.548%0.47530%0.299SS..Hα-helixtrans-60-25.6-176.869.1-96.6000113.1T27 D29 L158 Y159 A160T27-Y156 HydrophobicContact CG2-CE2 3.86Å; D29-Y156 HydrophobicContact CB-CD1 3.75Å; D29-Y156 HydrophobicContact CB-CE1 3.27Å; D29-Y156 VanDerWaalsContact CG-CE1 3.49Å; D29-Y156 PolarHBondContact O-N 2.81Å; D29-Y156 WeakPolarHBondContact OD2-CE1 3.46Å; D29-Y156 VanDerWaalsContact OD2-CZ 3.31Å; D29-Y156 PolarHBondContact OD2-OH 2.94Å; Y156-L158 VanDerWaalsContact C-N 3.32Å; Y156-L158 PolarHBondContact O-N 3.08Å; Y156-Y159 PolarHBondContact O-N 3.31Å; Y156-A160 PolarHBondContact O-N 2.85Å
157S96.1Very high94.6Very high0 Ų059.4 Ų59.40%029%0.286CS..Hα-helixtrans-62.2-41.1-179.9-49.20000111.2T24 T27 D29 G155 A160 G161T24-S157 WeakPolarHBondContact CB-O 3.48Å; T24-S157 WeakPolarHBondContact CG2-O 3.34Å; T24-S157 PolarHBondContact OG1-O 2.88Å; T27-S157 WeakPolarHBondContact CB-OG 3.49Å; T27-S157 VanDerWaalsContact OG1-CB 3.22Å; T27-S157 WeakPolarHBondContact OG1-CB 3.29Å; T27-S157 PolarHBondContact OG1-OG 2.91Å; D29-S157 PolarHBondContact N-OG 2.96Å; D29-S157 WeakPolarHBondContact O-CB 3.42Å; D29-S157 PolarHBondContact O-N 3.46Å; D29-S157 VanDerWaalsContact O-N 3.09Å; D29-S157 PolarHBondContact O-OG 3.43Å; G155-S157 PolarHBondContact O-N 3.01Å; G155-S157 VanDerWaalsContact O-N 3.12Å; S157-A160 PolarHBondContact O-N 2.83Å; S157-G161 PolarHBondContact O-N 3.42Å
158L96.4Very high94.9Very high0 Ų048.9 Ų48.90%025%0.246CC..Hα-helixtrans-66.7-42.3177.7-71.5177.2000111.7W30 V31 T138 P142 F154 G155 Y156 A160 G161 W162W30-L158 HydrophobicContact CB-CG 4.33Å; W30-L158 HydrophobicContact CD2-CD2 4.01Å; W30-L158 HydrophobicContact CE3-CD2 3.48Å; W30-L158 VanDerWaalsContact CE3-CD2 3.48Å; W30-L158 HydrophobicContact CE3-CG 4.42Å; W30-L158 HydrophobicContact CG-CD2 4.49Å; W30-L158 HydrophobicContact CZ3-CD2 3.95Å; W30-L158 WeakPolarHBondContact O-CD1 3.31Å; W30-L158 VanDerWaalsContact O-CG 3.31Å; W30-L158 WeakPolarHBondContact O-CG 2.99Å; V31-L158 HydrophobicContact CG1-CD1 3.95Å; T138-L158 HydrophobicContact CG2-CD2 4.04Å; T138-L158 WeakPolarHBondContact O-CD2 3.28Å; P142-L158 HydrophobicContact CB-CD1 4.43Å; P142-L158 HydrophobicContact CG-CD1 3.44Å; P142-L158 VanDerWaalsContact CG-CD1 3.44Å; P142-L158 HydrophobicContact CG-CD2 4.03Å; P142-L158 HydrophobicContact CG-CG 4.4Å; F154-L158 HydrophobicContact CB-CD1 4.06Å; F154-L158 HydrophobicContact CD1-CD1 3.69Å; F154-L158 HydrophobicContact CG-CD1 4.17Å; G155-L158 PolarHBondContact O-N 2.75Å; Y156-L158 VanDerWaalsContact C-N 3.32Å; Y156-L158 PolarHBondContact O-N 3.08Å; L158-A160 PolarHBondContact O-N 3.05Å; L158-G161 PolarHBondContact O-N 3.39Å; L158-G161 VanDerWaalsContact O-N 3.09Å; L158-W162 HydrophobicContact CB-CZ2 4.49Å; L158-W162 PolarHBondContact O-N 2.89Å
