A0A087Y9F7_POEFO Loading...

Calcium and integrin binding 1 (calmyrin)

AlphaFold DB , UniProt , Accession A0A087Y9F7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 189 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
1M36Very low45.2Very low253 Ų253121.2 Ų121.2100%1.24671%0.71SS**  0103.90-65.8-147.2-106.200107.1
2G38.3Very low46.7Very low74 Ų74114.2 Ų114.276%0.76367%0.673SS**  trans-135.894.1-173.700000109.2
3T36.6Very low48.4Very low119 Ų119106.6 Ų106.673%0.7363%0.628SS**  trans-146.369.9179.3-55.40000108.7
4T41.1Very low49.8Very low134 Ų134101.9 Ų101.982%0.82260%0.603SS**SBendtrans-136-3.8163.952.70000112.7
5A41.2Very low51.3Low82 Ų82101.5 Ų101.568%0.67859%0.593SS**SBendtrans-90.37.9177.700000114
6S42.5Very low52.6Low103 Ų10397.7 Ų97.772%0.7257%0.566SS**  trans-108.513.3-171-59.10000114.9
7Q46.8Very low53.8Low186 Ų18696.6 Ų96.687%0.86955%0.554SS**  trans-106.67.1-178.4-97.5-176.2-21.100115.5A9Q7-A9 VanDerWaalsContact C-N 3.3Å; Q7-A9 PolarHBondContact O-N 3.3Å
8L50.7Low54.8Low28 Ų28100.6 Ų100.615%0.14757%0.567CS.*SBendtrans-7299.1155.9-15972.2000105.9K10 L13 Y16 I27 H31 F86L8-K10 PolarHBondContact O-N 3.21Å; L8-L13 HydrophobicContact CB-CD1 4.5Å; L8-L13 HydrophobicContact CD2-CD1 3.92Å; L8-L13 HydrophobicContact CD2-CG 3.86Å; L8-L13 HydrophobicContact CG-CD1 4.39Å; L8-L13 HydrophobicContact CG-CG 4.49Å; L8-Y16 HydrophobicContact CD1-CE2 4.31Å; L8-I27 HydrophobicContact CD2-CG2 4.28Å; L8-H31 HydrophobicContact CD2-CB 4.15Å; L8-F86 HydrophobicContact CD1-CD1 4.3Å; L8-F86 HydrophobicContact CD1-CE1 3.74Å; L8-F86 HydrophobicContact CD1-CZ 4.37Å; L8-F86 HydrophobicContact CD2-CE1 4.03Å; L8-F86 HydrophobicContact CD2-CZ 4Å
9A55.1Low55.6Low46 Ų46102.2 Ų102.238%0.3857%0.573SS.*  trans-51.8133-174.700000109Q7 D11 S12 L13Q7-A9 VanDerWaalsContact C-N 3.3Å; Q7-A9 PolarHBondContact O-N 3.3Å; A9-D11 HydrophobicContact CB-CB 4.34Å; A9-D11 PolarHBondContact O-N 2.99Å; A9-S12 PolarHBondContact O-N 3.11Å; A9-L13 PolarHBondContact O-N 3.16Å
10K53Low56.3Low187 Ų18797.8 Ų97.881%0.81355%0.549SS*.Hα-helixtrans-52.6-23.5174-80.8176.7174.6177.10112.6L8 S14L8-K10 PolarHBondContact O-N 3.21Å; K10-S14 PolarHBondContact O-N 3.25Å; K10-S14 PolarHBondContact O-OG 2.76Å
11D56Low57Low121 Ų12197.5 Ų97.565%0.64754%0.542SS*.Hα-helixtrans-67.4-59.1172.7-139.2-125.2000110.8A9 L13 S14 E15A9-D11 HydrophobicContact CB-CB 4.34Å; A9-D11 PolarHBondContact O-N 2.99Å; D11-L13 PolarHBondContact O-N 2.71Å; D11-S14 WeakPolarHBondContact O-CA 3.35Å; D11-S14 WeakPolarHBondContact O-CB 3.3Å; D11-S14 PolarHBondContact O-N 3.42Å; D11-E15 PolarHBondContact O-N 2.75Å
12S63.6Low58.8Low37 Ų3785.9 Ų85.926%0.25949%0.485SS..Hα-helixtrans-58.5-35.1175.6-47.20000112.6A9 S14 E15 Y16A9-S12 PolarHBondContact O-N 3.11Å; S12-S14 VanDerWaalsContact C-N 3.26Å; S12-S14 PolarHBondContact O-N 2.9Å; S12-E15 WeakPolarHBondContact CA-OE2 3.42Å; S12-E15 PolarHBondContact N-OE2 2.94Å; S12-E15 PolarHBondContact O-N 3.48Å; S12-Y16 WeakPolarHBondContact O-CB 3.41Å; S12-Y16 WeakPolarHBondContact O-CD2 3.2Å; S12-Y16 VanDerWaalsContact O-CG 3.27Å; S12-Y16 PolarHBondContact O-N 3.35Å
13L67.8Low60.8Low16 Ų1685.8 Ų85.88%0.08447%0.469CS..Hα-helixtrans-65.1-30.4174.9-120.7154.5000113.1L8 A9 D11 Q17 K24 I27 L28L8-L13 HydrophobicContact CB-CD1 4.5Å; L8-L13 HydrophobicContact CD2-CD1 3.92Å; L8-L13 HydrophobicContact CD2-CG 3.86Å; L8-L13 HydrophobicContact CG-CD1 4.39Å; L8-L13 HydrophobicContact CG-CG 4.49Å; A9-L13 PolarHBondContact O-N 3.16Å; D11-L13 PolarHBondContact O-N 2.71Å; L13-Q17 WeakPolarHBondContact O-CB 3.21Å; L13-Q17 PolarHBondContact O-N 3.06Å; L13-K24 HydrophobicContact CD2-CB 4.16Å; L13-K24 HydrophobicContact CD2-CG 4.4Å; L13-I27 HydrophobicContact CD2-CB 3.98Å; L13-I27 HydrophobicContact CD2-CD1 4.45Å; L13-I27 HydrophobicContact CD2-CG2 3.72Å; L13-I27 HydrophobicContact CG-CG2 4.19Å; L13-L28 HydrophobicContact CD1-CD2 3.8Å; L13-L28 HydrophobicContact CD1-CG 4.24Å; L13-L28 HydrophobicContact CD2-CG 4.38Å
14S69.1Low62.8Low41 Ų4185 Ų8529%0.28746%0.456SS..Hα-helixtrans-79.8-41.4174.6-54.20000110K10 D11 S12 Y16 Q17 E18K10-S14 PolarHBondContact O-N 3.25Å; K10-S14 PolarHBondContact O-OG 2.76Å; D11-S14 WeakPolarHBondContact O-CA 3.35Å; D11-S14 WeakPolarHBondContact O-CB 3.3Å; D11-S14 PolarHBondContact O-N 3.42Å; S12-S14 VanDerWaalsContact C-N 3.26Å; S12-S14 PolarHBondContact O-N 2.9Å; S14-Y16 PolarHBondContact O-N 2.86Å; S14-Q17 CarbonylContact O-C 3.55Å; S14-Q17 PolarHBondContact O-N 3.28Å; S14-Q17 VanDerWaalsContact O-N 3.14Å; S14-E18 WeakPolarHBondContact O-CG 3.44Å; S14-E18 PolarHBondContact O-N 3.48Å
15E71.3Confident64.6Low96 Ų9686.3 Ų86.345%0.44945%0.453SS..Hα-helixtrans-57.7-48.9171.9-70.2170.892.500111.7D11 S12 Q17 E18 L19D11-E15 PolarHBondContact O-N 2.75Å; S12-E15 WeakPolarHBondContact CA-OE2 3.42Å; S12-E15 PolarHBondContact N-OE2 2.94Å; S12-E15 PolarHBondContact O-N 3.48Å; E15-Q17 VanDerWaalsContact C-N 3.26Å; E15-Q17 PolarHBondContact O-N 3.31Å; E15-E18 CarbonylContact O-C 3.6Å; E15-E18 PolarHBondContact O-N 2.89Å; E15-L19 WeakPolarHBondContact O-CB 3.35Å; E15-L19 WeakPolarHBondContact O-CG 3.33Å; E15-L19 PolarHBondContact O-N 3Å
16Y72.2Confident66.5Low40 Ų4086.1 Ų86.116%0.15744%0.438CS..Hα-helixtrans-61.4-35176-69.7-53.9000112.1L8 S12 S14 E18 L19 T20 F86 E87 L90L8-Y16 HydrophobicContact CD1-CE2 4.31Å; S12-Y16 WeakPolarHBondContact O-CB 3.41Å; S12-Y16 WeakPolarHBondContact O-CD2 3.2Å; S12-Y16 VanDerWaalsContact O-CG 3.27Å; S12-Y16 PolarHBondContact O-N 3.35Å; S14-Y16 PolarHBondContact O-N 2.86Å; Y16-E18 VanDerWaalsContact C-N 3.33Å; Y16-L19 PolarHBondContact O-N 2.99Å; Y16-T20 VanDerWaalsContact O-CB 3.26Å; Y16-T20 WeakPolarHBondContact O-CB 3.36Å; Y16-T20 WeakPolarHBondContact O-CG2 3.39Å; Y16-T20 PolarHBondContact O-N 3.36Å; Y16-T20 PolarHBondContact O-OG1 3.11Å; Y16-F86 HydrophobicContact CD2-CE1 4.16Å; Y16-F86 HydrophobicContact CE2-CD1 4.21Å; Y16-F86 AromaticContact CE2-CE1 3.79Å; Y16-F86 HydrophobicContact CE2-CE1 3.79Å; Y16-E87 HydrophobicContact CE1-CG 3.93Å; Y16-L90 HydrophobicContact CD1-CD1 3.58Å; Y16-L90 HydrophobicContact CD2-CD1 3.98Å; Y16-L90 HydrophobicContact CE1-CD1 4.06Å; Y16-L90 HydrophobicContact CE2-CD1 4.44Å; Y16-L90 HydrophobicContact CG-CD1 3.57Å
17Q74.3Confident68.3Low80 Ų8081.2 Ų81.237%0.37440%0.404SS..Hα-helixtrans-73.4-25.9175.6-160-156.7-57.300112.7L13 S14 E15 T20 L22 I27L13-Q17 WeakPolarHBondContact O-CB 3.21Å; L13-Q17 PolarHBondContact O-N 3.06Å; S14-Q17 CarbonylContact O-C 3.55Å; S14-Q17 PolarHBondContact O-N 3.28Å; S14-Q17 VanDerWaalsContact O-N 3.14Å; E15-Q17 VanDerWaalsContact C-N 3.26Å; E15-Q17 PolarHBondContact O-N 3.31Å; Q17-T20 VanDerWaalsContact O-O 3.04Å; Q17-L22 WeakPolarHBondContact CG-O 3.03Å; Q17-I27 HydrophobicContact CB-CD1 3.96Å; Q17-I27 HydrophobicContact CG-CD1 4.4Å
18E71.8Confident69.8Low167 Ų16776.5 Ų76.578%0.7838%0.384SS*.Hα-helixtrans-81-28.1173.5-70.8-169.6101.800111.9S14 E15 Y16S14-E18 WeakPolarHBondContact O-CG 3.44Å; S14-E18 PolarHBondContact O-N 3.48Å; E15-E18 CarbonylContact O-C 3.6Å; E15-E18 PolarHBondContact O-N 2.89Å; Y16-E18 VanDerWaalsContact C-N 3.33Å
19L69Low71.2Confident132 Ų13280.3 Ų80.369%0.69140%0.404SS*.Hα-helixtrans-91.4-19-179.8-65.3170.2000113.5E15 Y16E15-L19 WeakPolarHBondContact O-CB 3.35Å; E15-L19 WeakPolarHBondContact O-CG 3.33Å; E15-L19 PolarHBondContact O-N 3Å; Y16-L19 PolarHBondContact O-N 2.99Å
20T70.1Confident72.3Confident14 Ų1478.2 Ų78.29%0.08639%0.387CS..SBendtrans-125.5155.7-178.670.40000111.8Y16 Q17 L22 L90 S94Y16-T20 VanDerWaalsContact O-CB 3.26Å; Y16-T20 WeakPolarHBondContact O-CB 3.36Å; Y16-T20 WeakPolarHBondContact O-CG2 3.39Å; Y16-T20 PolarHBondContact O-N 3.36Å; Y16-T20 PolarHBondContact O-OG1 3.11Å; Q17-T20 VanDerWaalsContact O-O 3.04Å; T20-L22 PolarHBondContact O-N 2.58Å; T20-L22 VanDerWaalsContact O-N 3.13Å; T20-L90 HydrophobicContact CG2-CB 4.41Å; T20-S94 WeakPolarHBondContact CB-OG 3.28Å
21F71.1Confident73.5Confident92 Ų9271.2 Ų71.240%0.40436%0.357SS..SBendtrans-79.715.2178.1-61.1-81.7000113.4S94 A100 I104F21-S94 PolarHBondContact N-OG 2.82Å; F21-A100 HydrophobicContact CD2-CB 4.3Å; F21-I104 HydrophobicContact CE2-CD1 3.4Å; F21-I104 HydrophobicContact CZ-CD1 3.53Å
22L73.2Confident74.6Confident8 Ų873.7 Ų73.74%0.04236%0.357CS..  trans-96.4148.7-172.5-63.5171.4000112.1Q17 T20 E26 I27 L90 L93Q17-L22 WeakPolarHBondContact CG-O 3.03Å; T20-L22 PolarHBondContact O-N 2.58Å; T20-L22 VanDerWaalsContact O-N 3.13Å; L22-E26 HydrophobicContact CB-CB 4.2Å; L22-E26 HydrophobicContact CD2-CB 4.2Å; L22-I27 HydrophobicContact CB-CD1 4.4Å; L22-I27 HydrophobicContact CB-CG1 3.92Å; L22-L90 HydrophobicContact CD1-CD2 4.2Å; L22-L93 HydrophobicContact CD1-CB 3.9Å; L22-L93 HydrophobicContact CD2-CB 4.48Å
23T80.8Confident75.2Confident72 Ų7278.1 Ų78.144%0.44237%0.368SS..  trans-76.8158.3172.363.90000111.8Q25 E26 I27T23-Q25 PolarHBondContact O-N 3.47Å; T23-Q25 VanDerWaalsContact O-N 3.07Å; T23-E26 WeakPolarHBondContact CB-OE2 3.42Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.19Å; T23-E26 PolarHBondContact N-OE2 2.84Å; T23-E26 PolarHBondContact O-N 2.84Å; T23-E26 WeakPolarHBondContact OG1-CG 2.96Å; T23-E26 PolarHBondContact OG1-N 3.43Å; T23-E26 PolarHBondContact OG1-OE2 3.34Å; T23-I27 WeakPolarHBondContact O-CG1 3.4Å; T23-I27 PolarHBondContact O-N 2.87Å
24K79.4Confident75.6Confident103 Ų10377.6 Ų77.645%0.44837%0.365SS..Hα-helixtrans-53.4-33173.5-58.7-165.3179.6-168.40112.9L13 L28L13-K24 HydrophobicContact CD2-CB 4.16Å; L13-K24 HydrophobicContact CD2-CG 4.4Å; K24-L28 WeakPolarHBondContact O-CB 2.99Å; K24-L28 WeakPolarHBondContact O-CD1 3.49Å; K24-L28 WeakPolarHBondContact O-CG 3.45Å; K24-L28 PolarHBondContact O-N 2.83Å
25Q78.4Confident76Confident162 Ų16277.5 Ų77.576%0.75736%0.363SS*.Hα-helixtrans-69.6-41.5178.3-78.1-174.1-24.900111.7T23 L28 L29T23-Q25 PolarHBondContact O-N 3.47Å; T23-Q25 VanDerWaalsContact O-N 3.07Å; Q25-L28 PolarHBondContact O-N 2.86Å; Q25-L29 WeakPolarHBondContact O-CB 3.19Å; Q25-L29 PolarHBondContact O-N 2.82Å
26E79.8Confident76.3Confident77 Ų7778.6 Ų78.636%0.3637%0.368SS..Hα-helixtrans-65.8-44175.5-71.7168.8111.400111.5L22 T23 L28 L29 A30L22-E26 HydrophobicContact CB-CB 4.2Å; L22-E26 HydrophobicContact CD2-CB 4.2Å; T23-E26 WeakPolarHBondContact CB-OE2 3.42Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.19Å; T23-E26 PolarHBondContact N-OE2 2.84Å; T23-E26 PolarHBondContact O-N 2.84Å; T23-E26 WeakPolarHBondContact OG1-CG 2.96Å; T23-E26 PolarHBondContact OG1-N 3.43Å; T23-E26 PolarHBondContact OG1-OE2 3.34Å; E26-L28 VanDerWaalsContact C-N 3.31Å; E26-L28 PolarHBondContact O-N 3.38Å; E26-L29 PolarHBondContact O-N 3.2Å; E26-L29 VanDerWaalsContact O-N 3.13Å; E26-A30 VanDerWaalsContact O-CB 3.29Å; E26-A30 WeakPolarHBondContact O-CB 3.35Å; E26-A30 PolarHBondContact O-N 3.31Å
27I80.6Confident76.3Confident0 Ų078.4 Ų78.40%037%0.369CS..Hα-helixtrans-60.6-41.9176.2-62166.6000110.7L8 L13 Q17 L22 T23 A30 H31 F86 L90L8-I27 HydrophobicContact CD2-CG2 4.28Å; L13-I27 HydrophobicContact CD2-CB 3.98Å; L13-I27 HydrophobicContact CD2-CD1 4.45Å; L13-I27 HydrophobicContact CD2-CG2 3.72Å; L13-I27 HydrophobicContact CG-CG2 4.19Å; Q17-I27 HydrophobicContact CB-CD1 3.96Å; Q17-I27 HydrophobicContact CG-CD1 4.4Å; L22-I27 HydrophobicContact CB-CD1 4.4Å; L22-I27 HydrophobicContact CB-CG1 3.92Å; T23-I27 WeakPolarHBondContact O-CG1 3.4Å; T23-I27 PolarHBondContact O-N 2.87Å; I27-A30 PolarHBondContact O-N 3.49Å; I27-H31 WeakPolarHBondContact O-CB 3.32Å; I27-H31 PolarHBondContact O-N 3.29Å; I27-F86 HydrophobicContact CG2-CZ 4.39Å; I27-L90 HydrophobicContact CB-CD2 4.31Å; I27-L90 HydrophobicContact CG1-CD2 4.21Å; I27-L90 HydrophobicContact CG2-CD1 4.16Å; I27-L90 HydrophobicContact CG2-CD2 4.06Å
28L79.2Confident76.1Confident88 Ų8875.1 Ų75.146%0.46135%0.354SS..Hα-helixtrans-66.4-38.2175.6-77.9170.7000112.8L13 K24 Q25 E26 R32L13-L28 HydrophobicContact CD1-CD2 3.8Å; L13-L28 HydrophobicContact CD1-CG 4.24Å; L13-L28 HydrophobicContact CD2-CG 4.38Å; K24-L28 WeakPolarHBondContact O-CB 2.99Å; K24-L28 WeakPolarHBondContact O-CD1 3.49Å; K24-L28 WeakPolarHBondContact O-CG 3.45Å; K24-L28 PolarHBondContact O-N 2.83Å; Q25-L28 PolarHBondContact O-N 2.86Å; E26-L28 VanDerWaalsContact C-N 3.31Å; E26-L28 PolarHBondContact O-N 3.38Å; L28-R32 WeakPolarHBondContact O-CB 3.39Å; L28-R32 PolarHBondContact O-N 2.88Å
29L79.6Confident76Confident108 Ų10872.7 Ų72.757%0.56535%0.347SS*.Hα-helixtrans-67.7-43.7176.7-167.8114.8000110.6Q25 E26 R32 R33Q25-L29 WeakPolarHBondContact O-CB 3.19Å; Q25-L29 PolarHBondContact O-N 2.82Å; E26-L29 PolarHBondContact O-N 3.2Å; E26-L29 VanDerWaalsContact O-N 3.13Å; L29-R32 WeakPolarHBondContact O-CB 3.49Å; L29-R32 PolarHBondContact O-N 3.46Å; L29-R33 WeakPolarHBondContact O-CG 3.39Å; L29-R33 PolarHBondContact O-N 3.27Å
30A77.8Confident75.5Confident2 Ų276 Ų762%0.01735%0.35CS..Hα-helixtrans-59-47.6173.900000111E26 I27 R32 R33 F34 F89 L90 L93E26-A30 VanDerWaalsContact O-CB 3.29Å; E26-A30 WeakPolarHBondContact O-CB 3.35Å; E26-A30 PolarHBondContact O-N 3.31Å; I27-A30 PolarHBondContact O-N 3.49Å; A30-R32 VanDerWaalsContact C-N 3.33Å; A30-R32 PolarHBondContact O-N 2.88Å; A30-R33 PolarHBondContact O-N 3.18Å; A30-F34 VanDerWaalsContact O-CB 3.29Å; A30-F34 WeakPolarHBondContact O-CB 3.37Å; A30-F34 PolarHBondContact O-N 2.8Å; A30-F89 HydrophobicContact CB-CD1 4.13Å; A30-F89 HydrophobicContact CB-CE1 3.97Å; A30-L90 HydrophobicContact CB-CD2 3.67Å; A30-L93 HydrophobicContact CB-CD1 3.37Å
31H78.2Confident75Confident40 Ų4081.8 Ų81.819%0.18538%0.38CS..Hα-helixtrans-60.9-40.9176.1-176.3-91.9000112.4L8 I27 T35 F86L8-H31 HydrophobicContact CD2-CB 4.15Å; I27-H31 WeakPolarHBondContact O-CB 3.32Å; I27-H31 PolarHBondContact O-N 3.29Å; H31-T35 WeakPolarHBondContact O-CB 3.32Å; H31-T35 PolarHBondContact O-N 3.32Å; H31-T35 PolarHBondContact O-OG1 2.57Å; H31-F86 VanDerWaalsContact CA-CE2 3.42Å; H31-F86 HydrophobicContact CB-CE2 3.64Å; H31-F86 HydrophobicContact CB-CZ 3.71Å; H31-F86 AromaticContact CD2-CE2 3.83Å; H31-F86 AromaticContact CD2-CZ 3.78Å
