A0A077ZEW8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZEW8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 166 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
1M33.6Very low59.7Low242 Ų242115.3 Ų115.3100%1.19263%0.632SS**  0113.70-94.5165.615900108.3
2C40.3Very low61.3Low95 Ų95110.7 Ų110.764%0.64260%0.601SS**  trans-71124.8-178.3-620000109.7I4 A5C2-I4 PolarHBondContact O-N 3.15Å; C2-A5 PolarHBondContact O-N 3.13Å; C2-A5 VanDerWaalsContact O-N 3.15Å
3P48.2Very low62.8Low93 Ų93108.6 Ų108.660%0.60459%0.589SS**G310 helixtrans-57.7-14.6179.9-24.132.4000114.6A5 Y29P3-A5 PolarHBondContact O-N 3.31Å; P3-Y29 HydrophobicContact CB-CE2 4.34Å
4I51.8Low64.2Low49 Ų49105.5 Ų105.525%0.25157%0.571SS.*G310 helixtrans-70.6-21.2-178.8-45.8167.9000111.5C2 Y6 V7 F12C2-I4 PolarHBondContact O-N 3.15Å; I4-Y6 PolarHBondContact O-N 3.18Å; I4-Y6 VanDerWaalsContact O-N 3.16Å; I4-V7 HydrophobicContact CG2-CG2 4.38Å; I4-V7 VanDerWaalsContact O-CB 3.29Å; I4-V7 WeakPolarHBondContact O-CB 3.47Å; I4-V7 WeakPolarHBondContact O-CG2 3.49Å; I4-V7 PolarHBondContact O-N 2.98Å; I4-F12 HydrophobicContact CG2-CD2 3.64Å; I4-F12 HydrophobicContact CG2-CE2 3.75Å
5A52Low65.3Low97 Ų9799 Ų9980%0.80254%0.536SS*.G310 helixtrans-65.7-18.4-178.200000114.2C2 P3C2-A5 PolarHBondContact O-N 3.13Å; C2-A5 VanDerWaalsContact O-N 3.15Å; P3-A5 PolarHBondContact O-N 3.31Å
6Y62.1Low66.4Low225 Ų225101.4 Ų101.488%0.88254%0.535SS*.G310 helixtrans-89.3-1.5175.4-168.1-101.8000113.1I4I4-Y6 PolarHBondContact O-N 3.18Å; I4-Y6 VanDerWaalsContact O-N 3.16Å
7V66.2Low67.3Low50 Ų5099.2 Ų99.230%0.30354%0.535SS..SBendtrans-81.1127.9-179.6-178.70000108.9I4 T11 F12I4-V7 HydrophobicContact CG2-CG2 4.38Å; I4-V7 VanDerWaalsContact O-CB 3.29Å; I4-V7 WeakPolarHBondContact O-CB 3.47Å; I4-V7 WeakPolarHBondContact O-CG2 3.49Å; I4-V7 PolarHBondContact O-N 2.98Å; V7-T11 VanDerWaalsContact CG1-CB 3.41Å; V7-T11 HydrophobicContact CG1-CG2 3.45Å; V7-T11 VanDerWaalsContact CG1-CG2 3.45Å; V7-F12 HydrophobicContact CG1-CB 4.48Å
8G71.9Confident68.1Low47 Ų4796.8 Ų96.849%0.48552%0.521SS..  trans-58.9150.1176.200000112.2Q10 T11 F12G8-Q10 VanDerWaalsContact C-N 3.3Å; G8-Q10 PolarHBondContact O-N 3.16Å; G8-T11 PolarHBondContact O-N 3.39Å; G8-F12 PolarHBondContact O-N 3.15Å
9E76.4Confident68.9Low161 Ų16191.9 Ų91.975%0.75250%0.495SS*.Hα-helixtrans-47.2-49-174.7-173.4177.2-170.200112.8T11 F12 D13E9-T11 VanDerWaalsContact C-N 3.33Å; E9-T11 PolarHBondContact O-N 3.41Å; E9-F12 WeakPolarHBondContact O-CB 3.42Å; E9-F12 PolarHBondContact O-N 3.25Å; E9-F12 VanDerWaalsContact O-N 3.13Å; E9-D13 PolarHBondContact O-N 3.02Å
10Q77.3Confident69.4Low169 Ų16994.4 Ų94.479%0.7950%0.504SS*.Hα-helixtrans-60.6-38.6179.9-64.2-178.9-4.900113.6G8 L14G8-Q10 VanDerWaalsContact C-N 3.3Å; G8-Q10 PolarHBondContact O-N 3.16Å; Q10-L14 WeakPolarHBondContact O-CB 3.47Å; Q10-L14 PolarHBondContact O-N 2.93Å; Q10-L14 VanDerWaalsContact O-N 3.12Å
11T77.6Confident69.5Low40 Ų4096.5 Ų96.525%0.24552%0.522CS..Hα-helixtrans-75-31.8179.8-56.50000110.8V7 G8 E9 L15 L36 F40V7-T11 VanDerWaalsContact CG1-CB 3.41Å; V7-T11 HydrophobicContact CG1-CG2 3.45Å; V7-T11 VanDerWaalsContact CG1-CG2 3.45Å; G8-T11 PolarHBondContact O-N 3.39Å; E9-T11 VanDerWaalsContact C-N 3.33Å; E9-T11 PolarHBondContact O-N 3.41Å; T11-L15 VanDerWaalsContact O-CB 3.3Å; T11-L15 WeakPolarHBondContact O-CB 3.21Å; T11-L15 PolarHBondContact O-N 2.92Å; T11-L36 HydrophobicContact CG2-CD1 4.04Å; T11-L36 HydrophobicContact CG2-CD2 3.91Å; T11-F40 HydrophobicContact CG2-CE2 3.88Å; T11-F40 HydrophobicContact CG2-CZ 3.91Å
12F78Confident71.6Confident60 Ų6091.4 Ų91.426%0.26349%0.494SS..Hα-helixtrans-68-44.1174.8-176.1-99.2000111.8I4 V7 G8 E9 L14 L15 R16 L24I4-F12 HydrophobicContact CG2-CD2 3.64Å; I4-F12 HydrophobicContact CG2-CE2 3.75Å; V7-F12 HydrophobicContact CG1-CB 4.48Å; G8-F12 PolarHBondContact O-N 3.15Å; E9-F12 WeakPolarHBondContact O-CB 3.42Å; E9-F12 PolarHBondContact O-N 3.25Å; E9-F12 VanDerWaalsContact O-N 3.13Å; F12-L14 VanDerWaalsContact C-N 3.34Å; F12-L14 PolarHBondContact O-N 3.38Å; F12-L15 PolarHBondContact O-N 2.94Å; F12-R16 WeakPolarHBondContact O-CB 3.49Å; F12-R16 PolarHBondContact O-N 3.29Å; F12-L24 HydrophobicContact CE2-CD1 3.88Å; F12-L24 HydrophobicContact CZ-CD1 3.95Å
13D81.4Confident73.3Confident84 Ų8490.4 Ų90.445%0.44948%0.484SS..Hα-helixtrans-62.5-42175.8-72.7-26.4000112E9 R16 A17E9-D13 PolarHBondContact O-N 3.02Å; D13-R16 PolarHBondContact O-N 3.27Å; D13-A17 PolarHBondContact O-N 3.46Å
14L81.7Confident74.3Confident65 Ų6587.4 Ų87.434%0.3446%0.463SS..Hα-helixtrans-62.3-44.2174.4-176.3130.1000111.4Q10 F12 R16 A17 L18 L36 F40Q10-L14 WeakPolarHBondContact O-CB 3.47Å; Q10-L14 PolarHBondContact O-N 2.93Å; Q10-L14 VanDerWaalsContact O-N 3.12Å; F12-L14 VanDerWaalsContact C-N 3.34Å; F12-L14 PolarHBondContact O-N 3.38Å; L14-R16 VanDerWaalsContact C-N 3.34Å; L14-R16 PolarHBondContact O-N 2.94Å; L14-A17 PolarHBondContact O-N 3.3Å; L14-L18 HydrophobicContact CD2-CD1 3.53Å; L14-L18 HydrophobicContact CD2-CG 4.43Å; L14-L18 HydrophobicContact CG-CD1 4.15Å; L14-L18 WeakPolarHBondContact O-CB 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.48Å; L14-L18 PolarHBondContact O-N 3.2Å; L14-L36 HydrophobicContact CD2-CD2 3.59Å; L14-F40 HydrophobicContact CD2-CE2 4.42Å; L14-F40 HydrophobicContact CD2-CZ 4.27Å
15L81.5Confident75.4Confident8 Ų893.9 Ų93.94%0.04249%0.492CS..Hα-helixtrans-62.9-40.8176.3-175147.7000111.6T11 F12 L18 V19 L24 L32 L36T11-L15 VanDerWaalsContact O-CB 3.3Å; T11-L15 WeakPolarHBondContact O-CB 3.21Å; T11-L15 PolarHBondContact O-N 2.92Å; F12-L15 PolarHBondContact O-N 2.94Å; L15-L18 PolarHBondContact O-N 3.19Å; L15-V19 HydrophobicContact CD2-CG2 4.43Å; L15-V19 WeakPolarHBondContact O-CG2 3.3Å; L15-V19 PolarHBondContact O-N 3.48Å; L15-L24 HydrophobicContact CD2-CD1 3.62Å; L15-L24 HydrophobicContact CD2-CD2 3.36Å; L15-L24 HydrophobicContact CD2-CG 4.07Å; L15-L32 HydrophobicContact CD1-CB 4.05Å; L15-L32 HydrophobicContact CD1-CD2 4.3Å; L15-L32 HydrophobicContact CD2-CD2 4.03Å; L15-L32 HydrophobicContact CG-CD2 4.24Å; L15-L36 HydrophobicContact CB-CD2 3.97Å; L15-L36 HydrophobicContact CB-CG 4.49Å; L15-L36 HydrophobicContact CD1-CD1 3.6Å; L15-L36 HydrophobicContact CD1-CD2 4.22Å; L15-L36 HydrophobicContact CD1-CG 3.83Å; L15-L36 HydrophobicContact CG-CD2 4.48Å; L15-L36 HydrophobicContact CG-CG 4.5Å
16R82.1Confident76.5Confident137 Ų13795.9 Ų95.952%0.51749%0.485SS..Hα-helixtrans-61.3-44.1175.2-174.1-178.8-104.3164.5-7.8111.1F12 D13 L14 V19 Q20F12-R16 WeakPolarHBondContact O-CB 3.49Å; F12-R16 PolarHBondContact O-N 3.29Å; D13-R16 PolarHBondContact O-N 3.27Å; L14-R16 VanDerWaalsContact C-N 3.34Å; L14-R16 PolarHBondContact O-N 2.94Å; R16-V19 PolarHBondContact O-N 3.45Å; R16-Q20 WeakPolarHBondContact O-CG 3.45Å
17A83.1Confident77Confident65 Ų6586.1 Ų86.154%0.53745%0.45SS..Hα-helixtrans-63.6-39.717600000112.6D13 L14 V19D13-A17 PolarHBondContact O-N 3.46Å; L14-A17 PolarHBondContact O-N 3.3Å; A17-V19 VanDerWaalsContact C-N 3.31Å; A17-V19 PolarHBondContact O-N 2.86Å
18L81.2Confident77.7Confident55 Ų5592 Ų9229%0.28847%0.471SS..Hα-helixtrans-72.5-17.8-178.8-70.2170.8000114.9L14 L15 R35 L36 S39L14-L18 HydrophobicContact CD2-CD1 3.53Å; L14-L18 HydrophobicContact CD2-CG 4.43Å; L14-L18 HydrophobicContact CG-CD1 4.15Å; L14-L18 WeakPolarHBondContact O-CB 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.48Å; L14-L18 PolarHBondContact O-N 3.2Å; L15-L18 PolarHBondContact O-N 3.19Å; L18-R35 PolarHBondContact O-NH1 3.12Å; L18-L36 HydrophobicContact CD1-CD2 4.44Å; L18-S39 WeakPolarHBondContact CD1-OG 3.22Å; L18-S39 WeakPolarHBondContact CD2-OG 3.47Å
19V82.9Confident77.9Confident4 Ų497 Ų972%0.02448%0.477CS..Hα-helixtrans-100.2-14.3-175.2179.30000112.6L15 R16 A17 K22 L24 C27 L32L15-V19 HydrophobicContact CD2-CG2 4.43Å; L15-V19 WeakPolarHBondContact O-CG2 3.3Å; L15-V19 PolarHBondContact O-N 3.48Å; R16-V19 PolarHBondContact O-N 3.45Å; A17-V19 VanDerWaalsContact C-N 3.31Å; A17-V19 PolarHBondContact O-N 2.86Å; V19-K22 HydrophobicContact CG1-CB 4.07Å; V19-K22 WeakPolarHBondContact CG1-O 3.4Å; V19-K22 WeakPolarHBondContact O-CB 3.45Å; V19-K22 PolarHBondContact O-N 3.06Å; V19-L24 HydrophobicContact CB-CD2 3.48Å; V19-L24 VanDerWaalsContact CB-CD2 3.48Å; V19-L24 HydrophobicContact CG1-CD2 3.64Å; V19-L24 HydrophobicContact CG2-CD2 3.6Å; V19-C27 WeakPolarHBondContact CG1-SG 3.39Å; V19-L32 HydrophobicContact CG2-CD2 3.58Å
20Q78.7Confident78.1Confident142 Ų14293.1 Ų93.166%0.66447%0.472SS*.THydrogen-bonded Turntrans-52.4139.8175.4-67.1-170.72.100111.8R16R16-Q20 WeakPolarHBondContact O-CG 3.45Å
21P72.4Confident78.2Confident138 Ų13888.4 Ų88.490%0.89645%0.452SS*.THydrogen-bonded Turncis-85.61.43.734.8-36.9000114.9
