A0A087YGR5_POEFO Loading...

Angiotensin II receptor-associated protein

AlphaFold DB , UniProt , Accession A0A087YGR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 162 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
1M33.3Very low49Very low231 Ų231103.6 Ų103.6100%1.13856%0.563SS**  0107.70-103.1161.8175.800105.9I3M1-I3 PolarHBondContact O-N 3.49Å
2E36.3Very low50.1Low196 Ų19695.9 Ų95.992%0.91652%0.521SS*.  trans-72.4108.9-179.2-57.2178.516700107.3P4E2-P4 WeakPolarHBondContact O-CD 3.21Å
3I43.2Very low50.7Low77 Ų7796.8 Ų96.840%0.39552%0.524SS..  trans-77.2118.4-179.5-50-179.7000106M1 A5 E112M1-I3 PolarHBondContact O-N 3.49Å; I3-A5 PolarHBondContact O-N 3.32Å; I3-E112 WeakPolarHBondContact CD1-OE1 3.28Å
4P45.3Very low51.1Low105 Ų10593.1 Ų93.168%0.68251%0.514SS*.  trans-61.4129.4-172.825-33.2000109.2E2 I6E2-P4 WeakPolarHBondContact O-CD 3.21Å; P4-I6 PolarHBondContact O-N 3.04Å
5A48.7Very low51.9Low75 Ų7589.3 Ų89.362%0.6249%0.491SS*.  trans-57.196.6-178.100000110.8I3 N7I3-A5 PolarHBondContact O-N 3.32Å; A5-N7 PolarHBondContact O-N 3.43Å; A5-N7 VanDerWaalsContact O-N 3.11Å
6I55.1Low52.6Low91 Ų9191.4 Ų91.447%0.46749%0.489SS..  trans-69.8111.8174-72.2164.8000107.1P4 L8 I11P4-I6 PolarHBondContact O-N 3.04Å; I6-L8 PolarHBondContact O-N 3.37Å; I6-I11 HydrophobicContact CG2-CD1 4.49Å; I6-I11 HydrophobicContact CG2-CG1 4.44Å
7N58.5Low52.8Low97 Ų9790.1 Ų90.152%0.51948%0.482SS..  trans-63.8126.8-174.5-80.5-80.5000110.8A5 K9 A10A5-N7 PolarHBondContact O-N 3.43Å; A5-N7 VanDerWaalsContact O-N 3.11Å; N7-K9 HydrophobicContact CB-CB 4.46Å; N7-K9 PolarHBondContact O-N 2.97Å; N7-A10 WeakPolarHBondContact O-CB 3.37Å; N7-A10 PolarHBondContact O-N 2.84Å
8L56.8Low53Low56 Ų5687.3 Ų87.329%0.29347%0.467SS..Hα-helixtrans-45.8-32.8173.6-145.195.9000112.9I6 A10 I11 V12 I45I6-L8 PolarHBondContact O-N 3.37Å; L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 3.32Å; L8-I11 PolarHBondContact O-N 3.04Å; L8-V12 PolarHBondContact O-N 2.95Å; L8-V12 VanDerWaalsContact O-N 3.14Å; L8-I45 HydrophobicContact CD2-CG1 4.04Å
9K50.5Low53.4Low117 Ų11783.5 Ų83.551%0.50945%0.447SS..Hα-helixtrans-55.7-40.8173.8-74176.4159.6177.40113.7N7 L13 I45 R48N7-K9 HydrophobicContact CB-CB 4.46Å; N7-K9 PolarHBondContact O-N 2.97Å; K9-L13 WeakPolarHBondContact O-CB 3.38Å; K9-L13 WeakPolarHBondContact O-CG 3.14Å; K9-L13 PolarHBondContact O-N 2.84Å; K9-I45 HydrophobicContact CG-CG2 4.36Å; K9-R48 VanDerWaalsContact CE-NH2 3.29Å
10A51.6Low53.7Low53 Ų5381.4 Ų81.444%0.43844%0.437SS..Hα-helixtrans-69.1-37-179.400000111.4N7 L8 L13 A14N7-A10 WeakPolarHBondContact O-CB 3.37Å; N7-A10 PolarHBondContact O-N 2.84Å; L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 3.32Å; A10-L13 PolarHBondContact O-N 2.76Å; A10-A14 WeakPolarHBondContact O-CB 3.42Å; A10-A14 PolarHBondContact O-N 2.7Å
11I59.2Low53.5Low42 Ų4283 Ų8322%0.21544%0.437CS..Hα-helixtrans-67.1-44.8178.6-60.3172.3000110.4I6 L8 A14 H15I6-I11 HydrophobicContact CG2-CD1 4.49Å; I6-I11 HydrophobicContact CG2-CG1 4.44Å; L8-I11 PolarHBondContact O-N 3.04Å; I11-A14 PolarHBondContact O-N 3.22Å; I11-H15 PolarHBondContact O-N 2.84Å; I11-H15 PolarHBondContact O-ND1 3.31Å
12V62.4Low54.6Low11 Ų1172.6 Ų72.67%0.06739%0.389CS..Hα-helixtrans-68.1-39.6177.61750000111.5L8 A14 H15 W16 L38 I45 F57L8-V12 PolarHBondContact O-N 2.95Å; L8-V12 VanDerWaalsContact O-N 3.14Å; V12-A14 PolarHBondContact O-N 3.39Å; V12-H15 PolarHBondContact O-N 2.96Å; V12-W16 WeakPolarHBondContact O-CB 3.34Å; V12-W16 PolarHBondContact O-N 2.97Å; V12-L38 HydrophobicContact CG1-CD2 4.44Å; V12-I45 HydrophobicContact CB-CD1 3.64Å; V12-I45 HydrophobicContact CG1-CD1 3.74Å; V12-I45 HydrophobicContact CG2-CD1 3.56Å; V12-I45 HydrophobicContact CG2-CG1 4.12Å; V12-F57 HydrophobicContact CG2-CE1 4.32Å; V12-F57 HydrophobicContact CG2-CZ 3.97Å