32R78.9Confident74.5Confident172 Ų17280.7 Ų80.765%0.64938%0.377SS*.Hα-helixtrans-61.8-49174-178.7-175.3-74.9-175-2.9110.6L28 L29 A30 T35 E36L28-R32 WeakPolarHBondContact O-CB 3.39Å; L28-R32 PolarHBondContact O-N 2.88Å; L29-R32 WeakPolarHBondContact O-CB 3.49Å; L29-R32 PolarHBondContact O-N 3.46Å; A30-R32 VanDerWaalsContact C-N 3.33Å; A30-R32 PolarHBondContact O-N 2.88Å; R32-T35 PolarHBondContact O-N 3.43Å; R32-E36 WeakPolarHBondContact O-CG 3.35Å; R32-E36 PolarHBondContact O-N 3.31Å
33R77.2Confident73.9Confident130 Ų13086 Ų8649%0.49140%0.396SS..Hα-helixtrans-59.9-49178.1-71.8-66.8-175.9178.41.6111.4L29 A30 T35 E36 L37L29-R33 WeakPolarHBondContact O-CG 3.39Å; L29-R33 PolarHBondContact O-N 3.27Å; A30-R33 PolarHBondContact O-N 3.18Å; R33-T35 VanDerWaalsContact C-N 3.3Å; R33-T35 PolarHBondContact O-N 2.82Å; R33-E36 CarbonylContact O-C 3.6Å; R33-E36 WeakPolarHBondContact O-CA 3.17Å; R33-E36 WeakPolarHBondContact O-CB 3.46Å; R33-E36 PolarHBondContact O-N 2.93Å; R33-L37 WeakPolarHBondContact O-CG 3.4Å; R33-L37 PolarHBondContact O-N 2.89Å
34F76.8Confident72.8Confident5 Ų589.6 Ų89.62%0.02241%0.413CS..Hα-helixtrans-55.7-45176.1-167-97.3000111.5A30 E36 L37 L38 P48 V50 F86 F89A30-F34 VanDerWaalsContact O-CB 3.29Å; A30-F34 WeakPolarHBondContact O-CB 3.37Å; A30-F34 PolarHBondContact O-N 2.8Å; F34-E36 VanDerWaalsContact C-N 3.35Å; F34-E36 PolarHBondContact O-N 3.35Å; F34-L37 PolarHBondContact O-N 2.92Å; F34-L38 HydrophobicContact CD1-CD1 3.56Å; F34-L38 HydrophobicContact CD1-CG 4.31Å; F34-L38 HydrophobicContact CE1-CD1 3.51Å; F34-L38 HydrophobicContact CE1-CD2 4.47Å; F34-L38 HydrophobicContact CE1-CG 4.21Å; F34-L38 HydrophobicContact CZ-CD1 4.44Å; F34-L38 VanDerWaalsContact O-CG 3.3Å; F34-L38 WeakPolarHBondContact O-CG 3.35Å; F34-L38 PolarHBondContact O-N 2.85Å; F34-P48 HydrophobicContact CE1-CB 4.4Å; F34-P48 HydrophobicContact CE1-CG 4.23Å; F34-P48 WeakPolarHBondContact CZ-O 3.39Å; F34-V50 HydrophobicContact CD1-CG2 4.49Å; F34-V50 HydrophobicContact CD2-CG2 3.62Å; F34-V50 HydrophobicContact CE1-CG2 4.25Å; F34-V50 HydrophobicContact CE2-CB 4.07Å; F34-V50 HydrophobicContact CE2-CG2 3.31Å; F34-V50 HydrophobicContact CG-CG2 4.2Å; F34-V50 HydrophobicContact CZ-CG2 3.65Å; F34-F86 HydrophobicContact CB-CD2 4.04Å; F34-F86 HydrophobicContact CB-CE2 4.49Å; F34-F86 HydrophobicContact CD1-CB 4.08Å; F34-F86 AromaticContact CD1-CD2 3.95Å; F34-F86 HydrophobicContact CD1-CD2 3.95Å; F34-F86 HydrophobicContact CD1-CG 4.43Å; F34-F86 HydrophobicContact CD2-CD2 4.34Å; F34-F86 HydrophobicContact CE1-CB 3.77Å; F34-F86 HydrophobicContact CE1-CD2 4.49Å; F34-F86 HydrophobicContact CE2-CB 4.38Å; F34-F86 AromaticContact CG-CD2 3.87Å; F34-F86 HydrophobicContact CG-CD2 3.87Å; F34-F86 HydrophobicContact CZ-CB 3.96Å; F34-F89 HydrophobicContact CB-CD1 4.43Å; F34-F89 HydrophobicContact CD2-CB 3.92Å; F34-F89 HydrophobicContact CD2-CD1 4.22Å; F34-F89 AromaticContact CD2-CG 3.98Å; F34-F89 HydrophobicContact CD2-CG 3.98Å; F34-F89 HydrophobicContact CE2-CB 4.16Å
35T75.7Confident71.9Confident40 Ų4090.3 Ų90.325%0.24542%0.417CS..Hα-helixtrans-63.8-38175-560000112.5H31 R32 R33 L37 R43H31-T35 WeakPolarHBondContact O-CB 3.32Å; H31-T35 PolarHBondContact O-N 3.32Å; H31-T35 PolarHBondContact O-OG1 2.57Å; R32-T35 PolarHBondContact O-N 3.43Å; R33-T35 VanDerWaalsContact C-N 3.3Å; R33-T35 PolarHBondContact O-N 2.82Å; T35-L37 VanDerWaalsContact C-N 3.33Å; T35-R43 VanDerWaalsContact O-CZ 3.24Å; T35-R43 PolarHBondContact O-NE 2.93Å; T35-R43 VanDerWaalsContact O-NE 3.1Å; T35-R43 PolarHBondContact O-NH2 2.94Å
36E77.3Confident70.9Confident119 Ų11988.7 Ų88.756%0.55642%0.421SS*.Hα-helixtrans-67.6-32.8175.9-74.8-175.7105.100112.8R32 R33 F34R32-E36 WeakPolarHBondContact O-CG 3.35Å; R32-E36 PolarHBondContact O-N 3.31Å; R33-E36 CarbonylContact O-C 3.6Å; R33-E36 WeakPolarHBondContact O-CA 3.17Å; R33-E36 WeakPolarHBondContact O-CB 3.46Å; R33-E36 PolarHBondContact O-N 2.93Å; F34-E36 VanDerWaalsContact C-N 3.35Å; F34-E36 PolarHBondContact O-N 3.35Å
37L72.6Confident70.2Confident35 Ų3589.1 Ų89.118%0.18343%0.426CS..Hα-helixtrans-77.6-26.5178.3-66.8170.8000112.8R33 F34 T35 V50 V54 I55 L58R33-L37 WeakPolarHBondContact O-CG 3.4Å; R33-L37 PolarHBondContact O-N 2.89Å; F34-L37 PolarHBondContact O-N 2.92Å; T35-L37 VanDerWaalsContact C-N 3.33Å; L37-V50 HydrophobicContact CB-CG1 4.07Å; L37-V50 HydrophobicContact CB-CG2 4.28Å; L37-V54 HydrophobicContact CB-CG1 3.56Å; L37-V54 HydrophobicContact CD1-CG1 4.44Å; L37-V54 HydrophobicContact CD2-CG1 3.44Å; L37-V54 VanDerWaalsContact CD2-CG1 3.44Å; L37-V54 HydrophobicContact CG-CG1 3.94Å; L37-I55 HydrophobicContact CD1-CD1 4.24Å; L37-L58 HydrophobicContact CD1-CD1 4.09Å; L37-L58 HydrophobicContact CD1-CD2 4.1Å; L37-L58 HydrophobicContact CD1-CG 4.28Å; L37-L58 HydrophobicContact CD2-CD2 4.25Å
38L71.8Confident69.6Low11 Ų1190.8 Ų90.86%0.05844%0.437CS..SBendtrans-77.7128.2174.9-69.6163000111.7F34 E42 R43 P48 V50F34-L38 HydrophobicContact CD1-CD1 3.56Å; F34-L38 HydrophobicContact CD1-CG 4.31Å; F34-L38 HydrophobicContact CE1-CD1 3.51Å; F34-L38 HydrophobicContact CE1-CD2 4.47Å; F34-L38 HydrophobicContact CE1-CG 4.21Å; F34-L38 HydrophobicContact CZ-CD1 4.44Å; F34-L38 VanDerWaalsContact O-CG 3.3Å; F34-L38 WeakPolarHBondContact O-CG 3.35Å; F34-L38 PolarHBondContact O-N 2.85Å; L38-E42 HydrophobicContact CB-CB 4.43Å; L38-E42 HydrophobicContact CD2-CB 3.8Å; L38-R43 HydrophobicContact CB-CG 3.97Å; L38-R43 PolarHBondContact O-NE 2.95Å; L38-P48 HydrophobicContact CD1-CB 3.68Å; L38-P48 HydrophobicContact CD1-CG 4.28Å; L38-P48 HydrophobicContact CD2-CB 3.79Å; L38-P48 HydrophobicContact CG-CB 4.41Å; L38-V50 HydrophobicContact CD2-CG2 3.7Å; L38-V50 HydrophobicContact CG-CG2 3.83Å
39D68.3Low69.4Low116 Ų11690.2 Ų90.262%0.6243%0.428SS*.  trans-67.1163.5171.4-148.1-76.3000111.3D41 E42 R43D39-D41 PolarHBondContact O-N 3.03Å; D39-E42 PolarHBondContact O-N 3.17Å; D39-R43 PolarHBondContact O-N 2.83Å
40R59.8Low69.3Low202 Ų20285 Ų8576%0.76240%0.401SS*.THydrogen-bonded Turntrans-61.6-28.5-174.4-80.6-173.5172.3-153.70.4113.1
41D59.2Low69.4Low135 Ų13587.1 Ų87.172%0.72241%0.414SS*.THydrogen-bonded Turntrans-72.6-44.5177-93.3-105.5000111.9D39 R43 N44D39-D41 PolarHBondContact O-N 3.03Å; D41-R43 VanDerWaalsContact C-N 3.29Å; D41-R43 PolarHBondContact O-N 2.98Å; D41-N44 PolarHBondContact O-N 3.28Å
42E60.9Low69.3Low70 Ų7087.5 Ų87.533%0.32742%0.417SS..G310 helixtrans-68-27.3-178.6-65.3-91.977.600112.5L38 D39 N44 H45L38-E42 HydrophobicContact CB-CB 4.43Å; L38-E42 HydrophobicContact CD2-CB 3.8Å; D39-E42 PolarHBondContact O-N 3.17Å; E42-N44 PolarHBondContact O-N 3.11Å; E42-H45 WeakPolarHBondContact O-CB 3.27Å; E42-H45 PolarHBondContact O-N 2.85Å; E42-H45 VanDerWaalsContact O-N 3.12Å
43R59.5Low69.1Low120 Ų12086.5 Ų86.545%0.45342%0.42SS..G310 helixtrans-65.4-18.2176.2-71.8-175.4-165.4175.54.5114.5T35 L38 D39 D41T35-R43 VanDerWaalsContact O-CZ 3.24Å; T35-R43 PolarHBondContact O-NE 2.93Å; T35-R43 VanDerWaalsContact O-NE 3.1Å; T35-R43 PolarHBondContact O-NH2 2.94Å; L38-R43 HydrophobicContact CB-CG 3.97Å; L38-R43 PolarHBondContact O-NE 2.95Å; D39-R43 PolarHBondContact O-N 2.83Å; D41-R43 VanDerWaalsContact C-N 3.29Å; D41-R43 PolarHBondContact O-N 2.98Å
44N57.7Low69.2Low147 Ų14782.3 Ų82.379%0.78641%0.408SS*.G310 helixtrans-92.4-6.8176.2-85.1-67.2000113D41 E42D41-N44 PolarHBondContact O-N 3.28Å; E42-N44 PolarHBondContact O-N 3.11Å
45H60.1Low69.1Low118 Ų11882 Ų8255%0.54641%0.407SS..SBendtrans-74.8142.8177.6-107.5-118.8000111E42 N47E42-H45 WeakPolarHBondContact O-CB 3.27Å; E42-H45 PolarHBondContact O-N 2.85Å; E42-H45 VanDerWaalsContact O-N 3.12Å; H45-N47 PolarHBondContact O-N 3.21Å
46P58Low68.9Low128 Ų12881.6 Ų81.683%0.83140%0.403SS*.SBendtrans-65.7-19177.826.1-33.6000112.8
47N64.5Low68.7Low86 Ų8680.3 Ų80.346%0.4640%0.403SS..SBendtrans-136.181174.5-14836.9000109.9H45 R49H45-N47 PolarHBondContact O-N 3.21Å; N47-R49 PolarHBondContact O-N 3.33Å
48P69.7Low68.5Low35 Ų3579.7 Ų79.723%0.22740%0.4CS..  trans-66.7126.4-17927.2-32.2000109.6F34 L38F34-P48 HydrophobicContact CE1-CB 4.4Å; F34-P48 HydrophobicContact CE1-CG 4.23Å; F34-P48 WeakPolarHBondContact CZ-O 3.39Å; L38-P48 HydrophobicContact CD1-CB 3.68Å; L38-P48 HydrophobicContact CD1-CG 4.28Å; L38-P48 HydrophobicContact CD2-CB 3.79Å; L38-P48 HydrophobicContact CG-CB 4.41Å
49R73.6Confident68.2Low75 Ų7583.4 Ų83.428%0.28343%0.425SS..  trans-118131.7177.2-70.9-174.7172178.5-1.3108.6N47 S77 L84 T85N47-R49 PolarHBondContact O-N 3.33Å; R49-S77 PolarHBondContact NH1-OG 2.82Å; R49-L84 CarbonylContact C-O 3.58Å; R49-L84 WeakPolarHBondContact CA-O 3.44Å; R49-T85 HydrophobicContact CG-CG2 3.85Å
50V78.6Confident68.1Low0 Ų085 Ų850%043%0.429CS..BIsolated β-bridgetrans-88.8122.1175.2-179.10000107.7F34 L37 L38 V54 I55 S83 L84F34-V50 HydrophobicContact CD1-CG2 4.49Å; F34-V50 HydrophobicContact CD2-CG2 3.62Å; F34-V50 HydrophobicContact CE1-CG2 4.25Å; F34-V50 HydrophobicContact CE2-CB 4.07Å; F34-V50 HydrophobicContact CE2-CG2 3.31Å; F34-V50 HydrophobicContact CG-CG2 4.2Å; F34-V50 HydrophobicContact CZ-CG2 3.65Å; L37-V50 HydrophobicContact CB-CG1 4.07Å; L37-V50 HydrophobicContact CB-CG2 4.28Å; L38-V50 HydrophobicContact CD2-CG2 3.7Å; L38-V50 HydrophobicContact CG-CG2 3.83Å; V50-V54 HydrophobicContact CG1-CB 3.7Å; V50-V54 HydrophobicContact CG1-CG1 3.63Å; V50-I55 HydrophobicContact CB-CD1 3.92Å; V50-I55 HydrophobicContact CB-CG1 4.18Å; V50-I55 HydrophobicContact CG1-CD1 3.57Å; V50-I55 HydrophobicContact CG1-CG1 3.71Å; V50-S83 CarbonylContact O-C 3.59Å; V50-S83 VanDerWaalsContact O-CA 3.26Å; V50-S83 WeakPolarHBondContact O-CA 3.27Å; V50-L84 PolarHBondContact N-O 3.06Å; V50-L84 PolarHBondContact O-N 2.7Å
51P78.9Confident68.3Low45 Ų4575.8 Ų75.829%0.29240%0.395SS..  trans-64.2150.9178.425.5-33.2000111E53 V54 I55P51-E53 PolarHBondContact O-N 3.27Å; P51-E53 VanDerWaalsContact O-N 3.12Å; P51-V54 HydrophobicContact CG-CB 4.35Å; P51-V54 HydrophobicContact CG-CG2 3.86Å; P51-V54 PolarHBondContact O-N 3.3Å; P51-I55 PolarHBondContact O-N 2.78Å
52M76.9Confident68.6Low48 Ų4875.9 Ų75.924%0.23639%0.388CS..Hα-helixtrans-53.4-39.4-176.162.3174.4-75.600112.4V54 I55 L56 T68 G82M52-V54 PolarHBondContact O-N 2.82Å; M52-I55 PolarHBondContact O-N 2.98Å; M52-I55 VanDerWaalsContact O-N 3.09Å; M52-L56 HydrophobicContact CE-CD1 3.62Å; M52-L56 WeakPolarHBondContact O-CB 3.31Å; M52-L56 WeakPolarHBondContact O-CG 3.4Å; M52-L56 PolarHBondContact O-N 3.21Å; M52-T68 HydrophobicContact CE-CG2 3.89Å; M52-G82 WeakPolarHBondContact CB-O 3.33Å
53E74.9Confident68.7Low152 Ų15276.9 Ų76.971%0.7140%0.403SS*.Hα-helixtrans-55-39.6-178.5-66.7-175.285.700112.3P51 T57P51-E53 PolarHBondContact O-N 3.27Å; P51-E53 VanDerWaalsContact O-N 3.12Å; E53-T57 WeakPolarHBondContact O-CG2 3.36Å; E53-T57 PolarHBondContact O-N 3.26Å
54V78.2Confident68.9Low41 Ų4171.7 Ų71.725%0.24839%0.385CS..Hα-helixtrans-74.9-40.6-179.11750000110.5L37 V50 P51 M52 L56 T57L37-V54 HydrophobicContact CB-CG1 3.56Å; L37-V54 HydrophobicContact CD1-CG1 4.44Å; L37-V54 HydrophobicContact CD2-CG1 3.44Å; L37-V54 VanDerWaalsContact CD2-CG1 3.44Å; L37-V54 HydrophobicContact CG-CG1 3.94Å; V50-V54 HydrophobicContact CG1-CB 3.7Å; V50-V54 HydrophobicContact CG1-CG1 3.63Å; P51-V54 HydrophobicContact CG-CB 4.35Å; P51-V54 HydrophobicContact CG-CG2 3.86Å; P51-V54 PolarHBondContact O-N 3.3Å; M52-V54 PolarHBondContact O-N 2.82Å; V54-L56 VanDerWaalsContact C-N 3.29Å; V54-L56 PolarHBondContact O-N 2.86Å; V54-T57 WeakPolarHBondContact O-CB 3.47Å; V54-T57 PolarHBondContact O-N 2.95Å; V54-T57 VanDerWaalsContact O-N 3.12Å; V54-T57 PolarHBondContact O-OG1 2.94Å
55I75.6Confident69.3Low0 Ų066.5 Ų66.50%036%0.359CS..Hα-helixtrans-62-39.4174.9-61.3-65.5000111.3L37 V50 P51 M52 T57 L58 L61 C71 L84 F89L37-I55 HydrophobicContact CD1-CD1 4.24Å; V50-I55 HydrophobicContact CB-CD1 3.92Å; V50-I55 HydrophobicContact CB-CG1 4.18Å; V50-I55 HydrophobicContact CG1-CD1 3.57Å; V50-I55 HydrophobicContact CG1-CG1 3.71Å; P51-I55 PolarHBondContact O-N 2.78Å; M52-I55 PolarHBondContact O-N 2.98Å; M52-I55 VanDerWaalsContact O-N 3.09Å; I55-T57 PolarHBondContact O-N 3.4Å; I55-L58 HydrophobicContact CD1-CD1 4.44Å; I55-L58 HydrophobicContact CG2-CD1 4.43Å; I55-L58 VanDerWaalsContact O-CB 3.25Å; I55-L58 WeakPolarHBondContact O-CB 3.47Å; I55-L58 WeakPolarHBondContact O-CG 3.47Å; I55-L58 PolarHBondContact O-N 2.65Å; I55-L61 HydrophobicContact CG2-CD1 3.6Å; I55-C71 WeakPolarHBondContact CG2-SG 3.46Å; I55-L84 HydrophobicContact CB-CD1 4.48Å; I55-L84 HydrophobicContact CD1-CD1 4.12Å; I55-L84 HydrophobicContact CG1-CD1 3.92Å; I55-L84 HydrophobicContact CG1-CG 4.39Å; I55-L84 HydrophobicContact CG2-CD1 3.94Å; I55-F89 HydrophobicContact CD1-CD2 3.78Å; I55-F89 HydrophobicContact CD1-CE2 3.86Å
56L71.6Confident69.8Low30 Ų3061 Ų6116%0.15733%0.334CS..THydrogen-bonded Turntrans-65.5-18.5177.2-66172.6000113.7M52 V54 L58 K67 T68M52-L56 HydrophobicContact CE-CD1 3.62Å; M52-L56 WeakPolarHBondContact O-CB 3.31Å; M52-L56 WeakPolarHBondContact O-CG 3.4Å; M52-L56 PolarHBondContact O-N 3.21Å; V54-L56 VanDerWaalsContact C-N 3.29Å; V54-L56 PolarHBondContact O-N 2.86Å; L56-L58 VanDerWaalsContact C-N 3.29Å; L56-K67 HydrophobicContact CD2-CB 3.55Å; L56-K67 HydrophobicContact CD2-CD 3.4Å; L56-K67 HydrophobicContact CD2-CG 3.21Å; L56-T68 HydrophobicContact CD1-CG2 4.23Å; L56-T68 HydrophobicContact CD2-CG2 4.24Å
57T71.8Confident70.4Confident92 Ų9257.6 Ų57.656%0.56431%0.305SS*.THydrogen-bonded Turntrans-77.1-15.6173.466.50000113.4E53 V54 I55E53-T57 WeakPolarHBondContact O-CG2 3.36Å; E53-T57 PolarHBondContact O-N 3.26Å; V54-T57 WeakPolarHBondContact O-CB 3.47Å; V54-T57 PolarHBondContact O-N 2.95Å; V54-T57 VanDerWaalsContact O-N 3.12Å; V54-T57 PolarHBondContact O-OG1 2.94Å; I55-T57 PolarHBondContact O-N 3.4Å
58L69.7Low71Confident22 Ų2256.1 Ų56.112%0.11530%0.3CS..SBendtrans-63132.1178.4-71.1171.1000110.1L37 I55 L56 E60 L61 K62 F89L37-L58 HydrophobicContact CD1-CD1 4.09Å; L37-L58 HydrophobicContact CD1-CD2 4.1Å; L37-L58 HydrophobicContact CD1-CG 4.28Å; L37-L58 HydrophobicContact CD2-CD2 4.25Å; I55-L58 HydrophobicContact CD1-CD1 4.44Å; I55-L58 HydrophobicContact CG2-CD1 4.43Å; I55-L58 VanDerWaalsContact O-CB 3.25Å; I55-L58 WeakPolarHBondContact O-CB 3.47Å; I55-L58 WeakPolarHBondContact O-CG 3.47Å; I55-L58 PolarHBondContact O-N 2.65Å; L56-L58 VanDerWaalsContact C-N 3.29Å; L58-E60 PolarHBondContact O-N 2.86Å; L58-L61 HydrophobicContact CB-CD1 4.39Å; L58-L61 HydrophobicContact CD1-CD1 4.14Å; L58-L61 PolarHBondContact O-N 3.37Å; L58-L61 VanDerWaalsContact O-N 3.08Å; L58-K62 VanDerWaalsContact O-CB 3.23Å; L58-K62 WeakPolarHBondContact O-CB 3.4Å; L58-K62 PolarHBondContact O-N 3.14Å; L58-F89 HydrophobicContact CD1-CE2 3.6Å; L58-F89 HydrophobicContact CD1-CZ 3.89Å