22K76.2Confident78.3Confident136 Ų13686.9 Ų86.959%0.59144%0.442SS*.SBendtrans-74.4152.8-176.1-63.1-176.8177.7-175.60111V19V19-K22 HydrophobicContact CG1-CB 4.07Å; V19-K22 WeakPolarHBondContact CG1-O 3.4Å; V19-K22 WeakPolarHBondContact O-CB 3.45Å; V19-K22 PolarHBondContact O-N 3.06Å
23T76.8Confident78.4Confident73 Ų7387.1 Ų87.145%0.44845%0.449SS..  trans-78.2142.2172.2-48.50000109.6E25 E26T23-E25 HydrophobicContact CG2-CB 4.17Å; T23-E25 HydrophobicContact CG2-CG 4.16Å; T23-E25 PolarHBondContact O-N 2.96Å; T23-E26 PolarHBondContact O-N 3.24Å; T23-E26 VanDerWaalsContact O-N 3.15Å
24L70Confident78.3Confident31 Ų3185 Ų8516%0.16245%0.446CS..G310 helixtrans-58-30.1178.4-61.2-172.9000112.8F12 L15 V19 E26 C27F12-L24 HydrophobicContact CE2-CD1 3.88Å; F12-L24 HydrophobicContact CZ-CD1 3.95Å; L15-L24 HydrophobicContact CD2-CD1 3.62Å; L15-L24 HydrophobicContact CD2-CD2 3.36Å; L15-L24 HydrophobicContact CD2-CG 4.07Å; V19-L24 HydrophobicContact CB-CD2 3.48Å; V19-L24 VanDerWaalsContact CB-CD2 3.48Å; V19-L24 HydrophobicContact CG1-CD2 3.64Å; V19-L24 HydrophobicContact CG2-CD2 3.6Å; L24-E26 VanDerWaalsContact C-N 3.28Å; L24-E26 PolarHBondContact O-N 3.17Å; L24-C27 PolarHBondContact O-N 2.94Å
25E74.5Confident78.2Confident184 Ų18486.5 Ų86.586%0.8645%0.447SS*.G310 helixtrans-66.3-27.7-179.5-60.5-175.8175.900113.2T23 C27T23-E25 HydrophobicContact CG2-CB 4.17Å; T23-E25 HydrophobicContact CG2-CG 4.16Å; T23-E25 PolarHBondContact O-N 2.96Å; E25-C27 VanDerWaalsContact C-N 3.33Å
26E75.7Confident78.2Confident140 Ų14087.4 Ų87.465%0.65445%0.452SS*.G310 helixtrans-83.3-13.2179.3-63.9169.9-160.300112.4T23 L24T23-E26 PolarHBondContact O-N 3.24Å; T23-E26 VanDerWaalsContact O-N 3.15Å; L24-E26 VanDerWaalsContact C-N 3.28Å; L24-E26 PolarHBondContact O-N 3.17Å
27C72.5Confident77.9Confident20 Ų2082.5 Ų82.514%0.13544%0.444CS..SBendtrans-91.4128.2-173.6-72.50000112.1V19 L24 E25 L32V19-C27 WeakPolarHBondContact CG1-SG 3.39Å; L24-C27 PolarHBondContact O-N 2.94Å; E25-C27 VanDerWaalsContact C-N 3.33Å; C27-L32 HydrophobicContact CB-CD1 4.44Å; C27-L32 HydrophobicContact CB-CD2 3.67Å; C27-L32 HydrophobicContact CB-CG 3.98Å
28K80.4Confident77.6Confident173 Ų17383.3 Ų83.375%0.75244%0.442SS*.  trans-61.8139.1170.9-65.1-177.6179.61800110.4A30 N31 L32K28-A30 PolarHBondContact O-N 2.91Å; K28-A30 VanDerWaalsContact O-N 3.15Å; K28-N31 WeakPolarHBondContact O-CB 3.15Å; K28-N31 PolarHBondContact O-N 3.15Å; K28-L32 PolarHBondContact O-N 3.17Å
29Y75.5Confident77.5Confident153 Ų15383 Ų8360%0.645%0.445SS*.Hα-helixtrans-50.1-41.7177.3178.6-103.4000113.1P3 N31 L32 V33P3-Y29 HydrophobicContact CB-CE2 4.34Å; Y29-N31 VanDerWaalsContact C-N 3.3Å; Y29-N31 PolarHBondContact O-N 2.78Å; Y29-L32 WeakPolarHBondContact O-CB 3.31Å; Y29-L32 PolarHBondContact O-N 2.92Å; Y29-L32 VanDerWaalsContact O-N 3.12Å; Y29-V33 HydrophobicContact CD1-CG2 4.06Å; Y29-V33 HydrophobicContact CD2-CG2 4.2Å; Y29-V33 HydrophobicContact CE1-CG2 3.59Å; Y29-V33 HydrophobicContact CE2-CG2 3.74Å; Y29-V33 HydrophobicContact CG-CG2 4.35Å; Y29-V33 VanDerWaalsContact CZ-CG2 3.41Å; Y29-V33 WeakPolarHBondContact O-CG2 3.45Å; Y29-V33 PolarHBondContact O-N 2.92Å
30A80.1Confident77.2Confident78 Ų7886 Ų8665%0.64546%0.458SS*.Hα-helixtrans-59.1-37.4177.100000113.4K28 G34K28-A30 PolarHBondContact O-N 2.91Å; K28-A30 VanDerWaalsContact O-N 3.15Å; A30-G34 PolarHBondContact O-N 3.46Å
31N80.4Confident77Confident71 Ų7183.8 Ų83.838%0.3846%0.457SS..Hα-helixtrans-72-37176.2-176.935.3000111.2K28 Y29 G34 R35K28-N31 WeakPolarHBondContact O-CB 3.15Å; K28-N31 PolarHBondContact O-N 3.15Å; Y29-N31 VanDerWaalsContact C-N 3.3Å; Y29-N31 PolarHBondContact O-N 2.78Å; N31-G34 PolarHBondContact O-N 3.37Å; N31-R35 WeakPolarHBondContact O-CB 3.4Å; N31-R35 VanDerWaalsContact O-CG 3.31Å; N31-R35 WeakPolarHBondContact O-CG 3.47Å; N31-R35 PolarHBondContact O-N 3.47Å; N31-R35 PolarHBondContact OD1-NE 3.32Å
32L78.7Confident77Confident7 Ų781 Ų814%0.03744%0.439CS..Hα-helixtrans-64-49.2176-65.1180000111.7L15 V19 C27 K28 Y29 G34 R35 L36L15-L32 HydrophobicContact CD1-CB 4.05Å; L15-L32 HydrophobicContact CD1-CD2 4.3Å; L15-L32 HydrophobicContact CD2-CD2 4.03Å; L15-L32 HydrophobicContact CG-CD2 4.24Å; V19-L32 HydrophobicContact CG2-CD2 3.58Å; C27-L32 HydrophobicContact CB-CD1 4.44Å; C27-L32 HydrophobicContact CB-CD2 3.67Å; C27-L32 HydrophobicContact CB-CG 3.98Å; K28-L32 PolarHBondContact O-N 3.17Å; Y29-L32 WeakPolarHBondContact O-CB 3.31Å; Y29-L32 PolarHBondContact O-N 2.92Å; Y29-L32 VanDerWaalsContact O-N 3.12Å; L32-G34 VanDerWaalsContact C-N 3.31Å; L32-G34 PolarHBondContact O-N 2.98Å; L32-R35 PolarHBondContact O-N 2.92Å; L32-L36 WeakPolarHBondContact O-CG 3.15Å; L32-L36 PolarHBondContact O-N 3.42Å
33V80.8Confident76.7Confident66 Ų6679.2 Ų79.240%0.444%0.441SS..Hα-helixtrans-63.6-38.9176.5177.40000110.9Y29 L36 G37Y29-V33 HydrophobicContact CD1-CG2 4.06Å; Y29-V33 HydrophobicContact CD2-CG2 4.2Å; Y29-V33 HydrophobicContact CE1-CG2 3.59Å; Y29-V33 HydrophobicContact CE2-CG2 3.74Å; Y29-V33 HydrophobicContact CG-CG2 4.35Å; Y29-V33 VanDerWaalsContact CZ-CG2 3.41Å; Y29-V33 WeakPolarHBondContact O-CG2 3.45Å; Y29-V33 PolarHBondContact O-N 2.92Å; V33-L36 PolarHBondContact O-N 2.85Å; V33-G37 PolarHBondContact O-N 3.43Å
34G79.3Confident76.3Confident38 Ų3880.9 Ų80.939%0.39245%0.453SS..Hα-helixtrans-63.4-41.3175.300000113.2A30 N31 L32 G37 T38A30-G34 PolarHBondContact O-N 3.46Å; N31-G34 PolarHBondContact O-N 3.37Å; L32-G34 VanDerWaalsContact C-N 3.31Å; L32-G34 PolarHBondContact O-N 2.98Å; G34-G37 PolarHBondContact O-N 2.8Å; G34-T38 WeakPolarHBondContact O-CB 3.35Å; G34-T38 PolarHBondContact O-N 2.94Å; G34-T38 PolarHBondContact O-OG1 3.04Å
35R79.1Confident76.5Confident98 Ų9883.6 Ų83.637%0.3747%0.468SS..Hα-helixtrans-66.2-46.9175.1-75177.5-179.7-118.4-6.7111.8L18 N31 L32 G37 T38 S39L18-R35 PolarHBondContact O-NH1 3.12Å; N31-R35 WeakPolarHBondContact O-CB 3.4Å; N31-R35 VanDerWaalsContact O-CG 3.31Å; N31-R35 WeakPolarHBondContact O-CG 3.47Å; N31-R35 PolarHBondContact O-N 3.47Å; N31-R35 PolarHBondContact OD1-NE 3.32Å; L32-R35 PolarHBondContact O-N 2.92Å; R35-G37 VanDerWaalsContact C-N 3.34Å; R35-G37 PolarHBondContact O-N 3.12Å; R35-T38 PolarHBondContact O-N 3.34Å; R35-S39 PolarHBondContact O-N 3.34Å; R35-S39 PolarHBondContact O-OG 2.97Å
36L81.3Confident76.4Confident26 Ų2678.8 Ų78.814%0.13645%0.446CS..Hα-helixtrans-57.8-47.5174-77.7-178.5000111.6T11 L14 L15 L18 L32 V33 T38 S39 F40T11-L36 HydrophobicContact CG2-CD1 4.04Å; T11-L36 HydrophobicContact CG2-CD2 3.91Å; L14-L36 HydrophobicContact CD2-CD2 3.59Å; L15-L36 HydrophobicContact CB-CD2 3.97Å; L15-L36 HydrophobicContact CB-CG 4.49Å; L15-L36 HydrophobicContact CD1-CD1 3.6Å; L15-L36 HydrophobicContact CD1-CD2 4.22Å; L15-L36 HydrophobicContact CD1-CG 3.83Å; L15-L36 HydrophobicContact CG-CD2 4.48Å; L15-L36 HydrophobicContact CG-CG 4.5Å; L18-L36 HydrophobicContact CD1-CD2 4.44Å; L32-L36 WeakPolarHBondContact O-CG 3.15Å; L32-L36 PolarHBondContact O-N 3.42Å; V33-L36 PolarHBondContact O-N 2.85Å; L36-T38 VanDerWaalsContact C-N 3.26Å; L36-T38 PolarHBondContact O-N 3.12Å; L36-S39 PolarHBondContact O-N 3.19Å; L36-S39 VanDerWaalsContact O-N 3.12Å; L36-F40 HydrophobicContact CB-CD2 4.31Å; L36-F40 HydrophobicContact CB-CE2 4.32Å; L36-F40 HydrophobicContact CD2-CE2 3.92Å; L36-F40 WeakPolarHBondContact O-CD2 3.46Å; L36-F40 PolarHBondContact O-N 2.76Å
37G76.8Confident76.5Confident35 Ų3578.3 Ų78.336%0.36145%0.446SS..Hα-helixtrans-57.6-40.4177.200000112V33 G34 R35 C41V33-G37 PolarHBondContact O-N 3.43Å; G34-G37 PolarHBondContact O-N 2.8Å; R35-G37 VanDerWaalsContact C-N 3.34Å; R35-G37 PolarHBondContact O-N 3.12Å; G37-C41 CarbonylContact O-C 3.58Å; G37-C41 WeakPolarHBondContact O-CA 3.49Å; G37-C41 VanDerWaalsContact O-CB 3.26Å; G37-C41 WeakPolarHBondContact O-CB 3.26Å; G37-C41 PolarHBondContact O-N 3.46Å
38T77.3Confident76.5Confident81 Ų8180.5 Ų80.550%0.49746%0.459SS..Hα-helixtrans-67.5-35.1177.1-54.40000112.4G34 R35 L36 C41 P42G34-T38 WeakPolarHBondContact O-CB 3.35Å; G34-T38 PolarHBondContact O-N 2.94Å; G34-T38 PolarHBondContact O-OG1 3.04Å; R35-T38 PolarHBondContact O-N 3.34Å; L36-T38 VanDerWaalsContact C-N 3.26Å; L36-T38 PolarHBondContact O-N 3.12Å; T38-C41 CarbonylContact O-C 3.58Å; T38-P42 WeakPolarHBondContact O-CA 3.29Å
39S79.1Confident76.1Confident50 Ų5073.7 Ų73.735%0.3543%0.43SS..Hα-helixtrans-77-38.7179-64.90000113.3L18 R35 L36L18-S39 WeakPolarHBondContact CD1-OG 3.22Å; L18-S39 WeakPolarHBondContact CD2-OG 3.47Å; R35-S39 PolarHBondContact O-N 3.34Å; R35-S39 PolarHBondContact O-OG 2.97Å; L36-S39 PolarHBondContact O-N 3.19Å; L36-S39 VanDerWaalsContact O-N 3.12Å
40F76.5Confident76Confident67 Ų6771 Ų7129%0.29442%0.419SS..Hα-helixtrans-79.5-34.3177.3-70.4-60.3000112.8T11 L14 L36 P42T11-F40 HydrophobicContact CG2-CE2 3.88Å; T11-F40 HydrophobicContact CG2-CZ 3.91Å; L14-F40 HydrophobicContact CD2-CE2 4.42Å; L14-F40 HydrophobicContact CD2-CZ 4.27Å; L36-F40 HydrophobicContact CB-CD2 4.31Å; L36-F40 HydrophobicContact CB-CE2 4.32Å; L36-F40 HydrophobicContact CD2-CE2 3.92Å; L36-F40 WeakPolarHBondContact O-CD2 3.46Å; L36-F40 PolarHBondContact O-N 2.76Å; F40-P42 VanDerWaalsContact O-CD 3.29Å; F40-P42 WeakPolarHBondContact O-CD 3.17Å