13L57.8Low55.6Low107 Ų10765 Ų6556%0.5636%0.358SS*.Hα-helixtrans-61-43.2174.1-88.4167.1000112.1K9 A10 W16 L17K9-L13 WeakPolarHBondContact O-CB 3.38Å; K9-L13 WeakPolarHBondContact O-CG 3.14Å; K9-L13 PolarHBondContact O-N 2.84Å; A10-L13 PolarHBondContact O-N 2.76Å; L13-W16 PolarHBondContact O-N 3.42Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 PolarHBondContact O-N 3.31Å
14A56.9Low56.2Low46 Ų4668.7 Ų68.738%0.3838%0.375SS..Hα-helixtrans-60.7-49.1175.500000110.9A10 I11 V12 W16 L17 L18A10-A14 WeakPolarHBondContact O-CB 3.42Å; A10-A14 PolarHBondContact O-N 2.7Å; I11-A14 PolarHBondContact O-N 3.22Å; V12-A14 PolarHBondContact O-N 3.39Å; A14-W16 VanDerWaalsContact C-N 3.32Å; A14-W16 PolarHBondContact O-N 2.85Å; A14-L17 PolarHBondContact O-N 2.9Å; A14-L18 HydrophobicContact CB-CD1 4.48Å; A14-L18 WeakPolarHBondContact O-CB 3.39Å; A14-L18 VanDerWaalsContact O-CD1 3.23Å; A14-L18 WeakPolarHBondContact O-CD1 3.48Å; A14-L18 PolarHBondContact O-N 3.12Å
15H63.1Low56.3Low35 Ų3566.3 Ų66.316%0.16237%0.37CS..Hα-helixtrans-62.2-37.8178.9-79.277.5000113I11 V12 T19 L38 L61I11-H15 PolarHBondContact O-N 2.84Å; I11-H15 PolarHBondContact O-ND1 3.31Å; V12-H15 PolarHBondContact O-N 2.96Å; H15-T19 WeakPolarHBondContact O-CB 3.31Å; H15-T19 PolarHBondContact O-N 3.44Å; H15-T19 PolarHBondContact O-OG1 2.92Å; H15-L38 HydrophobicContact CB-CD2 4.24Å; H15-L61 WeakPolarHBondContact CD2-CD2 3.28Å; H15-L61 WeakPolarHBondContact NE2-CD2 3.09Å
16W62.5Low56.4Low123 Ų12366.7 Ų66.747%0.46636%0.361SS..Hα-helixtrans-61.3-47.6174.3175.681.5000111V12 L13 A14 L18 T19 V20 L38V12-W16 WeakPolarHBondContact O-CB 3.34Å; V12-W16 PolarHBondContact O-N 2.97Å; L13-W16 PolarHBondContact O-N 3.42Å; A14-W16 VanDerWaalsContact C-N 3.32Å; A14-W16 PolarHBondContact O-N 2.85Å; W16-L18 PolarHBondContact O-N 2.81Å; W16-T19 PolarHBondContact O-N 2.93Å; W16-V20 HydrophobicContact CD2-CG2 4.23Å; W16-V20 HydrophobicContact CZ2-CG2 4.12Å; W16-V20 VanDerWaalsContact O-CG2 3.27Å; W16-V20 WeakPolarHBondContact O-CG2 3.43Å; W16-V20 PolarHBondContact O-N 3.36Å; W16-L38 HydrophobicContact CB-CD1 4.31Å; W16-L38 HydrophobicContact CB-CD2 3.87Å
17L55.7Low56.4Low69 Ų6968.4 Ų68.436%0.36137%0.37SS..Hα-helixtrans-66.4-40.1-177.1-150137.3000111.8L13 A14 V20 W21L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 PolarHBondContact O-N 3.31Å; A14-L17 PolarHBondContact O-N 2.9Å; L17-V20 PolarHBondContact O-N 3.37Å; L17-W21 HydrophobicContact CD2-CD2 3.84Å; L17-W21 HydrophobicContact CD2-CE3 3.8Å; L17-W21 HydrophobicContact CD2-CH2 3.27Å; L17-W21 HydrophobicContact CD2-CZ2 3.27Å; L17-W21 HydrophobicContact CD2-CZ3 3.53Å; L17-W21 HydrophobicContact CG-CZ2 4.43Å; L17-W21 PolarHBondContact O-N 2.86Å; L17-W21 VanDerWaalsContact O-N 3.07Å
18L57.8Low56.3Low41 Ų4168.2 Ų68.222%0.21538%0.376CS..Hα-helixtrans-66.1-38.5173.8-82.4141.8000112.6A14 W16 W21 G22 M91A14-L18 HydrophobicContact CB-CD1 4.48Å; A14-L18 WeakPolarHBondContact O-CB 3.39Å; A14-L18 VanDerWaalsContact O-CD1 3.23Å; A14-L18 WeakPolarHBondContact O-CD1 3.48Å; A14-L18 PolarHBondContact O-N 3.12Å; W16-L18 PolarHBondContact O-N 2.81Å; L18-W21 PolarHBondContact O-N 3.31Å; L18-G22 PolarHBondContact O-N 2.89Å; L18-M91 HydrophobicContact CD2-CE 4.31Å
19T60.9Low56.2Low15 Ų1569.7 Ų69.79%0.09239%0.392CS..Hα-helixtrans-65.9-44.3175.1-60.70000111.4H15 W16 W21 G22 S23 N34 L38H15-T19 WeakPolarHBondContact O-CB 3.31Å; H15-T19 PolarHBondContact O-N 3.44Å; H15-T19 PolarHBondContact O-OG1 2.92Å; W16-T19 PolarHBondContact O-N 2.93Å; T19-W21 VanDerWaalsContact C-N 3.32Å; T19-W21 PolarHBondContact O-N 3.12Å; T19-G22 PolarHBondContact O-N 3.17Å; T19-S23 WeakPolarHBondContact O-CB 3.46Å; T19-S23 PolarHBondContact O-N 2.93Å; T19-S23 PolarHBondContact O-OG 3.26Å; T19-N34 HydrophobicContact CG2-CB 3.45Å; T19-N34 VanDerWaalsContact CG2-CB 3.45Å; T19-L38 HydrophobicContact CG2-CD1 3.91Å