159Y96.5Very high95.4Very high117 Ų11746.7 Ų46.746%0.45924%0.237SC..Hα-helixtrans-61.2-45.8176.2-68.6-69.5000111.5F154 G155 Y156 G161 W162 I163F154-Y159 HydrophobicContact CB-CE2 3.96Å; G155-Y159 WeakPolarHBondContact O-CD2 3Å; Y156-Y159 PolarHBondContact O-N 3.31Å; Y159-G161 PolarHBondContact O-N 3.43Å; Y159-W162 HydrophobicContact CD1-CE3 4.13Å; Y159-W162 HydrophobicContact CD1-CZ3 4.15Å; Y159-W162 HydrophobicContact CE1-CE3 4.48Å; Y159-W162 HydrophobicContact CE1-CZ3 4.06Å; Y159-W162 PolarHBondContact O-N 3.33Å; Y159-I163 WeakPolarHBondContact O-CB 3.31Å; Y159-I163 VanDerWaalsContact O-CG1 3.25Å; Y159-I163 WeakPolarHBondContact O-CG1 3.27Å; Y159-I163 PolarHBondContact O-N 2.97Å
160A96.9Very high95.8Very high27 Ų2749 Ų4922%0.22325%0.253CS..Hα-helixtrans-59.3-36.5173.500000111.9T24 Y156 S157 L158 G164T24-A160 VanDerWaalsContact OG1-C 3.31Å; T24-A160 WeakPolarHBondContact OG1-CB 3.36Å; Y156-A160 PolarHBondContact O-N 2.85Å; S157-A160 PolarHBondContact O-N 2.83Å; L158-A160 PolarHBondContact O-N 3.05Å; A160-G164 PolarHBondContact O-N 2.97Å
161G97.6Very high96.1Very high0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-71-43.2-178.900000112.3I21 T24 S157 L158 Y159 G164 A165I21-G161 WeakPolarHBondContact CD1-O 3.18Å; T24-G161 WeakPolarHBondContact OG1-CA 3.05Å; T24-G161 PolarHBondContact OG1-N 3.4Å; S157-G161 PolarHBondContact O-N 3.42Å; L158-G161 PolarHBondContact O-N 3.39Å; L158-G161 VanDerWaalsContact O-N 3.09Å; Y159-G161 PolarHBondContact O-N 3.43Å; G161-G164 PolarHBondContact O-N 2.89Å; G161-A165 VanDerWaalsContact O-CB 3.23Å; G161-A165 WeakPolarHBondContact O-CB 3.4Å; G161-A165 PolarHBondContact O-N 2.96Å
162W98.1Very high96.3Very high84 Ų8444.7 Ų44.732%0.31823%0.228SC..Hα-helixtrans-66.5-45.7175.8-65.2-21.1000112T138 F154 L158 Y159 G164 A165 V166T138-W162 PolarHBondContact OG1-NE1 2.95Å; F154-W162 HydrophobicContact CD2-CH2 4.08Å; F154-W162 HydrophobicContact CE2-CH2 4.25Å; F154-W162 HydrophobicContact CG-CH2 4.38Å; L158-W162 HydrophobicContact CB-CZ2 4.49Å; L158-W162 PolarHBondContact O-N 2.89Å; Y159-W162 HydrophobicContact CD1-CE3 4.13Å; Y159-W162 HydrophobicContact CD1-CZ3 4.15Å; Y159-W162 HydrophobicContact CE1-CE3 4.48Å; Y159-W162 HydrophobicContact CE1-CZ3 4.06Å; Y159-W162 PolarHBondContact O-N 3.33Å; W162-G164 VanDerWaalsContact C-N 3.34Å; W162-G164 PolarHBondContact O-N 2.81Å; W162-A165 PolarHBondContact O-N 2.8Å; W162-V166 WeakPolarHBondContact O-CB 3.36Å; W162-V166 VanDerWaalsContact O-CG2 3.29Å; W162-V166 WeakPolarHBondContact O-CG2 3.42Å; W162-V166 PolarHBondContact O-N 2.93Å
163I98Very high96.5Very high106 Ų10644.5 Ų44.554%0.54423%0.228SC..Hα-helixtrans-60.2-48.1175.4-66.6166.7000109.4Y159 A165 V166 M167Y159-I163 WeakPolarHBondContact O-CB 3.31Å; Y159-I163 VanDerWaalsContact O-CG1 3.25Å; Y159-I163 WeakPolarHBondContact O-CG1 3.27Å; Y159-I163 PolarHBondContact O-N 2.97Å; I163-A165 PolarHBondContact O-N 2.96Å; I163-V166 PolarHBondContact O-N 3.4Å; I163-M167 HydrophobicContact CG2-CG 4.45Å; I163-M167 HydrophobicContact CG2-SD 4Å; I163-M167 WeakPolarHBondContact O-CB 3.45Å; I163-M167 VanDerWaalsContact O-CG 3.28Å; I163-M167 WeakPolarHBondContact O-CG 3.44Å; I163-M167 PolarHBondContact O-N 3.41Å