59P65.1Low71.3Confident90 Ų9057.1 Ų57.158%0.58430%0.299SS*.Hα-helixtrans-57.9-35.4-176.721.9-32.1000112.8L61 K62P59-L61 VanDerWaalsContact C-N 3.35Å; P59-L61 PolarHBondContact O-N 3.05Å; P59-K62 PolarHBondContact O-N 3.25Å
60E65.1Low71.5Confident149 Ų14953.9 Ų53.970%0.69629%0.287SS*.Hα-helixtrans-61.5-40.5177.9-53.2-6492.600112.1L58 N64L58-E60 PolarHBondContact O-N 2.86Å; E60-N64 PolarHBondContact O-ND2 3.42Å
61L65.6Low71.4Confident9 Ų953.9 Ų53.95%0.04729%0.287CS..Hα-helixtrans-92.9-23.7-178.8-78.2143.8000112.3I55 L58 P59 S63 N64 K67 I70 L92I55-L61 HydrophobicContact CG2-CD1 3.6Å; L58-L61 HydrophobicContact CB-CD1 4.39Å; L58-L61 HydrophobicContact CD1-CD1 4.14Å; L58-L61 PolarHBondContact O-N 3.37Å; L58-L61 VanDerWaalsContact O-N 3.08Å; P59-L61 VanDerWaalsContact C-N 3.35Å; P59-L61 PolarHBondContact O-N 3.05Å; L61-S63 VanDerWaalsContact C-N 3.27Å; L61-S63 PolarHBondContact O-N 3.45Å; L61-N64 WeakPolarHBondContact O-CB 3.22Å; L61-N64 PolarHBondContact O-N 2.79Å; L61-K67 HydrophobicContact CB-CB 4.29Å; L61-K67 HydrophobicContact CD2-CB 4.17Å; L61-K67 VanDerWaalsContact O-CB 3.29Å; L61-K67 WeakPolarHBondContact O-CB 3.43Å; L61-K67 WeakPolarHBondContact O-CD 3.37Å; L61-I70 HydrophobicContact CD2-CB 4.45Å; L61-I70 HydrophobicContact CD2-CD1 4.35Å; L61-I70 HydrophobicContact CD2-CG2 4.03Å; L61-L92 HydrophobicContact CD1-CD2 4.09Å
62K64.3Low71.3Confident136 Ų13654.8 Ų54.859%0.59129%0.288SS*.Hα-helixtrans-61.2-37-173.6-175.7176.9179.9-177.70112.6L58 P59 N64 K67L58-K62 VanDerWaalsContact O-CB 3.23Å; L58-K62 WeakPolarHBondContact O-CB 3.4Å; L58-K62 PolarHBondContact O-N 3.14Å; P59-K62 PolarHBondContact O-N 3.25Å; K62-N64 VanDerWaalsContact C-N 3.28Å; K62-K67 PolarHBondContact O-NZ 3.49Å
63S62.6Low71.4Confident92 Ų9253.3 Ų53.364%0.64328%0.281SS*.THydrogen-bonded Turntrans-79.9-7.9-180-53.80000113.6L61L61-S63 VanDerWaalsContact C-N 3.27Å; L61-S63 PolarHBondContact O-N 3.45Å
64N64.9Low71.5Confident11 Ų1146.4 Ų46.46%0.05925%0.249CC..  trans-94.3119.6-175.7-82.5-67.8000110.6E60 L61 K62 F66 K67 I187 V188E60-N64 PolarHBondContact O-ND2 3.42Å; L61-N64 WeakPolarHBondContact O-CB 3.22Å; L61-N64 PolarHBondContact O-N 2.79Å; K62-N64 VanDerWaalsContact C-N 3.28Å; N64-F66 PolarHBondContact O-N 3.44Å; N64-K67 HydrophobicContact CB-CB 4.38Å; N64-K67 VanDerWaalsContact O-CB 3.28Å; N64-K67 WeakPolarHBondContact O-CB 3.45Å; N64-K67 VanDerWaalsContact O-CD 3.24Å; N64-K67 WeakPolarHBondContact O-CD 3.38Å; N64-K67 WeakPolarHBondContact O-CG 3.21Å; N64-K67 PolarHBondContact O-N 3.03Å; N64-I187 WeakPolarHBondContact OD1-CG2 3.42Å; N64-V188 PolarHBondContact ND2-O 3.19Å; N64-V188 PolarHBondContact OD1-O 3.31Å
65P64.8Low71.5Confident38 Ų3845.1 Ų45.125%0.24724%0.242CC..THydrogen-bonded Turntrans-64.3-24.517920.3-28.7000112.8
66F70.5Confident71.2Confident3 Ų349.5 Ų49.51%0.01327%0.269CS..THydrogen-bonded Turntrans-90.45.6179.9-61.6-83.5000114.5N64 T68 R69 I70 I112 F113 L129 C132 L133 I187N64-F66 PolarHBondContact O-N 3.44Å; F66-T68 PolarHBondContact O-N 2.92Å; F66-T68 VanDerWaalsContact O-N 3.11Å; F66-R69 CarbonylContact O-C 3.58Å; F66-R69 WeakPolarHBondContact O-CA 3.06Å; F66-R69 PolarHBondContact O-N 3.16Å; F66-I70 HydrophobicContact CB-CD1 4.21Å; F66-I70 HydrophobicContact CB-CG1 4.4Å; F66-I70 WeakPolarHBondContact O-CG1 3.22Å; F66-I70 PolarHBondContact O-N 3.47Å; F66-I112 HydrophobicContact CB-CG2 4.02Å; F66-I112 HydrophobicContact CD1-CG2 4.38Å; F66-I112 HydrophobicContact CG-CG2 4.46Å; F66-F113 HydrophobicContact CE1-CE1 4.45Å; F66-L129 HydrophobicContact CE1-CG 4.47Å; F66-L129 HydrophobicContact CZ-CG 4.38Å; F66-C132 HydrophobicContact CE1-CB 3.8Å; F66-C132 HydrophobicContact CZ-CB 3.75Å; F66-L133 HydrophobicContact CE2-CD2 3.59Å; F66-L133 HydrophobicContact CE2-CG 3.88Å; F66-L133 HydrophobicContact CZ-CD2 4.08Å; F66-L133 HydrophobicContact CZ-CG 3.83Å; F66-I187 HydrophobicContact CD2-CD1 3.19Å; F66-I187 HydrophobicContact CD2-CG1 3.71Å; F66-I187 HydrophobicContact CD2-CG2 4.32Å; F66-I187 HydrophobicContact CE2-CD1 3.24Å; F66-I187 HydrophobicContact CE2-CG1 3.63Å; F66-I187 HydrophobicContact CG-CD1 4.12Å; F66-I187 HydrophobicContact CZ-CD1 4.17Å
67K72.6Confident71.1Confident55 Ų5548.4 Ų48.424%0.23926%0.263CS..Hα-helixtrans-52.5-34.8-17759.4-174.5-178.4-162.90114.8L56 L61 K62 N64 C71L56-K67 HydrophobicContact CD2-CB 3.55Å; L56-K67 HydrophobicContact CD2-CD 3.4Å; L56-K67 HydrophobicContact CD2-CG 3.21Å; L61-K67 HydrophobicContact CB-CB 4.29Å; L61-K67 HydrophobicContact CD2-CB 4.17Å; L61-K67 VanDerWaalsContact O-CB 3.29Å; L61-K67 WeakPolarHBondContact O-CB 3.43Å; L61-K67 WeakPolarHBondContact O-CD 3.37Å; K62-K67 PolarHBondContact O-NZ 3.49Å; N64-K67 HydrophobicContact CB-CB 4.38Å; N64-K67 VanDerWaalsContact O-CB 3.28Å; N64-K67 WeakPolarHBondContact O-CB 3.45Å; N64-K67 VanDerWaalsContact O-CD 3.24Å; N64-K67 WeakPolarHBondContact O-CD 3.38Å; N64-K67 WeakPolarHBondContact O-CG 3.21Å; N64-K67 PolarHBondContact O-N 3.03Å; K67-C71 PolarHBondContact O-N 2.91Å; K67-C71 PolarHBondContact O-SG 2.87Å; K67-C71 VanDerWaalsContact O-SG 3.34Å
68T75.7Confident70.4Confident56 Ų5653.3 Ų53.334%0.34428%0.28SS..Hα-helixtrans-68.1-42.7175.946.60000111.4M52 L56 F66 C71 Q72M52-T68 HydrophobicContact CE-CG2 3.89Å; L56-T68 HydrophobicContact CD1-CG2 4.23Å; L56-T68 HydrophobicContact CD2-CG2 4.24Å; F66-T68 PolarHBondContact O-N 2.92Å; F66-T68 VanDerWaalsContact O-N 3.11Å; T68-C71 PolarHBondContact O-N 3.11Å; T68-Q72 WeakPolarHBondContact O-CG 3.28Å; T68-Q72 PolarHBondContact O-N 3.39Å
69R76.1Confident70Confident56 Ų5658.6 Ų58.621%0.21131%0.308CS..Hα-helixtrans-69.3-42.7176.1-74.1-49.2-152.4169.316.6112.3F66 C71 Q72 V73 I112 F115F66-R69 CarbonylContact O-C 3.58Å; F66-R69 WeakPolarHBondContact O-CA 3.06Å; F66-R69 PolarHBondContact O-N 3.16Å; R69-C71 VanDerWaalsContact C-N 3.34Å; R69-C71 PolarHBondContact O-N 2.88Å; R69-Q72 VanDerWaalsContact CD-OE1 3.27Å; R69-Q72 PolarHBondContact O-N 2.83Å; R69-V73 WeakPolarHBondContact O-CG2 3.36Å; R69-V73 PolarHBondContact O-N 3.48Å; R69-I112 HydrophobicContact CB-CG2 3.99Å; R69-F115 HydrophobicContact CG-CE1 4.37Å; R69-F115 VanDerWaalsContact NE-CD1 3.34Å; R69-F115 VanDerWaalsContact NH2-CG 3.28Å; R69-F115 PolarHBondContact NH2-O 3.22Å
70I78.8Confident69.9Low6 Ų660.5 Ų60.53%0.03131%0.307CS..Hα-helixtrans-52.6-55.1171.9-66.7163.2000109.1L61 F66 Q72 V73 F74 L92 F96 I112L61-I70 HydrophobicContact CD2-CB 4.45Å; L61-I70 HydrophobicContact CD2-CD1 4.35Å; L61-I70 HydrophobicContact CD2-CG2 4.03Å; F66-I70 HydrophobicContact CB-CD1 4.21Å; F66-I70 HydrophobicContact CB-CG1 4.4Å; F66-I70 WeakPolarHBondContact O-CG1 3.22Å; F66-I70 PolarHBondContact O-N 3.47Å; I70-Q72 VanDerWaalsContact C-N 3.26Å; I70-Q72 PolarHBondContact O-N 3.43Å; I70-V73 PolarHBondContact O-N 3.05Å; I70-F74 HydrophobicContact CG2-CD2 3.75Å; I70-F74 HydrophobicContact CG2-CE2 3.96Å; I70-F74 VanDerWaalsContact O-CD2 3.24Å; I70-F74 WeakPolarHBondContact O-CD2 3.33Å; I70-F74 PolarHBondContact O-N 2.61Å; I70-L92 HydrophobicContact CG2-CD1 3.29Å; I70-F96 HydrophobicContact CD1-CE1 4.35Å; I70-F96 HydrophobicContact CD1-CZ 3.83Å; I70-F96 HydrophobicContact CG1-CZ 4.14Å; I70-F96 HydrophobicContact CG2-CE2 3.71Å; I70-F96 HydrophobicContact CG2-CZ 3.63Å; I70-I112 HydrophobicContact CG1-CD1 3.68Å; I70-I112 HydrophobicContact CG1-CG1 4.09Å; I70-I112 HydrophobicContact CG1-CG2 4.2Å
71C75.8Confident70Confident1 Ų158 Ų581%0.00730%0.299CS..Hα-helixtrans-57.8-37.2177.3-71.50000113.1I55 K67 T68 R69 S75 L84I55-C71 WeakPolarHBondContact CG2-SG 3.46Å; K67-C71 PolarHBondContact O-N 2.91Å; K67-C71 PolarHBondContact O-SG 2.87Å; K67-C71 VanDerWaalsContact O-SG 3.34Å; T68-C71 PolarHBondContact O-N 3.11Å; R69-C71 VanDerWaalsContact C-N 3.34Å; R69-C71 PolarHBondContact O-N 2.88Å; C71-S75 WeakPolarHBondContact O-CA 3.39Å; C71-S75 WeakPolarHBondContact O-CB 3.4Å; C71-S75 PolarHBondContact O-N 3.23Å; C71-L84 WeakPolarHBondContact O-CD2 3.47Å
72Q77.6Confident70.1Confident64 Ų6457.6 Ų57.630%0.29930%0.297SS..Hα-helixtrans-70-38.9178.5-75.9174.4-16.400113.3T68 R69 I70 S75T68-Q72 WeakPolarHBondContact O-CG 3.28Å; T68-Q72 PolarHBondContact O-N 3.39Å; R69-Q72 VanDerWaalsContact CD-OE1 3.27Å; R69-Q72 PolarHBondContact O-N 2.83Å; I70-Q72 VanDerWaalsContact C-N 3.26Å; I70-Q72 PolarHBondContact O-N 3.43Å; Q72-S75 PolarHBondContact O-N 2.93Å
73V78.8Confident70.7Confident16 Ų1651.8 Ų51.810%0.09727%0.273CS..Hα-helixtrans-69.5-40.8179.1168.90000111.6R69 I70 Y108 R111 I112R69-V73 WeakPolarHBondContact O-CG2 3.36Å; R69-V73 PolarHBondContact O-N 3.48Å; I70-V73 PolarHBondContact O-N 3.05Å; V73-Y108 HydrophobicContact CG1-CD1 4.44Å; V73-R111 HydrophobicContact CG1-CB 3.96Å; V73-R111 HydrophobicContact CG1-CG 3.66Å; V73-R111 HydrophobicContact CG2-CG 4.16Å; V73-R111 WeakPolarHBondContact CG2-O 3.24Å; V73-I112 HydrophobicContact CB-CG1 4.31Å; V73-I112 HydrophobicContact CG1-CG1 4.44Å; V73-I112 HydrophobicContact CG2-CG1 4.08Å
74F77.1Confident71.4Confident7 Ų747.4 Ų47.43%0.03124%0.243CC..Hα-helixtrans-80.6-19.8177.3-75.3-84000112.4I70 T76 L84 D88 D91 L92 A95 F96 Y108I70-F74 HydrophobicContact CG2-CD2 3.75Å; I70-F74 HydrophobicContact CG2-CE2 3.96Å; I70-F74 VanDerWaalsContact O-CD2 3.24Å; I70-F74 WeakPolarHBondContact O-CD2 3.33Å; I70-F74 PolarHBondContact O-N 2.61Å; F74-T76 PolarHBondContact O-N 2.88Å; F74-L84 HydrophobicContact CB-CD2 4.01Å; F74-D88 VanDerWaalsContact O-CB 3.25Å; F74-D88 WeakPolarHBondContact O-CB 3.45Å; F74-D91 HydrophobicContact CD1-CB 4.24Å; F74-D91 HydrophobicContact CE1-CB 4.47Å; F74-D91 WeakPolarHBondContact CE1-OD1 3.13Å; F74-L92 HydrophobicContact CB-CB 4.49Å; F74-L92 HydrophobicContact CB-CD1 4.23Å; F74-L92 HydrophobicContact CD1-CB 3.98Å; F74-L92 HydrophobicContact CD2-CB 4.48Å; F74-L92 HydrophobicContact CD2-CD1 3.69Å; F74-L92 VanDerWaalsContact CE1-CA 3.49Å; F74-L92 HydrophobicContact CE1-CB 4.32Å; F74-L92 HydrophobicContact CE2-CD1 4.2Å; F74-L92 HydrophobicContact CG-CB 4.06Å; F74-L92 HydrophobicContact CG-CD1 3.92Å; F74-A95 HydrophobicContact CE1-CB 3.84Å; F74-A95 HydrophobicContact CZ-CB 3.53Å; F74-F96 HydrophobicContact CE2-CE2 4.11Å; F74-F96 HydrophobicContact CZ-CE2 4.46Å; F74-Y108 HydrophobicContact CD1-CD1 4.48Å; F74-Y108 HydrophobicContact CD1-CE1 4.04Å; F74-Y108 AromaticContact CE1-CD1 3.61Å; F74-Y108 HydrophobicContact CE1-CD1 3.61Å; F74-Y108 AromaticContact CE1-CE1 3.29Å; F74-Y108 HydrophobicContact CE1-CE1 3.29Å; F74-Y108 HydrophobicContact CE1-CG 4.35Å; F74-Y108 AromaticContact CE1-CZ 3.84Å; F74-Y108 AromaticContact CE2-CD1 3.95Å; F74-Y108 HydrophobicContact CE2-CD1 3.95Å; F74-Y108 HydrophobicContact CE2-CE1 4.44Å; F74-Y108 AromaticContact CZ-CD1 3.28Å; F74-Y108 HydrophobicContact CZ-CD1 3.28Å; F74-Y108 HydrophobicContact CZ-CD2 4.42Å; F74-Y108 AromaticContact CZ-CE1 3.54Å; F74-Y108 HydrophobicContact CZ-CE1 3.54Å; F74-Y108 AromaticContact CZ-CG 3.78Å; F74-Y108 HydrophobicContact CZ-CG 3.78Å
75S77.5Confident72.3Confident14 Ų1447.1 Ų47.110%0.09824%0.241CC..  trans-72.3116.8177.9-178.30000110.7C71 Q72 S77 S83C71-S75 WeakPolarHBondContact O-CA 3.39Å; C71-S75 WeakPolarHBondContact O-CB 3.4Å; C71-S75 PolarHBondContact O-N 3.23Å; Q72-S75 PolarHBondContact O-N 2.93Å; S75-S77 PolarHBondContact O-N 3.21Å; S75-S77 VanDerWaalsContact OG-CB 3.28Å; S75-S77 WeakPolarHBondContact OG-CB 3.36Å; S75-S77 PolarHBondContact OG-N 3.34Å; S75-S77 PolarHBondContact OG-OG 3.26Å; S75-S83 WeakPolarHBondContact CB-O 3.15Å; S75-S83 PolarHBondContact OG-O 2.77Å
76T70.3Confident72.9Confident93 Ų9346.4 Ų46.457%0.57123%0.234SC*.  trans-81.615.5169.864.60000112.4F74 D88F74-T76 PolarHBondContact O-N 2.88Å; T76-D88 WeakPolarHBondContact CG2-OD1 3.48Å; T76-D88 PolarHBondContact OG1-OD1 2.89Å; T76-D88 PolarHBondContact OG1-OD2 3.27Å
77S68.1Low73.4Confident6 Ų651.5 Ų51.54%0.04226%0.258CS..  trans-79.2123.6-179.8-66.30000110.5R49 S75 D79 K80 S83R49-S77 PolarHBondContact NH1-OG 2.82Å; S75-S77 PolarHBondContact O-N 3.21Å; S75-S77 VanDerWaalsContact OG-CB 3.28Å; S75-S77 WeakPolarHBondContact OG-CB 3.36Å; S75-S77 PolarHBondContact OG-N 3.34Å; S75-S77 PolarHBondContact OG-OG 3.26Å; S77-D79 PolarHBondContact O-N 2.59Å; S77-D79 VanDerWaalsContact O-N 3.15Å; S77-K80 PolarHBondContact O-N 2.91Å; S77-S83 PolarHBondContact OG-O 2.75Å; S77-S83 VanDerWaalsContact OG-O 3.07Å; S77-S83 PolarHBondContact OG-OG 3.37Å
78E57.8Low73.7Confident195 Ų19549.4 Ų49.491%0.91125%0.25SC*.THydrogen-bonded Turntrans-56.6-29.4176-70.1179.989.900112.6K80E78-K80 PolarHBondContact O-N 3.41Å
79D61Low73.8Confident134 Ų13447 Ų4772%0.71723%0.234SC*.THydrogen-bonded Turntrans-73.5-6.5179.4-58.9-85.9000114.4S77 D81S77-D79 PolarHBondContact O-N 2.59Å; S77-D79 VanDerWaalsContact O-N 3.15Å; D79-D81 HydrophobicContact CB-CB 4.22Å; D79-D81 PolarHBondContact O-N 2.85Å
80K63.9Low74Confident129 Ų12944.4 Ų44.456%0.56123%0.225SC*.  trans46.425.3-170.9-66.9-162.6178.8-161.40113.7S77 E78 G82 D117S77-K80 PolarHBondContact O-N 2.91Å; E78-K80 PolarHBondContact O-N 3.41Å; K80-G82 PolarHBondContact O-N 3.38Å; K80-G82 VanDerWaalsContact O-N 3.11Å; K80-D117 IonicContact NZ-OD2 3.1Å; K80-D117 PolarHBondContact NZ-OD2 3.07Å; K80-D117 VanDerWaalsContact NZ-OD2 3.1Å
81D66.1Low73.9Confident97 Ų9746.8 Ų46.852%0.51924%0.238SC..SBendtrans-70.2-5.5179-166.8-111000112.1D79 S83D79-D81 HydrophobicContact CB-CB 4.22Å; D79-D81 PolarHBondContact O-N 2.85Å; D81-S83 PolarHBondContact O-N 3.15Å
82G67.6Low74Confident0 Ų046.9 Ų46.90%024%0.238CC..  trans72.815.9-18000000113.1M52 K80M52-G82 WeakPolarHBondContact CB-O 3.33Å; K80-G82 PolarHBondContact O-N 3.38Å; K80-G82 VanDerWaalsContact O-N 3.11Å