41C73.1Confident75.7Confident95 Ų9571.6 Ų71.664%0.64241%0.407SS*.SBendtrans-118.570.9175.9-63.20000108.6G37 T38G37-C41 CarbonylContact O-C 3.58Å; G37-C41 WeakPolarHBondContact O-CA 3.49Å; G37-C41 VanDerWaalsContact O-CB 3.26Å; G37-C41 WeakPolarHBondContact O-CB 3.26Å; G37-C41 PolarHBondContact O-N 3.46Å; T38-C41 CarbonylContact O-C 3.58Å
42P72.9Confident75.2Confident80 Ų8074.6 Ų74.652%0.51941%0.413SS..PPolyproline II helixtrans-57.2145.4176.625.3-33.7000109.7T38 F40T38-P42 WeakPolarHBondContact O-CA 3.29Å; F40-P42 VanDerWaalsContact O-CD 3.29Å; F40-P42 WeakPolarHBondContact O-CD 3.17Å
43P70.9Confident74.7Confident98 Ų9874.2 Ų74.264%0.63641%0.412SS*.PPolyproline II helixtrans-49.4138172.6-26.833.9000110.4N45P43-N45 PolarHBondContact O-N 3.29Å
44P68.3Low74.2Confident107 Ų10774.1 Ų74.170%0.69541%0.406SS*.PPolyproline II helixtrans-57.6117.2179.622.2-31.6000109.7E46 L49P44-E46 PolarHBondContact O-N 3.48Å; P44-L49 HydrophobicContact CB-CD2 3.94Å
45N73.2Confident73.9Confident89 Ų8974.4 Ų74.448%0.47640%0.402SS..PPolyproline II helixtrans-72.7117.3176.9-177.7-30.3000109.3P43 I47 V48 L49P43-N45 PolarHBondContact O-N 3.29Å; N45-I47 VanDerWaalsContact C-N 3.26Å; N45-I47 PolarHBondContact O-N 3.38Å; N45-I47 WeakPolarHBondContact OD1-CB 3.07Å; N45-I47 PolarHBondContact OD1-N 2.79Å; N45-V48 HydrophobicContact CB-CB 4.21Å; N45-V48 HydrophobicContact CB-CG2 4.03Å; N45-V48 PolarHBondContact O-N 2.91Å; N45-L49 WeakPolarHBondContact O-CB 3.42Å; N45-L49 PolarHBondContact O-N 2.99Å
46E73.4Confident73.5Confident83 Ų8371.6 Ų71.639%0.38839%0.392SS..Hα-helixtrans-54.2-40.6-179.7-172.4179.3179.500112.7P44 L49 R50P44-E46 PolarHBondContact O-N 3.48Å; E46-L49 PolarHBondContact O-N 3.06Å; E46-R50 HydrophobicContact CG-CG 4.18Å; E46-R50 WeakPolarHBondContact O-CB 3.07Å; E46-R50 WeakPolarHBondContact O-CG 3.22Å; E46-R50 PolarHBondContact O-N 3.2Å; E46-R50 IonicContact OE1-CZ 3.13Å; E46-R50 IonicContact OE1-NE 2.89Å; E46-R50 PolarHBondContact OE1-NE 2.73Å; E46-R50 IonicContact OE1-NH2 2.64Å; E46-R50 PolarHBondContact OE1-NH2 3.27Å
47I77Confident73Confident129 Ų12974.1 Ų74.166%0.66241%0.408SS*.Hα-helixtrans-67.5-50.5-177.8-60.1171.4000110.8N45 L49 R50 F51N45-I47 VanDerWaalsContact C-N 3.26Å; N45-I47 PolarHBondContact O-N 3.38Å; N45-I47 WeakPolarHBondContact OD1-CB 3.07Å; N45-I47 PolarHBondContact OD1-N 2.79Å; I47-L49 PolarHBondContact O-N 3.43Å; I47-R50 PolarHBondContact O-N 3.2Å; I47-F51 WeakPolarHBondContact O-CB 3.26Å; I47-F51 PolarHBondContact O-N 2.81Å
48V73.1Confident72.6Confident66 Ų6677.5 Ų77.540%0.441%0.41SS..Hα-helixtrans-58.6-38.1178.4174.30000110N45 R52N45-V48 HydrophobicContact CB-CB 4.21Å; N45-V48 HydrophobicContact CB-CG2 4.03Å; N45-V48 PolarHBondContact O-N 2.91Å; V48-R52 WeakPolarHBondContact O-CB 3.49Å; V48-R52 VanDerWaalsContact O-CG 3.26Å; V48-R52 WeakPolarHBondContact O-CG 3.1Å; V48-R52 PolarHBondContact O-N 3Å
49L70.9Confident72.1Confident31 Ų3177.4 Ų77.416%0.16241%0.406CS..Hα-helixtrans-75.9-52.1-174.2-167.254.4000109.9P44 N45 E46 I47 F51 R52 S53 W78P44-L49 HydrophobicContact CB-CD2 3.94Å; N45-L49 WeakPolarHBondContact O-CB 3.42Å; N45-L49 PolarHBondContact O-N 2.99Å; E46-L49 PolarHBondContact O-N 3.06Å; I47-L49 PolarHBondContact O-N 3.43Å; L49-F51 PolarHBondContact O-N 2.92Å; L49-R52 WeakPolarHBondContact O-CA 2.88Å; L49-R52 WeakPolarHBondContact O-CB 3.3Å; L49-R52 PolarHBondContact O-N 3.38Å; L49-S53 PolarHBondContact O-N 3.03Å; L49-W78 HydrophobicContact CB-CD2 4.41Å; L49-W78 HydrophobicContact CB-CH2 4.48Å; L49-W78 HydrophobicContact CB-CZ2 4.36Å; L49-W78 HydrophobicContact CD1-CD2 4.37Å; L49-W78 VanDerWaalsContact CD1-CE2 3.45Å; L49-W78 HydrophobicContact CD1-CH2 3.89Å; L49-W78 HydrophobicContact CD1-CZ2 3.18Å; L49-W78 HydrophobicContact CD2-CD2 3.94Å; L49-W78 HydrophobicContact CD2-CG 3.82Å; L49-W78 HydrophobicContact CD2-CZ2 4.25Å; L49-W78 HydrophobicContact CG-CD2 3.54Å; L49-W78 HydrophobicContact CG-CE3 4.03Å; L49-W78 HydrophobicContact CG-CG 3.99Å; L49-W78 HydrophobicContact CG-CH2 3.83Å; L49-W78 HydrophobicContact CG-CZ2 3.29Å; L49-W78 HydrophobicContact CG-CZ3 4.19Å; L49-W78 WeakPolarHBondContact O-CH2 3.47Å; L49-W78 WeakPolarHBondContact O-CZ3 3.39Å
50R73Confident71.6Confident95 Ų9583.8 Ų83.836%0.35843%0.43SS..Hα-helixtrans-40.7-56.2164.6-78.4-178.4-179.2-143.54.5109.6E46 I47 R52 S53 H54 W78 F80E46-R50 HydrophobicContact CG-CG 4.18Å; E46-R50 WeakPolarHBondContact O-CB 3.07Å; E46-R50 WeakPolarHBondContact O-CG 3.22Å; E46-R50 PolarHBondContact O-N 3.2Å; E46-R50 IonicContact OE1-CZ 3.13Å; E46-R50 IonicContact OE1-NE 2.89Å; E46-R50 PolarHBondContact OE1-NE 2.73Å; E46-R50 IonicContact OE1-NH2 2.64Å; E46-R50 PolarHBondContact OE1-NH2 3.27Å; I47-R50 PolarHBondContact O-N 3.2Å; R50-R52 VanDerWaalsContact C-N 3.35Å; R50-R52 PolarHBondContact O-N 3.09Å; R50-S53 PolarHBondContact O-N 3.44Å; R50-S53 VanDerWaalsContact O-N 3.11Å; R50-H54 PolarHBondContact O-N 3.32Å; R50-H54 PolarHBondContact O-ND1 3.46Å; R50-W78 VanDerWaalsContact CA-CZ3 3.41Å; R50-W78 HydrophobicContact CG-CE3 4.47Å; R50-W78 VanDerWaalsContact N-CZ3 3.31Å; R50-F80 HydrophobicContact CB-CZ 4.39Å; R50-F80 HydrophobicContact CG-CE1 3.78Å; R50-F80 HydrophobicContact CG-CZ 3.74Å
51F74Confident71.4Confident92 Ų9284.5 Ų84.540%0.40446%0.457SS..Hα-helixtrans-59.2-38.8180-178.7-92.1000113.9I47 L49 H54 S55 F135I47-F51 WeakPolarHBondContact O-CB 3.26Å; I47-F51 PolarHBondContact O-N 2.81Å; L49-F51 PolarHBondContact O-N 2.92Å; F51-H54 CarbonylContact O-C 3.4Å; F51-H54 PolarHBondContact O-N 3.03Å; F51-S55 WeakPolarHBondContact CE1-OG 3.33Å; F51-S55 WeakPolarHBondContact CZ-OG 3.09Å; F51-S55 VanDerWaalsContact O-CB 3.3Å; F51-S55 WeakPolarHBondContact O-CB 3.18Å; F51-S55 PolarHBondContact O-N 3.25Å; F51-S55 PolarHBondContact O-OG 3.47Å; F51-F135 HydrophobicContact CD1-CE2 4.34Å; F51-F135 AromaticContact CE1-CD2 3.89Å; F51-F135 HydrophobicContact CE1-CD2 3.89Å; F51-F135 HydrophobicContact CE1-CE1 4.26Å; F51-F135 AromaticContact CE1-CE2 3.02Å; F51-F135 HydrophobicContact CE1-CE2 3.02Å; F51-F135 AromaticContact CE1-CZ 3.24Å; F51-F135 HydrophobicContact CE1-CZ 3.24Å; F51-F135 HydrophobicContact CE2-CE2 4.48Å; F51-F135 HydrophobicContact CE2-CZ 4.18Å; F51-F135 HydrophobicContact CZ-CD2 4.34Å; F51-F135 HydrophobicContact CZ-CE1 4.24Å; F51-F135 AromaticContact CZ-CE2 3.13Å; F51-F135 HydrophobicContact CZ-CE2 3.13Å; F51-F135 AromaticContact CZ-CZ 3.04Å; F51-F135 HydrophobicContact CZ-CZ 3.04Å
52R71.2Confident71.3Confident133 Ų13382.2 Ų82.250%0.50244%0.436SS..Hα-helixtrans-63-41.1172.9-77.7170.5-179.6-1752112.5V48 L49 R50 S55 R56V48-R52 WeakPolarHBondContact O-CB 3.49Å; V48-R52 VanDerWaalsContact O-CG 3.26Å; V48-R52 WeakPolarHBondContact O-CG 3.1Å; V48-R52 PolarHBondContact O-N 3Å; L49-R52 WeakPolarHBondContact O-CA 2.88Å; L49-R52 WeakPolarHBondContact O-CB 3.3Å; L49-R52 PolarHBondContact O-N 3.38Å; R50-R52 VanDerWaalsContact C-N 3.35Å; R50-R52 PolarHBondContact O-N 3.09Å; R52-S55 PolarHBondContact O-N 2.99Å; R52-R56 WeakPolarHBondContact O-CG 3.38Å; R52-R56 PolarHBondContact O-N 2.83Å
53S68Low71.4Confident0 Ų081.8 Ų81.80%043%0.432CS..Hα-helixtrans-64.1-46.4173.2172.50000110L49 R50 S55 R56L49-S53 PolarHBondContact O-N 3.03Å; R50-S53 PolarHBondContact O-N 3.44Å; R50-S53 VanDerWaalsContact O-N 3.11Å; S53-S55 PolarHBondContact O-N 3.37Å; S53-R56 WeakPolarHBondContact O-CB 3.5Å; S53-R56 PolarHBondContact O-N 2.84Å
54H70.8Confident71.5Confident63 Ų6379.8 Ų79.829%0.29242%0.415SS..Hα-helixtrans-60.3-36.9178.7-74.177.6000111.3R50 F51 R56 R90R50-H54 PolarHBondContact O-N 3.32Å; R50-H54 PolarHBondContact O-ND1 3.46Å; F51-H54 CarbonylContact O-C 3.4Å; F51-H54 PolarHBondContact O-N 3.03Å; H54-R56 VanDerWaalsContact C-N 3.31Å; H54-R56 PolarHBondContact O-N 3.13Å; H54-R90 PolarHBondContact O-NE 2.83Å; H54-R90 PolarHBondContact O-NH2 3.38Å
55S72Confident71.8Confident44 Ų4475.7 Ų75.731%0.30839%0.389SS..Hα-helixtrans-80.7-8.8-179.9-62.50000114F51 R52 S53 V57F51-S55 WeakPolarHBondContact CE1-OG 3.33Å; F51-S55 WeakPolarHBondContact CZ-OG 3.09Å; F51-S55 VanDerWaalsContact O-CB 3.3Å; F51-S55 WeakPolarHBondContact O-CB 3.18Å; F51-S55 PolarHBondContact O-N 3.25Å; F51-S55 PolarHBondContact O-OG 3.47Å; R52-S55 PolarHBondContact O-N 2.99Å; S53-S55 PolarHBondContact O-N 3.37Å; S55-V57 WeakPolarHBondContact O-CG2 3.21Å; S55-V57 PolarHBondContact O-N 3.32Å