164G98Very high96.5Very high1 Ų143.7 Ų43.71%0.0122%0.221CC..Hα-helixtrans-59.5-45178.800000112.9G17 A160 G161 W162 M167 C168G17-G164 WeakPolarHBondContact CA-O 3.44Å; G17-G164 WeakPolarHBondContact O-CA 3.48Å; A160-G164 PolarHBondContact O-N 2.97Å; G161-G164 PolarHBondContact O-N 2.89Å; W162-G164 VanDerWaalsContact C-N 3.34Å; W162-G164 PolarHBondContact O-N 2.81Å; G164-M167 PolarHBondContact O-N 3.19Å; G164-C168 PolarHBondContact O-N 3.37Å; G164-C168 PolarHBondContact O-SG 3.1Å; G164-C168 VanDerWaalsContact O-SG 3.41Å
165A98Very high96.4Very high0 Ų039.7 Ų39.70%020%0.203CC..Hα-helixtrans-66.1-42.2178.600000112.6I21 A131 A134 I135 G161 W162 I163 M167 C168 L169I21-A165 HydrophobicContact CD1-CB 4.27Å; A131-A165 HydrophobicContact CB-CB 4.45Å; A131-A165 WeakPolarHBondContact CB-O 3.43Å; A134-A165 HydrophobicContact CB-CB 4.28Å; I135-A165 HydrophobicContact CD1-CB 4.11Å; I135-A165 HydrophobicContact CG1-CB 3.65Å; G161-A165 VanDerWaalsContact O-CB 3.23Å; G161-A165 WeakPolarHBondContact O-CB 3.4Å; G161-A165 PolarHBondContact O-N 2.96Å; W162-A165 PolarHBondContact O-N 2.8Å; I163-A165 PolarHBondContact O-N 2.96Å; A165-M167 VanDerWaalsContact C-N 3.34Å; A165-M167 PolarHBondContact O-N 2.84Å; A165-C168 PolarHBondContact O-N 2.82Å; A165-L169 VanDerWaalsContact O-CB 3.3Å; A165-L169 WeakPolarHBondContact O-CB 3.48Å; A165-L169 PolarHBondContact O-N 3.38Å
166V98.1Very high96.3Very high86 Ų8641.3 Ų41.352%0.52121%0.212SC..Hα-helixtrans-62-43.8175.31700000110.5W162 I163 L169 V170W162-V166 WeakPolarHBondContact O-CB 3.36Å; W162-V166 VanDerWaalsContact O-CG2 3.29Å; W162-V166 WeakPolarHBondContact O-CG2 3.42Å; W162-V166 PolarHBondContact O-N 2.93Å; I163-V166 PolarHBondContact O-N 3.4Å; V166-L169 PolarHBondContact O-N 2.93Å; V166-V170 HydrophobicContact CG1-CG2 4.27Å; V166-V170 WeakPolarHBondContact O-CB 3.32Å; V166-V170 VanDerWaalsContact O-CG2 3.3Å; V166-V170 WeakPolarHBondContact O-CG2 3.37Å; V166-V170 PolarHBondContact O-N 2.89Å
167M97.7Very high96Very high51 Ų5139.7 Ų39.725%0.25122%0.217SC..Hα-helixtrans-62.3-44177.3-71.2-177.975.600112.2V16 I163 G164 A165 G171V16-M167 HydrophobicContact CB-CE 3.63Å; V16-M167 HydrophobicContact CG1-CE 3.56Å; V16-M167 HydrophobicContact CG1-SD 4.03Å; I163-M167 HydrophobicContact CG2-CG 4.45Å; I163-M167 HydrophobicContact CG2-SD 4Å; I163-M167 WeakPolarHBondContact O-CB 3.45Å; I163-M167 VanDerWaalsContact O-CG 3.28Å; I163-M167 WeakPolarHBondContact O-CG 3.44Å; I163-M167 PolarHBondContact O-N 3.41Å; G164-M167 PolarHBondContact O-N 3.19Å; A165-M167 VanDerWaalsContact C-N 3.34Å; A165-M167 PolarHBondContact O-N 2.84Å; M167-G171 PolarHBondContact O-N 3Å