83S76.7Confident73.9Confident14 Ų1446.5 Ų46.510%0.09824%0.238CC..PPolyproline II helixtrans-76127.817459.90000110.5V50 S75 S77 D81V50-S83 CarbonylContact O-C 3.59Å; V50-S83 VanDerWaalsContact O-CA 3.26Å; V50-S83 WeakPolarHBondContact O-CA 3.27Å; S75-S83 WeakPolarHBondContact CB-O 3.15Å; S75-S83 PolarHBondContact OG-O 2.77Å; S77-S83 PolarHBondContact OG-O 2.75Å; S77-S83 VanDerWaalsContact OG-O 3.07Å; S77-S83 PolarHBondContact OG-OG 3.37Å; D81-S83 PolarHBondContact O-N 3.15Å
84L78.8Confident73.8Confident0 Ų046.1 Ų46.10%024%0.236CC..BIsolated β-bridgetrans-103.9131.4-175.3-63.6-179.4000110.1R49 V50 I55 C71 F74 D88R49-L84 CarbonylContact C-O 3.58Å; R49-L84 WeakPolarHBondContact CA-O 3.44Å; V50-L84 PolarHBondContact N-O 3.06Å; V50-L84 PolarHBondContact O-N 2.7Å; I55-L84 HydrophobicContact CB-CD1 4.48Å; I55-L84 HydrophobicContact CD1-CD1 4.12Å; I55-L84 HydrophobicContact CG1-CD1 3.92Å; I55-L84 HydrophobicContact CG1-CG 4.39Å; I55-L84 HydrophobicContact CG2-CD1 3.94Å; C71-L84 WeakPolarHBondContact O-CD2 3.47Å; F74-L84 HydrophobicContact CB-CD2 4.01Å; L84-D88 HydrophobicContact CB-CB 4.08Å; L84-D88 HydrophobicContact CD2-CB 3.78Å; L84-D88 HydrophobicContact CG-CB 4.49Å
85T82.3Confident73.5Confident6 Ų646.2 Ų46.24%0.03724%0.238CC..PPolyproline II helixtrans-75.6171.8165.963.70000110.6R49 E87 D88 F89R49-T85 HydrophobicContact CG-CG2 3.85Å; T85-E87 PolarHBondContact O-N 3.14Å; T85-D88 WeakPolarHBondContact CB-OD2 3.48Å; T85-D88 PolarHBondContact N-OD2 3.2Å; T85-D88 PolarHBondContact O-N 3.25Å; T85-D88 PolarHBondContact OG1-N 2.94Å; T85-D88 PolarHBondContact OG1-OD1 3.21Å; T85-D88 PolarHBondContact OG1-OD2 3.17Å; T85-F89 WeakPolarHBondContact O-CB 3.3Å; T85-F89 PolarHBondContact O-N 3.05Å
86F78.8Confident73.2Confident22 Ų2248.6 Ų48.610%0.09625%0.247CC..Hα-helixtrans-61-36.6175.2178.9-114.3000111.7L8 Y16 I27 H31 F34 F89 L90L8-F86 HydrophobicContact CD1-CD1 4.3Å; L8-F86 HydrophobicContact CD1-CE1 3.74Å; L8-F86 HydrophobicContact CD1-CZ 4.37Å; L8-F86 HydrophobicContact CD2-CE1 4.03Å; L8-F86 HydrophobicContact CD2-CZ 4Å; Y16-F86 HydrophobicContact CD2-CE1 4.16Å; Y16-F86 HydrophobicContact CE2-CD1 4.21Å; Y16-F86 AromaticContact CE2-CE1 3.79Å; Y16-F86 HydrophobicContact CE2-CE1 3.79Å; I27-F86 HydrophobicContact CG2-CZ 4.39Å; H31-F86 VanDerWaalsContact CA-CE2 3.42Å; H31-F86 HydrophobicContact CB-CE2 3.64Å; H31-F86 HydrophobicContact CB-CZ 3.71Å; H31-F86 AromaticContact CD2-CE2 3.83Å; H31-F86 AromaticContact CD2-CZ 3.78Å; F34-F86 HydrophobicContact CB-CD2 4.04Å; F34-F86 HydrophobicContact CB-CE2 4.49Å; F34-F86 HydrophobicContact CD1-CB 4.08Å; F34-F86 AromaticContact CD1-CD2 3.95Å; F34-F86 HydrophobicContact CD1-CD2 3.95Å; F34-F86 HydrophobicContact CD1-CG 4.43Å; F34-F86 HydrophobicContact CD2-CD2 4.34Å; F34-F86 HydrophobicContact CE1-CB 3.77Å; F34-F86 HydrophobicContact CE1-CD2 4.49Å; F34-F86 HydrophobicContact CE2-CB 4.38Å; F34-F86 AromaticContact CG-CD2 3.87Å; F34-F86 HydrophobicContact CG-CD2 3.87Å; F34-F86 HydrophobicContact CZ-CB 3.96Å; F86-F89 PolarHBondContact O-N 2.84Å; F86-L90 HydrophobicContact CD1-CD1 4.09Å; F86-L90 HydrophobicContact CE1-CD1 3.44Å; F86-L90 VanDerWaalsContact CE1-CD1 3.44Å; F86-L90 HydrophobicContact CE1-CG 4.1Å; F86-L90 HydrophobicContact CE2-CD1 4.27Å; F86-L90 HydrophobicContact CE2-CD2 4.2Å; F86-L90 HydrophobicContact CE2-CG 4.04Å; F86-L90 HydrophobicContact CZ-CD1 3.55Å; F86-L90 HydrophobicContact CZ-CD2 3.99Å; F86-L90 HydrophobicContact CZ-CG 3.81Å; F86-L90 WeakPolarHBondContact O-CG 3.04Å; F86-L90 PolarHBondContact O-N 3.37Å
87E79.3Confident73.1Confident111 Ų11144.9 Ų44.952%0.51922%0.224SC..Hα-helixtrans-64.5-47.7177-56.4-17584.400110.5Y16 T85 F89 L90 D91Y16-E87 HydrophobicContact CE1-CG 3.93Å; T85-E87 PolarHBondContact O-N 3.14Å; E87-F89 VanDerWaalsContact C-N 3.27Å; E87-F89 PolarHBondContact O-N 3.32Å; E87-L90 WeakPolarHBondContact O-CB 3.32Å; E87-L90 PolarHBondContact O-N 2.75Å; E87-L90 VanDerWaalsContact O-N 3.11Å; E87-D91 PolarHBondContact O-N 2.99Å
88D80.2Confident72.9Confident10 Ų1052 Ų525%0.05326%0.262CS..Hα-helixtrans-61-37.6176.5-55.5-34.8000112.1F74 T76 L84 T85 L90 D91 L92F74-D88 VanDerWaalsContact O-CB 3.25Å; F74-D88 WeakPolarHBondContact O-CB 3.45Å; T76-D88 WeakPolarHBondContact CG2-OD1 3.48Å; T76-D88 PolarHBondContact OG1-OD1 2.89Å; T76-D88 PolarHBondContact OG1-OD2 3.27Å; L84-D88 HydrophobicContact CB-CB 4.08Å; L84-D88 HydrophobicContact CD2-CB 3.78Å; L84-D88 HydrophobicContact CG-CB 4.49Å; T85-D88 WeakPolarHBondContact CB-OD2 3.48Å; T85-D88 PolarHBondContact N-OD2 3.2Å; T85-D88 PolarHBondContact O-N 3.25Å; T85-D88 PolarHBondContact OG1-N 2.94Å; T85-D88 PolarHBondContact OG1-OD1 3.21Å; T85-D88 PolarHBondContact OG1-OD2 3.17Å; D88-L90 VanDerWaalsContact C-N 3.34Å; D88-D91 PolarHBondContact O-N 3.38Å; D88-L92 WeakPolarHBondContact O-CB 3.45Å; D88-L92 PolarHBondContact O-N 2.84Å
89F78Confident73.3Confident6 Ų646.3 Ų46.33%0.02624%0.244CC..Hα-helixtrans-67.7-35.8177.5-169.5-104.6000112.1A30 F34 I55 L58 T85 F86 E87 L92 L93A30-F89 HydrophobicContact CB-CD1 4.13Å; A30-F89 HydrophobicContact CB-CE1 3.97Å; F34-F89 HydrophobicContact CB-CD1 4.43Å; F34-F89 HydrophobicContact CD2-CB 3.92Å; F34-F89 HydrophobicContact CD2-CD1 4.22Å; F34-F89 AromaticContact CD2-CG 3.98Å; F34-F89 HydrophobicContact CD2-CG 3.98Å; F34-F89 HydrophobicContact CE2-CB 4.16Å; I55-F89 HydrophobicContact CD1-CD2 3.78Å; I55-F89 HydrophobicContact CD1-CE2 3.86Å; L58-F89 HydrophobicContact CD1-CE2 3.6Å; L58-F89 HydrophobicContact CD1-CZ 3.89Å; T85-F89 WeakPolarHBondContact O-CB 3.3Å; T85-F89 PolarHBondContact O-N 3.05Å; F86-F89 PolarHBondContact O-N 2.84Å; E87-F89 VanDerWaalsContact C-N 3.27Å; E87-F89 PolarHBondContact O-N 3.32Å; F89-L92 HydrophobicContact CD2-CD2 4.34Å; F89-L92 HydrophobicContact CE2-CD2 4.42Å; F89-L93 HydrophobicContact CD1-CD1 3.88Å; F89-L93 HydrophobicContact CE1-CD1 3.52Å; F89-L93 HydrophobicContact CE1-CG 4.32Å; F89-L93 HydrophobicContact CZ-CD1 4.11Å; F89-L93 VanDerWaalsContact O-CG 3.3Å; F89-L93 WeakPolarHBondContact O-CG 3.28Å; F89-L93 PolarHBondContact O-N 3.29Å; F89-L93 VanDerWaalsContact O-N 3.08Å
90L79.1Confident73.6Confident1 Ų140.3 Ų40.31%0.00521%0.213CC..Hα-helixtrans-71.3-41.3172.7-72.3179.9000111.7Y16 T20 L22 I27 A30 F86 E87 D88 L92 L93 S94Y16-L90 HydrophobicContact CD1-CD1 3.58Å; Y16-L90 HydrophobicContact CD2-CD1 3.98Å; Y16-L90 HydrophobicContact CE1-CD1 4.06Å; Y16-L90 HydrophobicContact CE2-CD1 4.44Å; Y16-L90 HydrophobicContact CG-CD1 3.57Å; T20-L90 HydrophobicContact CG2-CB 4.41Å; L22-L90 HydrophobicContact CD1-CD2 4.2Å; I27-L90 HydrophobicContact CB-CD2 4.31Å; I27-L90 HydrophobicContact CG1-CD2 4.21Å; I27-L90 HydrophobicContact CG2-CD1 4.16Å; I27-L90 HydrophobicContact CG2-CD2 4.06Å; A30-L90 HydrophobicContact CB-CD2 3.67Å; F86-L90 HydrophobicContact CD1-CD1 4.09Å; F86-L90 HydrophobicContact CE1-CD1 3.44Å; F86-L90 VanDerWaalsContact CE1-CD1 3.44Å; F86-L90 HydrophobicContact CE1-CG 4.1Å; F86-L90 HydrophobicContact CE2-CD1 4.27Å; F86-L90 HydrophobicContact CE2-CD2 4.2Å; F86-L90 HydrophobicContact CE2-CG 4.04Å; F86-L90 HydrophobicContact CZ-CD1 3.55Å; F86-L90 HydrophobicContact CZ-CD2 3.99Å; F86-L90 HydrophobicContact CZ-CG 3.81Å; F86-L90 WeakPolarHBondContact O-CG 3.04Å; F86-L90 PolarHBondContact O-N 3.37Å; E87-L90 WeakPolarHBondContact O-CB 3.32Å; E87-L90 PolarHBondContact O-N 2.75Å; E87-L90 VanDerWaalsContact O-N 3.11Å; D88-L90 VanDerWaalsContact C-N 3.34Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L93 PolarHBondContact O-N 3.07Å; L90-S94 WeakPolarHBondContact O-CB 2.76Å; L90-S94 PolarHBondContact O-N 3.23Å
91D77.6Confident74Confident57 Ų5737.3 Ų37.331%0.30521%0.205SC..Hα-helixtrans-62.9-42.7178.2-159.8-101.9000110.9F74 E87 D88 S94 A95 Y108F74-D91 HydrophobicContact CD1-CB 4.24Å; F74-D91 HydrophobicContact CE1-CB 4.47Å; F74-D91 WeakPolarHBondContact CE1-OD1 3.13Å; E87-D91 PolarHBondContact O-N 2.99Å; D88-D91 PolarHBondContact O-N 3.38Å; D91-S94 WeakPolarHBondContact O-CB 3.23Å; D91-S94 PolarHBondContact O-N 3.13Å; D91-A95 WeakPolarHBondContact O-CB 3.36Å; D91-A95 PolarHBondContact O-N 3.35Å; D91-Y108 PolarHBondContact OD1-OH 3.44Å
92L77.7Confident74.1Confident3 Ų337.7 Ų37.72%0.01621%0.207CC..Hα-helixtrans-52.4-64.6168.7-179.7112.3000110L61 I70 F74 D88 F89 L90 S94 A95 F96L61-L92 HydrophobicContact CD1-CD2 4.09Å; I70-L92 HydrophobicContact CG2-CD1 3.29Å; F74-L92 HydrophobicContact CB-CB 4.49Å; F74-L92 HydrophobicContact CB-CD1 4.23Å; F74-L92 HydrophobicContact CD1-CB 3.98Å; F74-L92 HydrophobicContact CD2-CB 4.48Å; F74-L92 HydrophobicContact CD2-CD1 3.69Å; F74-L92 VanDerWaalsContact CE1-CA 3.49Å; F74-L92 HydrophobicContact CE1-CB 4.32Å; F74-L92 HydrophobicContact CE2-CD1 4.2Å; F74-L92 HydrophobicContact CG-CB 4.06Å; F74-L92 HydrophobicContact CG-CD1 3.92Å; D88-L92 WeakPolarHBondContact O-CB 3.45Å; D88-L92 PolarHBondContact O-N 2.84Å; F89-L92 HydrophobicContact CD2-CD2 4.34Å; F89-L92 HydrophobicContact CE2-CD2 4.42Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L92-S94 PolarHBondContact O-N 3.18Å; L92-S94 VanDerWaalsContact O-N 3.14Å; L92-A95 PolarHBondContact O-N 2.92Å; L92-F96 HydrophobicContact CD1-CD2 4.36Å; L92-F96 HydrophobicContact CD1-CE2 3.71Å; L92-F96 HydrophobicContact CD2-CD2 4.42Å; L92-F96 HydrophobicContact CG-CD2 3.76Å; L92-F96 HydrophobicContact CG-CE2 3.63Å; L92-F96 WeakPolarHBondContact O-CD2 3.4Å; L92-F96 PolarHBondContact O-N 2.86Å
93L75.8Confident74.3Confident56 Ų5644.1 Ų44.129%0.29324%0.237SC..Hα-helixtrans-57.2-34.1-178.6-71.4174.2000113.1L22 A30 F89 L90 F96 S97L22-L93 HydrophobicContact CD1-CB 3.9Å; L22-L93 HydrophobicContact CD2-CB 4.48Å; A30-L93 HydrophobicContact CB-CD1 3.37Å; F89-L93 HydrophobicContact CD1-CD1 3.88Å; F89-L93 HydrophobicContact CE1-CD1 3.52Å; F89-L93 HydrophobicContact CE1-CG 4.32Å; F89-L93 HydrophobicContact CZ-CD1 4.11Å; F89-L93 VanDerWaalsContact O-CG 3.3Å; F89-L93 WeakPolarHBondContact O-CG 3.28Å; F89-L93 PolarHBondContact O-N 3.29Å; F89-L93 VanDerWaalsContact O-N 3.08Å; L90-L93 PolarHBondContact O-N 3.07Å; L93-F96 PolarHBondContact O-N 2.82Å; L93-S97 WeakPolarHBondContact O-CB 3.09Å; L93-S97 PolarHBondContact O-N 3.46Å
94S76.1Confident74.2Confident7 Ų745.9 Ų45.95%0.04925%0.245CC..Hα-helixtrans-65.7-47.1176.5-177.30000111.1T20 F21 L90 D91 L92 F96 S97 A100T20-S94 WeakPolarHBondContact CB-OG 3.28Å; F21-S94 PolarHBondContact N-OG 2.82Å; L90-S94 WeakPolarHBondContact O-CB 2.76Å; L90-S94 PolarHBondContact O-N 3.23Å; D91-S94 WeakPolarHBondContact O-CB 3.23Å; D91-S94 PolarHBondContact O-N 3.13Å; L92-S94 PolarHBondContact O-N 3.18Å; L92-S94 VanDerWaalsContact O-N 3.14Å; S94-F96 VanDerWaalsContact C-N 3.3Å; S94-F96 PolarHBondContact O-N 3.37Å; S94-S97 VanDerWaalsContact O-CB 3.29Å; S94-S97 WeakPolarHBondContact O-CB 2.79Å; S94-S97 PolarHBondContact O-N 2.9Å; S94-S97 VanDerWaalsContact O-N 3.13Å; S94-A100 WeakPolarHBondContact O-CB 3.22Å
95A71.4Confident74Confident9 Ų948.7 Ų48.77%0.07426%0.257CS..Hα-helixtrans-64.6-34.4176.200000112.4F74 D91 L92 S97 Y108F74-A95 HydrophobicContact CE1-CB 3.84Å; F74-A95 HydrophobicContact CZ-CB 3.53Å; D91-A95 WeakPolarHBondContact O-CB 3.36Å; D91-A95 PolarHBondContact O-N 3.35Å; L92-A95 PolarHBondContact O-N 2.92Å; A95-S97 VanDerWaalsContact C-N 3.33Å; A95-Y108 HydrophobicContact CB-CD2 3.79Å; A95-Y108 HydrophobicContact CB-CE2 3.92Å; A95-Y108 HydrophobicContact CB-CG 4.25Å
96F69.8Low73.6Confident65 Ų6548.7 Ų48.729%0.28526%0.257SS..Hα-helixtrans-78.8-12.7174.5-70.9-76.3000113.5I70 F74 L92 L93 S94 L189I70-F96 HydrophobicContact CD1-CE1 4.35Å; I70-F96 HydrophobicContact CD1-CZ 3.83Å; I70-F96 HydrophobicContact CG1-CZ 4.14Å; I70-F96 HydrophobicContact CG2-CE2 3.71Å; I70-F96 HydrophobicContact CG2-CZ 3.63Å; F74-F96 HydrophobicContact CE2-CE2 4.11Å; F74-F96 HydrophobicContact CZ-CE2 4.46Å; L92-F96 HydrophobicContact CD1-CD2 4.36Å; L92-F96 HydrophobicContact CD1-CE2 3.71Å; L92-F96 HydrophobicContact CD2-CD2 4.42Å; L92-F96 HydrophobicContact CG-CD2 3.76Å; L92-F96 HydrophobicContact CG-CE2 3.63Å; L92-F96 WeakPolarHBondContact O-CD2 3.4Å; L92-F96 PolarHBondContact O-N 2.86Å; L93-F96 PolarHBondContact O-N 2.82Å; S94-F96 VanDerWaalsContact C-N 3.3Å; S94-F96 PolarHBondContact O-N 3.37Å; F96-L189 HydrophobicContact CD1-CD2 3.44Å; F96-L189 VanDerWaalsContact CD1-CD2 3.44Å; F96-L189 HydrophobicContact CD1-CG 3.88Å; F96-L189 HydrophobicContact CE1-CD2 3.91Å; F96-L189 HydrophobicContact CE1-CG 4.08Å
97S68.6Low73.5Confident15 Ų1551.7 Ų51.711%0.10527%0.271CS..SBendtrans-67.7148.5-179.6-168.70000111.9L93 S94 A95 S99 A100 K105L93-S97 WeakPolarHBondContact O-CB 3.09Å; L93-S97 PolarHBondContact O-N 3.46Å; S94-S97 VanDerWaalsContact O-CB 3.29Å; S94-S97 WeakPolarHBondContact O-CB 2.79Å; S94-S97 PolarHBondContact O-N 2.9Å; S94-S97 VanDerWaalsContact O-N 3.13Å; A95-S97 VanDerWaalsContact C-N 3.33Å; S97-S99 PolarHBondContact O-N 2.93Å; S97-A100 PolarHBondContact O-N 2.65Å; S97-K105 WeakPolarHBondContact O-CE 3.24Å; S97-K105 PolarHBondContact O-NZ 3.08Å
98D64.8Low73.4Confident155 Ų15548.6 Ų48.683%0.82926%0.255SS*.THydrogen-bonded Turntrans-62.6-25.7174.6-149.3-105.1000111.6A100D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 PolarHBondContact O-N 3.31Å
99S65.6Low73.2Confident76 Ų7649.3 Ų49.353%0.53126%0.262SS..THydrogen-bonded Turntrans-70.6-16.5177.7-58.70000114.4S97S97-S99 PolarHBondContact O-N 2.93Å
100A67Low73.2Confident8 Ų849.3 Ų49.37%0.06626%0.262CS..SBendtrans-73.7136178.500000111.5F21 S94 S97 D98 K105F21-A100 HydrophobicContact CD2-CB 4.3Å; S94-A100 WeakPolarHBondContact O-CB 3.22Å; S97-A100 PolarHBondContact O-N 2.65Å; D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 PolarHBondContact O-N 3.31Å; A100-K105 HydrophobicContact CB-CG 4.28Å; A100-K105 WeakPolarHBondContact O-CE 3.35Å
101T71.8Confident73.3Confident65 Ų6554.3 Ų54.340%0.39928%0.281SS..  trans-65.9153.5179.961.30000111.4E103 I104 K105T101-E103 PolarHBondContact O-N 3.27Å; T101-I104 PolarHBondContact O-N 3.45Å; T101-I104 VanDerWaalsContact O-N 3.14Å; T101-I104 WeakPolarHBondContact OG1-CG1 3.4Å; T101-K105 PolarHBondContact O-N 2.84Å