20V59Low56.6Low40 Ų4066 Ų6624%0.24238%0.375CS..Hα-helixtrans-59.1-45.2177.3169.70000110.3W16 L17 S23W16-V20 HydrophobicContact CD2-CG2 4.23Å; W16-V20 HydrophobicContact CZ2-CG2 4.12Å; W16-V20 VanDerWaalsContact O-CG2 3.27Å; W16-V20 WeakPolarHBondContact O-CG2 3.43Å; W16-V20 PolarHBondContact O-N 3.36Å; L17-V20 PolarHBondContact O-N 3.37Å; V20-S23 PolarHBondContact O-N 2.83Å; V20-S23 PolarHBondContact O-OG 2.93Å
21W49.8Very low57Low116 Ų11664.4 Ų64.444%0.43936%0.362SS..Hα-helixtrans-70.8-36.8178.4-67.8-13.7000113.8L17 L18 T19 S23 M24 M91L17-W21 HydrophobicContact CD2-CD2 3.84Å; L17-W21 HydrophobicContact CD2-CE3 3.8Å; L17-W21 HydrophobicContact CD2-CH2 3.27Å; L17-W21 HydrophobicContact CD2-CZ2 3.27Å; L17-W21 HydrophobicContact CD2-CZ3 3.53Å; L17-W21 HydrophobicContact CG-CZ2 4.43Å; L17-W21 PolarHBondContact O-N 2.86Å; L17-W21 VanDerWaalsContact O-N 3.07Å; L18-W21 PolarHBondContact O-N 3.31Å; T19-W21 VanDerWaalsContact C-N 3.32Å; T19-W21 PolarHBondContact O-N 3.12Å; W21-S23 VanDerWaalsContact C-N 3.34Å; W21-M24 PolarHBondContact O-N 3.49Å; W21-M91 HydrophobicContact CE3-CE 3.81Å; W21-M91 HydrophobicContact CZ3-CE 3.67Å
22G55.8Low56.8Low12 Ų1271.8 Ų71.812%0.12439%0.387CS..Hα-helixtrans-67-34.2174.300000113.1L18 T19 M24L18-G22 PolarHBondContact O-N 2.89Å; T19-G22 PolarHBondContact O-N 3.17Å; G22-M24 PolarHBondContact O-N 3.43Å
23S58.1Low56.6Low38 Ų3873.2 Ų73.227%0.26640%0.398SS..THydrogen-bonded Turntrans-72.3-12179.472.80000114.5T19 V20 W21 G25T19-S23 WeakPolarHBondContact O-CB 3.46Å; T19-S23 PolarHBondContact O-N 2.93Å; T19-S23 PolarHBondContact O-OG 3.26Å; V20-S23 PolarHBondContact O-N 2.83Å; V20-S23 PolarHBondContact O-OG 2.93Å; W21-S23 VanDerWaalsContact C-N 3.34Å; S23-G25 VanDerWaalsContact C-N 3.28Å; S23-G25 PolarHBondContact O-N 3.15Å
24M54Low56.8Low153 Ų15368.8 Ų68.875%0.75437%0.374SS*.THydrogen-bonded Turntrans-71.4-18.1176.8-76.4-165.7159.900114.1W21 G22W21-M24 PolarHBondContact O-N 3.49Å; G22-M24 PolarHBondContact O-N 3.43Å
25G49.3Very low57.3Low56 Ų5671 Ų7158%0.57738%0.376SS*.THydrogen-bonded Turntrans-126.2-9.4-175.900000116.2S23S23-G25 VanDerWaalsContact C-N 3.28Å; S23-G25 PolarHBondContact O-N 3.15Å
26L49.9Very low57.4Low83 Ų8372.4 Ų72.444%0.43539%0.389SS..SBendtrans-117.9149.8-173-76.3167.8000113Y30L26-Y30 HydrophobicContact CB-CD1 4.47Å; L26-Y30 HydrophobicContact CB-CG 4.41Å
27L54.5Low57.6Low127 Ų12767.8 Ų67.867%0.66538%0.375SS*.  trans-50.3147.9-171.7-151.971.5000113.8S29 Y30L27-S29 PolarHBondContact O-N 3.4Å; L27-Y30 WeakPolarHBondContact O-CB 3.5Å; L27-Y30 PolarHBondContact O-N 3.29Å
28S57.2Low58Low92 Ų9265.1 Ų65.164%0.64336%0.361SS*.Hα-helixtrans-48.7-26.9-173.5-173.50000116.4
29S55.2Low58.5Low88 Ų8866.2 Ų66.262%0.61538%0.376SS*.Hα-helixtrans-69.7-31.7174.9-83.40000114.2L27 W32 S33L27-S29 PolarHBondContact O-N 3.4Å; S29-W32 PolarHBondContact O-N 3.06Å; S29-S33 PolarHBondContact O-N 3.44Å
30Y57.9Low58.7Low38 Ų3868 Ų6815%0.14939%0.386CS..Hα-helixtrans-68.4-37.4178.9-174.1-89.8000111.6L26 L27 S33 N34 D68L26-Y30 HydrophobicContact CB-CD1 4.47Å; L26-Y30 HydrophobicContact CB-CG 4.41Å; L27-Y30 WeakPolarHBondContact O-CB 3.5Å; L27-Y30 PolarHBondContact O-N 3.29Å; Y30-S33 PolarHBondContact O-OG 2.92Å; Y30-N34 WeakPolarHBondContact CD1-ND2 3.47Å; Y30-N34 VanDerWaalsContact CE1-ND2 3.29Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.08Å; Y30-N34 WeakPolarHBondContact O-CB 3.3Å; Y30-N34 PolarHBondContact O-N 3.48Å; Y30-N34 PolarHBondContact O-ND2 3.31Å; Y30-D68 HydrophobicContact CE2-CB 4.21Å; Y30-D68 WeakPolarHBondContact CE2-OD1 3.29Å; Y30-D68 PolarHBondContact OH-OD2 3.37Å
31A60.2Low58.8Low21 Ų2166 Ų6617%0.17438%0.375CS..Hα-helixtrans-63.3-44.2176.100000110.9S33 N34 F35A31-S33 PolarHBondContact O-N 3.31Å; A31-N34 PolarHBondContact O-N 3.32Å; A31-F35 HydrophobicContact CB-CD2 4.32Å; A31-F35 HydrophobicContact CB-CE2 4.45Å; A31-F35 WeakPolarHBondContact O-CB 3.46Å; A31-F35 WeakPolarHBondContact O-CD2 3.25Å; A31-F35 PolarHBondContact O-N 2.9Å