56R70.4Confident72Confident40 Ų4073.4 Ų73.415%0.15138%0.377CS..  trans-65.4130.7178.3-70-118.7-174.3-104.3-3110.2R52 S53 H54 F67 L71 L74 N132R52-R56 WeakPolarHBondContact O-CG 3.38Å; R52-R56 PolarHBondContact O-N 2.83Å; S53-R56 WeakPolarHBondContact O-CB 3.5Å; S53-R56 PolarHBondContact O-N 2.84Å; H54-R56 VanDerWaalsContact C-N 3.31Å; H54-R56 PolarHBondContact O-N 3.13Å; R56-F67 HydrophobicContact CB-CE2 4.39Å; R56-L71 HydrophobicContact CB-CD2 4.28Å; R56-L74 HydrophobicContact CG-CD1 4.41Å; R56-N132 PolarHBondContact NH1-OD1 3.06Å
57V70.8Confident72.1Confident78 Ų7870 Ų7047%0.47336%0.36SS..  trans-113.5141.6175.4-169.40000107.6S55 L59 R94S55-V57 WeakPolarHBondContact O-CG2 3.21Å; S55-V57 PolarHBondContact O-N 3.32Å; V57-L59 PolarHBondContact O-N 3.27Å; V57-R94 VanDerWaalsContact CG2-NH1 3.29Å
58R69Low72Confident106 Ų10663.8 Ų63.840%0.433%0.329SS..PPolyproline II helixtrans-57.8127.5171.6177.8173.3168.1-1290.1109.1K62 F67R58-K62 PolarHBondContact NE-O 3.25Å; R58-K62 PolarHBondContact NH2-O 2.95Å; R58-F67 HydrophobicContact CB-CB 4.31Å; R58-F67 HydrophobicContact CB-CD1 4.3Å; R58-F67 HydrophobicContact CB-CD2 3.83Å; R58-F67 HydrophobicContact CB-CE2 4.2Å; R58-F67 HydrophobicContact CB-CG 3.88Å; R58-F67 HydrophobicContact CG-CB 4.13Å; R58-F67 HydrophobicContact CG-CD2 4.47Å; R58-F67 HydrophobicContact CG-CG 4.26Å
59L67.6Low72.3Confident80 Ų8061.8 Ų61.842%0.41932%0.317SS..PPolyproline II helixtrans-69.4139.6173-172.867000109.3V57 G61 K62V57-L59 PolarHBondContact O-N 3.27Å; L59-G61 PolarHBondContact O-N 3.04Å; L59-K62 HydrophobicContact CB-CD 4.04Å; L59-K62 HydrophobicContact CB-CG 4.16Å; L59-K62 HydrophobicContact CD2-CD 4.42Å; L59-K62 HydrophobicContact CD2-CG 4.41Å; L59-K62 PolarHBondContact O-N 3.15Å
60E67.8Low72.5Confident184 Ų18461.7 Ų61.786%0.8632%0.316SS*.THydrogen-bonded Turntrans-57.3131.7173.1-64.5179.7-178.300109.7K62E60-K62 PolarHBondContact O-N 2.9Å
61G72Confident72.7Confident82 Ų8257.3 Ų57.385%0.84530%0.3SS*.THydrogen-bonded Turntrans88.7-19.2-177.400000116.7L59L59-G61 PolarHBondContact O-N 3.04Å
62K71.4Confident72.9Confident46 Ų4654.2 Ų54.220%0.229%0.288CS..  trans-75148.3174.3-79.4-168.9170.7-171.60111.5R58 L59 E60 D70R58-K62 PolarHBondContact NE-O 3.25Å; R58-K62 PolarHBondContact NH2-O 2.95Å; L59-K62 HydrophobicContact CB-CD 4.04Å; L59-K62 HydrophobicContact CB-CG 4.16Å; L59-K62 HydrophobicContact CD2-CD 4.42Å; L59-K62 HydrophobicContact CD2-CG 4.41Å; L59-K62 PolarHBondContact O-N 3.15Å; E60-K62 PolarHBondContact O-N 2.9Å; K62-D70 IonicContact NZ-OD2 2.92Å; K62-D70 PolarHBondContact NZ-OD2 3.07Å
63T75Confident73.1Confident71 Ų7152.3 Ų52.344%0.43628%0.281SS..  trans-70.9161.5174.873.10000111.1S65 D66 F67T63-S65 PolarHBondContact O-N 3.22Å; T63-S65 PolarHBondContact OG1-N 3.35Å; T63-D66 WeakPolarHBondContact CB-OD2 2.9Å; T63-D66 PolarHBondContact N-OD2 3.45Å; T63-D66 VanDerWaalsContact N-OD2 3.09Å; T63-D66 PolarHBondContact O-N 3.26Å; T63-D66 PolarHBondContact OG1-N 3.39Å; T63-D66 VanDerWaalsContact OG1-N 3.09Å; T63-D66 PolarHBondContact OG1-OD1 3.27Å; T63-D66 PolarHBondContact OG1-OD2 2.92Å; T63-F67 PolarHBondContact O-N 3.34Å
64I72Confident73.3Confident57 Ų5754.1 Ų54.129%0.29229%0.29SS..Hα-helixtrans-63.6-35.1173.5-63.1161.5000109.9F67 V68 L91 V95I64-F67 PolarHBondContact O-N 2.87Å; I64-V68 HydrophobicContact CG2-CG2 4.44Å; I64-V68 WeakPolarHBondContact O-CG2 3.25Å; I64-V68 PolarHBondContact O-N 2.68Å; I64-L91 HydrophobicContact CG2-CD2 3.96Å; I64-V95 HydrophobicContact CD1-CG1 3.48Å; I64-V95 VanDerWaalsContact CD1-CG1 3.48Å; I64-V95 HydrophobicContact CG1-CG1 3.77Å; I64-V95 HydrophobicContact CG2-CG1 4.27Å; I64-V95 HydrophobicContact CG2-CG2 4.44Å
65S74.8Confident73.4Confident20 Ų2051.2 Ų51.214%0.1428%0.277CS..Hα-helixtrans-60.9-45.9176.3-171.10000112.3T63 F67 V68 T69T63-S65 PolarHBondContact O-N 3.22Å; T63-S65 PolarHBondContact OG1-N 3.35Å; S65-F67 VanDerWaalsContact C-N 3.3Å; S65-F67 PolarHBondContact O-N 3.31Å; S65-V68 PolarHBondContact O-N 2.92Å; S65-T69 WeakPolarHBondContact O-CB 3.47Å; S65-T69 PolarHBondContact O-N 2.75Å; S65-T69 PolarHBondContact O-OG1 2.64Å
66D77Confident73.4Confident41 Ų4153 Ų5322%0.21929%0.294CS..Hα-helixtrans-63.2-40.6178-54.2-36.5000110.9T63 V68 T69 D70 I125T63-D66 WeakPolarHBondContact CB-OD2 2.9Å; T63-D66 PolarHBondContact N-OD2 3.45Å; T63-D66 VanDerWaalsContact N-OD2 3.09Å; T63-D66 PolarHBondContact O-N 3.26Å; T63-D66 PolarHBondContact OG1-N 3.39Å; T63-D66 VanDerWaalsContact OG1-N 3.09Å; T63-D66 PolarHBondContact OG1-OD1 3.27Å; T63-D66 PolarHBondContact OG1-OD2 2.92Å; D66-V68 PolarHBondContact O-N 3.11Å; D66-T69 PolarHBondContact O-N 2.77Å; D66-D70 WeakPolarHBondContact O-CB 3.39Å; D66-D70 VanDerWaalsContact O-CG 3.28Å; D66-D70 PolarHBondContact O-N 2.89Å; D66-I125 HydrophobicContact CB-CD1 4.46Å; D66-I125 WeakPolarHBondContact OD1-CD1 3.2Å
67F75.7Confident73.3Confident11 Ų1159.5 Ų59.55%0.04832%0.323CS..Hα-helixtrans-62.2-44.3177.7176.5-112.3000112.4R56 R58 T63 I64 S65 D70 L71R56-F67 HydrophobicContact CB-CE2 4.39Å; R58-F67 HydrophobicContact CB-CB 4.31Å; R58-F67 HydrophobicContact CB-CD1 4.3Å; R58-F67 HydrophobicContact CB-CD2 3.83Å; R58-F67 HydrophobicContact CB-CE2 4.2Å; R58-F67 HydrophobicContact CB-CG 3.88Å; R58-F67 HydrophobicContact CG-CB 4.13Å; R58-F67 HydrophobicContact CG-CD2 4.47Å; R58-F67 HydrophobicContact CG-CG 4.26Å; T63-F67 PolarHBondContact O-N 3.34Å; I64-F67 PolarHBondContact O-N 2.87Å; S65-F67 VanDerWaalsContact C-N 3.3Å; S65-F67 PolarHBondContact O-N 3.31Å; F67-D70 PolarHBondContact O-N 3.18Å; F67-L71 HydrophobicContact CD1-CD1 3.94Å; F67-L71 HydrophobicContact CE1-CD1 3.42Å; F67-L71 VanDerWaalsContact CE1-CD1 3.42Å; F67-L71 HydrophobicContact CE1-CG 4.25Å; F67-L71 HydrophobicContact CE2-CD1 4.26Å; F67-L71 HydrophobicContact CE2-CG 4.23Å; F67-L71 HydrophobicContact CZ-CD1 3.6Å; F67-L71 HydrophobicContact CZ-CD2 4.31Å; F67-L71 HydrophobicContact CZ-CG 4.05Å; F67-L71 WeakPolarHBondContact O-CG 3.36Å; F67-L71 PolarHBondContact O-N 3.18Å
68V76.3Confident73Confident0 Ų057.2 Ų57.20%031%0.306CS..Hα-helixtrans-68.9-37.3177.4173.80000111.1I64 S65 D66 L71 L72 I87 L91 V114 I117I64-V68 HydrophobicContact CG2-CG2 4.44Å; I64-V68 WeakPolarHBondContact O-CG2 3.25Å; I64-V68 PolarHBondContact O-N 2.68Å; S65-V68 PolarHBondContact O-N 2.92Å; D66-V68 PolarHBondContact O-N 3.11Å; V68-L71 WeakPolarHBondContact O-CB 3.37Å; V68-L71 PolarHBondContact O-N 3.37Å; V68-L72 HydrophobicContact CG1-CD1 4.05Å; V68-L72 HydrophobicContact CG1-CG 4.4Å; V68-L72 WeakPolarHBondContact O-CB 2.74Å; V68-L72 WeakPolarHBondContact O-CG 3.46Å; V68-L72 PolarHBondContact O-N 2.86Å; V68-I87 HydrophobicContact CG1-CG2 4.05Å; V68-I87 HydrophobicContact CG2-CG2 4.5Å; V68-L91 HydrophobicContact CG2-CD1 4Å; V68-L91 HydrophobicContact CG2-CD2 3.67Å; V68-L91 HydrophobicContact CG2-CG 4.21Å; V68-V114 HydrophobicContact CG1-CG2 4.16Å; V68-I117 HydrophobicContact CB-CD1 3.45Å; V68-I117 VanDerWaalsContact CB-CD1 3.45Å; V68-I117 HydrophobicContact CG1-CD1 3.41Å; V68-I117 VanDerWaalsContact CG1-CD1 3.41Å; V68-I117 HydrophobicContact CG2-CD1 4.26Å
69T78.3Confident72.9Confident23 Ų2358.8 Ų58.814%0.14132%0.323CS..Hα-helixtrans-62.9-44.3174.9-55.50000110.9S65 D66 L71 L72 R73 I117S65-T69 WeakPolarHBondContact O-CB 3.47Å; S65-T69 PolarHBondContact O-N 2.75Å; S65-T69 PolarHBondContact O-OG1 2.64Å; D66-T69 PolarHBondContact O-N 2.77Å; T69-L71 PolarHBondContact O-N 3Å; T69-L72 PolarHBondContact O-N 3.15Å; T69-R73 HydrophobicContact CG2-CG 4.49Å; T69-R73 WeakPolarHBondContact O-CB 3.47Å; T69-R73 WeakPolarHBondContact O-CG 3.34Å; T69-R73 PolarHBondContact O-N 3.38Å; T69-I117 WeakPolarHBondContact OG1-CG2 3.43Å
70D75.8Confident72.7Confident29 Ų2956.6 Ų56.616%0.15531%0.31CS..Hα-helixtrans-61.1-43174.4-76.3-16.3000111K62 D66 F67 L74K62-D70 IonicContact NZ-OD2 2.92Å; K62-D70 PolarHBondContact NZ-OD2 3.07Å; D66-D70 WeakPolarHBondContact O-CB 3.39Å; D66-D70 VanDerWaalsContact O-CG 3.28Å; D66-D70 PolarHBondContact O-N 2.89Å; F67-D70 PolarHBondContact O-N 3.18Å; D70-L74 WeakPolarHBondContact O-CB 3.36Å; D70-L74 WeakPolarHBondContact O-CD1 3.42Å; D70-L74 VanDerWaalsContact O-CG 3.25Å; D70-L74 WeakPolarHBondContact O-CG 3.32Å; D70-L74 PolarHBondContact O-N 3.27Å; D70-L74 VanDerWaalsContact O-N 3.07Å
71L76.7Confident72.6Confident3 Ų355.5 Ų55.52%0.01631%0.309CS..Hα-helixtrans-61.7-45.2175.2-77.1173.5000112.2R56 F67 V68 T69 L74 S75R56-L71 HydrophobicContact CB-CD2 4.28Å; F67-L71 HydrophobicContact CD1-CD1 3.94Å; F67-L71 HydrophobicContact CE1-CD1 3.42Å; F67-L71 VanDerWaalsContact CE1-CD1 3.42Å; F67-L71 HydrophobicContact CE1-CG 4.25Å; F67-L71 HydrophobicContact CE2-CD1 4.26Å; F67-L71 HydrophobicContact CE2-CG 4.23Å; F67-L71 HydrophobicContact CZ-CD1 3.6Å; F67-L71 HydrophobicContact CZ-CD2 4.31Å; F67-L71 HydrophobicContact CZ-CG 4.05Å; F67-L71 WeakPolarHBondContact O-CG 3.36Å; F67-L71 PolarHBondContact O-N 3.18Å; V68-L71 WeakPolarHBondContact O-CB 3.37Å; V68-L71 PolarHBondContact O-N 3.37Å; T69-L71 PolarHBondContact O-N 3Å; L71-L74 PolarHBondContact O-N 3.33Å; L71-S75 WeakPolarHBondContact O-CB 3.49Å; L71-S75 PolarHBondContact O-N 2.73Å; L71-S75 PolarHBondContact O-OG 3.02Å