102L69.4Low73.3Confident105 Ų10552.3 Ų52.355%0.5527%0.27SS..Hα-helixtrans-56.3-37.5176.7-174.366.1000111.5I104 K105 S106 I175L102-I104 PolarHBondContact O-N 2.82Å; L102-K105 PolarHBondContact O-N 3.13Å; L102-S106 WeakPolarHBondContact O-CB 3.23Å; L102-S106 PolarHBondContact O-N 2.84Å; L102-S106 PolarHBondContact O-OG 3.44Å; L102-I175 HydrophobicContact CD1-CG2 4.45Å
103E72.1Confident73.2Confident135 Ų13552.6 Ų52.663%0.63127%0.271SS*.Hα-helixtrans-59.2-44.9177.4-7117787.500112.6T101 S106 H107T101-E103 PolarHBondContact O-N 3.27Å; E103-S106 PolarHBondContact O-N 3.31Å; E103-H107 WeakPolarHBondContact O-CB 3.22Å; E103-H107 PolarHBondContact O-N 3.1Å
104I73.9Confident73.5Confident52 Ų5250.3 Ų50.327%0.26726%0.259SS..Hα-helixtrans-67.1-45.6178.6-67.2175.8000109.8F21 T101 L102 S106 H107 Y108F21-I104 HydrophobicContact CE2-CD1 3.4Å; F21-I104 HydrophobicContact CZ-CD1 3.53Å; T101-I104 PolarHBondContact O-N 3.45Å; T101-I104 VanDerWaalsContact O-N 3.14Å; T101-I104 WeakPolarHBondContact OG1-CG1 3.4Å; L102-I104 PolarHBondContact O-N 2.82Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 2.84Å; I104-H107 PolarHBondContact O-N 3.43Å; I104-H107 VanDerWaalsContact O-N 3.16Å; I104-Y108 HydrophobicContact CG2-CD2 3.59Å; I104-Y108 HydrophobicContact CG2-CE2 3.46Å; I104-Y108 VanDerWaalsContact CG2-CE2 3.46Å; I104-Y108 VanDerWaalsContact O-CD2 3.23Å; I104-Y108 WeakPolarHBondContact O-CD2 3.14Å; I104-Y108 PolarHBondContact O-N 3.02Å
105K73.9Confident73.4Confident59 Ų5952 Ų5226%0.25727%0.266SS..Hα-helixtrans-59.7-43.9176.4-69.3-176.9-179.5-178.30111.8S97 A100 T101 L102 H107 Y108 A109S97-K105 WeakPolarHBondContact O-CE 3.24Å; S97-K105 PolarHBondContact O-NZ 3.08Å; A100-K105 HydrophobicContact CB-CG 4.28Å; A100-K105 WeakPolarHBondContact O-CE 3.35Å; T101-K105 PolarHBondContact O-N 2.84Å; L102-K105 PolarHBondContact O-N 3.13Å; K105-H107 VanDerWaalsContact C-N 3.33Å; K105-H107 PolarHBondContact O-N 2.87Å; K105-Y108 PolarHBondContact O-N 2.85Å; K105-A109 WeakPolarHBondContact O-CB 3.32Å; K105-A109 PolarHBondContact O-N 2.58Å
106S73.6Confident73.6Confident6 Ų655.4 Ų55.44%0.04228%0.283CS..Hα-helixtrans-63.2-39.1175.8-67.30000112L102 E103 I104 F110L102-S106 WeakPolarHBondContact O-CB 3.23Å; L102-S106 PolarHBondContact O-N 2.84Å; L102-S106 PolarHBondContact O-OG 3.44Å; E103-S106 PolarHBondContact O-N 3.31Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 2.84Å; S106-F110 VanDerWaalsContact O-CB 3.27Å; S106-F110 WeakPolarHBondContact O-CB 3.19Å; S106-F110 PolarHBondContact O-N 3.04Å
107H78.6Confident73.7Confident84 Ų8455.5 Ų55.539%0.38929%0.286SS..Hα-helixtrans-66.1-47.1177.1-176.9-74.6000112.3E103 I104 K105 F110 R111 L168E103-H107 WeakPolarHBondContact O-CB 3.22Å; E103-H107 PolarHBondContact O-N 3.1Å; I104-H107 PolarHBondContact O-N 3.43Å; I104-H107 VanDerWaalsContact O-N 3.16Å; K105-H107 VanDerWaalsContact C-N 3.33Å; K105-H107 PolarHBondContact O-N 2.87Å; H107-F110 WeakPolarHBondContact O-CB 3.18Å; H107-F110 PolarHBondContact O-N 2.77Å; H107-R111 PolarHBondContact O-N 3.13Å; H107-L168 HydrophobicContact CB-CD1 4.22Å; H107-L168 WeakPolarHBondContact CD2-CD1 3.35Å
108Y76.1Confident74.2Confident47 Ų4758.7 Ų58.718%0.18430%0.302CS..Hα-helixtrans-66.7-40.2175.5-77-75.2000111.9V73 F74 D91 A95 I104 K105 F110 R111 I112V73-Y108 HydrophobicContact CG1-CD1 4.44Å; F74-Y108 HydrophobicContact CD1-CD1 4.48Å; F74-Y108 HydrophobicContact CD1-CE1 4.04Å; F74-Y108 AromaticContact CE1-CD1 3.61Å; F74-Y108 HydrophobicContact CE1-CD1 3.61Å; F74-Y108 AromaticContact CE1-CE1 3.29Å; F74-Y108 HydrophobicContact CE1-CE1 3.29Å; F74-Y108 HydrophobicContact CE1-CG 4.35Å; F74-Y108 AromaticContact CE1-CZ 3.84Å; F74-Y108 AromaticContact CE2-CD1 3.95Å; F74-Y108 HydrophobicContact CE2-CD1 3.95Å; F74-Y108 HydrophobicContact CE2-CE1 4.44Å; F74-Y108 AromaticContact CZ-CD1 3.28Å; F74-Y108 HydrophobicContact CZ-CD1 3.28Å; F74-Y108 HydrophobicContact CZ-CD2 4.42Å; F74-Y108 AromaticContact CZ-CE1 3.54Å; F74-Y108 HydrophobicContact CZ-CE1 3.54Å; F74-Y108 AromaticContact CZ-CG 3.78Å; F74-Y108 HydrophobicContact CZ-CG 3.78Å; D91-Y108 PolarHBondContact OD1-OH 3.44Å; A95-Y108 HydrophobicContact CB-CD2 3.79Å; A95-Y108 HydrophobicContact CB-CE2 3.92Å; A95-Y108 HydrophobicContact CB-CG 4.25Å; I104-Y108 HydrophobicContact CG2-CD2 3.59Å; I104-Y108 HydrophobicContact CG2-CE2 3.46Å; I104-Y108 VanDerWaalsContact CG2-CE2 3.46Å; I104-Y108 VanDerWaalsContact O-CD2 3.23Å; I104-Y108 WeakPolarHBondContact O-CD2 3.14Å; I104-Y108 PolarHBondContact O-N 3.02Å; K105-Y108 PolarHBondContact O-N 2.85Å; Y108-F110 VanDerWaalsContact C-N 3.34Å; Y108-F110 PolarHBondContact O-N 3.14Å; Y108-R111 PolarHBondContact O-N 2.96Å; Y108-I112 WeakPolarHBondContact O-CD1 3.04Å; Y108-I112 WeakPolarHBondContact O-CG1 2.98Å; Y108-I112 PolarHBondContact O-N 3.05Å
109A76.5Confident74.9Confident24 Ų2453.1 Ų53.120%0.19828%0.281CS..Hα-helixtrans-57.9-48.3174.600000110.8K105 R111 I112 F113 F171K105-A109 WeakPolarHBondContact O-CB 3.32Å; K105-A109 PolarHBondContact O-N 2.58Å; A109-R111 VanDerWaalsContact C-N 3.3Å; A109-R111 PolarHBondContact O-N 2.95Å; A109-I112 PolarHBondContact O-N 2.83Å; A109-I112 VanDerWaalsContact O-N 3.13Å; A109-F113 HydrophobicContact CB-CD2 4.33Å; A109-F113 HydrophobicContact CB-CE2 3.84Å; A109-F113 HydrophobicContact CB-CZ 4.42Å; A109-F113 WeakPolarHBondContact O-CB 3.47Å; A109-F113 WeakPolarHBondContact O-CD2 3.46Å; A109-F113 WeakPolarHBondContact O-CG 3.32Å; A109-F113 PolarHBondContact O-N 3.11Å; A109-F171 HydrophobicContact CB-CE1 4.32Å
110F78.7Confident75.8Confident7 Ų751 Ų513%0.03127%0.265CS..Hα-helixtrans-53.9-48.1175-173.4-91.2000111.5S106 H107 Y108 I112 F113 D114 G119 L121 V166 L168 F171S106-F110 VanDerWaalsContact O-CB 3.27Å; S106-F110 WeakPolarHBondContact O-CB 3.19Å; S106-F110 PolarHBondContact O-N 3.04Å; H107-F110 WeakPolarHBondContact O-CB 3.18Å; H107-F110 PolarHBondContact O-N 2.77Å; Y108-F110 VanDerWaalsContact C-N 3.34Å; Y108-F110 PolarHBondContact O-N 3.14Å; F110-I112 VanDerWaalsContact C-N 3.32Å; F110-I112 PolarHBondContact O-N 2.94Å; F110-F113 CarbonylContact O-C 3.57Å; F110-F113 PolarHBondContact O-N 2.77Å; F110-D114 WeakPolarHBondContact O-CB 2.88Å; F110-D114 PolarHBondContact O-N 3.45Å; F110-G119 WeakPolarHBondContact CE1-O 3.42Å; F110-G119 VanDerWaalsContact CZ-O 3.28Å; F110-G119 WeakPolarHBondContact CZ-O 3.34Å; F110-L121 HydrophobicContact CD2-CD1 3.64Å; F110-L121 HydrophobicContact CD2-CG 3.94Å; F110-L121 HydrophobicContact CE2-CB 4.47Å; F110-L121 HydrophobicContact CE2-CD1 3.6Å; F110-L121 HydrophobicContact CE2-CD2 4.46Å; F110-L121 HydrophobicContact CE2-CG 3.5Å; F110-L121 HydrophobicContact CZ-CD1 4.5Å; F110-L121 HydrophobicContact CZ-CG 3.94Å; F110-V166 VanDerWaalsContact CE2-O 3.31Å; F110-V166 WeakPolarHBondContact CE2-O 3.49Å; F110-V166 WeakPolarHBondContact CZ-O 3.26Å; F110-L168 HydrophobicContact CB-CD1 4.19Å; F110-L168 HydrophobicContact CD1-CB 4.35Å; F110-L168 HydrophobicContact CD1-CD1 3.98Å; F110-L168 HydrophobicContact CD2-CB 4.48Å; F110-L168 HydrophobicContact CE1-CB 4.3Å; F110-L168 HydrophobicContact CE2-CB 4.41Å; F110-L168 HydrophobicContact CG-CB 4.43Å; F110-L168 HydrophobicContact CG-CD1 4.09Å; F110-L168 HydrophobicContact CZ-CB 4.32Å; F110-F171 HydrophobicContact CB-CD1 3.95Å; F110-F171 HydrophobicContact CB-CE1 4.08Å; F110-F171 HydrophobicContact CD2-CB 3.62Å; F110-F171 AromaticContact CD2-CD1 3.76Å; F110-F171 HydrophobicContact CD2-CD1 3.76Å; F110-F171 HydrophobicContact CD2-CD2 4.22Å; F110-F171 HydrophobicContact CD2-CE1 4.43Å; F110-F171 AromaticContact CD2-CG 3.62Å; F110-F171 HydrophobicContact CD2-CG 3.62Å; F110-F171 HydrophobicContact CE2-CB 3.93Å; F110-F171 HydrophobicContact CE2-CG 4.32Å; F110-F171 HydrophobicContact CG-CD1 4.36Å
111R79.5Confident76.5Confident105 Ų10550.8 Ų50.840%0.39626%0.263SS..Hα-helixtrans-67.9-28.1179.9-161.3172.1179.5-165.72.8114.1V73 H107 Y108 A109 F113 D117V73-R111 HydrophobicContact CG1-CB 3.96Å; V73-R111 HydrophobicContact CG1-CG 3.66Å; V73-R111 HydrophobicContact CG2-CG 4.16Å; V73-R111 WeakPolarHBondContact CG2-O 3.24Å; H107-R111 PolarHBondContact O-N 3.13Å; Y108-R111 PolarHBondContact O-N 2.96Å; A109-R111 VanDerWaalsContact C-N 3.3Å; A109-R111 PolarHBondContact O-N 2.95Å; R111-F113 VanDerWaalsContact C-N 3.32Å; R111-D117 IonicContact NE-OD1 3.92Å
112I78.9Confident77.1Confident15 Ų1550.3 Ų50.38%0.07726%0.258CS..Hα-helixtrans-73.1-30.4172.6-68.3157.7000111F66 R69 I70 V73 Y108 A109 F110F66-I112 HydrophobicContact CB-CG2 4.02Å; F66-I112 HydrophobicContact CD1-CG2 4.38Å; F66-I112 HydrophobicContact CG-CG2 4.46Å; R69-I112 HydrophobicContact CB-CG2 3.99Å; I70-I112 HydrophobicContact CG1-CD1 3.68Å; I70-I112 HydrophobicContact CG1-CG1 4.09Å; I70-I112 HydrophobicContact CG1-CG2 4.2Å; V73-I112 HydrophobicContact CB-CG1 4.31Å; V73-I112 HydrophobicContact CG1-CG1 4.44Å; V73-I112 HydrophobicContact CG2-CG1 4.08Å; Y108-I112 WeakPolarHBondContact O-CD1 3.04Å; Y108-I112 WeakPolarHBondContact O-CG1 2.98Å; Y108-I112 PolarHBondContact O-N 3.05Å; A109-I112 PolarHBondContact O-N 2.83Å; A109-I112 VanDerWaalsContact O-N 3.13Å; F110-I112 VanDerWaalsContact C-N 3.32Å; F110-I112 PolarHBondContact O-N 2.94Å
113F75.8Confident77.6Confident9 Ų948.1 Ų48.14%0.03925%0.251CS..Hα-helixtrans-87-28.6-177.8-61.4-29.4000113.5F66 A109 F110 R111 F115 L121 L129 F171 F185 I187F66-F113 HydrophobicContact CE1-CE1 4.45Å; A109-F113 HydrophobicContact CB-CD2 4.33Å; A109-F113 HydrophobicContact CB-CE2 3.84Å; A109-F113 HydrophobicContact CB-CZ 4.42Å; A109-F113 WeakPolarHBondContact O-CB 3.47Å; A109-F113 WeakPolarHBondContact O-CD2 3.46Å; A109-F113 WeakPolarHBondContact O-CG 3.32Å; A109-F113 PolarHBondContact O-N 3.11Å; F110-F113 CarbonylContact O-C 3.57Å; F110-F113 PolarHBondContact O-N 2.77Å; R111-F113 VanDerWaalsContact C-N 3.32Å; F113-F115 WeakPolarHBondContact O-CD2 3.31Å; F113-F115 PolarHBondContact O-N 3.16Å; F113-L121 HydrophobicContact CB-CD1 4.41Å; F113-L121 HydrophobicContact CB-CD2 3.73Å; F113-L129 HydrophobicContact CB-CD1 3.56Å; F113-L129 HydrophobicContact CD1-CD1 3.05Å; F113-L129 HydrophobicContact CD1-CG 4.11Å; F113-L129 HydrophobicContact CD2-CD1 3.78Å; F113-L129 HydrophobicContact CE1-CD1 3.54Å; F113-L129 HydrophobicContact CE1-CG 4.35Å; F113-L129 HydrophobicContact CE2-CD1 4.21Å; F113-L129 HydrophobicContact CG-CD1 3.17Å; F113-L129 HydrophobicContact CZ-CD1 4.11Å; F113-F171 HydrophobicContact CD2-CE2 4.18Å; F113-F171 AromaticContact CD2-CZ 3.68Å; F113-F171 HydrophobicContact CD2-CZ 3.68Å; F113-F171 AromaticContact CE2-CZ 3.81Å; F113-F171 HydrophobicContact CE2-CZ 3.81Å; F113-F185 HydrophobicContact CE1-CD1 4.48Å; F113-F185 AromaticContact CE2-CD1 3.78Å; F113-F185 HydrophobicContact CE2-CD1 3.78Å; F113-F185 HydrophobicContact CE2-CE1 4.13Å; F113-F185 AromaticContact CZ-CD1 3.67Å; F113-F185 HydrophobicContact CZ-CD1 3.67Å; F113-F185 HydrophobicContact CZ-CE1 4.22Å; F113-I187 HydrophobicContact CE1-CD1 4Å; F113-I187 HydrophobicContact CZ-CD1 4.09Å
114D81.7Confident77.8Confident8 Ų842.9 Ų42.94%0.04323%0.233CC..  trans-71108.3170.9177.7-2.6000108.8F110 D116 D117 D118 G119 L121F110-D114 WeakPolarHBondContact O-CB 2.88Å; F110-D114 PolarHBondContact O-N 3.45Å; D114-D116 PolarHBondContact OD1-N 3.23Å; D114-D117 WeakPolarHBondContact OD1-CA 3.43Å; D114-D117 PolarHBondContact OD1-N 2.81Å; D114-D117 VanDerWaalsContact OD2-C 3.31Å; D114-D117 VanDerWaalsContact OD2-CA 3.22Å; D114-D117 WeakPolarHBondContact OD2-CA 3.26Å; D114-D118 PolarHBondContact OD1-N 2.91Å; D114-D118 PolarHBondContact OD2-N 3.33Å; D114-D118 VanDerWaalsContact OD2-N 3.14Å; D114-G119 WeakPolarHBondContact OD2-CA 3.13Å; D114-G119 PolarHBondContact OD2-N 3.26Å; D114-L121 HydrophobicContact CB-CD2 3.98Å; D114-L121 VanDerWaalsContact N-CD2 3.31Å
115F73Confident78.2Confident44 Ų4440.4 Ų40.419%0.19322%0.22CC..SBendtrans-83.6-24.7-176.2-80.2-111000112.6R69 F113 D125 K128R69-F115 HydrophobicContact CG-CE1 4.37Å; R69-F115 VanDerWaalsContact NE-CD1 3.34Å; R69-F115 VanDerWaalsContact NH2-CG 3.28Å; R69-F115 PolarHBondContact NH2-O 3.22Å; F113-F115 WeakPolarHBondContact O-CD2 3.31Å; F113-F115 PolarHBondContact O-N 3.16Å; F115-D125 WeakPolarHBondContact CB-OD1 3Å; F115-D125 HydrophobicContact CD2-CB 4.22Å; F115-K128 HydrophobicContact CB-CD 4.17Å; F115-K128 HydrophobicContact CD1-CB 4.5Å; F115-K128 HydrophobicContact CD1-CD 3.61Å; F115-K128 HydrophobicContact CD2-CB 4.15Å; F115-K128 HydrophobicContact CD2-CD 3.95Å; F115-K128 HydrophobicContact CE1-CB 4.17Å; F115-K128 HydrophobicContact CE1-CD 4.04Å; F115-K128 HydrophobicContact CE2-CB 3.75Å; F115-K128 HydrophobicContact CE2-CD 4.31Å; F115-K128 HydrophobicContact CG-CD 3.64Å; F115-K128 HydrophobicContact CZ-CB 3.8Å; F115-K128 HydrophobicContact CZ-CD 4.38Å
116D75.8Confident78.3Confident80 Ų8037.9 Ų37.943%0.42821%0.21SC..SBendtrans-101.6-0.8-178.451.5-68.9000114.4D114 D118 D125D114-D116 PolarHBondContact OD1-N 3.23Å; D116-D118 PolarHBondContact O-N 3.31Å; D116-D118 VanDerWaalsContact OD2-CB 3.24Å; D116-D118 WeakPolarHBondContact OD2-CB 3.45Å; D116-D125 VanDerWaalsContact OD1-OD2 3.1Å
117D72.6Confident78.4Confident67 Ų6741.5 Ų41.536%0.35823%0.226SC..  trans5633.3-178.6-80.6-84.4000111.2K80 R111 D114 G119K80-D117 IonicContact NZ-OD2 3.1Å; K80-D117 PolarHBondContact NZ-OD2 3.07Å; K80-D117 VanDerWaalsContact NZ-OD2 3.1Å; R111-D117 IonicContact NE-OD1 3.92Å; D114-D117 WeakPolarHBondContact OD1-CA 3.43Å; D114-D117 PolarHBondContact OD1-N 2.81Å; D114-D117 VanDerWaalsContact OD2-C 3.31Å; D114-D117 VanDerWaalsContact OD2-CA 3.22Å; D114-D117 WeakPolarHBondContact OD2-CA 3.26Å; D117-G119 VanDerWaalsContact C-N 3.35Å
118D80.1Confident78.2Confident82 Ų8241.8 Ų41.844%0.43923%0.226SC..SBendtrans-86.4-9.8179.188.6-44.5000113D114 D116 T120D114-D118 PolarHBondContact OD1-N 2.91Å; D114-D118 PolarHBondContact OD2-N 3.33Å; D114-D118 VanDerWaalsContact OD2-N 3.14Å; D116-D118 PolarHBondContact O-N 3.31Å; D116-D118 VanDerWaalsContact OD2-CB 3.24Å; D116-D118 WeakPolarHBondContact OD2-CB 3.45Å; D118-T120 VanDerWaalsContact C-N 3.33Å; D118-T120 VanDerWaalsContact CG-OG1 3.31Å; D118-T120 WeakPolarHBondContact OD1-CA 3.36Å; D118-T120 PolarHBondContact OD1-N 2.9Å; D118-T120 PolarHBondContact OD1-OG1 3.14Å; D118-T120 PolarHBondContact OD2-OG1 3.04Å