32W56Low59.7Low196 Ų19664.9 Ų64.974%0.74238%0.38SS*.Hα-helixtrans-62.2-44.5-176.8-102.776.6000113.7S29 S36S29-W32 PolarHBondContact O-N 3.06Å; W32-S36 WeakPolarHBondContact O-CB 3.41Å; W32-S36 PolarHBondContact O-N 3.39Å; W32-S36 PolarHBondContact O-OG 3.29Å
33S57.7Low60.3Low41 Ų4171.2 Ų71.229%0.28740%0.4SS..Hα-helixtrans-67.5-41.8178.358.30000112.2S29 Y30 A31 S36 V37S29-S33 PolarHBondContact O-N 3.44Å; Y30-S33 PolarHBondContact O-OG 2.92Å; A31-S33 PolarHBondContact O-N 3.31Å; S33-S36 WeakPolarHBondContact O-CB 3.32Å; S33-S36 PolarHBondContact O-N 3.03Å; S33-V37 PolarHBondContact O-N 3.05Å
34N61.4Low60.3Low14 Ų1469.4 Ų69.48%0.07539%0.388CS..Hα-helixtrans-72.7-35.9-177.6-75.9-80.5000112.8T19 Y30 A31 S36 V37 L38T19-N34 HydrophobicContact CG2-CB 3.45Å; T19-N34 VanDerWaalsContact CG2-CB 3.45Å; Y30-N34 WeakPolarHBondContact CD1-ND2 3.47Å; Y30-N34 VanDerWaalsContact CE1-ND2 3.29Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.08Å; Y30-N34 WeakPolarHBondContact O-CB 3.3Å; Y30-N34 PolarHBondContact O-N 3.48Å; Y30-N34 PolarHBondContact O-ND2 3.31Å; A31-N34 PolarHBondContact O-N 3.32Å; N34-S36 VanDerWaalsContact C-N 3.32Å; N34-V37 PolarHBondContact O-N 2.99Å; N34-L38 WeakPolarHBondContact O-CG 3.19Å; N34-L38 PolarHBondContact O-N 2.98Å; N34-L38 VanDerWaalsContact O-N 3.16Å
35F66.9Low60.7Low93 Ų9363.9 Ų63.941%0.40836%0.361SS..Hα-helixtrans-67.5-32.5171.7-83.9-68.3000112.7A31 L38 A39A31-F35 HydrophobicContact CB-CD2 4.32Å; A31-F35 HydrophobicContact CB-CE2 4.45Å; A31-F35 WeakPolarHBondContact O-CB 3.46Å; A31-F35 WeakPolarHBondContact O-CD2 3.25Å; A31-F35 PolarHBondContact O-N 2.9Å; F35-L38 HydrophobicContact CD1-CD1 4.2Å; F35-L38 PolarHBondContact O-N 2.75Å; F35-A39 PolarHBondContact O-N 3.43Å
36S65.9Low61.3Low64 Ų6465 Ų6545%0.44837%0.365SS..Hα-helixtrans-64.8-41.3176.6-580000111.9W32 S33 N34 A39 V40W32-S36 WeakPolarHBondContact O-CB 3.41Å; W32-S36 PolarHBondContact O-N 3.39Å; W32-S36 PolarHBondContact O-OG 3.29Å; S33-S36 WeakPolarHBondContact O-CB 3.32Å; S33-S36 PolarHBondContact O-N 3.03Å; N34-S36 VanDerWaalsContact C-N 3.32Å; S36-A39 WeakPolarHBondContact O-CB 3.25Å; S36-A39 PolarHBondContact O-N 2.91Å; S36-V40 PolarHBondContact O-N 3.45Å
37V65.4Low61.5Low26 Ų2666.1 Ų66.116%0.15837%0.368CS..Hα-helixtrans-69.4-34175.7170.70000111.9S33 N34 A39 V40 G41 F57 L61 T64S33-V37 PolarHBondContact O-N 3.05Å; N34-V37 PolarHBondContact O-N 2.99Å; V37-A39 VanDerWaalsContact C-N 3.33Å; V37-A39 PolarHBondContact O-N 3.43Å; V37-V40 PolarHBondContact O-N 3.23Å; V37-G41 PolarHBondContact O-N 2.99Å; V37-F57 HydrophobicContact CG1-CE2 4.35Å; V37-L61 HydrophobicContact CG1-CD2 4.34Å; V37-L61 HydrophobicContact CG1-CG 4.45Å; V37-T64 HydrophobicContact CB-CG2 4.36Å; V37-T64 HydrophobicContact CG2-CG2 3.64Å
38L65.6Low61.4Low13 Ų1365.8 Ų65.87%0.06836%0.358CS..Hα-helixtrans-63.5-37.8172.2-77.4165.4000112.5V12 H15 W16 T19 N34 F35 V40 G41 V42V12-L38 HydrophobicContact CG1-CD2 4.44Å; H15-L38 HydrophobicContact CB-CD2 4.24Å; W16-L38 HydrophobicContact CB-CD1 4.31Å; W16-L38 HydrophobicContact CB-CD2 3.87Å; T19-L38 HydrophobicContact CG2-CD1 3.91Å; N34-L38 WeakPolarHBondContact O-CG 3.19Å; N34-L38 PolarHBondContact O-N 2.98Å; N34-L38 VanDerWaalsContact O-N 3.16Å; F35-L38 HydrophobicContact CD1-CD1 4.2Å; F35-L38 PolarHBondContact O-N 2.75Å; L38-V40 VanDerWaalsContact C-N 3.33Å; L38-V40 PolarHBondContact O-N 3.35Å; L38-G41 CarbonylContact O-C 3.59Å; L38-G41 WeakPolarHBondContact O-CA 3.12Å; L38-G41 PolarHBondContact O-N 3.46Å; L38-G41 VanDerWaalsContact O-N 3.12Å; L38-V42 WeakPolarHBondContact O-CG2 3.32Å; L38-V42 PolarHBondContact O-N 3.5Å
39A67.3Low61.2Low64 Ų6469 Ų6953%0.52937%0.368SS..Hα-helixtrans-62-41.2175.200000111.8F35 S36 V37 G41 V42 W43F35-A39 PolarHBondContact O-N 3.43Å; S36-A39 WeakPolarHBondContact O-CB 3.25Å; S36-A39 PolarHBondContact O-N 2.91Å; V37-A39 VanDerWaalsContact C-N 3.33Å; V37-A39 PolarHBondContact O-N 3.43Å; A39-G41 VanDerWaalsContact C-N 3.32Å; A39-G41 PolarHBondContact O-N 3.44Å; A39-V42 PolarHBondContact O-N 2.98Å; A39-W43 PolarHBondContact O-N 2.93Å