72L78.3Confident72.6Confident28 Ų2856.9 Ų56.915%0.14729%0.294CS..Hα-helixtrans-63.2-49178.2-77.9168.4000111.3V68 T69 L74 S75 A76 L83 I87 I117V68-L72 HydrophobicContact CG1-CD1 4.05Å; V68-L72 HydrophobicContact CG1-CG 4.4Å; V68-L72 WeakPolarHBondContact O-CB 2.74Å; V68-L72 WeakPolarHBondContact O-CG 3.46Å; V68-L72 PolarHBondContact O-N 2.86Å; T69-L72 PolarHBondContact O-N 3.15Å; L72-L74 VanDerWaalsContact C-N 3.28Å; L72-L74 PolarHBondContact O-N 3.47Å; L72-S75 PolarHBondContact O-N 3.46Å; L72-S75 VanDerWaalsContact O-N 3.15Å; L72-A76 PolarHBondContact O-N 2.94Å; L72-L83 HydrophobicContact CD2-CD2 4.05Å; L72-L83 HydrophobicContact CD2-CG 4.38Å; L72-I87 HydrophobicContact CD2-CD1 3.32Å; L72-I87 HydrophobicContact CG-CD1 3.78Å; L72-I117 HydrophobicContact CD1-CG2 3.86Å
73R75.2Confident72.7Confident93 Ų9356.6 Ų56.635%0.35129%0.294SS..Hα-helixtrans-59.4-38.6178.9-75.5178.3177.9-178.21.4112.4T69 D123T69-R73 HydrophobicContact CG2-CG 4.49Å; T69-R73 WeakPolarHBondContact O-CB 3.47Å; T69-R73 WeakPolarHBondContact O-CG 3.34Å; T69-R73 PolarHBondContact O-N 3.38Å; R73-D123 PolarHBondContact NH2-O 3.32Å
74L71.9Confident72.7Confident38 Ų3855.9 Ų55.920%0.19929%0.287CS..Hα-helixtrans-68.9-45.5175.7-72.8168.4000111.4R56 D70 L71 L72 A76 K77 W78R56-L74 HydrophobicContact CG-CD1 4.41Å; D70-L74 WeakPolarHBondContact O-CB 3.36Å; D70-L74 WeakPolarHBondContact O-CD1 3.42Å; D70-L74 VanDerWaalsContact O-CG 3.25Å; D70-L74 WeakPolarHBondContact O-CG 3.32Å; D70-L74 PolarHBondContact O-N 3.27Å; D70-L74 VanDerWaalsContact O-N 3.07Å; L71-L74 PolarHBondContact O-N 3.33Å; L72-L74 VanDerWaalsContact C-N 3.28Å; L72-L74 PolarHBondContact O-N 3.47Å; L74-A76 PolarHBondContact O-N 3.07Å; L74-K77 PolarHBondContact O-N 3.19Å; L74-W78 HydrophobicContact CB-CZ2 4.08Å; L74-W78 PolarHBondContact O-NE1 3.49Å
75S73.9Confident72.8Confident2 Ų255.9 Ų55.91%0.01429%0.288CS..Hα-helixtrans-67-24.2-178.5-53.90000112.9L71 L72 K77 W78 L83L71-S75 WeakPolarHBondContact O-CB 3.49Å; L71-S75 PolarHBondContact O-N 2.73Å; L71-S75 PolarHBondContact O-OG 3.02Å; L72-S75 PolarHBondContact O-N 3.46Å; L72-S75 VanDerWaalsContact O-N 3.15Å; S75-K77 PolarHBondContact O-N 2.69Å; S75-W78 PolarHBondContact O-N 3.3Å; S75-L83 WeakPolarHBondContact OG-CD1 3.23Å
76A72.6Confident72.8Confident81 Ų8155.6 Ų55.667%0.66928%0.284SS*.THydrogen-bonded Turntrans-59.6-25.4175.800000113.6L72 L74 W78L72-A76 PolarHBondContact O-N 2.94Å; L74-A76 PolarHBondContact O-N 3.07Å; A76-W78 PolarHBondContact O-N 2.95Å
77K67.8Low72.7Confident176 Ų17653.6 Ų53.677%0.76527%0.274SS*.THydrogen-bonded Turntrans-76.3-7.7175.9-67.9-178.4178.6-176.40112.5L74 S75L74-K77 PolarHBondContact O-N 3.19Å; S75-K77 PolarHBondContact O-N 2.69Å
78W64.9Low72.6Confident30 Ų3053.4 Ų53.411%0.11427%0.274CS..SBendtrans-123.3150.7-163.5-40.2-17.5000111.2L49 R50 L74 S75 A76 F80L49-W78 HydrophobicContact CB-CD2 4.41Å; L49-W78 HydrophobicContact CB-CH2 4.48Å; L49-W78 HydrophobicContact CB-CZ2 4.36Å; L49-W78 HydrophobicContact CD1-CD2 4.37Å; L49-W78 VanDerWaalsContact CD1-CE2 3.45Å; L49-W78 HydrophobicContact CD1-CH2 3.89Å; L49-W78 HydrophobicContact CD1-CZ2 3.18Å; L49-W78 HydrophobicContact CD2-CD2 3.94Å; L49-W78 HydrophobicContact CD2-CG 3.82Å; L49-W78 HydrophobicContact CD2-CZ2 4.25Å; L49-W78 HydrophobicContact CG-CD2 3.54Å; L49-W78 HydrophobicContact CG-CE3 4.03Å; L49-W78 HydrophobicContact CG-CG 3.99Å; L49-W78 HydrophobicContact CG-CH2 3.83Å; L49-W78 HydrophobicContact CG-CZ2 3.29Å; L49-W78 HydrophobicContact CG-CZ3 4.19Å; L49-W78 WeakPolarHBondContact O-CH2 3.47Å; L49-W78 WeakPolarHBondContact O-CZ3 3.39Å; R50-W78 VanDerWaalsContact CA-CZ3 3.41Å; R50-W78 HydrophobicContact CG-CE3 4.47Å; R50-W78 VanDerWaalsContact N-CZ3 3.31Å; L74-W78 HydrophobicContact CB-CZ2 4.08Å; L74-W78 PolarHBondContact O-NE1 3.49Å; S75-W78 PolarHBondContact O-N 3.3Å; A76-W78 PolarHBondContact O-N 2.95Å; W78-F80 HydrophobicContact CB-CD2 4.13Å; W78-F80 HydrophobicContact CB-CE2 4.37Å; W78-F80 HydrophobicContact CD2-CE2 4.04Å; W78-F80 HydrophobicContact CE3-CD2 4.07Å; W78-F80 AromaticContact CE3-CE2 3.16Å; W78-F80 HydrophobicContact CE3-CE2 3.16Å; W78-F80 AromaticContact CE3-CZ 3.68Å; W78-F80 HydrophobicContact CE3-CZ 3.68Å; W78-F80 AromaticContact CZ3-CE2 3.74Å; W78-F80 HydrophobicContact CZ3-CE2 3.74Å; W78-F80 AromaticContact CZ3-CZ 3.98Å; W78-F80 HydrophobicContact CZ3-CZ 3.98Å; W78-F80 PolarHBondContact O-N 3.26Å; W78-F80 VanDerWaalsContact O-N 3.15Å
79N66.5Low72.5Confident139 Ų13958.1 Ų58.174%0.74330%0.299SS*.  trans-86.776.7176.2-166.926.1000110.6
80F62.3Low72.3Confident35 Ų3559.3 Ų59.315%0.15430%0.301CS..  trans-84131.5173.1-88.8-71000111.4R50 W78 L83 M86R50-F80 HydrophobicContact CB-CZ 4.39Å; R50-F80 HydrophobicContact CG-CE1 3.78Å; R50-F80 HydrophobicContact CG-CZ 3.74Å; W78-F80 HydrophobicContact CB-CD2 4.13Å; W78-F80 HydrophobicContact CB-CE2 4.37Å; W78-F80 HydrophobicContact CD2-CE2 4.04Å; W78-F80 HydrophobicContact CE3-CD2 4.07Å; W78-F80 AromaticContact CE3-CE2 3.16Å; W78-F80 HydrophobicContact CE3-CE2 3.16Å; W78-F80 AromaticContact CE3-CZ 3.68Å; W78-F80 HydrophobicContact CE3-CZ 3.68Å; W78-F80 AromaticContact CZ3-CE2 3.74Å; W78-F80 HydrophobicContact CZ3-CE2 3.74Å; W78-F80 AromaticContact CZ3-CZ 3.98Å; W78-F80 HydrophobicContact CZ3-CZ 3.98Å; W78-F80 PolarHBondContact O-N 3.26Å; W78-F80 VanDerWaalsContact O-N 3.15Å; F80-L83 HydrophobicContact CB-CB 4.16Å; F80-L83 HydrophobicContact CD2-CD1 4.46Å; F80-M86 HydrophobicContact CE1-SD 3.93Å; F80-M86 HydrophobicContact CE2-CE 4.2Å; F80-M86 HydrophobicContact CE2-SD 3.95Å; F80-M86 HydrophobicContact CZ-CE 4.26Å; F80-M86 HydrophobicContact CZ-SD 3.43Å; F80-M86 WeakPolarHBondContact CZ-SD 3.35Å
81L65.3Low72Confident160 Ų16058.5 Ų58.584%0.83830%0.297SS*.SBendtrans-69.6-35.7168.1-171.164.9000111.6
82E72.7Confident71.6Confident112 Ų11260 Ų6052%0.52331%0.306SS..  trans-139.663.1-171.3-61.4-173.4-176.900112.6D84 N85 M86E82-D84 VanDerWaalsContact C-N 3.29Å; E82-D84 PolarHBondContact O-N 3.43Å; E82-N85 HydrophobicContact CB-CB 4.23Å; E82-N85 PolarHBondContact O-N 3.15Å; E82-N85 PolarHBondContact OE2-ND2 2.98Å; E82-M86 PolarHBondContact O-N 2.87Å
83L74.5Confident70.9Confident40 Ų4064.9 Ų64.921%0.20933%0.331CS..Hα-helixtrans-55.7-42.7178.6174.752.5000112.6L72 S75 F80 M86 I87L72-L83 HydrophobicContact CD2-CD2 4.05Å; L72-L83 HydrophobicContact CD2-CG 4.38Å; S75-L83 WeakPolarHBondContact OG-CD1 3.23Å; F80-L83 HydrophobicContact CB-CB 4.16Å; F80-L83 HydrophobicContact CD2-CD1 4.46Å; L83-M86 HydrophobicContact CD1-CE 3.53Å; L83-M86 PolarHBondContact O-N 2.83Å; L83-I87 HydrophobicContact CD1-CD1 3.6Å; L83-I87 HydrophobicContact CD1-CG1 4.03Å; L83-I87 HydrophobicContact CG-CD1 3.9Å; L83-I87 WeakPolarHBondContact O-CG1 3.37Å; L83-I87 PolarHBondContact O-N 3.32Å
84D73.8Confident70.3Confident56 Ų5665.7 Ų65.730%0.29933%0.334SS..Hα-helixtrans-68-40.2-175-73.4-19.8000113E82 I87 C88 R118E82-D84 VanDerWaalsContact C-N 3.29Å; E82-D84 PolarHBondContact O-N 3.43Å; D84-I87 PolarHBondContact O-N 2.9Å; D84-C88 WeakPolarHBondContact O-CB 3.45Å; D84-C88 PolarHBondContact O-N 2.83Å; D84-C88 PolarHBondContact O-SG 3.39Å; D84-R118 VanDerWaalsContact CG-NH2 3.3Å; D84-R118 IonicContact OD1-CZ 3.72Å; D84-R118 VanDerWaalsContact OD1-CZ 3.26Å; D84-R118 IonicContact OD1-NH1 3.41Å; D84-R118 PolarHBondContact OD1-NH1 2.9Å; D84-R118 IonicContact OD1-NH2 3.06Å; D84-R118 PolarHBondContact OD1-NH2 3.32Å; D84-R118 IonicContact OD2-CZ 3.26Å; D84-R118 IonicContact OD2-NH1 3.28Å; D84-R118 PolarHBondContact OD2-NH1 2.85Å; D84-R118 IonicContact OD2-NH2 2.6Å; D84-R118 PolarHBondContact OD2-NH2 3.49Å
85N74.6Confident69.7Low57 Ų5765.8 Ų65.831%0.30534%0.336SS..Hα-helixtrans-64.1-44.4176.7-68.2-21.5000110.6E82 I87 C88 D89E82-N85 HydrophobicContact CB-CB 4.23Å; E82-N85 PolarHBondContact O-N 3.15Å; E82-N85 PolarHBondContact OE2-ND2 2.98Å; N85-I87 VanDerWaalsContact C-N 3.35Å; N85-I87 PolarHBondContact O-N 3.21Å; N85-C88 WeakPolarHBondContact O-CB 3.37Å; N85-C88 PolarHBondContact O-N 3.38Å; N85-C88 VanDerWaalsContact O-N 3.16Å; N85-D89 WeakPolarHBondContact O-CB 3.43Å; N85-D89 VanDerWaalsContact O-CG 3.23Å; N85-D89 PolarHBondContact O-N 3.01Å
86M74.5Confident68.7Low13 Ų1368 Ų686%0.06435%0.35CS..Hα-helixtrans-60.1-42.9176.6179.2-150.754.400112.2F80 E82 L83 C88 R90F80-M86 HydrophobicContact CE1-SD 3.93Å; F80-M86 HydrophobicContact CE2-CE 4.2Å; F80-M86 HydrophobicContact CE2-SD 3.95Å; F80-M86 HydrophobicContact CZ-CE 4.26Å; F80-M86 HydrophobicContact CZ-SD 3.43Å; F80-M86 WeakPolarHBondContact CZ-SD 3.35Å; E82-M86 PolarHBondContact O-N 2.87Å; L83-M86 HydrophobicContact CD1-CE 3.53Å; L83-M86 PolarHBondContact O-N 2.83Å; M86-C88 VanDerWaalsContact C-N 3.35Å; M86-R90 WeakPolarHBondContact O-CG 3.38Å; M86-R90 PolarHBondContact O-N 3.1Å; M86-R90 VanDerWaalsContact O-N 3.1Å