119G79.3Confident78.1Confident38 Ų3839.6 Ų39.639%0.39222%0.218SC..SBendtrans82.610.7-178.300000113.7F110 D114 D117F110-G119 WeakPolarHBondContact CE1-O 3.42Å; F110-G119 VanDerWaalsContact CZ-O 3.28Å; F110-G119 WeakPolarHBondContact CZ-O 3.34Å; D114-G119 WeakPolarHBondContact OD2-CA 3.13Å; D114-G119 PolarHBondContact OD2-N 3.26Å; D117-G119 VanDerWaalsContact C-N 3.35Å
120T83.2Confident77.9Confident32 Ų3239 Ų3920%0.19621%0.211CC..EExtended strand (participates in β ladder)trans-127.4157.6170.676.20000110.2D118D118-T120 VanDerWaalsContact C-N 3.33Å; D118-T120 VanDerWaalsContact CG-OG1 3.31Å; D118-T120 WeakPolarHBondContact OD1-CA 3.36Å; D118-T120 PolarHBondContact OD1-N 2.9Å; D118-T120 PolarHBondContact OD1-OG1 3.14Å; D118-T120 PolarHBondContact OD2-OG1 3.04Å
121L83Confident77.6Confident2 Ų242.8 Ų42.81%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-106.6109171.6-64.8171.8000108F110 F113 D114 D125 L126 T165 V166 F171F110-L121 HydrophobicContact CD2-CD1 3.64Å; F110-L121 HydrophobicContact CD2-CG 3.94Å; F110-L121 HydrophobicContact CE2-CB 4.47Å; F110-L121 HydrophobicContact CE2-CD1 3.6Å; F110-L121 HydrophobicContact CE2-CD2 4.46Å; F110-L121 HydrophobicContact CE2-CG 3.5Å; F110-L121 HydrophobicContact CZ-CD1 4.5Å; F110-L121 HydrophobicContact CZ-CG 3.94Å; F113-L121 HydrophobicContact CB-CD1 4.41Å; F113-L121 HydrophobicContact CB-CD2 3.73Å; D114-L121 HydrophobicContact CB-CD2 3.98Å; D114-L121 VanDerWaalsContact N-CD2 3.31Å; L121-D125 HydrophobicContact CD2-CB 4.49Å; L121-L126 HydrophobicContact CB-CG 4.49Å; L121-T165 WeakPolarHBondContact O-CA 3.45Å; L121-V166 HydrophobicContact CB-CB 4.2Å; L121-V166 PolarHBondContact N-O 3.4Å; L121-V166 PolarHBondContact O-N 3.17Å; L121-F171 HydrophobicContact CD1-CD2 3.71Å; L121-F171 HydrophobicContact CD1-CE2 3.94Å; L121-F171 HydrophobicContact CD1-CG 4.39Å
122D84.4Confident76.9Confident55 Ų5540 Ų4029%0.29423%0.228SC..  trans-83.3167.7177.181.8-155.3000112G124 D125 L126 T165D122-G124 PolarHBondContact O-N 3.28Å; D122-G124 WeakPolarHBondContact OD2-CA 3.24Å; D122-G124 PolarHBondContact OD2-N 2.58Å; D122-D125 PolarHBondContact N-OD2 3.46Å; D122-D125 PolarHBondContact O-N 2.84Å; D122-D125 VanDerWaalsContact O-N 3.11Å; D122-D125 PolarHBondContact OD2-N 2.86Å; D122-L126 PolarHBondContact O-N 2.88Å; D122-T165 HydrophobicContact CB-CG2 4.48Å
123C78.8Confident76.2Confident60 Ų6041.6 Ų41.641%0.40524%0.236SC..Hα-helixtrans-54.1-37.9177.2-72.70000112.9E127 I151 L155C123-E127 VanDerWaalsContact O-CB 3.32Å; C123-E127 WeakPolarHBondContact O-CB 3.34Å; C123-E127 PolarHBondContact O-N 3.5Å; C123-I151 HydrophobicContact CB-CG2 4.39Å; C123-L155 HydrophobicContact CB-CD1 4.49Å; C123-L155 WeakPolarHBondContact SG-CD1 3.3Å
124G77.4Confident75.6Confident25 Ų2542.1 Ų42.126%0.25824%0.24SC..Hα-helixtrans-71.9-30.7177.600000113.7D122 E127 K128D122-G124 PolarHBondContact O-N 3.28Å; D122-G124 WeakPolarHBondContact OD2-CA 3.24Å; D122-G124 PolarHBondContact OD2-N 2.58Å; G124-E127 WeakPolarHBondContact O-CB 3.29Å; G124-E127 PolarHBondContact O-N 2.77Å; G124-K128 VanDerWaalsContact O-CG 3.3Å; G124-K128 WeakPolarHBondContact O-CG 3.5Å; G124-K128 PolarHBondContact O-N 3.39Å
125D81.2Confident74.2Confident0 Ų044 Ų440%026%0.262CS..Hα-helixtrans-75-42.3173.6-59.4-42.8000112.1F115 D116 L121 D122 E127 K128 L129F115-D125 WeakPolarHBondContact CB-OD1 3Å; F115-D125 HydrophobicContact CD2-CB 4.22Å; D116-D125 VanDerWaalsContact OD1-OD2 3.1Å; L121-D125 HydrophobicContact CD2-CB 4.49Å; D122-D125 PolarHBondContact N-OD2 3.46Å; D122-D125 PolarHBondContact O-N 2.84Å; D122-D125 VanDerWaalsContact O-N 3.11Å; D122-D125 PolarHBondContact OD2-N 2.86Å; D125-E127 PolarHBondContact O-N 3.19Å; D125-K128 PolarHBondContact O-N 3.32Å; D125-K128 IonicContact OD1-NZ 2.82Å; D125-K128 PolarHBondContact OD1-NZ 3.31Å; D125-L129 WeakPolarHBondContact O-CB 3.04Å; D125-L129 PolarHBondContact O-N 3.11Å
126L76.4Confident73Confident6 Ų648.7 Ų48.73%0.03128%0.284CS..Hα-helixtrans-59.3-36168.4-66172.3000110.8L121 D122 V130 I151 L155L121-L126 HydrophobicContact CB-CG 4.49Å; D122-L126 PolarHBondContact O-N 2.88Å; L126-V130 WeakPolarHBondContact O-CB 3.34Å; L126-V130 VanDerWaalsContact O-CG2 3.23Å; L126-V130 WeakPolarHBondContact O-CG2 3.47Å; L126-V130 PolarHBondContact O-N 2.99Å; L126-I151 HydrophobicContact CB-CD1 4.33Å; L126-I151 HydrophobicContact CB-CG1 4.05Å; L126-I151 HydrophobicContact CB-CG2 4.01Å; L126-I151 HydrophobicContact CD1-CG2 4.02Å; L126-L155 HydrophobicContact CD1-CD1 4.44Å; L126-L155 HydrophobicContact CD1-CD2 4.08Å; L126-L155 HydrophobicContact CD1-CG 4.1Å
127E75.9Confident71.5Confident81 Ų8148.5 Ų48.538%0.37929%0.286SS..Hα-helixtrans-64.2-54.9173.5-163.1179.992.200111.1C123 G124 D125 L129 V130 N131 M147 I151C123-E127 VanDerWaalsContact O-CB 3.32Å; C123-E127 WeakPolarHBondContact O-CB 3.34Å; C123-E127 PolarHBondContact O-N 3.5Å; G124-E127 WeakPolarHBondContact O-CB 3.29Å; G124-E127 PolarHBondContact O-N 2.77Å; D125-E127 PolarHBondContact O-N 3.19Å; E127-L129 PolarHBondContact O-N 3.21Å; E127-V130 PolarHBondContact O-N 3.03Å; E127-N131 VanDerWaalsContact O-CB 3.28Å; E127-N131 WeakPolarHBondContact O-CB 3.47Å; E127-N131 PolarHBondContact O-N 2.98Å; E127-M147 VanDerWaalsContact C-CE 3.5Å; E127-M147 HydrophobicContact CB-CE 4.1Å; E127-M147 HydrophobicContact CG-CE 3.4Å; E127-M147 VanDerWaalsContact CG-CE 3.4Å; E127-M147 HydrophobicContact CG-SD 3.79Å; E127-M147 WeakPolarHBondContact O-CE 3.43Å; E127-I151 HydrophobicContact CB-CD1 3.82Å; E127-I151 HydrophobicContact CG-CD1 4.26Å
128K75Confident70.5Confident91 Ų9153.9 Ų53.940%0.39631%0.309SS..Hα-helixtrans-56.3-40.5177.6-70.4169.2-152.9143.40111.8F115 G124 D125 N131 C132F115-K128 HydrophobicContact CB-CD 4.17Å; F115-K128 HydrophobicContact CD1-CB 4.5Å; F115-K128 HydrophobicContact CD1-CD 3.61Å; F115-K128 HydrophobicContact CD2-CB 4.15Å; F115-K128 HydrophobicContact CD2-CD 3.95Å; F115-K128 HydrophobicContact CE1-CB 4.17Å; F115-K128 HydrophobicContact CE1-CD 4.04Å; F115-K128 HydrophobicContact CE2-CB 3.75Å; F115-K128 HydrophobicContact CE2-CD 4.31Å; F115-K128 HydrophobicContact CG-CD 3.64Å; F115-K128 HydrophobicContact CZ-CB 3.8Å; F115-K128 HydrophobicContact CZ-CD 4.38Å; G124-K128 VanDerWaalsContact O-CG 3.3Å; G124-K128 WeakPolarHBondContact O-CG 3.5Å; G124-K128 PolarHBondContact O-N 3.39Å; D125-K128 PolarHBondContact O-N 3.32Å; D125-K128 IonicContact OD1-NZ 2.82Å; D125-K128 PolarHBondContact OD1-NZ 3.31Å; K128-N131 PolarHBondContact O-N 3Å; K128-C132 VanDerWaalsContact O-CB 3.24Å; K128-C132 WeakPolarHBondContact O-CB 3.24Å; K128-C132 PolarHBondContact O-N 3.07Å
129L73.9Confident69Low1 Ų157.6 Ų57.61%0.00533%0.329CS..Hα-helixtrans-63.2-53179.1179.7149.5000111.9F66 F113 D125 E127 N131 C132 L133 F185F66-L129 HydrophobicContact CE1-CG 4.47Å; F66-L129 HydrophobicContact CZ-CG 4.38Å; F113-L129 HydrophobicContact CB-CD1 3.56Å; F113-L129 HydrophobicContact CD1-CD1 3.05Å; F113-L129 HydrophobicContact CD1-CG 4.11Å; F113-L129 HydrophobicContact CD2-CD1 3.78Å; F113-L129 HydrophobicContact CE1-CD1 3.54Å; F113-L129 HydrophobicContact CE1-CG 4.35Å; F113-L129 HydrophobicContact CE2-CD1 4.21Å; F113-L129 HydrophobicContact CG-CD1 3.17Å; F113-L129 HydrophobicContact CZ-CD1 4.11Å; D125-L129 WeakPolarHBondContact O-CB 3.04Å; D125-L129 PolarHBondContact O-N 3.11Å; E127-L129 PolarHBondContact O-N 3.21Å; L129-N131 PolarHBondContact O-N 3.13Å; L129-C132 PolarHBondContact O-N 3.08Å; L129-C132 VanDerWaalsContact O-N 3.08Å; L129-L133 HydrophobicContact CD2-CD1 3.53Å; L129-L133 HydrophobicContact CD2-CG 4.44Å; L129-L133 HydrophobicContact CG-CD1 4.38Å; L129-L133 PolarHBondContact O-N 3.48Å; L129-F185 HydrophobicContact CD1-CE1 3.72Å; L129-F185 HydrophobicContact CD2-CD1 4.17Å; L129-F185 HydrophobicContact CD2-CE1 3.2Å; L129-F185 HydrophobicContact CD2-CZ 3.44Å; L129-F185 VanDerWaalsContact CD2-CZ 3.44Å; L129-F185 HydrophobicContact CG-CE1 4.06Å
130V70.9Confident67.7Low10 Ų1059.2 Ų59.26%0.06133%0.331CS..Hα-helixtrans-63.4-39-179.9171.10000108.8L126 E127 C132 L133 T134 L142 M147 L150L126-V130 WeakPolarHBondContact O-CB 3.34Å; L126-V130 VanDerWaalsContact O-CG2 3.23Å; L126-V130 WeakPolarHBondContact O-CG2 3.47Å; L126-V130 PolarHBondContact O-N 2.99Å; E127-V130 PolarHBondContact O-N 3.03Å; V130-C132 VanDerWaalsContact C-N 3.31Å; V130-C132 PolarHBondContact O-N 3.34Å; V130-L133 PolarHBondContact O-N 3.49Å; V130-T134 WeakPolarHBondContact O-CB 3.28Å; V130-T134 PolarHBondContact O-N 3.01Å; V130-T134 PolarHBondContact O-OG1 3.33Å; V130-L142 HydrophobicContact CG1-CD1 3.98Å; V130-M147 HydrophobicContact CB-CE 3.71Å; V130-M147 HydrophobicContact CB-CG 4.46Å; V130-M147 HydrophobicContact CG1-CE 3.89Å; V130-M147 HydrophobicContact CG1-CG 4.01Å; V130-L150 HydrophobicContact CG2-CD2 4.05Å
131N72.1Confident66.3Low88 Ų8866.2 Ų66.247%0.47135%0.354SS..Hα-helixtrans-64.7-35.4175.9-170.647.2000112.3E127 K128 L129 G135 M147E127-N131 VanDerWaalsContact O-CB 3.28Å; E127-N131 WeakPolarHBondContact O-CB 3.47Å; E127-N131 PolarHBondContact O-N 2.98Å; K128-N131 PolarHBondContact O-N 3Å; L129-N131 PolarHBondContact O-N 3.13Å; N131-G135 VanDerWaalsContact O-CA 3.31Å; N131-G135 WeakPolarHBondContact O-CA 3.47Å; N131-G135 PolarHBondContact O-N 2.77Å; N131-M147 HydrophobicContact CB-CE 3.7Å
132C66.6Low65Low46 Ų4669.4 Ų69.431%0.31137%0.371SS..Hα-helixtrans-72.7-38.7178-157.90000112F66 K128 L129 V130F66-C132 HydrophobicContact CE1-CB 3.8Å; F66-C132 HydrophobicContact CZ-CB 3.75Å; K128-C132 VanDerWaalsContact O-CB 3.24Å; K128-C132 WeakPolarHBondContact O-CB 3.24Å; K128-C132 PolarHBondContact O-N 3.07Å; L129-C132 PolarHBondContact O-N 3.08Å; L129-C132 VanDerWaalsContact O-N 3.08Å; V130-C132 VanDerWaalsContact C-N 3.31Å; V130-C132 PolarHBondContact O-N 3.34Å
133L63.6Low64.2Low48 Ų4870.1 Ų70.125%0.25138%0.38SS..Hα-helixtrans-67.6-41.8172.7-74.9169.2000112.7F66 L129 V130 F185 I187F66-L133 HydrophobicContact CE2-CD2 3.59Å; F66-L133 HydrophobicContact CE2-CG 3.88Å; F66-L133 HydrophobicContact CZ-CD2 4.08Å; F66-L133 HydrophobicContact CZ-CG 3.83Å; L129-L133 HydrophobicContact CD2-CD1 3.53Å; L129-L133 HydrophobicContact CD2-CG 4.44Å; L129-L133 HydrophobicContact CG-CD1 4.38Å; L129-L133 PolarHBondContact O-N 3.48Å; V130-L133 PolarHBondContact O-N 3.49Å; L133-F185 HydrophobicContact CD1-CD1 4.37Å; L133-F185 HydrophobicContact CD1-CE1 4.36Å; L133-I187 HydrophobicContact CD2-CD1 3.98Å; L133-I187 HydrophobicContact CD2-CG1 3.43Å; L133-I187 VanDerWaalsContact CD2-CG1 3.43Å
134T62.4Low63.8Low20 Ų2071.6 Ų71.612%0.12339%0.391CS..Hα-helixtrans-86.8-13.9-171.9-46.90000112V130 E136 T140 L142V130-T134 WeakPolarHBondContact O-CB 3.28Å; V130-T134 PolarHBondContact O-N 3.01Å; V130-T134 PolarHBondContact O-OG1 3.33Å; T134-E136 VanDerWaalsContact C-N 3.29Å; T134-E136 PolarHBondContact O-N 3.46Å; T134-T140 WeakPolarHBondContact CG2-O 3.2Å; T134-T140 PolarHBondContact O-OG1 2.79Å; T134-L142 HydrophobicContact CG2-CG 4.32Å
135G51.8Low63.6Low48 Ų4877.2 Ų77.250%0.49541%0.411SS..THydrogen-bonded Turntrans-73.4-5.8-171.900000116.3N131N131-G135 VanDerWaalsContact O-CA 3.31Å; N131-G135 WeakPolarHBondContact O-CA 3.47Å; N131-G135 PolarHBondContact O-N 2.77Å
136E48.8Very low63.3Low142 Ų14282.1 Ų82.166%0.66443%0.433SS*.THydrogen-bonded Turntrans-84.1-19.3-179-100.9173.974.400114.5T134T134-E136 VanDerWaalsContact C-N 3.29Å; T134-E136 PolarHBondContact O-N 3.46Å
137T45.3Very low63Low76 Ų7682.6 Ų82.647%0.46644%0.436SS..  trans-138.6131.6179.443.30000113D139 T140T137-D139 PolarHBondContact O-N 3.08Å; T137-D139 VanDerWaalsContact O-N 3.17Å; T137-T140 PolarHBondContact O-N 3.19Å; T137-T140 PolarHBondContact O-OG1 3.27Å; T137-T140 VanDerWaalsContact O-OG1 3.06Å; T137-T140 PolarHBondContact OG1-OG1 3.28Å
138E50.1Low63Low181 Ų18186.3 Ų86.385%0.84645%0.446SS*.THydrogen-bonded Turntrans-57.9-25.9176.7-80.517479.900112.6
139D49Very low63.1Low160 Ų16087.6 Ų87.686%0.85645%0.454SS*.THydrogen-bonded Turntrans-77.1-19.3179.9-62.1-87.4000115T137T137-D139 PolarHBondContact O-N 3.08Å; T137-D139 VanDerWaalsContact O-N 3.17Å
140T52.9Low63.1Low72 Ų7291.2 Ų91.244%0.44247%0.473SS..THydrogen-bonded Turntrans-101.1-11.1178.136.80000113T134 T137 L142T134-T140 WeakPolarHBondContact CG2-O 3.2Å; T134-T140 PolarHBondContact O-OG1 2.79Å; T137-T140 PolarHBondContact O-N 3.19Å; T137-T140 PolarHBondContact O-OG1 3.27Å; T137-T140 VanDerWaalsContact O-OG1 3.06Å; T137-T140 PolarHBondContact OG1-OG1 3.28Å; T140-L142 PolarHBondContact O-N 2.89Å
141R52.1Low63.4Low178 Ų17891 Ų9167%0.67247%0.471SS*.  trans-57.296.5-172.8-139.8-179.4-166.4173.25.6110.4S143R141-S143 PolarHBondContact O-N 3.47Å
142L57.2Low63.7Low69 Ų6991.4 Ų91.436%0.36147%0.474SS..  trans-60.2134.8178.8-69170.7000108.2V130 T134 T140 E146 M147V130-L142 HydrophobicContact CG1-CD1 3.98Å; T134-L142 HydrophobicContact CG2-CG 4.32Å; T140-L142 PolarHBondContact O-N 2.89Å; L142-E146 HydrophobicContact CB-CB 4.23Å; L142-E146 HydrophobicContact CD2-CB 4.08Å; L142-M147 HydrophobicContact CB-CB 4.26Å
143S67.9Low64.2Low71 Ų7194.2 Ų94.250%0.49749%0.485SS..  trans-59.7149.5170.3-158.70000108.6R141 E145 E146 M147R141-S143 PolarHBondContact O-N 3.47Å; S143-E145 PolarHBondContact O-N 3Å; S143-E146 PolarHBondContact O-N 3.19Å; S143-M147 WeakPolarHBondContact O-CB 3.35Å; S143-M147 PolarHBondContact O-N 2.98Å
144S69Low64.7Low90 Ų9093 Ų9363%0.62948%0.479SS*.Hα-helixtrans-54.8-26.4-179.3-50.30000112.6R148S144-R148 WeakPolarHBondContact O-CB 3.08Å; S144-R148 WeakPolarHBondContact O-CG 3.34Å; S144-R148 PolarHBondContact O-N 3.43Å
145E74.1Confident65.3Low143 Ų14392.6 Ų92.667%0.66848%0.476SS*.Hα-helixtrans-72.8-48.7172.9-67.1176.488.300112.9S143 M147 R148 Q149S143-E145 PolarHBondContact O-N 3Å; E145-M147 VanDerWaalsContact C-N 3.3Å; E145-M147 PolarHBondContact O-N 2.87Å; E145-R148 PolarHBondContact O-N 3.02Å; E145-Q149 WeakPolarHBondContact O-CG 3.41Å; E145-Q149 PolarHBondContact O-N 3.07Å
146E73.6Confident66.7Low103 Ų10395.9 Ų95.948%0.48148%0.482SS..Hα-helixtrans-62.3-40.7178-64.3-63.3116.400111.4L142 S143 Q149 L150L142-E146 HydrophobicContact CB-CB 4.23Å; L142-E146 HydrophobicContact CD2-CB 4.08Å; S143-E146 PolarHBondContact O-N 3.19Å; E146-Q149 PolarHBondContact O-N 3Å; E146-L150 WeakPolarHBondContact O-CB 3.42Å; E146-L150 PolarHBondContact O-N 3.3Å