40V65.5Low61.2Low52 Ų5266.8 Ų66.832%0.31535%0.352SS..Hα-helixtrans-65.8-35.4173.2-179.80000111.2S36 V37 L38 W43 A44S36-V40 PolarHBondContact O-N 3.45Å; V37-V40 PolarHBondContact O-N 3.23Å; L38-V40 VanDerWaalsContact C-N 3.33Å; L38-V40 PolarHBondContact O-N 3.35Å; V40-W43 WeakPolarHBondContact O-CB 3.38Å; V40-W43 PolarHBondContact O-N 3.14Å; V40-A44 PolarHBondContact O-N 3.44Å
41G61.7Low61.1Low0 Ų071.1 Ų71.10%038%0.377CS..Hα-helixtrans-64.7-38.7172.900000113.8V37 L38 A39 W43 A44 I45V37-G41 PolarHBondContact O-N 2.99Å; L38-G41 CarbonylContact O-C 3.59Å; L38-G41 WeakPolarHBondContact O-CA 3.12Å; L38-G41 PolarHBondContact O-N 3.46Å; L38-G41 VanDerWaalsContact O-N 3.12Å; A39-G41 VanDerWaalsContact C-N 3.32Å; A39-G41 PolarHBondContact O-N 3.44Å; G41-W43 VanDerWaalsContact C-N 3.33Å; G41-A44 PolarHBondContact O-N 3.34Å; G41-I45 WeakPolarHBondContact O-CG1 3.45Å; G41-I45 PolarHBondContact O-N 2.66Å
42V68.2Low60.7Low91 Ų9175.5 Ų75.555%0.55240%0.397SS*.Hα-helixtrans-66.3-37.9173.6174.10000110.8L38 A39 I45 A46L38-V42 WeakPolarHBondContact O-CG2 3.32Å; L38-V42 PolarHBondContact O-N 3.5Å; A39-V42 PolarHBondContact O-N 2.98Å; V42-I45 WeakPolarHBondContact O-CB 3.48Å; V42-I45 PolarHBondContact O-N 2.68Å; V42-A46 PolarHBondContact O-N 3.24Å; V42-A46 VanDerWaalsContact O-N 3.11Å
43W68.2Low60.7Low145 Ų14566.7 Ų66.755%0.54937%0.366SS..Hα-helixtrans-65-42.4173.8-175.516.2000112.3A39 V40 G41 I45 A46 Q47A39-W43 PolarHBondContact O-N 2.93Å; V40-W43 WeakPolarHBondContact O-CB 3.38Å; V40-W43 PolarHBondContact O-N 3.14Å; G41-W43 VanDerWaalsContact C-N 3.33Å; W43-I45 VanDerWaalsContact C-N 3.25Å; W43-I45 PolarHBondContact O-N 3.1Å; W43-A46 WeakPolarHBondContact O-CB 3.31Å; W43-A46 PolarHBondContact O-N 2.98Å; W43-Q47 PolarHBondContact O-N 2.94Å
44A58.5Low60.7Low1 Ų167.2 Ų67.21%0.00837%0.367CS..Hα-helixtrans-63.3-28.3173.700000113.2V40 G41 Q47 A53 F57V40-A44 PolarHBondContact O-N 3.44Å; G41-A44 PolarHBondContact O-N 3.34Å; A44-Q47 CarbonylContact O-C 3.58Å; A44-A53 HydrophobicContact CB-CB 4.49Å; A44-F57 HydrophobicContact CB-CB 4.2Å
45I62.3Low60.4Low37 Ų3770.8 Ų70.819%0.1939%0.386CS..Hα-helixtrans-71.4-35.6171.5-70.6165000111.8L8 K9 V12 G41 V42 W43 R48L8-I45 HydrophobicContact CD2-CG1 4.04Å; K9-I45 HydrophobicContact CG-CG2 4.36Å; V12-I45 HydrophobicContact CB-CD1 3.64Å; V12-I45 HydrophobicContact CG1-CD1 3.74Å; V12-I45 HydrophobicContact CG2-CD1 3.56Å; V12-I45 HydrophobicContact CG2-CG1 4.12Å; G41-I45 WeakPolarHBondContact O-CG1 3.45Å; G41-I45 PolarHBondContact O-N 2.66Å; V42-I45 WeakPolarHBondContact O-CB 3.48Å; V42-I45 PolarHBondContact O-N 2.68Å; W43-I45 VanDerWaalsContact C-N 3.25Å; W43-I45 PolarHBondContact O-N 3.1Å; I45-R48 VanDerWaalsContact O-CG 3.25Å; I45-R48 WeakPolarHBondContact O-CG 3.47Å; I45-R48 PolarHBondContact O-NE 3.32Å; I45-R48 VanDerWaalsContact O-NE 3.13Å
46A62.5Low59.9Low79 Ų7971.7 Ų71.765%0.65339%0.393SS*.Hα-helixtrans-73.5-33.7-178.500000112.4V42 W43V42-A46 PolarHBondContact O-N 3.24Å; V42-A46 VanDerWaalsContact O-N 3.11Å; W43-A46 WeakPolarHBondContact O-CB 3.31Å; W43-A46 PolarHBondContact O-N 2.98Å
47Q53.6Low59.6Low106 Ų10669.4 Ų69.450%0.49538%0.375SS..  trans-123.979.3177.7-78.7175.5-26.600111.4W43 A44 D49W43-Q47 PolarHBondContact O-N 2.94Å; A44-Q47 CarbonylContact O-C 3.58Å; Q47-D49 VanDerWaalsContact C-N 3.3Å; Q47-D49 PolarHBondContact O-N 3.19Å
48R52.9Low59.2Low120 Ų12072 Ų7245%0.45339%0.387SS..THydrogen-bonded Turntrans-76.3-16.4-176.2-55.5-172.1-173.3177.8-0.7114.5K9 I45 S50K9-R48 VanDerWaalsContact CE-NH2 3.29Å; I45-R48 VanDerWaalsContact O-CG 3.25Å; I45-R48 WeakPolarHBondContact O-CG 3.47Å; I45-R48 PolarHBondContact O-NE 3.32Å; I45-R48 VanDerWaalsContact O-NE 3.13Å; R48-S50 VanDerWaalsContact C-N 3.29Å
49D51.9Low58.6Low160 Ų16076.7 Ų76.786%0.85641%0.41SS*.THydrogen-bonded Turntrans-82.9-10.7-179.1-60.8-41.9000112.3Q47Q47-D49 VanDerWaalsContact C-N 3.3Å; Q47-D49 PolarHBondContact O-N 3.19Å