168C97.8Very high95.5Very high0 Ų040.4 Ų40.40%022%0.222CC..Hα-helixtrans-65.1-40.2174.8-73.50000112.6W18 L130 A131 G164 A165 G172W18-C168 PolarHBondContact N-SG 2.73Å; W18-C168 VanDerWaalsContact N-SG 3.35Å; L130-C168 HydrophobicContact CD2-CB 3.91Å; A131-C168 HydrophobicContact CB-CB 4.02Å; G164-C168 PolarHBondContact O-N 3.37Å; G164-C168 PolarHBondContact O-SG 3.1Å; G164-C168 VanDerWaalsContact O-SG 3.41Å; A165-C168 PolarHBondContact O-N 2.82Å; C168-G172 PolarHBondContact O-N 2.76Å
169L97.3Very high94.6Very high58 Ų5840.5 Ų40.530%0.30422%0.223SC..Hα-helixtrans-65.5-48.8178.5-172.172.3000110.7I128 A131 A165 V166 G172 C173I128-L169 HydrophobicContact CG1-CD1 4.42Å; I128-L169 HydrophobicContact CG2-CD1 4.12Å; A131-L169 HydrophobicContact CB-CB 4.07Å; A131-L169 HydrophobicContact CB-CD1 4.43Å; A165-L169 VanDerWaalsContact O-CB 3.3Å; A165-L169 WeakPolarHBondContact O-CB 3.48Å; A165-L169 PolarHBondContact O-N 3.38Å; V166-L169 PolarHBondContact O-N 2.93Å; L169-G172 PolarHBondContact O-N 2.78Å; L169-C173 VanDerWaalsContact O-CB 3.31Å; L169-C173 WeakPolarHBondContact O-CB 3.29Å; L169-C173 PolarHBondContact O-N 3.38Å; L169-C173 PolarHBondContact O-SG 3.48Å
170V96.4Very high93.2Very high79 Ų7936 Ų3648%0.47921%0.212SC..Hα-helixtrans-62.9-47.9177.6171.60000110.6V166 C173 V174V166-V170 HydrophobicContact CG1-CG2 4.27Å; V166-V170 WeakPolarHBondContact O-CB 3.32Å; V166-V170 VanDerWaalsContact O-CG2 3.3Å; V166-V170 WeakPolarHBondContact O-CG2 3.37Å; V166-V170 PolarHBondContact O-N 2.89Å; V170-C173 PolarHBondContact O-N 3.44Å; V170-V174 HydrophobicContact CG1-CG2 4.39Å; V170-V174 WeakPolarHBondContact O-CB 3.41Å; V170-V174 VanDerWaalsContact O-CG2 3.24Å; V170-V174 WeakPolarHBondContact O-CG2 3.33Å; V170-V174 PolarHBondContact O-N 3.02Å
171G95.8Very high91.4Very high0 Ų040 Ų400%023%0.23CC..Hα-helixtrans-60.7-47.1177.900000112.3S14 M167 V174 I175S14-G171 WeakPolarHBondContact OG-CA 3.35Å; M167-G171 PolarHBondContact O-N 3Å; G171-V174 PolarHBondContact O-N 2.81Å; G171-I175 WeakPolarHBondContact O-CB 3.18Å; G171-I175 VanDerWaalsContact O-CD1 3.26Å; G171-I175 WeakPolarHBondContact O-CD1 3.36Å; G171-I175 VanDerWaalsContact O-CG1 3.28Å; G171-I175 WeakPolarHBondContact O-CG1 2.95Å; G171-I175 PolarHBondContact O-N 3.32Å
172G95.7Very high89.4Confident0 Ų042.8 Ų42.80%025%0.253CS..Hα-helixtrans-58.8-48.1176.100000112.7C168 L169 I175 V176C168-G172 PolarHBondContact O-N 2.76Å; L169-G172 PolarHBondContact O-N 2.78Å; G172-I175 PolarHBondContact O-N 3.33Å; G172-V176 WeakPolarHBondContact O-CB 3.26Å; G172-V176 WeakPolarHBondContact O-CG2 3.34Å; G172-V176 PolarHBondContact O-N 2.91Å