87I75.4Confident67.6Low0 Ų075.8 Ų75.80%036%0.362CS..Hα-helixtrans-66.3-41.5177.3-64.6167.7000110.2V68 L72 L83 D84 N85 R90 L91 V114V68-I87 HydrophobicContact CG1-CG2 4.05Å; V68-I87 HydrophobicContact CG2-CG2 4.5Å; L72-I87 HydrophobicContact CD2-CD1 3.32Å; L72-I87 HydrophobicContact CG-CD1 3.78Å; L83-I87 HydrophobicContact CD1-CD1 3.6Å; L83-I87 HydrophobicContact CD1-CG1 4.03Å; L83-I87 HydrophobicContact CG-CD1 3.9Å; L83-I87 WeakPolarHBondContact O-CG1 3.37Å; L83-I87 PolarHBondContact O-N 3.32Å; D84-I87 PolarHBondContact O-N 2.9Å; N85-I87 VanDerWaalsContact C-N 3.35Å; N85-I87 PolarHBondContact O-N 3.21Å; I87-R90 PolarHBondContact O-N 3.2Å; I87-L91 HydrophobicContact CG2-CD1 4.02Å; I87-L91 HydrophobicContact CG2-CG 4.35Å; I87-L91 WeakPolarHBondContact O-CG 3.42Å; I87-L91 PolarHBondContact O-N 2.91Å; I87-V114 HydrophobicContact CB-CG2 4.25Å; I87-V114 HydrophobicContact CG2-CG2 3.49Å; I87-V114 VanDerWaalsContact CG2-CG2 3.49Å
88C74.1Confident66.7Low7 Ų775.7 Ų75.75%0.04737%0.369CS..Hα-helixtrans-61.2-49176.3-68.70000111.7D84 N85 M86 R90 L91 V92 A110 R111D84-C88 WeakPolarHBondContact O-CB 3.45Å; D84-C88 PolarHBondContact O-N 2.83Å; D84-C88 PolarHBondContact O-SG 3.39Å; N85-C88 WeakPolarHBondContact O-CB 3.37Å; N85-C88 PolarHBondContact O-N 3.38Å; N85-C88 VanDerWaalsContact O-N 3.16Å; M86-C88 VanDerWaalsContact C-N 3.35Å; C88-R90 PolarHBondContact O-N 3.25Å; C88-L91 PolarHBondContact O-N 3.31Å; C88-V92 VanDerWaalsContact O-CG2 3.28Å; C88-V92 WeakPolarHBondContact O-CG2 3.37Å; C88-V92 PolarHBondContact O-N 2.8Å; C88-A110 HydrophobicContact CB-CB 4.3Å; C88-R111 VanDerWaalsContact SG-CG 3.54Å
89D73.4Confident65.9Low98 Ų9875.6 Ų75.652%0.52437%0.373SS..Hα-helixtrans-56.5-37.5177.1-69.9-17.8000111.1N85 L93N85-D89 WeakPolarHBondContact O-CB 3.43Å; N85-D89 VanDerWaalsContact O-CG 3.23Å; N85-D89 PolarHBondContact O-N 3.01Å; D89-L93 VanDerWaalsContact O-CB 3.23Å; D89-L93 WeakPolarHBondContact O-CB 3.39Å; D89-L93 WeakPolarHBondContact O-CG 3.19Å; D89-L93 PolarHBondContact O-N 3.47Å
90R73.7Confident65.2Low49 Ų4974 Ų7419%0.18538%0.379CS..Hα-helixtrans-71.8-39.3176.2-75.8-72.4174.7-138.4-0.3113.2H54 M86 I87 C88 R94H54-R90 PolarHBondContact O-NE 2.83Å; H54-R90 PolarHBondContact O-NH2 3.38Å; M86-R90 WeakPolarHBondContact O-CG 3.38Å; M86-R90 PolarHBondContact O-N 3.1Å; M86-R90 VanDerWaalsContact O-N 3.1Å; I87-R90 PolarHBondContact O-N 3.2Å; C88-R90 PolarHBondContact O-N 3.25Å; R90-R94 VanDerWaalsContact NH1-NE 3.13Å; R90-R94 WeakPolarHBondContact O-CB 3.28Å; R90-R94 PolarHBondContact O-N 2.91Å
91L69.8Low64.7Low12 Ų1276.7 Ų76.76%0.06341%0.408CS..Iπ-helixtrans-65.6-44.1175.8-73175.5000111.2I64 V68 I87 C88 V95 A110 V114I64-L91 HydrophobicContact CG2-CD2 3.96Å; V68-L91 HydrophobicContact CG2-CD1 4Å; V68-L91 HydrophobicContact CG2-CD2 3.67Å; V68-L91 HydrophobicContact CG2-CG 4.21Å; I87-L91 HydrophobicContact CG2-CD1 4.02Å; I87-L91 HydrophobicContact CG2-CG 4.35Å; I87-L91 WeakPolarHBondContact O-CG 3.42Å; I87-L91 PolarHBondContact O-N 2.91Å; C88-L91 PolarHBondContact O-N 3.31Å; L91-V95 HydrophobicContact CD2-CB 4.38Å; L91-V95 HydrophobicContact CD2-CG2 3.64Å; L91-V95 WeakPolarHBondContact O-CB 3.48Å; L91-V95 PolarHBondContact O-N 3.05Å; L91-A110 HydrophobicContact CB-CB 3.84Å; L91-A110 HydrophobicContact CD1-CB 3.66Å; L91-A110 HydrophobicContact CG-CB 4.39Å; L91-V114 HydrophobicContact CD1-CG2 4.32Å
92V67.6Low64.2Low35 Ų3572 Ų7221%0.21239%0.386CS..Iπ-helixtrans-67.4-40.5179.2176.80000112C88 T96 C106C88-V92 VanDerWaalsContact O-CG2 3.28Å; C88-V92 WeakPolarHBondContact O-CG2 3.37Å; C88-V92 PolarHBondContact O-N 2.8Å; V92-T96 PolarHBondContact O-OG1 3.35Å; V92-C106 HydrophobicContact CG1-CB 4.45Å; V92-C106 HydrophobicContact CG2-CB 3.9Å
93L63.8Low63.4Low129 Ų12971 Ų7168%0.67539%0.388SS*.Iπ-helixtrans-86.3-29-175.7-66174.8000114.4D89D89-L93 VanDerWaalsContact O-CB 3.23Å; D89-L93 WeakPolarHBondContact O-CB 3.39Å; D89-L93 WeakPolarHBondContact O-CG 3.19Å; D89-L93 PolarHBondContact O-N 3.47Å
94R62.3Low62.5Low111 Ų11175.9 Ų75.942%0.41941%0.408SS..Iπ-helixtrans-117.6-27.3-168.3-71.3178.6163-91.88.4115.6V57 R90V57-R94 VanDerWaalsContact CG2-NH1 3.29Å; R90-R94 VanDerWaalsContact NH1-NE 3.13Å; R90-R94 WeakPolarHBondContact O-CB 3.28Å; R90-R94 PolarHBondContact O-N 2.91Å
95V59.3Low61.8Low39 Ų3978.4 Ų78.424%0.23642%0.421CS..Iπ-helixtrans-86.8-43-178.9176.90000110.5I64 L91 R97I64-V95 HydrophobicContact CD1-CG1 3.48Å; I64-V95 VanDerWaalsContact CD1-CG1 3.48Å; I64-V95 HydrophobicContact CG1-CG1 3.77Å; I64-V95 HydrophobicContact CG2-CG1 4.27Å; I64-V95 HydrophobicContact CG2-CG2 4.44Å; L91-V95 HydrophobicContact CD2-CB 4.38Å; L91-V95 HydrophobicContact CD2-CG2 3.64Å; L91-V95 WeakPolarHBondContact O-CB 3.48Å; L91-V95 PolarHBondContact O-N 3.05Å; V95-R97 VanDerWaalsContact C-N 3.32Å; V95-R97 PolarHBondContact O-N 3.31Å
96T53.8Low60.8Low49 Ų4976.8 Ų76.830%0.30141%0.413SS..  trans-85.777.3178.252.60000110.1V92 L98 S99V92-T96 PolarHBondContact O-OG1 3.35Å; T96-L98 PolarHBondContact O-N 3.34Å; T96-S99 WeakPolarHBondContact CB-OG 3.44Å; T96-S99 PolarHBondContact O-N 2.79Å; T96-S99 PolarHBondContact OG1-OG 3.01Å
97R50.3Low60.3Low245 Ų24577.6 Ų77.693%0.92542%0.422SS*.THydrogen-bonded Turntrans-53.1-10.6166.3-137177179.4159.3-1.2113V95V95-R97 VanDerWaalsContact C-N 3.32Å; V95-R97 PolarHBondContact O-N 3.31Å
98L47.7Very low59.8Low173 Ų17381.8 Ų81.891%0.90644%0.442SS*.THydrogen-bonded Turntrans-128.111.9-168.9-67.4172.3000115.7T96T96-L98 PolarHBondContact O-N 3.34Å
99S49.1Very low59.3Low28 Ų2884 Ų8420%0.19646%0.46CS..  trans-13843.5-178.282.50000115.9T96 A101 V102 C106T96-S99 WeakPolarHBondContact CB-OG 3.44Å; T96-S99 PolarHBondContact O-N 2.79Å; T96-S99 PolarHBondContact OG1-OG 3.01Å; S99-A101 PolarHBondContact O-N 2.66Å; S99-V102 PolarHBondContact O-N 3.5Å; S99-C106 PolarHBondContact OG-SG 3.09Å
100A50.6Low58.9Low107 Ų10779.6 Ų79.688%0.88444%0.438SS*.THydrogen-bonded Turntrans-52.8-18.6160.500000112.6
101A52.9Low58.7Low91 Ų9184 Ų8475%0.75246%0.455SS*.THydrogen-bonded Turntrans-78.8-14.7-176.700000115.9S99S99-A101 PolarHBondContact O-N 2.66Å
102V53.4Low58.8Low62 Ų6290.8 Ų90.838%0.37648%0.483SS..  trans-143.678.8-179.7-157.40000113.2S99 F104 I105 C106S99-V102 PolarHBondContact O-N 3.5Å; V102-F104 VanDerWaalsContact C-N 3.28Å; V102-F104 PolarHBondContact O-N 3.29Å; V102-I105 HydrophobicContact CB-CB 4.46Å; V102-I105 HydrophobicContact CG1-CB 3.8Å; V102-I105 HydrophobicContact CG1-CD1 3.73Å; V102-I105 HydrophobicContact CG1-CG1 3.57Å; V102-C106 PolarHBondContact O-N 3.22Å; V102-C106 PolarHBondContact O-SG 3.41Å; V102-C106 VanDerWaalsContact O-SG 3.38Å
103P55.9Low58.9Low89 Ų8992.5 Ų92.558%0.57849%0.489SS*.Hα-helixtrans-60.5-34.5179.520.4-30.2000113.3A107P103-A107 WeakPolarHBondContact O-CB 3.34Å; P103-A107 PolarHBondContact O-N 3.47Å
104F56.6Low59.2Low144 Ų14486.5 Ų86.563%0.63246%0.458SS*.Hα-helixtrans-68.6-51.5-176-169.5-95.5000113.2V102 C106 A107 E108V102-F104 VanDerWaalsContact C-N 3.28Å; V102-F104 PolarHBondContact O-N 3.29Å; F104-C106 VanDerWaalsContact C-N 3.29Å; F104-C106 PolarHBondContact O-N 3.09Å; F104-A107 PolarHBondContact O-N 2.68Å; F104-E108 HydrophobicContact CE1-CG 4.37Å; F104-E108 WeakPolarHBondContact CE1-OE1 3.37Å; F104-E108 WeakPolarHBondContact CZ-OE1 3.36Å; F104-E108 PolarHBondContact O-N 3.41Å
105I58Low59.8Low109 Ų10986 Ų8656%0.55946%0.46SS*.Hα-helixtrans-63.7-38.2179.6-61.4-178.5000110.5V102 A109V102-I105 HydrophobicContact CB-CB 4.46Å; V102-I105 HydrophobicContact CG1-CB 3.8Å; V102-I105 HydrophobicContact CG1-CD1 3.73Å; V102-I105 HydrophobicContact CG1-CG1 3.57Å; I105-A109 VanDerWaalsContact O-CB 3.32Å; I105-A109 WeakPolarHBondContact O-CB 3.26Å; I105-A109 PolarHBondContact O-N 3.45Å
106C55.5Low60.1Low22 Ų2288.1 Ų88.115%0.14948%0.475CS..Hα-helixtrans-67.5-36.3178.2-68.40000112.9V92 S99 V102 F104 A110V92-C106 HydrophobicContact CG1-CB 4.45Å; V92-C106 HydrophobicContact CG2-CB 3.9Å; S99-C106 PolarHBondContact OG-SG 3.09Å; V102-C106 PolarHBondContact O-N 3.22Å; V102-C106 PolarHBondContact O-SG 3.41Å; V102-C106 VanDerWaalsContact O-SG 3.38Å; F104-C106 VanDerWaalsContact C-N 3.29Å; F104-C106 PolarHBondContact O-N 3.09Å; C106-A110 WeakPolarHBondContact O-CB 3.38Å; C106-A110 PolarHBondContact O-N 2.88Å
107A62.6Low60.8Low30 Ų3086.4 Ų86.425%0.24847%0.465CS..Hα-helixtrans-65.5-45.1176.500000111.8P103 F104 A110 R111P103-A107 WeakPolarHBondContact O-CB 3.34Å; P103-A107 PolarHBondContact O-N 3.47Å; F104-A107 PolarHBondContact O-N 2.68Å; A107-A110 PolarHBondContact O-N 2.87Å; A107-R111 WeakPolarHBondContact O-CG 3.16Å; A107-R111 PolarHBondContact O-N 2.83Å