50S55.7Low58.1Low41 Ų4174.5 Ų74.529%0.28739%0.394SS..  trans-92.8107.7178.4137.20000110.5R48 D52 A53 V54R48-S50 VanDerWaalsContact C-N 3.29Å; S50-D52 PolarHBondContact O-N 3.29Å; S50-A53 PolarHBondContact O-N 3.3Å; S50-A53 WeakPolarHBondContact OG-CB 3.47Å; S50-A53 PolarHBondContact OG-N 2.88Å; S50-V54 PolarHBondContact O-N 3.32Å
51I56.3Low57.8Low130 Ų13073.4 Ų73.467%0.66739%0.387SS*.Hα-helixtrans-57.2-34.1171.7-74.596.1000111.3V54 L55I51-V54 PolarHBondContact O-N 3.16Å; I51-L55 HydrophobicContact CG2-CD1 3.78Å; I51-L55 HydrophobicContact CG2-CG 4.24Å; I51-L55 WeakPolarHBondContact O-CG 3.46Å; I51-L55 PolarHBondContact O-N 3.47Å
52D52Low57.3Low113 Ų11375.5 Ų75.560%0.60440%0.404SS*.Hα-helixtrans-67.3-44.8-177-157.519.2000112S50 V54 L55 M56S50-D52 PolarHBondContact O-N 3.29Å; D52-V54 VanDerWaalsContact C-N 3.28Å; D52-V54 PolarHBondContact O-N 3.3Å; D52-L55 PolarHBondContact O-N 3.12Å; D52-L55 VanDerWaalsContact O-N 3.15Å; D52-M56 WeakPolarHBondContact O-CG 3.4Å; D52-M56 PolarHBondContact O-N 3.04Å
53A55.1Low56.5Low11 Ų1175 Ų759%0.09140%0.401CS..Hα-helixtrans-60.5-35.7174.200000113.1A44 S50 F57A44-A53 HydrophobicContact CB-CB 4.49Å; S50-A53 PolarHBondContact O-N 3.3Å; S50-A53 WeakPolarHBondContact OG-CB 3.47Å; S50-A53 PolarHBondContact OG-N 2.88Å; A53-F57 WeakPolarHBondContact O-CB 3.38Å; A53-F57 PolarHBondContact O-N 3.47Å
54V58.2Low55.9Low51 Ų5168.6 Ų68.631%0.30938%0.378SS..Hα-helixtrans-70.7-40.2176.1178.20000110.8S50 I51 D52 F57 L58S50-V54 PolarHBondContact O-N 3.32Å; I51-V54 PolarHBondContact O-N 3.16Å; D52-V54 VanDerWaalsContact C-N 3.28Å; D52-V54 PolarHBondContact O-N 3.3Å; V54-F57 PolarHBondContact O-N 3.49Å; V54-L58 WeakPolarHBondContact O-CB 3.48Å; V54-L58 PolarHBondContact O-N 3.3Å
55L54.1Low55.6Low89 Ų8970.6 Ų70.647%0.46639%0.388SS..Hα-helixtrans-67.2-39.5175-73.3171.9000112.3I51 D52 F57 L58 M59I51-L55 HydrophobicContact CG2-CD1 3.78Å; I51-L55 HydrophobicContact CG2-CG 4.24Å; I51-L55 WeakPolarHBondContact O-CG 3.46Å; I51-L55 PolarHBondContact O-N 3.47Å; D52-L55 PolarHBondContact O-N 3.12Å; D52-L55 VanDerWaalsContact O-N 3.15Å; L55-F57 VanDerWaalsContact C-N 3.33Å; L55-F57 PolarHBondContact O-N 2.92Å; L55-L58 WeakPolarHBondContact O-CB 3.31Å; L55-L58 PolarHBondContact O-N 3.04Å; L55-M59 WeakPolarHBondContact O-CB 3.48Å; L55-M59 WeakPolarHBondContact O-CG 3.43Å; L55-M59 PolarHBondContact O-N 3.49Å
56M56.3Low55Low112 Ų11274.3 Ų74.355%0.55241%0.407SS*.Hα-helixtrans-64.5-37.9174.5-70.7-159.9102.300111.8D52 G60D52-M56 WeakPolarHBondContact O-CG 3.4Å; D52-M56 PolarHBondContact O-N 3.04Å; M56-G60 PolarHBondContact O-N 3.11Å
57F61.1Low54.4Low16 Ų1672.8 Ų72.87%0.0739%0.39CS..Hα-helixtrans-66.7-41.2172.8-179.2-115.7000112.1V12 V37 A44 A53 V54 L55 G60 L61V12-F57 HydrophobicContact CG2-CE1 4.32Å; V12-F57 HydrophobicContact CG2-CZ 3.97Å; V37-F57 HydrophobicContact CG1-CE2 4.35Å; A44-F57 HydrophobicContact CB-CB 4.2Å; A53-F57 WeakPolarHBondContact O-CB 3.38Å; A53-F57 PolarHBondContact O-N 3.47Å; V54-F57 PolarHBondContact O-N 3.49Å; L55-F57 VanDerWaalsContact C-N 3.33Å; L55-F57 PolarHBondContact O-N 2.92Å; F57-G60 PolarHBondContact O-N 3.45Å; F57-L61 HydrophobicContact CD1-CD1 4.09Å; F57-L61 HydrophobicContact CE1-CD1 3.59Å; F57-L61 HydrophobicContact CE1-CG 4.49Å; F57-L61 HydrophobicContact CE2-CD1 4.24Å; F57-L61 HydrophobicContact CE2-CG 4.31Å; F57-L61 HydrophobicContact CZ-CD1 3.67Å; F57-L61 HydrophobicContact CZ-CG 4.21Å; F57-L61 WeakPolarHBondContact O-CG 3.46Å; F57-L61 PolarHBondContact O-N 2.88Å
58L57.3Low54.3Low81 Ų8168.9 Ų68.942%0.42437%0.373SS..Hα-helixtrans-62.5-46.6175.9-169.599.6000111.8V54 L55 L61 A62 V106V54-L58 WeakPolarHBondContact O-CB 3.48Å; V54-L58 PolarHBondContact O-N 3.3Å; L55-L58 WeakPolarHBondContact O-CB 3.31Å; L55-L58 PolarHBondContact O-N 3.04Å; L58-L61 PolarHBondContact O-N 3.48Å; L58-A62 PolarHBondContact O-N 3.36Å; L58-V106 HydrophobicContact CD1-CG1 4.48Å