173C94.9Very high87.4Confident55 Ų5541.9 Ų41.937%0.37225%0.252SS..Hα-helixtrans-60.9-46175.9-72.40000112.1L169 V170 I175 V176 C177L169-C173 VanDerWaalsContact O-CB 3.31Å; L169-C173 WeakPolarHBondContact O-CB 3.29Å; L169-C173 PolarHBondContact O-N 3.38Å; L169-C173 PolarHBondContact O-SG 3.48Å; V170-C173 PolarHBondContact O-N 3.44Å; C173-I175 VanDerWaalsContact C-N 3.3Å; C173-I175 PolarHBondContact O-N 3.14Å; C173-V176 PolarHBondContact O-N 2.76Å; C173-C177 WeakPolarHBondContact O-CB 3.06Å; C173-C177 PolarHBondContact O-N 2.96Å; C173-C177 PolarHBondContact O-SG 2.82Å
174V93Very high85.2Confident40 Ų4040.1 Ų40.124%0.24225%0.249CC..Hα-helixtrans-58.6-43.8176.9168.10000110.7L6 V170 G171 C178L6-V174 HydrophobicContact CB-CG1 4.07Å; V170-V174 HydrophobicContact CG1-CG2 4.39Å; V170-V174 WeakPolarHBondContact O-CB 3.41Å; V170-V174 VanDerWaalsContact O-CG2 3.24Å; V170-V174 WeakPolarHBondContact O-CG2 3.33Å; V170-V174 PolarHBondContact O-N 3.02Å; G171-V174 PolarHBondContact O-N 2.81Å; V174-C178 WeakPolarHBondContact O-CB 3.49Å; V174-C178 PolarHBondContact O-N 3.41Å; V174-C178 PolarHBondContact O-SG 3.43Å
175I92.2Very high83Confident4 Ų448.2 Ų48.22%0.02128%0.284CS..Hα-helixtrans-66.3-45.4179.4-71.1154.9000111.4L99 A120 L127 G171 G172 C173 S179L99-I175 HydrophobicContact CD1-CD1 3.41Å; L99-I175 VanDerWaalsContact CD1-CD1 3.41Å; L99-I175 HydrophobicContact CD2-CB 4.48Å; L99-I175 HydrophobicContact CD2-CD1 3.39Å; L99-I175 HydrophobicContact CD2-CG1 4.07Å; L99-I175 HydrophobicContact CD2-CG2 3.79Å; L99-I175 HydrophobicContact CG-CD1 4.05Å; A120-I175 HydrophobicContact CB-CG2 4.31Å; A120-I175 WeakPolarHBondContact O-CG2 3.32Å; L127-I175 HydrophobicContact CD1-CD1 4.26Å; G171-I175 WeakPolarHBondContact O-CB 3.18Å; G171-I175 VanDerWaalsContact O-CD1 3.26Å; G171-I175 WeakPolarHBondContact O-CD1 3.36Å; G171-I175 VanDerWaalsContact O-CG1 3.28Å; G171-I175 WeakPolarHBondContact O-CG1 2.95Å; G171-I175 PolarHBondContact O-N 3.32Å; G172-I175 PolarHBondContact O-N 3.33Å; C173-I175 VanDerWaalsContact C-N 3.3Å; C173-I175 PolarHBondContact O-N 3.14Å; I175-S179 VanDerWaalsContact O-CB 3.25Å; I175-S179 WeakPolarHBondContact O-CB 3.33Å; I175-S179 PolarHBondContact O-N 3.48Å; I175-S179 VanDerWaalsContact O-N 3.12Å; I175-S179 PolarHBondContact O-OG 2.9Å
176V92.2Very high80.9Confident38 Ų3849.5 Ų49.523%0.2330%0.298CS..Hα-helixtrans-61.1-47.2177.4167.30000110.8Q121 I128 G172 C173Q121-V176 PolarHBondContact NE2-O 2.81Å; I128-V176 HydrophobicContact CD1-CG2 4.14Å; G172-V176 WeakPolarHBondContact O-CB 3.26Å; G172-V176 WeakPolarHBondContact O-CG2 3.34Å; G172-V176 PolarHBondContact O-N 2.91Å; C173-V176 PolarHBondContact O-N 2.76Å
177C89.1Confident78.6Confident87 Ų8749.9 Ų49.959%0.58829%0.294SS*.Hα-helixtrans-68.1-48.6-178.8-65.70000112.2C173 S179 G180C173-C177 WeakPolarHBondContact O-CB 3.06Å; C173-C177 PolarHBondContact O-N 2.96Å; C173-C177 PolarHBondContact O-SG 2.82Å; C177-S179 VanDerWaalsContact C-N 3.26Å; C177-S179 PolarHBondContact O-N 2.91Å; C177-G180 PolarHBondContact O-N 2.93Å