108E65.4Low61.7Low88 Ų8880 Ų8041%0.41144%0.44SS..Hα-helixtrans-66.4-42.1177.3-69-173.2167.200112.5F104 A110 R111 K112F104-E108 HydrophobicContact CE1-CG 4.37Å; F104-E108 WeakPolarHBondContact CE1-OE1 3.37Å; F104-E108 WeakPolarHBondContact CZ-OE1 3.36Å; F104-E108 PolarHBondContact O-N 3.41Å; E108-A110 VanDerWaalsContact C-N 3.34Å; E108-R111 PolarHBondContact O-N 2.97Å; E108-K112 WeakPolarHBondContact O-CG 3.47Å; E108-K112 PolarHBondContact O-N 3.35Å
109A62.6Low62.7Low53 Ų5376.8 Ų76.844%0.43843%0.428SS..Hα-helixtrans-63.9-40.6175.900000111.6I105 K112 H113I105-A109 VanDerWaalsContact O-CB 3.32Å; I105-A109 WeakPolarHBondContact O-CB 3.26Å; I105-A109 PolarHBondContact O-N 3.45Å; A109-K112 PolarHBondContact O-N 2.76Å; A109-H113 WeakPolarHBondContact O-CB 3.42Å; A109-H113 PolarHBondContact O-N 2.89Å
110A66.7Low63.3Low6 Ų681.8 Ų81.85%0.0544%0.443CS..Hα-helixtrans-60.2-45.8174.100000111.3C88 L91 C106 A107 E108 H113 V114C88-A110 HydrophobicContact CB-CB 4.3Å; L91-A110 HydrophobicContact CB-CB 3.84Å; L91-A110 HydrophobicContact CD1-CB 3.66Å; L91-A110 HydrophobicContact CG-CB 4.39Å; C106-A110 WeakPolarHBondContact O-CB 3.38Å; C106-A110 PolarHBondContact O-N 2.88Å; A107-A110 PolarHBondContact O-N 2.87Å; E108-A110 VanDerWaalsContact C-N 3.34Å; A110-H113 PolarHBondContact O-N 2.92Å; A110-V114 WeakPolarHBondContact O-CG2 3.49Å; A110-V114 PolarHBondContact O-N 3.43Å
111R69.1Low63.5Low143 Ų14381.2 Ų81.254%0.5443%0.43SS..Hα-helixtrans-59.3-47.5175.5-74.4179.1179.4173.2-0.9112.2C88 A107 E108 H113 V114 E115C88-R111 VanDerWaalsContact SG-CG 3.54Å; A107-R111 WeakPolarHBondContact O-CG 3.16Å; A107-R111 PolarHBondContact O-N 2.83Å; E108-R111 PolarHBondContact O-N 2.97Å; R111-H113 VanDerWaalsContact C-N 3.25Å; R111-H113 PolarHBondContact O-N 2.79Å; R111-V114 PolarHBondContact O-N 3.38Å; R111-E115 PolarHBondContact O-N 3.16Å
112K72.5Confident63.5Low153 Ų15382.3 Ų82.367%0.66543%0.429SS*.Hα-helixtrans-59.2-38.5176.3-72.8177.7-178.6175.60111.9E108 A109 E115 C116E108-K112 WeakPolarHBondContact O-CG 3.47Å; E108-K112 PolarHBondContact O-N 3.35Å; A109-K112 PolarHBondContact O-N 2.76Å; K112-E115 PolarHBondContact O-N 3.03Å; K112-C116 WeakPolarHBondContact O-CB 3.32Å; K112-C116 PolarHBondContact O-N 3.04Å
113H68.9Low63.6Low72 Ų7283 Ų8333%0.33343%0.431SS..Hα-helixtrans-70.2-38.7178.5-158.1-73.4000112.3A109 A110 R111 E115 I117A109-H113 WeakPolarHBondContact O-CB 3.42Å; A109-H113 PolarHBondContact O-N 2.89Å; A110-H113 PolarHBondContact O-N 2.92Å; R111-H113 VanDerWaalsContact C-N 3.25Å; R111-H113 PolarHBondContact O-N 2.79Å; H113-E115 VanDerWaalsContact C-N 3.35Å; H113-I117 VanDerWaalsContact ND1-CD1 3.34Å; H113-I117 WeakPolarHBondContact ND1-CD1 3.37Å; H113-I117 WeakPolarHBondContact O-CD1 3.42Å; H113-I117 VanDerWaalsContact O-CG1 3.26Å; H113-I117 WeakPolarHBondContact O-CG1 3.43Å; H113-I117 PolarHBondContact O-N 3.08Å; H113-I117 VanDerWaalsContact O-N 3.13Å
114V69.5Low63Low2 Ų288.4 Ų88.41%0.01245%0.448CS..Hα-helixtrans-62.3-44.7173173.10000110.5V68 I87 L91 A110 R111 I117 R118V68-V114 HydrophobicContact CG1-CG2 4.16Å; I87-V114 HydrophobicContact CB-CG2 4.25Å; I87-V114 HydrophobicContact CG2-CG2 3.49Å; I87-V114 VanDerWaalsContact CG2-CG2 3.49Å; L91-V114 HydrophobicContact CD1-CG2 4.32Å; A110-V114 WeakPolarHBondContact O-CG2 3.49Å; A110-V114 PolarHBondContact O-N 3.43Å; R111-V114 PolarHBondContact O-N 3.38Å; V114-I117 PolarHBondContact O-N 2.92Å; V114-R118 WeakPolarHBondContact O-CG 3.13Å; V114-R118 PolarHBondContact O-N 3.19Å; V114-R118 VanDerWaalsContact O-N 3.08Å
115E74.5Confident62.5Low102 Ų10284.2 Ų84.248%0.47743%0.432SS..Hα-helixtrans-64.8-42.5179.5-168.257.3-154.500112.4R111 K112 H113 I117 R118 T119R111-E115 PolarHBondContact O-N 3.16Å; K112-E115 PolarHBondContact O-N 3.03Å; H113-E115 VanDerWaalsContact C-N 3.35Å; E115-I117 VanDerWaalsContact C-N 3.26Å; E115-I117 PolarHBondContact O-N 3.23Å; E115-R118 PolarHBondContact O-N 2.92Å; E115-R118 IonicContact OE2-NH1 2.87Å; E115-T119 PolarHBondContact O-N 3.24Å; E115-T119 PolarHBondContact O-OG1 2.85Å
116C67.4Low61.6Low82 Ų8282.8 Ų82.855%0.55443%0.432SS*.Hα-helixtrans-62.3-32.6174.9-1790000112.8K112 T119 R120K112-C116 WeakPolarHBondContact O-CB 3.32Å; K112-C116 PolarHBondContact O-N 3.04Å; C116-T119 PolarHBondContact O-OG1 2.89Å; C116-T119 VanDerWaalsContact O-OG1 3.05Å; C116-R120 PolarHBondContact O-N 2.95Å
117I66.9Low60.9Low14 Ų1487.1 Ų87.17%0.07246%0.457CS..Hα-helixtrans-74-36.4177.1-70.4168.1000111.3V68 T69 L72 H113 V114 E115 T119 R120V68-I117 HydrophobicContact CB-CD1 3.45Å; V68-I117 VanDerWaalsContact CB-CD1 3.45Å; V68-I117 HydrophobicContact CG1-CD1 3.41Å; V68-I117 VanDerWaalsContact CG1-CD1 3.41Å; V68-I117 HydrophobicContact CG2-CD1 4.26Å; T69-I117 WeakPolarHBondContact OG1-CG2 3.43Å; L72-I117 HydrophobicContact CD1-CG2 3.86Å; H113-I117 VanDerWaalsContact ND1-CD1 3.34Å; H113-I117 WeakPolarHBondContact ND1-CD1 3.37Å; H113-I117 WeakPolarHBondContact O-CD1 3.42Å; H113-I117 VanDerWaalsContact O-CG1 3.26Å; H113-I117 WeakPolarHBondContact O-CG1 3.43Å; H113-I117 PolarHBondContact O-N 3.08Å; H113-I117 VanDerWaalsContact O-N 3.13Å; V114-I117 PolarHBondContact O-N 2.92Å; E115-I117 VanDerWaalsContact C-N 3.26Å; E115-I117 PolarHBondContact O-N 3.23Å; I117-T119 PolarHBondContact O-N 3.28Å; I117-R120 WeakPolarHBondContact O-CB 3.37Å; I117-R120 PolarHBondContact O-N 2.6Å; I117-R120 VanDerWaalsContact O-N 3.14Å
118R69Low60Low110 Ų11092.5 Ų92.542%0.41548%0.482SS..Hα-helixtrans-61.8-34.2176.4-74.2177167.7147.70.7112.7D84 V114 E115 R120D84-R118 VanDerWaalsContact CG-NH2 3.3Å; D84-R118 IonicContact OD1-CZ 3.72Å; D84-R118 VanDerWaalsContact OD1-CZ 3.26Å; D84-R118 IonicContact OD1-NH1 3.41Å; D84-R118 PolarHBondContact OD1-NH1 2.9Å; D84-R118 IonicContact OD1-NH2 3.06Å; D84-R118 PolarHBondContact OD1-NH2 3.32Å; D84-R118 IonicContact OD2-CZ 3.26Å; D84-R118 IonicContact OD2-NH1 3.28Å; D84-R118 PolarHBondContact OD2-NH1 2.85Å; D84-R118 IonicContact OD2-NH2 2.6Å; D84-R118 PolarHBondContact OD2-NH2 3.49Å; V114-R118 WeakPolarHBondContact O-CG 3.13Å; V114-R118 PolarHBondContact O-N 3.19Å; V114-R118 VanDerWaalsContact O-N 3.08Å; E115-R118 PolarHBondContact O-N 2.92Å; E115-R118 IonicContact OE2-NH1 2.87Å; R118-R120 VanDerWaalsContact C-N 3.33Å
119T69.8Low58.7Low106 Ų10698.1 Ų98.165%0.6550%0.499SS*.THydrogen-bonded Turntrans-84.4-8.7178.557.80000113.3E115 C116 I117E115-T119 PolarHBondContact O-N 3.24Å; E115-T119 PolarHBondContact O-OG1 2.85Å; C116-T119 PolarHBondContact O-OG1 2.89Å; C116-T119 VanDerWaalsContact O-OG1 3.05Å; I117-T119 PolarHBondContact O-N 3.28Å
120R62.5Low57.8Low133 Ų13399.1 Ų99.150%0.50250%0.497SS..SBendtrans-77.3135.9178.5-166.8179.8172.6128.5-0.6110.3C116 I117 R118 D123C116-R120 PolarHBondContact O-N 2.95Å; I117-R120 WeakPolarHBondContact O-CB 3.37Å; I117-R120 PolarHBondContact O-N 2.6Å; I117-R120 VanDerWaalsContact O-N 3.14Å; R118-R120 VanDerWaalsContact C-N 3.33Å; R120-D123 IonicContact CZ-OD2 2.87Å; R120-D123 IonicContact NE-OD2 3.53Å; R120-D123 PolarHBondContact NE-OD2 3.44Å; R120-D123 IonicContact NH2-OD2 3.23Å; R120-D123 PolarHBondContact NH2-OD2 3.22Å
121P53.4Low56.9Low94 Ų94106.6 Ų106.661%0.6153%0.53SS*.  trans-58143.9171.223.8-32.8000110.3D123P121-D123 PolarHBondContact O-N 3.22Å
122P54.1Low55.6Low114 Ų114104.2 Ų104.274%0.7453%0.528SS*.  trans-68.698.4-177.927.7-33.3000109.7E124P122-E124 PolarHBondContact O-N 3.08Å
123D54.2Low54.1Low76 Ų76107 Ų10741%0.40653%0.534SS..  trans-61.6130.6167.2-65.3-36.3000108.4R73 R120 P121 I125R73-D123 PolarHBondContact NH2-O 3.32Å; R120-D123 IonicContact CZ-OD2 2.87Å; R120-D123 IonicContact NE-OD2 3.53Å; R120-D123 PolarHBondContact NE-OD2 3.44Å; R120-D123 IonicContact NH2-OD2 3.23Å; R120-D123 PolarHBondContact NH2-OD2 3.22Å; P121-D123 PolarHBondContact O-N 3.22Å; D123-I125 VanDerWaalsContact C-N 3.25Å; D123-I125 HydrophobicContact CB-CG1 4.46Å; D123-I125 PolarHBondContact O-N 3.14Å
124E44.9Very low52.5Low203 Ų203108.7 Ų108.795%0.94955%0.552SS**  trans-67.276.9176.3-89.5-172.916100110.5P122P122-E124 PolarHBondContact O-N 3.08Å
125I45.4Very low51Low56 Ų56114.4 Ų114.429%0.28758%0.577SS.*  trans-86.5116.2172.2-56.4171.1000108.6D66 D123D66-I125 HydrophobicContact CB-CD1 4.46Å; D66-I125 WeakPolarHBondContact OD1-CD1 3.2Å; D123-I125 VanDerWaalsContact C-N 3.25Å; D123-I125 HydrophobicContact CB-CG1 4.46Å; D123-I125 PolarHBondContact O-N 3.14Å
126S38.4Very low49.1Very low80 Ų80113.3 Ų113.356%0.55959%0.585SS**  trans-56.8130.3174.3164.60000111.6D128S126-D128 PolarHBondContact O-N 3.33Å; S126-D128 PolarHBondContact OG-OD2 3.21Å
127V42.1Very low47.5Very low112 Ų112115.6 Ų115.668%0.67959%0.592SS**G310 helixtrans-72.7-10.5-174.8-179.30000112.5R129V127-R129 VanDerWaalsContact C-N 3.35Å; V127-R129 PolarHBondContact O-N 3.36Å
128D42.4Very low45.9Very low143 Ų143121.9 Ų121.977%0.76563%0.626SS**G310 helixtrans-77.8-8.9-162.5-65.8-42.6000115.8S126 L130S126-D128 PolarHBondContact O-N 3.33Å; S126-D128 PolarHBondContact OG-OD2 3.21Å; D128-L130 PolarHBondContact O-N 3.13Å