59M51.4Low54.2Low111 Ų11167.5 Ų67.555%0.54737%0.373SS..Hα-helixtrans-65.7-40.2176.3-74-68.6-72.300111.3L55 L61 A62 V63L55-M59 WeakPolarHBondContact O-CB 3.48Å; L55-M59 WeakPolarHBondContact O-CG 3.43Å; L55-M59 PolarHBondContact O-N 3.49Å; M59-L61 VanDerWaalsContact C-N 3.31Å; M59-L61 PolarHBondContact O-N 3.05Å; M59-A62 PolarHBondContact O-N 3.25Å; M59-A62 VanDerWaalsContact O-N 3.17Å; M59-V63 VanDerWaalsContact O-CG2 3.31Å; M59-V63 WeakPolarHBondContact O-CG2 3.3Å; M59-V63 PolarHBondContact O-N 3.13Å
60G56.5Low54.1Low19 Ų1963.7 Ų63.720%0.19636%0.356CS..Hα-helixtrans-60.1-40.1174.400000112.6M56 F57 T64M56-G60 PolarHBondContact O-N 3.11Å; F57-G60 PolarHBondContact O-N 3.45Å; G60-T64 PolarHBondContact O-N 3.36Å; G60-T64 PolarHBondContact O-OG1 2.87Å
61L61Low53.9Low29 Ų2965.3 Ų65.315%0.15236%0.359CS..Hα-helixtrans-66.2-41.8172.2-78.7171.5000112.5H15 V37 F57 L58 M59 V63 T64 I65H15-L61 WeakPolarHBondContact CD2-CD2 3.28Å; H15-L61 WeakPolarHBondContact NE2-CD2 3.09Å; V37-L61 HydrophobicContact CG1-CD2 4.34Å; V37-L61 HydrophobicContact CG1-CG 4.45Å; F57-L61 HydrophobicContact CD1-CD1 4.09Å; F57-L61 HydrophobicContact CE1-CD1 3.59Å; F57-L61 HydrophobicContact CE1-CG 4.49Å; F57-L61 HydrophobicContact CE2-CD1 4.24Å; F57-L61 HydrophobicContact CE2-CG 4.31Å; F57-L61 HydrophobicContact CZ-CD1 3.67Å; F57-L61 HydrophobicContact CZ-CG 4.21Å; F57-L61 WeakPolarHBondContact O-CG 3.46Å; F57-L61 PolarHBondContact O-N 2.88Å; L58-L61 PolarHBondContact O-N 3.48Å; M59-L61 VanDerWaalsContact C-N 3.31Å; M59-L61 PolarHBondContact O-N 3.05Å; L61-V63 PolarHBondContact O-N 3.49Å; L61-T64 VanDerWaalsContact CA-OG1 3.31Å; L61-T64 WeakPolarHBondContact CA-OG1 3.23Å; L61-T64 PolarHBondContact O-N 3.1Å; L61-T64 PolarHBondContact O-OG1 3.23Å; L61-T64 VanDerWaalsContact O-OG1 3.1Å; L61-I65 VanDerWaalsContact O-CD1 3.27Å; L61-I65 WeakPolarHBondContact O-CD1 3.13Å; L61-I65 WeakPolarHBondContact O-CG1 3.27Å; L61-I65 PolarHBondContact O-N 3.46Å
62A50.7Low53.7Low44 Ų4463.7 Ų63.736%0.36435%0.347SS..Hα-helixtrans-63-40.8176.500000112.5L58 M59 I65 L66L58-A62 PolarHBondContact O-N 3.36Å; M59-A62 PolarHBondContact O-N 3.25Å; M59-A62 VanDerWaalsContact O-N 3.17Å; A62-I65 WeakPolarHBondContact O-CB 3.38Å; A62-I65 PolarHBondContact O-N 3.24Å; A62-L66 PolarHBondContact O-N 2.84Å; A62-L66 VanDerWaalsContact O-N 3.14Å
63V50.4Low53.5Low81 Ų8161.2 Ų61.249%0.49135%0.348SS..Hα-helixtrans-71.1-39.3178.7172.60000111.6M59 L61 I65 L66 T67M59-V63 VanDerWaalsContact O-CG2 3.31Å; M59-V63 WeakPolarHBondContact O-CG2 3.3Å; M59-V63 PolarHBondContact O-N 3.13Å; L61-V63 PolarHBondContact O-N 3.49Å; V63-I65 VanDerWaalsContact C-N 3.34Å; V63-L66 PolarHBondContact O-N 3.37Å; V63-T67 WeakPolarHBondContact O-CB 3.49Å; V63-T67 PolarHBondContact O-N 3.47Å; V63-T67 PolarHBondContact O-OG1 2.93Å
64T55.2Low53Low9 Ų966.7 Ų66.76%0.05538%0.375CS..Hα-helixtrans-65.5-38.2173.930.90000111.4V37 G60 L61 L66 T67 D68V37-T64 HydrophobicContact CB-CG2 4.36Å; V37-T64 HydrophobicContact CG2-CG2 3.64Å; G60-T64 PolarHBondContact O-N 3.36Å; G60-T64 PolarHBondContact O-OG1 2.87Å; L61-T64 VanDerWaalsContact CA-OG1 3.31Å; L61-T64 WeakPolarHBondContact CA-OG1 3.23Å; L61-T64 PolarHBondContact O-N 3.1Å; L61-T64 PolarHBondContact O-OG1 3.23Å; L61-T64 VanDerWaalsContact O-OG1 3.1Å; T64-L66 PolarHBondContact O-N 3.32Å; T64-T67 PolarHBondContact O-N 2.89Å; T64-D68 WeakPolarHBondContact O-CB 3.36Å; T64-D68 PolarHBondContact O-N 3.25Å