178C85Confident76.3Confident16 Ų1652.4 Ų52.411%0.10831%0.309CS..Hα-helixtrans-70.2-23.1-175.9-64.40000113.4L6 V174 G180L6-C178 VanDerWaalsContact CD1-SG 3.58Å; V174-C178 WeakPolarHBondContact O-CB 3.49Å; V174-C178 PolarHBondContact O-N 3.41Å; V174-C178 PolarHBondContact O-SG 3.43Å; C178-G180 VanDerWaalsContact C-N 3.31Å
179S77.4Confident74Confident2 Ų262 Ų621%0.01435%0.345CS..Hα-helixtrans-69-33178.5-63.70000111.3Y117 A120 I175 C177 A182Y117-S179 WeakPolarHBondContact CD2-O 3.45Å; Y117-S179 WeakPolarHBondContact CE2-O 3.27Å; A120-S179 VanDerWaalsContact CB-OG 3.23Å; A120-S179 WeakPolarHBondContact CB-OG 3.46Å; I175-S179 VanDerWaalsContact O-CB 3.25Å; I175-S179 WeakPolarHBondContact O-CB 3.33Å; I175-S179 PolarHBondContact O-N 3.48Å; I175-S179 VanDerWaalsContact O-N 3.12Å; I175-S179 PolarHBondContact O-OG 2.9Å; C177-S179 VanDerWaalsContact C-N 3.26Å; C177-S179 PolarHBondContact O-N 2.91Å; S179-A182 PolarHBondContact O-N 3.45Å
180G66.9Low71.8Confident23 Ų2367 Ų6724%0.23736%0.364CS..Hα-helixtrans-63.7-42.3-178.400000113.1C177 C178 A182 Q183 S184C177-G180 PolarHBondContact O-N 2.93Å; C178-G180 VanDerWaalsContact C-N 3.31Å; G180-A182 VanDerWaalsContact C-N 3.28Å; G180-A182 PolarHBondContact O-N 3.03Å; G180-Q183 PolarHBondContact O-N 3.12Å; G180-S184 PolarHBondContact O-N 3.34Å
181D59.7Low69.3Low110 Ų11071 Ų7159%0.58837%0.372SS*.Hα-helixtrans-66.6-29.5-178.1-67.7-26.7000113.2Q183 S184 F185D181-Q183 VanDerWaalsContact C-N 3.3Å; D181-Q183 PolarHBondContact O-N 3.44Å; D181-S184 PolarHBondContact O-N 3.44Å; D181-F185 PolarHBondContact O-N 3.09Å
182A56.8Low66.9Low59 Ų5980.6 Ų80.649%0.48841%0.41SS..Hα-helixtrans-68-30.5178.500000112.3S179 G180 G186S179-A182 PolarHBondContact O-N 3.45Å; G180-A182 VanDerWaalsContact C-N 3.28Å; G180-A182 PolarHBondContact O-N 3.03Å; A182-G186 PolarHBondContact O-N 3.42Å
183Q54.7Low64.7Low64 Ų6485.2 Ų85.230%0.29944%0.442SS..Hα-helixtrans-74-42176.3-168.7-179.5-28.300111.1G180 D181 F185 G186 E187G180-Q183 PolarHBondContact O-N 3.12Å; D181-Q183 VanDerWaalsContact C-N 3.3Å; D181-Q183 PolarHBondContact O-N 3.44Å; Q183-F185 PolarHBondContact O-N 2.99Å; Q183-G186 PolarHBondContact O-N 3.08Å; Q183-E187 PolarHBondContact NE2-OE2 3.09Å; Q183-E187 VanDerWaalsContact NE2-OE2 3.09Å; Q183-E187 PolarHBondContact O-N 3.13Å
184S52.2Low62.7Low69 Ų6986.8 Ų86.848%0.48345%0.454SS..Hα-helixtrans-56.5-36.8175.8-59.50000112.3G180 D181 N188G180-S184 PolarHBondContact O-N 3.34Å; D181-S184 PolarHBondContact O-N 3.44Å; S184-N188 WeakPolarHBondContact O-CB 3.31Å; S184-N188 PolarHBondContact O-N 3.02Å; S184-N188 PolarHBondContact O-ND2 3.4Å; S184-N188 VanDerWaalsContact O-ND2 3.15Å
185F52.4Low60.6Low171 Ų17188 Ų8875%0.7547%0.474SS*.Hα-helixtrans-72.8-33.8174-99.6-84.3000113.9D181 Q183 R189D181-F185 PolarHBondContact O-N 3.09Å; Q183-F185 PolarHBondContact O-N 2.99Å; F185-R189 PolarHBondContact O-N 3.1Å