147M71.6Confident67.9Low16 Ų1695.2 Ų95.28%0.07948%0.479CS..Hα-helixtrans-62.1-47.2176.2-172.9179.7-165.500111.6E127 V130 N131 L142 S143 E145 Q149 L150 I151E127-M147 VanDerWaalsContact C-CE 3.5Å; E127-M147 HydrophobicContact CB-CE 4.1Å; E127-M147 HydrophobicContact CG-CE 3.4Å; E127-M147 VanDerWaalsContact CG-CE 3.4Å; E127-M147 HydrophobicContact CG-SD 3.79Å; E127-M147 WeakPolarHBondContact O-CE 3.43Å; V130-M147 HydrophobicContact CB-CE 3.71Å; V130-M147 HydrophobicContact CB-CG 4.46Å; V130-M147 HydrophobicContact CG1-CE 3.89Å; V130-M147 HydrophobicContact CG1-CG 4.01Å; N131-M147 HydrophobicContact CB-CE 3.7Å; L142-M147 HydrophobicContact CB-CB 4.26Å; S143-M147 WeakPolarHBondContact O-CB 3.35Å; S143-M147 PolarHBondContact O-N 2.98Å; E145-M147 VanDerWaalsContact C-N 3.3Å; E145-M147 PolarHBondContact O-N 2.87Å; M147-Q149 VanDerWaalsContact C-N 3.32Å; M147-Q149 PolarHBondContact O-N 3.36Å; M147-L150 PolarHBondContact O-N 3.49Å; M147-I151 HydrophobicContact CG-CD1 4.04Å; M147-I151 WeakPolarHBondContact O-CD1 3.16Å; M147-I151 WeakPolarHBondContact O-CG1 3.5Å; M147-I151 PolarHBondContact O-N 3.36Å
148R75.3Confident69.3Low159 Ų15991.8 Ų91.860%0.646%0.458SS*.Hα-helixtrans-63.1-37.9173.9-84.4178.8176.6178.5-1.5112.6S144 E145 N152S144-R148 WeakPolarHBondContact O-CB 3.08Å; S144-R148 WeakPolarHBondContact O-CG 3.34Å; S144-R148 PolarHBondContact O-N 3.43Å; E145-R148 PolarHBondContact O-N 3.02Å; R148-N152 WeakPolarHBondContact O-CB 3.47Å; R148-N152 PolarHBondContact O-N 3.26Å; R148-N152 PolarHBondContact O-ND2 3.05Å
149Q77.3Confident70.8Confident118 Ų11883.9 Ų83.955%0.55142%0.422SS*.Hα-helixtrans-65.9-42.9176.6-75.7-172.6-0.300111.3E145 E146 M147 N152 N153E145-Q149 WeakPolarHBondContact O-CG 3.41Å; E145-Q149 PolarHBondContact O-N 3.07Å; E146-Q149 PolarHBondContact O-N 3Å; M147-Q149 VanDerWaalsContact C-N 3.32Å; M147-Q149 PolarHBondContact O-N 3.36Å; Q149-N152 PolarHBondContact O-N 3.15Å; Q149-N153 WeakPolarHBondContact O-CB 3.25Å; Q149-N153 PolarHBondContact O-N 2.92Å
150L74.8Confident72.2Confident78 Ų7882 Ų8241%0.40841%0.41SS..Hα-helixtrans-61.5-47.7175.7-170123.2000111.1V130 E146 M147 N153 I154V130-L150 HydrophobicContact CG2-CD2 4.05Å; E146-L150 WeakPolarHBondContact O-CB 3.42Å; E146-L150 PolarHBondContact O-N 3.3Å; M147-L150 PolarHBondContact O-N 3.49Å; L150-N153 PolarHBondContact O-N 2.85Å; L150-I154 HydrophobicContact CD2-CD1 3.45Å; L150-I154 VanDerWaalsContact CD2-CD1 3.45Å; L150-I154 HydrophobicContact CG-CD1 3.94Å; L150-I154 WeakPolarHBondContact O-CB 2.99Å; L150-I154 WeakPolarHBondContact O-CD1 3.39Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 PolarHBondContact O-N 3.39Å
151I75.2Confident73.6Confident4 Ų484.9 Ų84.92%0.02142%0.423CS..Hα-helixtrans-62.5-44.1177.5-65.4164.2000111.1C123 L126 E127 M147 N153 I154 L155C123-I151 HydrophobicContact CB-CG2 4.39Å; L126-I151 HydrophobicContact CB-CD1 4.33Å; L126-I151 HydrophobicContact CB-CG1 4.05Å; L126-I151 HydrophobicContact CB-CG2 4.01Å; L126-I151 HydrophobicContact CD1-CG2 4.02Å; E127-I151 HydrophobicContact CB-CD1 3.82Å; E127-I151 HydrophobicContact CG-CD1 4.26Å; M147-I151 HydrophobicContact CG-CD1 4.04Å; M147-I151 WeakPolarHBondContact O-CD1 3.16Å; M147-I151 WeakPolarHBondContact O-CG1 3.5Å; M147-I151 PolarHBondContact O-N 3.36Å; I151-N153 PolarHBondContact O-N 3.28Å; I151-I154 PolarHBondContact O-N 2.92Å; I151-L155 HydrophobicContact CG2-CD1 3.7Å; I151-L155 HydrophobicContact CG2-CG 4.4Å; I151-L155 WeakPolarHBondContact O-CB 3.33Å; I151-L155 VanDerWaalsContact O-CG 3.32Å; I151-L155 WeakPolarHBondContact O-CG 3.45Å; I151-L155 PolarHBondContact O-N 3.38Å
152N79.1Confident74.9Confident98 Ų9884 Ų8452%0.52442%0.424SS..Hα-helixtrans-64.2-39.3176.4-86.8-80.2000112.4R148 Q149 L155 D156R148-N152 WeakPolarHBondContact O-CB 3.47Å; R148-N152 PolarHBondContact O-N 3.26Å; R148-N152 PolarHBondContact O-ND2 3.05Å; Q149-N152 PolarHBondContact O-N 3.15Å; N152-L155 PolarHBondContact O-N 3.02Å; N152-D156 WeakPolarHBondContact O-CB 3.36Å; N152-D156 PolarHBondContact O-N 3.38Å
153N76.7Confident76.1Confident104 Ų10485.1 Ų85.156%0.55643%0.431SS*.Hα-helixtrans-65.5-43.8175.4-103.642.6000111.2Q149 L150 I151 D156 E157Q149-N153 WeakPolarHBondContact O-CB 3.25Å; Q149-N153 PolarHBondContact O-N 2.92Å; L150-N153 PolarHBondContact O-N 2.85Å; I151-N153 PolarHBondContact O-N 3.28Å; N153-D156 PolarHBondContact O-N 2.97Å; N153-E157 WeakPolarHBondContact O-CB 3.38Å; N153-E157 WeakPolarHBondContact O-CG 3.09Å; N153-E157 PolarHBondContact O-N 3.28Å
154I74.2Confident76.5Confident23 Ų2383.4 Ų83.412%0.11842%0.424CS..Hα-helixtrans-59.6-50.6175.7-67.7157.9000109.1L150 I151 E157 S158 F181L150-I154 HydrophobicContact CD2-CD1 3.45Å; L150-I154 VanDerWaalsContact CD2-CD1 3.45Å; L150-I154 HydrophobicContact CG-CD1 3.94Å; L150-I154 WeakPolarHBondContact O-CB 2.99Å; L150-I154 WeakPolarHBondContact O-CD1 3.39Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 PolarHBondContact O-N 3.39Å; I151-I154 PolarHBondContact O-N 2.92Å; I154-E157 PolarHBondContact O-N 3.33Å; I154-S158 WeakPolarHBondContact O-CA 3.29Å; I154-S158 WeakPolarHBondContact O-CB 3.23Å; I154-S158 PolarHBondContact O-N 2.84Å; I154-S158 PolarHBondContact O-OG 3.37Å; I154-F181 HydrophobicContact CD1-CE2 3.66Å; I154-F181 HydrophobicContact CD1-CZ 4.41Å; I154-F181 HydrophobicContact CG1-CE2 3.87Å; I154-F181 HydrophobicContact CG2-CE2 4.02Å; I154-F181 HydrophobicContact CG2-CZ 4.22Å
155L76.4Confident77.3Confident11 Ų1180.2 Ų80.26%0.05840%0.401CS..Hα-helixtrans-60.1-48.6178.5-73.3163000111.5C123 L126 I151 N152 E157 S158 D159 V166C123-L155 HydrophobicContact CB-CD1 4.49Å; C123-L155 WeakPolarHBondContact SG-CD1 3.3Å; L126-L155 HydrophobicContact CD1-CD1 4.44Å; L126-L155 HydrophobicContact CD1-CD2 4.08Å; L126-L155 HydrophobicContact CD1-CG 4.1Å; I151-L155 HydrophobicContact CG2-CD1 3.7Å; I151-L155 HydrophobicContact CG2-CG 4.4Å; I151-L155 WeakPolarHBondContact O-CB 3.33Å; I151-L155 VanDerWaalsContact O-CG 3.32Å; I151-L155 WeakPolarHBondContact O-CG 3.45Å; I151-L155 PolarHBondContact O-N 3.38Å; N152-L155 PolarHBondContact O-N 3.02Å; L155-E157 PolarHBondContact O-N 2.72Å; L155-S158 PolarHBondContact O-N 2.91Å; L155-S158 VanDerWaalsContact O-N 3.11Å; L155-D159 WeakPolarHBondContact O-CA 3.39Å; L155-D159 WeakPolarHBondContact O-CB 3.42Å; L155-D159 PolarHBondContact O-N 3.11Å; L155-V166 HydrophobicContact CD2-CG2 3.58Å
156D80Confident77.7Confident118 Ų11873.6 Ų73.663%0.63137%0.37SS*.Hα-helixtrans-61.2-31.6179-171.8-109000113.1N152 N153N152-D156 WeakPolarHBondContact O-CB 3.36Å; N152-D156 PolarHBondContact O-N 3.38Å; N153-D156 PolarHBondContact O-N 2.97Å
157E75.4Confident78.3Confident128 Ų12871.4 Ų71.460%0.59836%0.362SS*.Hα-helixtrans-83-26175.7-72.5-171.677.600114.1N153 I154 L155N153-E157 WeakPolarHBondContact O-CB 3.38Å; N153-E157 WeakPolarHBondContact O-CG 3.09Å; N153-E157 PolarHBondContact O-N 3.28Å; I154-E157 PolarHBondContact O-N 3.33Å; L155-E157 PolarHBondContact O-N 2.72Å
158S74Confident78.8Confident4 Ų472.8 Ų72.83%0.02837%0.369CS..Hα-helixtrans-103-39-169.3-570000113.8I154 L155 I160 V174I154-S158 WeakPolarHBondContact O-CA 3.29Å; I154-S158 WeakPolarHBondContact O-CB 3.23Å; I154-S158 PolarHBondContact O-N 2.84Å; I154-S158 PolarHBondContact O-OG 3.37Å; L155-S158 PolarHBondContact O-N 2.91Å; L155-S158 VanDerWaalsContact O-N 3.11Å; S158-I160 PolarHBondContact O-N 2.64Å; S158-V174 WeakPolarHBondContact OG-CG2 3.25Å
159D80.8Confident79.1Confident15 Ų1569.3 Ų69.38%0.0837%0.369CS..  trans-80.599.6-176.2-177.41.4000108.9L155 D161 K162 D163 G164L155-D159 WeakPolarHBondContact O-CA 3.39Å; L155-D159 WeakPolarHBondContact O-CB 3.42Å; L155-D159 PolarHBondContact O-N 3.11Å; D159-D161 PolarHBondContact OD1-N 3.03Å; D159-K162 VanDerWaalsContact CG-CA 3.44Å; D159-K162 WeakPolarHBondContact OD1-CA 3.41Å; D159-K162 PolarHBondContact OD1-N 3.42Å; D159-K162 VanDerWaalsContact OD2-C 3.31Å; D159-K162 WeakPolarHBondContact OD2-CA 3.28Å; D159-D163 PolarHBondContact OD1-N 3.38Å; D159-D163 VanDerWaalsContact OD1-N 3.16Å; D159-D163 PolarHBondContact OD2-N 3.46Å; D159-D163 VanDerWaalsContact OD2-N 3.11Å; D159-G164 WeakPolarHBondContact OD2-CA 3.45Å; D159-G164 PolarHBondContact OD2-N 2.91Å
160I79.3Confident79.4Confident120 Ų12064.1 Ų64.162%0.61535%0.345SS*.SBendtrans-80.5-35.1-176.1-58.2176000109.5S158 E170S158-I160 PolarHBondContact O-N 2.64Å; I160-E170 HydrophobicContact CG1-CG 4.45Å; I160-E170 PolarHBondContact N-OE1 3.41Å
161D82.3Confident79.6Confident133 Ų13360.7 Ų60.771%0.71133%0.327SS*.SBendtrans-84.2-14.6-178.5-157.1-113.9000113.1D159 D163D159-D161 PolarHBondContact OD1-N 3.03Å; D161-D163 VanDerWaalsContact C-N 3.32Å
162K78.5Confident79.7Confident159 Ų15963.2 Ų63.269%0.69134%0.339SS*.  trans61.238-175.8-58.2-165174.2-144.90112.9D159 G164D159-K162 VanDerWaalsContact CG-CA 3.44Å; D159-K162 WeakPolarHBondContact OD1-CA 3.41Å; D159-K162 PolarHBondContact OD1-N 3.42Å; D159-K162 VanDerWaalsContact OD2-C 3.31Å; D159-K162 WeakPolarHBondContact OD2-CA 3.28Å; K162-G164 VanDerWaalsContact C-N 3.33Å
163D81.9Confident79.6Confident93 Ų9362.3 Ų62.350%0.49733%0.331SS..SBendtrans-84.5-13.2178.2114.9-72.8000112.3D159 D161 T165D159-D163 PolarHBondContact OD1-N 3.38Å; D159-D163 VanDerWaalsContact OD1-N 3.16Å; D159-D163 PolarHBondContact OD2-N 3.46Å; D159-D163 VanDerWaalsContact OD2-N 3.11Å; D161-D163 VanDerWaalsContact C-N 3.32Å; D163-T165 VanDerWaalsContact CG-OG1 3.29Å; D163-T165 WeakPolarHBondContact OD1-CA 2.85Å; D163-T165 WeakPolarHBondContact OD1-CB 3.42Å; D163-T165 PolarHBondContact OD1-N 2.86Å; D163-T165 PolarHBondContact OD1-OG1 2.97Å; D163-T165 PolarHBondContact OD2-OG1 2.77Å
164G78.3Confident79.4Confident35 Ų3557.9 Ų57.936%0.36131%0.308SS..SBendtrans87.46.2-179.100000113.7D159 K162D159-G164 WeakPolarHBondContact OD2-CA 3.45Å; D159-G164 PolarHBondContact OD2-N 2.91Å; K162-G164 VanDerWaalsContact C-N 3.33Å
165T83.9Confident79.2Confident23 Ų2357.7 Ų57.714%0.14131%0.307CS..SBendtrans-125.7161.6173.9770000110.2L121 D122 D163L121-T165 WeakPolarHBondContact O-CA 3.45Å; D122-T165 HydrophobicContact CB-CG2 4.48Å; D163-T165 VanDerWaalsContact CG-OG1 3.29Å; D163-T165 WeakPolarHBondContact OD1-CA 2.85Å; D163-T165 WeakPolarHBondContact OD1-CB 3.42Å; D163-T165 PolarHBondContact OD1-N 2.86Å; D163-T165 PolarHBondContact OD1-OG1 2.97Å; D163-T165 PolarHBondContact OD2-OG1 2.77Å
166V84.2Confident78.8Confident4 Ų461.8 Ų61.82%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-110.6114.3173.1-174.70000108.4F110 L121 L155 E170 F171F110-V166 VanDerWaalsContact CE2-O 3.31Å; F110-V166 WeakPolarHBondContact CE2-O 3.49Å; F110-V166 WeakPolarHBondContact CZ-O 3.26Å; L121-V166 HydrophobicContact CB-CB 4.2Å; L121-V166 PolarHBondContact N-O 3.4Å; L121-V166 PolarHBondContact O-N 3.17Å; L155-V166 HydrophobicContact CD2-CG2 3.58Å; V166-E170 HydrophobicContact CG1-CB 3.69Å; V166-F171 HydrophobicContact CG1-CB 3.96Å
167N85.8Confident78.1Confident57 Ų5764.6 Ų64.631%0.30534%0.338SS..EExtended strand (participates in β ladder)trans-80.4168.3173.170.458.8000111.6S169 E170 F171N167-S169 PolarHBondContact O-N 3.21Å; N167-S169 WeakPolarHBondContact OD1-CA 3.33Å; N167-S169 VanDerWaalsContact OD1-CB 3.27Å; N167-S169 WeakPolarHBondContact OD1-CB 3.29Å; N167-S169 PolarHBondContact OD1-N 3.09Å; N167-E170 PolarHBondContact N-OE2 3.17Å; N167-E170 VanDerWaalsContact ND2-CD 3.25Å; N167-E170 PolarHBondContact ND2-OE2 3.26Å; N167-E170 PolarHBondContact O-N 3.12Å; N167-E170 VanDerWaalsContact O-N 3.11Å; N167-E170 PolarHBondContact OD1-N 3.4Å; N167-F171 WeakPolarHBondContact O-CB 3.22Å; N167-F171 PolarHBondContact O-N 2.88Å
168L81.3Confident77.3Confident45 Ų4560.5 Ų60.524%0.23632%0.323CS..Hα-helixtrans-56.5-35.1-178.6-174.9130.5000113.9H107 F110 Q172H107-L168 HydrophobicContact CB-CD1 4.22Å; H107-L168 WeakPolarHBondContact CD2-CD1 3.35Å; F110-L168 HydrophobicContact CB-CD1 4.19Å; F110-L168 HydrophobicContact CD1-CB 4.35Å; F110-L168 HydrophobicContact CD1-CD1 3.98Å; F110-L168 HydrophobicContact CD2-CB 4.48Å; F110-L168 HydrophobicContact CE1-CB 4.3Å; F110-L168 HydrophobicContact CE2-CB 4.41Å; F110-L168 HydrophobicContact CG-CB 4.43Å; F110-L168 HydrophobicContact CG-CD1 4.09Å; F110-L168 HydrophobicContact CZ-CB 4.32Å; L168-Q172 WeakPolarHBondContact O-CG 3.49Å; L168-Q172 PolarHBondContact O-N 3.04Å
169S82.1Confident76.4Confident86 Ų8664.3 Ų64.360%0.60135%0.348SS*.Hα-helixtrans-71.1-39.6179-57.20000111.5N167 H173N167-S169 PolarHBondContact O-N 3.21Å; N167-S169 WeakPolarHBondContact OD1-CA 3.33Å; N167-S169 VanDerWaalsContact OD1-CB 3.27Å; N167-S169 WeakPolarHBondContact OD1-CB 3.29Å; N167-S169 PolarHBondContact OD1-N 3.09Å; S169-H173 PolarHBondContact O-N 2.6Å
170E83.4Confident75.1Confident8 Ų869.9 Ų69.94%0.03738%0.378CS..Hα-helixtrans-66.9-43.9174.5-69.8171138.400110.8I160 V166 N167 Q172 H173 V174I160-E170 HydrophobicContact CG1-CG 4.45Å; I160-E170 PolarHBondContact N-OE1 3.41Å; V166-E170 HydrophobicContact CG1-CB 3.69Å; N167-E170 PolarHBondContact N-OE2 3.17Å; N167-E170 VanDerWaalsContact ND2-CD 3.25Å; N167-E170 PolarHBondContact ND2-OE2 3.26Å; N167-E170 PolarHBondContact O-N 3.12Å; N167-E170 VanDerWaalsContact O-N 3.11Å; N167-E170 PolarHBondContact OD1-N 3.4Å; E170-Q172 VanDerWaalsContact C-N 3.33Å; E170-Q172 PolarHBondContact O-N 2.88Å; E170-H173 WeakPolarHBondContact O-CA 3.48Å; E170-H173 VanDerWaalsContact O-CB 3.28Å; E170-H173 WeakPolarHBondContact O-CB 3.35Å; E170-H173 PolarHBondContact O-N 2.83Å; E170-V174 WeakPolarHBondContact O-CG2 3.49Å; E170-V174 PolarHBondContact O-N 3.24Å