129R39.4Very low44.1Very low206 Ų206120.8 Ų120.878%0.77764%0.64SS**G310 helixtrans-95.624.6-179.9-61.7-167-159.4-173.87.6114.6V127 H131V127-R129 VanDerWaalsContact C-N 3.35Å; V127-R129 PolarHBondContact O-N 3.36Å; R129-H131 PolarHBondContact O-N 3.43Å; R129-H131 VanDerWaalsContact O-N 3.15Å
130L43Very low42.3Very low74 Ų74123.4 Ų123.439%0.38765%0.649SS.*  trans-8584.8-173.2-16075.5000112D128 N132D128-L130 PolarHBondContact O-N 3.13Å; L130-N132 PolarHBondContact O-N 3.27Å
131H48.1Very low40.9Very low164 Ų164121.7 Ų121.776%0.75966%0.658SS**  trans-67.798.3166.7-98.874.1000109.5R129 R133R129-H131 PolarHBondContact O-N 3.43Å; R129-H131 VanDerWaalsContact O-N 3.15Å; H131-R133 PolarHBondContact O-N 3.35Å
132N41.8Very low39.6Very low92 Ų92124.7 Ų124.749%0.49267%0.669SS.*  trans-57.1108.2150.5-94.1-11.1000105.3R56 L130 P134R56-N132 PolarHBondContact NH1-OD1 3.06Å; L130-N132 PolarHBondContact O-N 3.27Å; N132-P134 WeakPolarHBondContact O-CD 3.11Å
133R39.5Very low38.5Very low211 Ų211125.5 Ų125.580%0.79667%0.671SS**PPolyproline II helixtrans-54.6119.9159.3-89.8-151.6-167.6-157.35.2105.2H131 F135H131-R133 PolarHBondContact O-N 3.35Å; R133-F135 PolarHBondContact O-N 3.05Å; R133-F135 VanDerWaalsContact O-N 3.13Å
134P36.3Very low37Very low108 Ų108126 Ų12670%0.70169%0.694SS**PPolyproline II helixtrans-54.2128.7172.821.1-29.2000106N132 A136N132-P134 WeakPolarHBondContact O-CD 3.11Å; P134-A136 PolarHBondContact O-N 3.01Å
135F38.7Very low36.1Very low123 Ų123120.3 Ų120.354%0.53968%0.682SS.*PPolyproline II helixtrans-46.9119.5166.8-134.7-112.1000106.2F51 R133 N137F51-F135 HydrophobicContact CD1-CE2 4.34Å; F51-F135 AromaticContact CE1-CD2 3.89Å; F51-F135 HydrophobicContact CE1-CD2 3.89Å; F51-F135 HydrophobicContact CE1-CE1 4.26Å; F51-F135 AromaticContact CE1-CE2 3.02Å; F51-F135 HydrophobicContact CE1-CE2 3.02Å; F51-F135 AromaticContact CE1-CZ 3.24Å; F51-F135 HydrophobicContact CE1-CZ 3.24Å; F51-F135 HydrophobicContact CE2-CE2 4.48Å; F51-F135 HydrophobicContact CE2-CZ 4.18Å; F51-F135 HydrophobicContact CZ-CD2 4.34Å; F51-F135 HydrophobicContact CZ-CE1 4.24Å; F51-F135 AromaticContact CZ-CE2 3.13Å; F51-F135 HydrophobicContact CZ-CE2 3.13Å; F51-F135 AromaticContact CZ-CZ 3.04Å; F51-F135 HydrophobicContact CZ-CZ 3.04Å; R133-F135 PolarHBondContact O-N 3.05Å; R133-F135 VanDerWaalsContact O-N 3.13Å; F135-N137 PolarHBondContact O-N 3.26Å; F135-N137 PolarHBondContact O-OD1 3.34Å
136A33.8Very low35.2Very low78 Ų78123.1 Ų123.165%0.64570%0.704SS**  trans-55.6114.7172.300000105.5P134 N138P134-A136 PolarHBondContact O-N 3.01Å; A136-N138 PolarHBondContact O-N 3.06Å
137N34.7Very low34.8Very low130 Ų130130.6 Ų130.670%0.69572%0.72SS**SBendtrans-6951.4-171.3-70.5-33.9000112.2F135 S141F135-N137 PolarHBondContact O-N 3.26Å; F135-N137 PolarHBondContact O-OD1 3.34Å; N137-S141 PolarHBondContact O-OG 3.24Å
138N32.7Very low34.2Very low147 Ų147131.5 Ų131.579%0.78672%0.717SS**SBendtrans-110.212.4-175.7-72.310.3000113.6A136A136-N138 PolarHBondContact O-N 3.06Å
139A30.8Very low33.6Very low87 Ų87135.4 Ų135.472%0.71972%0.721SS**SBendtrans-148.91.6175.300000117.5
140L33.2Very low33.2Very low160 Ų160130.2 Ų130.284%0.83872%0.715SS**  trans-130.657.5168.8-93.8103.4000109.5D142L140-D142 VanDerWaalsContact C-N 3.3Å
141S31.9Very low32.4Very low98 Ų98134.5 Ų134.569%0.68573%0.731SS**  trans-9016.7176.7-56.20000113.2N137N137-S141 PolarHBondContact O-OG 3.24Å
142D26.5Very low31.5Very low157 Ų157132.1 Ų132.184%0.8473%0.731SS**SBendtrans-142.224.9-170.5-137.24.5000117.8L140L140-D142 VanDerWaalsContact C-N 3.3Å
143V30.3Very low30.7Very low130 Ų130136.6 Ų136.679%0.78874%0.741SS**SBendtrans-138.1107.7162.7-168.20000109A145V143-A145 VanDerWaalsContact C-N 3.32Å; V143-A145 PolarHBondContact O-N 2.88Å
144G23.8Very low30.2Very low87 Ų87130.4 Ų130.490%0.89773%0.727SS**  trans-61.679.7-175.400000114.4
145A25.8Very low30Very low84 Ų84130.6 Ų130.669%0.69473%0.728SS**  trans-92.1125170.200000110.4V143V143-A145 VanDerWaalsContact C-N 3.32Å; V143-A145 PolarHBondContact O-N 2.88Å
146P26.8Very low29.7Very low114 Ų114132.5 Ų132.574%0.7474%0.739SS**  trans-69.6142.4-175.826.4-31.6000111.9Q148P146-Q148 VanDerWaalsContact C-N 3.33Å; P146-Q148 PolarHBondContact O-N 3.4Å
147R28.6Very low29.7Very low238 Ų238134.6 Ų134.690%0.89874%0.735SS**  trans-64.579.4180-62.6176169.1-164.4-2.8111.6
148Q30.9Very low29.6Very low131 Ų131134.7 Ų134.761%0.61274%0.735SS**  trans-109110.5167.3-83-174.8-400110.6P146 C150P146-Q148 VanDerWaalsContact C-N 3.33Å; P146-Q148 PolarHBondContact O-N 3.4Å; Q148-C150 PolarHBondContact O-N 3Å
149W28.7Very low29.4Very low224 Ų224132.5 Ų132.585%0.84873%0.732SS**  trans-68.9104172.5-66.880000108.6F151W149-F151 VanDerWaalsContact C-N 3.3Å; W149-F151 PolarHBondContact O-N 3.31Å
150C30.8Very low29.4Very low97 Ų97134.5 Ų134.566%0.65573%0.729SS**  trans-69.986.3169.5-66.80000109.9Q148 C152Q148-C150 PolarHBondContact O-N 3Å; C150-C152 PolarHBondContact O-N 2.96Å
151F27.8Very low29.4Very low165 Ų165137.6 Ų137.672%0.72473%0.729SS**  trans-75.9104.3153.4-93.1-93.4000106.8W149 W153W149-F151 VanDerWaalsContact C-N 3.3Å; W149-F151 PolarHBondContact O-N 3.31Å; F151-W153 PolarHBondContact O-N 2.95Å
152C27.7Very low29.4Very low113 Ų113144.8 Ų144.876%0.76474%0.742SS**  trans-59.5107.1165.9-710000107.6C150 T154C150-C152 PolarHBondContact O-N 2.96Å; C152-T154 PolarHBondContact O-N 2.96Å; C152-T154 VanDerWaalsContact O-N 3.09Å
153W25.4Very low29.7Very low186 Ų186144.7 Ų144.771%0.70574%0.736SS**  trans-62.7110.8166-75.866000107.1F151 Q157 L158F151-W153 PolarHBondContact O-N 2.95Å; W153-Q157 HydrophobicContact CE3-CB 4.31Å; W153-L158 HydrophobicContact CE3-CD2 4.37Å; W153-L158 HydrophobicContact CE3-CG 4.22Å; W153-L158 HydrophobicContact CZ3-CD2 4.46Å
154T28.5Very low29.9Very low81 Ų81147.1 Ų147.150%0.49774%0.738SS.*  trans-65141.6162.836.40000108.1C152 E156 Q157C152-T154 PolarHBondContact O-N 2.96Å; C152-T154 VanDerWaalsContact O-N 3.09Å; T154-E156 PolarHBondContact O-N 3.33Å; T154-Q157 PolarHBondContact O-N 3.37Å
155P32.4Very low30.2Very low112 Ų112147.6 Ų147.673%0.72773%0.734SS**G310 helixtrans-55.9-26.8-179.1-23.231.9000113.4Q157 L158P155-Q157 VanDerWaalsContact C-N 3.27Å; P155-Q157 PolarHBondContact O-N 2.99Å; P155-L158 PolarHBondContact O-N 3.34Å
156E33.3Very low30.7Very low163 Ų163158.7 Ų158.776%0.76276%0.758SS**G310 helixtrans-60.8-30175.6-97178112.700114T154 L158 S159T154-E156 PolarHBondContact O-N 3.33Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.31Å; E156-S159 PolarHBondContact O-N 2.94Å
157Q32.7Very low30.9Very low122 Ų122161 Ų16157%0.5776%0.759SS**G310 helixtrans-78.7-11.5179.4-72.7-68.9-51.600113.4W153 T154 P155 S159W153-Q157 HydrophobicContact CE3-CB 4.31Å; T154-Q157 PolarHBondContact O-N 3.37Å; P155-Q157 VanDerWaalsContact C-N 3.27Å; P155-Q157 PolarHBondContact O-N 2.99Å; Q157-S159 VanDerWaalsContact C-N 3.26Å; Q157-S159 PolarHBondContact O-N 3.38Å
158L32.8Very low31Very low133 Ų133156.9 Ų156.970%0.69675%0.752SS**G310 helixtrans-78-8.3174-81.2158.5000113.3W153 P155 E156W153-L158 HydrophobicContact CE3-CD2 4.37Å; W153-L158 HydrophobicContact CE3-CG 4.22Å; W153-L158 HydrophobicContact CZ3-CD2 4.46Å; P155-L158 PolarHBondContact O-N 3.34Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.31Å
159S29.4Very low31Very low101 Ų101158.3 Ų158.371%0.70676%0.759SS**G310 helixtrans-86.8-6.2-174.2178.80000115.2E156 Q157E156-S159 PolarHBondContact O-N 2.94Å; Q157-S159 VanDerWaalsContact C-N 3.26Å; Q157-S159 PolarHBondContact O-N 3.38Å
160I30.5Very low31.1Very low129 Ų129154.5 Ų154.566%0.66275%0.754SS**  trans-127.391-171.2-51.9175.1000110.3
161R33.3Very low31.1Very low225 Ų225158.1 Ų158.185%0.84976%0.76SS**  trans-176.767133.9-73.9-139.3-170.2-156-0.4109.8H163R161-H163 PolarHBondContact O-N 3.38Å
162R32.1Very low31.4Very low249 Ų249157.6 Ų157.694%0.9476%0.763SS**  trans-88.367.2149.3-70.9-170.6-160.3173.56.5108.3
163H33.1Very low31.6Very low155 Ų155160.8 Ų160.872%0.71876%0.763SS**  trans-97.296.1157-90.9-69.8000104.8R161 A165R161-H163 PolarHBondContact O-N 3.38Å; H163-A165 VanDerWaalsContact C-N 3.3Å; H163-A165 PolarHBondContact O-N 3.2Å; H163-A165 VanDerWaalsContact O-N 3.17Å
164Q32.8Very low32.1Very low180 Ų180158.8 Ų158.884%0.84177%0.767SS**  43.258.295.9-70.8-163.3-15.700112.1
165A31.8Very low32.4Very low98 Ų98165.3 Ų165.381%0.8179%0.79SS**  trans-88.1109.5145.800000105.8H163H163-A165 VanDerWaalsContact C-N 3.3Å; H163-A165 PolarHBondContact O-N 3.2Å; H163-A165 VanDerWaalsContact O-N 3.17Å
166R34.8Very low32.4Very low317 Ų317170.2 Ų170.2100%1.19680%0.795SS**  trans-63.40161.1-73.8-178.3-179.7-150.90.1109.9

Retrieved 166 of 166 residues in 120.1 ms (Link to these results)

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