186G52.8Low58.3Low28 Ų2892.2 Ų92.229%0.28950%0.504SS..Hα-helixtrans-72.7-45.2178.800000112.5A182 Q183 R189 F190A182-G186 PolarHBondContact O-N 3.42Å; Q183-G186 PolarHBondContact O-N 3.08Å; G186-R189 WeakPolarHBondContact O-CB 3.5Å; G186-R189 PolarHBondContact O-N 3.09Å; G186-R189 VanDerWaalsContact O-N 3.09Å; G186-F190 WeakPolarHBondContact O-CD2 3.22Å; G186-F190 PolarHBondContact O-N 3.47Å; G186-F190 VanDerWaalsContact O-N 3.11Å
187E50.9Low55.8Low94 Ų9495.7 Ų95.744%0.43953%0.53SS..Hα-helixtrans-63.8-43.9-179.6-133.5168.6118.300111.1Q183 R189 F190 Y191Q183-E187 PolarHBondContact NE2-OE2 3.09Å; Q183-E187 VanDerWaalsContact NE2-OE2 3.09Å; Q183-E187 PolarHBondContact O-N 3.13Å; E187-R189 PolarHBondContact O-N 3.38Å; E187-R189 VanDerWaalsContact O-N 3.17Å; E187-F190 PolarHBondContact O-N 3.22Å; E187-F190 VanDerWaalsContact O-N 3.09Å; E187-Y191 HydrophobicContact CG-CD2 4.48Å; E187-Y191 HydrophobicContact CG-CE2 4.21Å; E187-Y191 VanDerWaalsContact O-CD2 3.29Å; E187-Y191 WeakPolarHBondContact O-CD2 3.45Å; E187-Y191 PolarHBondContact O-N 3.2Å
188N49.5Very low53.5Low104 Ų10496 Ų9656%0.55653%0.533SS*.Hα-helixtrans-59.7-28.6174.1-73.6-16.4000113.1S184 Y192S184-N188 WeakPolarHBondContact O-CB 3.31Å; S184-N188 PolarHBondContact O-N 3.02Å; S184-N188 PolarHBondContact O-ND2 3.4Å; S184-N188 VanDerWaalsContact O-ND2 3.15Å; N188-Y192 WeakPolarHBondContact O-CB 3.43Å; N188-Y192 PolarHBondContact O-N 3.27Å; N188-Y192 VanDerWaalsContact O-N 3.09Å
189R50Low51.3Low202 Ų202101.3 Ų101.376%0.76257%0.567SS**Hα-helixtrans-77-35.9176.4-125.2179.3-172.81781.9112.7F185 G186 E187 S193F185-R189 PolarHBondContact O-N 3.1Å; G186-R189 WeakPolarHBondContact O-CB 3.5Å; G186-R189 PolarHBondContact O-N 3.09Å; G186-R189 VanDerWaalsContact O-N 3.09Å; E187-R189 PolarHBondContact O-N 3.38Å; E187-R189 VanDerWaalsContact O-N 3.17Å; R189-S193 WeakPolarHBondContact O-CB 3.4Å; R189-S193 PolarHBondContact O-N 2.01Å
190F49.5Very low49.8Very low161 Ų161107.4 Ų107.471%0.70661%0.605SS**Hα-helixtrans-68.3-39.9174-78.3-74000111.5G186 E187 S193 S194G186-F190 WeakPolarHBondContact O-CD2 3.22Å; G186-F190 PolarHBondContact O-N 3.47Å; G186-F190 VanDerWaalsContact O-N 3.11Å; E187-F190 PolarHBondContact O-N 3.22Å; E187-F190 VanDerWaalsContact O-N 3.09Å; F190-S193 PolarHBondContact O-N 3.22Å; F190-S194 PolarHBondContact O-N 3.08Å; F190-S194 VanDerWaalsContact O-N 3.1Å; F190-S194 PolarHBondContact O-OG 3.02Å
191Y45.5Very low48.7Very low163 Ų163113.9 Ų113.964%0.63963%0.629SS**Hα-helixtrans-66.8-37.3174.3-81.4-77.2000113.3E187 S194 G195E187-Y191 HydrophobicContact CG-CD2 4.48Å; E187-Y191 HydrophobicContact CG-CE2 4.21Å; E187-Y191 VanDerWaalsContact O-CD2 3.29Å; E187-Y191 WeakPolarHBondContact O-CD2 3.45Å; E187-Y191 PolarHBondContact O-N 3.2Å; Y191-S194 PolarHBondContact O-OG 3.05Å; Y191-G195 PolarHBondContact O-N 3.47Å