171F78.2Confident74Confident7 Ų765.5 Ų65.53%0.03136%0.355CS..Hα-helixtrans-58.8-43.3176.3-173.4-107.4000112.4A109 F110 F113 L121 V166 N167 H173 V174 I175 F181A109-F171 HydrophobicContact CB-CE1 4.32Å; F110-F171 HydrophobicContact CB-CD1 3.95Å; F110-F171 HydrophobicContact CB-CE1 4.08Å; F110-F171 HydrophobicContact CD2-CB 3.62Å; F110-F171 AromaticContact CD2-CD1 3.76Å; F110-F171 HydrophobicContact CD2-CD1 3.76Å; F110-F171 HydrophobicContact CD2-CD2 4.22Å; F110-F171 HydrophobicContact CD2-CE1 4.43Å; F110-F171 AromaticContact CD2-CG 3.62Å; F110-F171 HydrophobicContact CD2-CG 3.62Å; F110-F171 HydrophobicContact CE2-CB 3.93Å; F110-F171 HydrophobicContact CE2-CG 4.32Å; F110-F171 HydrophobicContact CG-CD1 4.36Å; F113-F171 HydrophobicContact CD2-CE2 4.18Å; F113-F171 AromaticContact CD2-CZ 3.68Å; F113-F171 HydrophobicContact CD2-CZ 3.68Å; F113-F171 AromaticContact CE2-CZ 3.81Å; F113-F171 HydrophobicContact CE2-CZ 3.81Å; L121-F171 HydrophobicContact CD1-CD2 3.71Å; L121-F171 HydrophobicContact CD1-CE2 3.94Å; L121-F171 HydrophobicContact CD1-CG 4.39Å; V166-F171 HydrophobicContact CG1-CB 3.96Å; N167-F171 WeakPolarHBondContact O-CB 3.22Å; N167-F171 PolarHBondContact O-N 2.88Å; F171-H173 VanDerWaalsContact C-N 3.33Å; F171-H173 PolarHBondContact O-N 2.77Å; F171-V174 PolarHBondContact O-N 3.44Å; F171-I175 HydrophobicContact CD1-CD1 3.66Å; F171-I175 HydrophobicContact CD1-CG1 4.42Å; F171-I175 HydrophobicContact CE1-CD1 3.16Å; F171-I175 HydrophobicContact CE1-CG1 4.17Å; F171-I175 HydrophobicContact CE2-CD1 4.35Å; F171-I175 HydrophobicContact CG-CD1 4.44Å; F171-I175 HydrophobicContact CZ-CD1 3.55Å; F171-I175 HydrophobicContact CZ-CG1 4.26Å; F171-I175 WeakPolarHBondContact O-CB 3.38Å; F171-I175 WeakPolarHBondContact O-CG1 3.37Å; F171-I175 PolarHBondContact O-N 3.31Å; F171-F181 HydrophobicContact CE2-CE1 4.14Å
172Q77.2Confident72.5Confident57 Ų5761.6 Ų61.627%0.26634%0.335SS..Hα-helixtrans-62.5-39.5172.8-75.8-176.4-1.200112.2L168 E170 V174 S176L168-Q172 WeakPolarHBondContact O-CG 3.49Å; L168-Q172 PolarHBondContact O-N 3.04Å; E170-Q172 VanDerWaalsContact C-N 3.33Å; E170-Q172 PolarHBondContact O-N 2.88Å; Q172-V174 VanDerWaalsContact C-N 3.32Å; Q172-V174 PolarHBondContact O-N 3.04Å; Q172-S176 WeakPolarHBondContact O-CB 3.47Å; Q172-S176 PolarHBondContact O-N 3Å
173H77.2Confident71Confident79 Ų7957.2 Ų57.237%0.36633%0.325SS..Hα-helixtrans-61.5-42.3176.2-16777.6000111.6S169 E170 F171 S176 R177S169-H173 PolarHBondContact O-N 2.6Å; E170-H173 WeakPolarHBondContact O-CA 3.48Å; E170-H173 VanDerWaalsContact O-CB 3.28Å; E170-H173 WeakPolarHBondContact O-CB 3.35Å; E170-H173 PolarHBondContact O-N 2.83Å; F171-H173 VanDerWaalsContact C-N 3.33Å; F171-H173 PolarHBondContact O-N 2.77Å; H173-S176 PolarHBondContact O-N 2.92Å; H173-R177 PolarHBondContact NE2-NE 2.89Å; H173-R177 WeakPolarHBondContact O-CB 3.5Å; H173-R177 PolarHBondContact O-N 3.04Å
174V72.4Confident69.3Low11 Ų1157 Ų577%0.06733%0.33CS..Hα-helixtrans-66.9-47.9179.4175.90000111.5S158 E170 F171 Q172 S176 R177 S178 F181S158-V174 WeakPolarHBondContact OG-CG2 3.25Å; E170-V174 WeakPolarHBondContact O-CG2 3.49Å; E170-V174 PolarHBondContact O-N 3.24Å; F171-V174 PolarHBondContact O-N 3.44Å; Q172-V174 VanDerWaalsContact C-N 3.32Å; Q172-V174 PolarHBondContact O-N 3.04Å; V174-S176 PolarHBondContact O-N 3.12Å; V174-R177 PolarHBondContact O-N 3.37Å; V174-S178 WeakPolarHBondContact O-CB 3.44Å; V174-S178 PolarHBondContact O-N 3.01Å; V174-F181 HydrophobicContact CG1-CD1 4.21Å; V174-F181 HydrophobicContact CG1-CE1 4.43Å; V174-F181 HydrophobicContact CG1-CG 4.3Å
175I70.2Confident67.9Low19 Ų1956.8 Ų56.810%0.09732%0.32CS..Hα-helixtrans-57.3-39.6175-76.8-177.2000111L102 F171 V182L102-I175 HydrophobicContact CD1-CG2 4.45Å; F171-I175 HydrophobicContact CD1-CD1 3.66Å; F171-I175 HydrophobicContact CD1-CG1 4.42Å; F171-I175 HydrophobicContact CE1-CD1 3.16Å; F171-I175 HydrophobicContact CE1-CG1 4.17Å; F171-I175 HydrophobicContact CE2-CD1 4.35Å; F171-I175 HydrophobicContact CG-CD1 4.44Å; F171-I175 HydrophobicContact CZ-CD1 3.55Å; F171-I175 HydrophobicContact CZ-CG1 4.26Å; F171-I175 WeakPolarHBondContact O-CB 3.38Å; F171-I175 WeakPolarHBondContact O-CG1 3.37Å; F171-I175 PolarHBondContact O-N 3.31Å; I175-V182 HydrophobicContact CB-CG2 4.07Å; I175-V182 HydrophobicContact CG1-CG2 4.22Å; I175-V182 HydrophobicContact CG2-CG2 3.58Å; I175-V182 WeakPolarHBondContact O-CG2 3.12Å
176S68.5Low66.1Low97 Ų9762.4 Ų62.468%0.67834%0.342SS*.Hα-helixtrans-73.5-34.2179.7-173.30000113Q172 H173 V174Q172-S176 WeakPolarHBondContact O-CB 3.47Å; Q172-S176 PolarHBondContact O-N 3Å; H173-S176 PolarHBondContact O-N 2.92Å; V174-S176 PolarHBondContact O-N 3.12Å
177R65.1Low64.2Low176 Ų17663.3 Ų63.366%0.66435%0.346SS*.Hα-helixtrans-83.4-33.4-179.2-89.5-115.6-119.8140.11.9114.2H173 V174 P179H173-R177 PolarHBondContact NE2-NE 2.89Å; H173-R177 WeakPolarHBondContact O-CB 3.5Å; H173-R177 PolarHBondContact O-N 3.04Å; V174-R177 PolarHBondContact O-N 3.37Å; R177-P179 VanDerWaalsContact O-CD 3.3Å; R177-P179 WeakPolarHBondContact O-CD 3.43Å
178S58.8Low61.8Low42 Ų4266 Ų6629%0.29437%0.365SS..  trans-121.281.9-171.7-65.20000109.8V174 D180 F181 V182V174-S178 WeakPolarHBondContact O-CB 3.44Å; V174-S178 PolarHBondContact O-N 3.01Å; S178-D180 PolarHBondContact O-N 3.22Å; S178-F181 WeakPolarHBondContact O-CA 3.49Å; S178-F181 WeakPolarHBondContact O-CB 3.42Å; S178-F181 PolarHBondContact O-N 3.27Å; S178-V182 PolarHBondContact O-N 3.34Å
179P55.8Low59.5Low85 Ų8571 Ų7155%0.55239%0.391SS*.Hα-helixtrans-61.7-22.1175.325.4-33.5000112.5R177 F181 V182 S183R177-P179 VanDerWaalsContact O-CD 3.3Å; R177-P179 WeakPolarHBondContact O-CD 3.43Å; P179-F181 VanDerWaalsContact C-N 3.32Å; P179-V182 CarbonylContact O-C 3.59Å; P179-V182 PolarHBondContact O-N 2.89Å; P179-S183 WeakPolarHBondContact O-CB 3.29Å; P179-S183 PolarHBondContact O-N 3.36Å
180D53.1Low58.3Low132 Ų13270.2 Ų70.271%0.70638%0.38SS*.Hα-helixtrans-64.5-34.9169.8-69.1-84.5000112.5S178 S183 S184S178-D180 PolarHBondContact O-N 3.22Å; D180-S183 PolarHBondContact O-N 3.1Å; D180-S184 WeakPolarHBondContact O-CB 3.34Å; D180-S184 PolarHBondContact O-N 3.12Å
181F55.2Low57Low28 Ų2873.5 Ų73.512%0.12340%0.398CS..Hα-helixtrans-63.3-49.8171.7-159-99.8000109.1I154 F171 V174 S178 P179 S183 S184 F185I154-F181 HydrophobicContact CD1-CE2 3.66Å; I154-F181 HydrophobicContact CD1-CZ 4.41Å; I154-F181 HydrophobicContact CG1-CE2 3.87Å; I154-F181 HydrophobicContact CG2-CE2 4.02Å; I154-F181 HydrophobicContact CG2-CZ 4.22Å; F171-F181 HydrophobicContact CE2-CE1 4.14Å; V174-F181 HydrophobicContact CG1-CD1 4.21Å; V174-F181 HydrophobicContact CG1-CE1 4.43Å; V174-F181 HydrophobicContact CG1-CG 4.3Å; S178-F181 WeakPolarHBondContact O-CA 3.49Å; S178-F181 WeakPolarHBondContact O-CB 3.42Å; S178-F181 PolarHBondContact O-N 3.27Å; P179-F181 VanDerWaalsContact C-N 3.32Å; F181-S183 VanDerWaalsContact C-N 3.27Å; F181-S183 PolarHBondContact O-N 3.24Å; F181-S184 PolarHBondContact O-N 3.22Å; F181-F185 AromaticContact CD1-CD2 3.79Å; F181-F185 HydrophobicContact CD1-CD2 3.79Å; F181-F185 AromaticContact CD1-CE2 3.76Å; F181-F185 HydrophobicContact CD1-CE2 3.76Å; F181-F185 HydrophobicContact CD1-CG 4.31Å; F181-F185 HydrophobicContact CD1-CZ 4.25Å; F181-F185 HydrophobicContact CD2-CD2 4.21Å; F181-F185 AromaticContact CD2-CE2 3.69Å; F181-F185 HydrophobicContact CD2-CE2 3.69Å; F181-F185 HydrophobicContact CD2-CZ 4.47Å; F181-F185 HydrophobicContact CE1-CD1 4.32Å; F181-F185 AromaticContact CE1-CD2 3.84Å; F181-F185 HydrophobicContact CE1-CD2 3.84Å; F181-F185 AromaticContact CE1-CE1 3.89Å; F181-F185 HydrophobicContact CE1-CE1 3.89Å; F181-F185 AromaticContact CE1-CE2 3.42Å; F181-F185 HydrophobicContact CE1-CE2 3.42Å; F181-F185 VanDerWaalsContact CE1-CE2 3.42Å; F181-F185 HydrophobicContact CE1-CG 4.26Å; F181-F185 AromaticContact CE1-CZ 3.45Å; F181-F185 HydrophobicContact CE1-CZ 3.45Å; F181-F185 VanDerWaalsContact CE1-CZ 3.45Å; F181-F185 HydrophobicContact CE2-CD2 4.25Å; F181-F185 AromaticContact CE2-CE2 3.34Å; F181-F185 HydrophobicContact CE2-CE2 3.34Å; F181-F185 AromaticContact CE2-CZ 3.72Å; F181-F185 HydrophobicContact CE2-CZ 3.72Å; F181-F185 AromaticContact CG-CD2 3.99Å; F181-F185 HydrophobicContact CG-CD2 3.99Å; F181-F185 AromaticContact CG-CE2 3.9Å; F181-F185 HydrophobicContact CG-CE2 3.9Å; F181-F185 HydrophobicContact CZ-CD2 4.09Å; F181-F185 AromaticContact CZ-CE1 4Å; F181-F185 HydrophobicContact CZ-CE1 4Å; F181-F185 AromaticContact CZ-CE2 3.21Å; F181-F185 HydrophobicContact CZ-CE2 3.21Å; F181-F185 AromaticContact CZ-CZ 3.15Å; F181-F185 HydrophobicContact CZ-CZ 3.15Å; F181-F185 WeakPolarHBondContact O-CB 3.3Å; F181-F185 WeakPolarHBondContact O-CD2 3.46Å; F181-F185 PolarHBondContact O-N 2.72Å
182V52Low55.9Low50 Ų5077.2 Ų77.230%0.30342%0.419SS..Hα-helixtrans-59.9-37.1175-172.80000112I175 S178 P179 F185 K186I175-V182 HydrophobicContact CB-CG2 4.07Å; I175-V182 HydrophobicContact CG1-CG2 4.22Å; I175-V182 HydrophobicContact CG2-CG2 3.58Å; I175-V182 WeakPolarHBondContact O-CG2 3.12Å; S178-V182 PolarHBondContact O-N 3.34Å; P179-V182 CarbonylContact O-C 3.59Å; P179-V182 PolarHBondContact O-N 2.89Å; V182-F185 CarbonylContact O-C 3.3Å; V182-F185 VanDerWaalsContact O-C 3.3Å; V182-K186 WeakPolarHBondContact O-CG 3.4Å; V182-K186 PolarHBondContact O-N 3.41Å
183S46Very low54.6Low67 Ų6778.4 Ų78.447%0.46943%0.428SS..Hα-helixtrans-78-26-178.3-162.70000113.9P179 D180 F181 K186P179-S183 WeakPolarHBondContact O-CB 3.29Å; P179-S183 PolarHBondContact O-N 3.36Å; D180-S183 PolarHBondContact O-N 3.1Å; F181-S183 VanDerWaalsContact C-N 3.27Å; F181-S183 PolarHBondContact O-N 3.24Å; S183-K186 WeakPolarHBondContact O-CB 3.22Å
184S47.5Very low53.2Low88 Ų8878.3 Ų78.362%0.61543%0.432SS*.Hα-helixtrans-83.7-28.6170.8-164.40000111.7D180 F181 K186D180-S184 WeakPolarHBondContact O-CB 3.34Å; D180-S184 PolarHBondContact O-N 3.12Å; F181-S184 PolarHBondContact O-N 3.22Å; S184-K186 VanDerWaalsContact C-N 3.29Å
185F49.1Very low51.9Low32 Ų3282.8 Ų82.814%0.1446%0.456CS..SBendtrans-88.86.7170.4-74.9-112.8000112.9F113 L129 L133 F181 V182 I187F113-F185 HydrophobicContact CE1-CD1 4.48Å; F113-F185 AromaticContact CE2-CD1 3.78Å; F113-F185 HydrophobicContact CE2-CD1 3.78Å; F113-F185 HydrophobicContact CE2-CE1 4.13Å; F113-F185 AromaticContact CZ-CD1 3.67Å; F113-F185 HydrophobicContact CZ-CD1 3.67Å; F113-F185 HydrophobicContact CZ-CE1 4.22Å; L129-F185 HydrophobicContact CD1-CE1 3.72Å; L129-F185 HydrophobicContact CD2-CD1 4.17Å; L129-F185 HydrophobicContact CD2-CE1 3.2Å; L129-F185 HydrophobicContact CD2-CZ 3.44Å; L129-F185 VanDerWaalsContact CD2-CZ 3.44Å; L129-F185 HydrophobicContact CG-CE1 4.06Å; L133-F185 HydrophobicContact CD1-CD1 4.37Å; L133-F185 HydrophobicContact CD1-CE1 4.36Å; F181-F185 AromaticContact CD1-CD2 3.79Å; F181-F185 HydrophobicContact CD1-CD2 3.79Å; F181-F185 AromaticContact CD1-CE2 3.76Å; F181-F185 HydrophobicContact CD1-CE2 3.76Å; F181-F185 HydrophobicContact CD1-CG 4.31Å; F181-F185 HydrophobicContact CD1-CZ 4.25Å; F181-F185 HydrophobicContact CD2-CD2 4.21Å; F181-F185 AromaticContact CD2-CE2 3.69Å; F181-F185 HydrophobicContact CD2-CE2 3.69Å; F181-F185 HydrophobicContact CD2-CZ 4.47Å; F181-F185 HydrophobicContact CE1-CD1 4.32Å; F181-F185 AromaticContact CE1-CD2 3.84Å; F181-F185 HydrophobicContact CE1-CD2 3.84Å; F181-F185 AromaticContact CE1-CE1 3.89Å; F181-F185 HydrophobicContact CE1-CE1 3.89Å; F181-F185 AromaticContact CE1-CE2 3.42Å; F181-F185 HydrophobicContact CE1-CE2 3.42Å; F181-F185 VanDerWaalsContact CE1-CE2 3.42Å; F181-F185 HydrophobicContact CE1-CG 4.26Å; F181-F185 AromaticContact CE1-CZ 3.45Å; F181-F185 HydrophobicContact CE1-CZ 3.45Å; F181-F185 VanDerWaalsContact CE1-CZ 3.45Å; F181-F185 HydrophobicContact CE2-CD2 4.25Å; F181-F185 AromaticContact CE2-CE2 3.34Å; F181-F185 HydrophobicContact CE2-CE2 3.34Å; F181-F185 AromaticContact CE2-CZ 3.72Å; F181-F185 HydrophobicContact CE2-CZ 3.72Å; F181-F185 AromaticContact CG-CD2 3.99Å; F181-F185 HydrophobicContact CG-CD2 3.99Å; F181-F185 AromaticContact CG-CE2 3.9Å; F181-F185 HydrophobicContact CG-CE2 3.9Å; F181-F185 HydrophobicContact CZ-CD2 4.09Å; F181-F185 AromaticContact CZ-CE1 4Å; F181-F185 HydrophobicContact CZ-CE1 4Å; F181-F185 AromaticContact CZ-CE2 3.21Å; F181-F185 HydrophobicContact CZ-CE2 3.21Å; F181-F185 AromaticContact CZ-CZ 3.15Å; F181-F185 HydrophobicContact CZ-CZ 3.15Å; F181-F185 WeakPolarHBondContact O-CB 3.3Å; F181-F185 WeakPolarHBondContact O-CD2 3.46Å; F181-F185 PolarHBondContact O-N 2.72Å; V182-F185 CarbonylContact O-C 3.3Å; V182-F185 VanDerWaalsContact O-C 3.3Å; F185-I187 PolarHBondContact O-N 3.26Å
186K44.6Very low50.6Low141 Ų14187.4 Ų87.461%0.61348%0.481SS*.  trans-67.363.1151.4-77.3177.4-177178.70107.4V182 S183 S184 V188V182-K186 WeakPolarHBondContact O-CG 3.4Å; V182-K186 PolarHBondContact O-N 3.41Å; S183-K186 WeakPolarHBondContact O-CB 3.22Å; S184-K186 VanDerWaalsContact C-N 3.29Å; K186-V188 PolarHBondContact O-N 3.33Å; K186-V188 VanDerWaalsContact O-N 3.15Å
187I44.5Very low49.2Very low22 Ų2286.6 Ų86.611%0.11347%0.466CS..  trans-37.3120.3130.6-66.6153.2000104.4N64 F66 F113 L133 F185 L189N64-I187 WeakPolarHBondContact OD1-CG2 3.42Å; F66-I187 HydrophobicContact CD2-CD1 3.19Å; F66-I187 HydrophobicContact CD2-CG1 3.71Å; F66-I187 HydrophobicContact CD2-CG2 4.32Å; F66-I187 HydrophobicContact CE2-CD1 3.24Å; F66-I187 HydrophobicContact CE2-CG1 3.63Å; F66-I187 HydrophobicContact CG-CD1 4.12Å; F66-I187 HydrophobicContact CZ-CD1 4.17Å; F113-I187 HydrophobicContact CE1-CD1 4Å; F113-I187 HydrophobicContact CZ-CD1 4.09Å; L133-I187 HydrophobicContact CD2-CD1 3.98Å; L133-I187 HydrophobicContact CD2-CG1 3.43Å; L133-I187 VanDerWaalsContact CD2-CG1 3.43Å; F185-I187 PolarHBondContact O-N 3.26Å; I187-L189 WeakPolarHBondContact O-CD1 3.49Å; I187-L189 PolarHBondContact O-N 3.22Å
188V35.8Very low47.9Very low113 Ų11379.2 Ų79.269%0.68545%0.45SS*.  trans-58.587.3-175.2-174.90000108N64 K186N64-V188 PolarHBondContact ND2-O 3.19Å; N64-V188 PolarHBondContact OD1-O 3.31Å; K186-V188 PolarHBondContact O-N 3.33Å; K186-V188 VanDerWaalsContact O-N 3.15Å
189L32.3Very low46.9Very low150 Ų15082.5 Ų82.579%0.78546%0.464SS*.  trans-70.80152.6-84.295.4000107.1F96 I187F96-L189 HydrophobicContact CD1-CD2 3.44Å; F96-L189 VanDerWaalsContact CD1-CD2 3.44Å; F96-L189 HydrophobicContact CD1-CG 3.88Å; F96-L189 HydrophobicContact CE1-CD2 3.91Å; F96-L189 HydrophobicContact CE1-CG 4.08Å; I187-L189 WeakPolarHBondContact O-CD1 3.49Å; I187-L189 PolarHBondContact O-N 3.22Å

Retrieved 189 of 189 residues in 238.9 ms (Link to these results)

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