192Y45.4Very low47.9Very low202 Ų202113.9 Ų113.979%0.79264%0.644SS**Hα-helixtrans-71.4-30174.1-106.7-87000113.3N188N188-Y192 WeakPolarHBondContact O-CB 3.43Å; N188-Y192 PolarHBondContact O-N 3.27Å; N188-Y192 VanDerWaalsContact O-N 3.09Å
193S49.6Very low47.3Very low97 Ų97119.2 Ų119.268%0.67866%0.656SS**Hα-helixtrans-77.6-23.1177.5-173.70000113.3R189 F190R189-S193 WeakPolarHBondContact O-CB 3.4Å; R189-S193 PolarHBondContact O-N 2.01Å; F190-S193 PolarHBondContact O-N 3.22Å
194S51.5Low47.1Very low88 Ų88122 Ų12262%0.61568%0.682SS**Hα-helixtrans-92.1-10.3177.467.60000114F190 Y191F190-S194 PolarHBondContact O-N 3.08Å; F190-S194 VanDerWaalsContact O-N 3.1Å; F190-S194 PolarHBondContact O-OG 3.02Å; Y191-S194 PolarHBondContact O-OG 3.05Å
195G49Very low46.8Very low65 Ų65123.4 Ų123.467%0.6770%0.698SS**SBendtrans-94.42.7-179.200000115.9Y191Y191-G195 PolarHBondContact O-N 3.47Å
196S43.6Very low46.5Very low94 Ų94124.5 Ų124.566%0.65771%0.705SS**  trans-103.820.8-173.4-175.40000114.8S198S196-S198 VanDerWaalsContact C-N 3.32Å; S196-S198 PolarHBondContact O-N 2.85Å
197S40Very low46.5Very low111 Ų111133 Ų13378%0.77675%0.751SS**  trans-82.482.3160.659.90000109.1
198S40.3Very low46.2Very low92 Ų92134.9 Ų134.964%0.64377%0.767SS**  trans-56.4141.5172.2-82.30000111.9S196 T200S196-S198 VanDerWaalsContact C-N 3.32Å; S196-S198 PolarHBondContact O-N 2.85Å; S198-T200 PolarHBondContact O-N 3.36Å; S198-T200 VanDerWaalsContact O-N 3.16Å
199P39.1Very low46.1Very low128 Ų128136.5 Ų136.583%0.83178%0.778SS**  trans-81.989.7171.733.2-29.5000109.1H201P199-H201 PolarHBondContact O-N 3.17Å; P199-H201 VanDerWaalsContact O-N 3.09Å
200T45.8Very low45.9Very low130 Ų130132.9 Ų132.980%0.79878%0.779SS**  trans-81.886.7169.943.80000110.5S198S198-T200 PolarHBondContact O-N 3.36Å; S198-T200 VanDerWaalsContact O-N 3.16Å
201H45.5Very low45.6Very low160 Ų160131.2 Ų131.274%0.74178%0.783SS**  54.671.9129.8-147.6-93.4000118P199 K203P199-H201 PolarHBondContact O-N 3.17Å; P199-H201 VanDerWaalsContact O-N 3.09Å; H201-K203 PolarHBondContact O-N 2.83Å
202A42.5Very low45.7Very low109 Ų109129.3 Ų129.390%0.90179%0.792SS**  trans-78.386.3159.900000110.1
203K43.9Very low45.7Very low171 Ų171124.4 Ų124.474%0.74379%0.792SS**  trans-164.2100.4164.6-142.8173.7-175.8174.70111H201H201-K203 PolarHBondContact O-N 2.83Å
204S49.2Very low45.4Very low122 Ų122126.4 Ų126.485%0.85380%0.8SS**  trans164.1140135.147.50000113.4
205A47.7Very low44.9Very low100 Ų100129.3 Ų129.383%0.82681%0.814SS**  trans77.783.7159.400000119
206H46Very low44.6Very low193 Ų193134.7 Ų134.789%0.89483%0.826SS**  trans-103.4116.2141.1-141.3-71.5000106.3
207V51.5Low44.7Very low206 Ų206138.4 Ų138.4100%1.24884%0.841SS**  trans-125.50156.1175.10000105.2

Retrieved 207 of 207 residues in 486 ms (Link to these results)

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