65I53.8Low52.7Low44 Ų4471 Ų7123%0.22639%0.389CS..Hα-helixtrans-56.4-50.1171.9-70160.7000112L61 A62 V63 T67 D68 I69 K99L61-I65 VanDerWaalsContact O-CD1 3.27Å; L61-I65 WeakPolarHBondContact O-CD1 3.13Å; L61-I65 WeakPolarHBondContact O-CG1 3.27Å; L61-I65 PolarHBondContact O-N 3.46Å; A62-I65 WeakPolarHBondContact O-CB 3.38Å; A62-I65 PolarHBondContact O-N 3.24Å; V63-I65 VanDerWaalsContact C-N 3.34Å; I65-T67 VanDerWaalsContact C-N 3.32Å; I65-T67 PolarHBondContact O-N 3.4Å; I65-D68 PolarHBondContact O-N 3.47Å; I65-I69 HydrophobicContact CG2-CD1 3.82Å; I65-I69 WeakPolarHBondContact O-CD1 3.48Å; I65-I69 VanDerWaalsContact O-CG1 3.23Å; I65-I69 WeakPolarHBondContact O-CG1 3.36Å; I65-I69 PolarHBondContact O-N 3.05Å; I65-K99 HydrophobicContact CD1-CB 4.35Å; I65-K99 HydrophobicContact CD1-CD 3.51Å; I65-K99 HydrophobicContact CD1-CG 4.08Å; I65-K99 HydrophobicContact CG1-CD 3.57Å; I65-K99 VanDerWaalsContact CG1-CE 3.48Å
66L50.1Low52.3Low114 Ų11474 Ų7460%0.59740%0.396SS*.Hα-helixtrans-61.8-42178.2-87.1161000111.8A62 V63 T64 I69 V70A62-L66 PolarHBondContact O-N 2.84Å; A62-L66 VanDerWaalsContact O-N 3.14Å; V63-L66 PolarHBondContact O-N 3.37Å; T64-L66 PolarHBondContact O-N 3.32Å; L66-I69 PolarHBondContact O-N 3.03Å; L66-V70 WeakPolarHBondContact O-CG2 3.36Å; L66-V70 PolarHBondContact O-N 2.86Å; L66-V70 VanDerWaalsContact O-N 3.1Å
67T48.6Very low51.8Low47 Ų4773.3 Ų73.329%0.28840%0.399SS..Hα-helixtrans-67-39.8-179.6-53.90000111.3V63 T64 I65 V70 H71V63-T67 WeakPolarHBondContact O-CB 3.49Å; V63-T67 PolarHBondContact O-N 3.47Å; V63-T67 PolarHBondContact O-OG1 2.93Å; T64-T67 PolarHBondContact O-N 2.89Å; I65-T67 VanDerWaalsContact C-N 3.32Å; I65-T67 PolarHBondContact O-N 3.4Å; T67-V70 PolarHBondContact O-N 3.17Å; T67-H71 PolarHBondContact O-N 3.39Å; T67-H71 PolarHBondContact O-ND1 3.11Å
68D50.8Low51.3Low25 Ų2577.7 Ų77.713%0.13443%0.43CS..Hα-helixtrans-67.3-39.8177.8-65.2-8.2000111.4Y30 T64 I65 V70 H71 F72Y30-D68 HydrophobicContact CE2-CB 4.21Å; Y30-D68 WeakPolarHBondContact CE2-OD1 3.29Å; Y30-D68 PolarHBondContact OH-OD2 3.37Å; T64-D68 WeakPolarHBondContact O-CB 3.36Å; T64-D68 PolarHBondContact O-N 3.25Å; I65-D68 PolarHBondContact O-N 3.47Å; D68-V70 VanDerWaalsContact C-N 3.35Å; D68-V70 PolarHBondContact O-N 2.82Å; D68-H71 PolarHBondContact O-N 2.82Å; D68-F72 VanDerWaalsContact O-CB 3.29Å; D68-F72 WeakPolarHBondContact O-CB 3.43Å; D68-F72 PolarHBondContact O-N 2.78Å
69I52Low50.9Low90 Ų9081.1 Ų81.146%0.46244%0.443SS..Hα-helixtrans-61.3-43.3174.5-69.5164.1000110.9I65 L66 G73I65-I69 HydrophobicContact CG2-CD1 3.82Å; I65-I69 WeakPolarHBondContact O-CD1 3.48Å; I65-I69 VanDerWaalsContact O-CG1 3.23Å; I65-I69 WeakPolarHBondContact O-CG1 3.36Å; I65-I69 PolarHBondContact O-N 3.05Å; L66-I69 PolarHBondContact O-N 3.03Å; I69-G73 PolarHBondContact O-N 2.95Å
70V48.7Very low50.7Low81 Ų8183.3 Ų83.349%0.49146%0.457SS..Hα-helixtrans-67.9-40.9178.41720000111.3L66 T67 D68 G73 I74L66-V70 WeakPolarHBondContact O-CG2 3.36Å; L66-V70 PolarHBondContact O-N 2.86Å; L66-V70 VanDerWaalsContact O-N 3.1Å; T67-V70 PolarHBondContact O-N 3.17Å; D68-V70 VanDerWaalsContact C-N 3.35Å; D68-V70 PolarHBondContact O-N 2.82Å; V70-G73 PolarHBondContact O-N 2.82Å; V70-I74 HydrophobicContact CG1-CD1 3.69Å; V70-I74 WeakPolarHBondContact O-CB 3.29Å; V70-I74 WeakPolarHBondContact O-CG1 3.48Å; V70-I74 PolarHBondContact O-N 2.85Å
71H52.8Low50.3Low75 Ų7589.6 Ų89.635%0.34749%0.485SS..Hα-helixtrans-66.1-42.6176.4-79.376.2000111.7T67 D68 G73 I74 F75T67-H71 PolarHBondContact O-N 3.39Å; T67-H71 PolarHBondContact O-ND1 3.11Å; D68-H71 PolarHBondContact O-N 2.82Å; H71-G73 VanDerWaalsContact C-N 3.3Å; H71-G73 PolarHBondContact O-N 3.17Å; H71-I74 PolarHBondContact O-N 3.14Å; H71-F75 WeakPolarHBondContact O-CB 3.36Å; H71-F75 PolarHBondContact O-N 3.41Å
72F52.7Low49.7Very low95 Ų9592.6 Ų92.642%0.41750%0.504SS..Hα-helixtrans-66.6-33.2175.7-153.6-92.4000111.8D68 Y76 A89D68-F72 VanDerWaalsContact O-CB 3.29Å; D68-F72 WeakPolarHBondContact O-CB 3.43Å; D68-F72 PolarHBondContact O-N 2.78Å; F72-Y76 HydrophobicContact CD1-CD2 4.08Å; F72-Y76 HydrophobicContact CD1-CE2 4.48Å; F72-Y76 AromaticContact CE1-CD2 3.59Å; F72-Y76 HydrophobicContact CE1-CD2 3.59Å; F72-Y76 AromaticContact CE1-CE2 3.56Å; F72-Y76 HydrophobicContact CE1-CE2 3.56Å; F72-Y76 AromaticContact CZ-CD2 3.85Å; F72-Y76 HydrophobicContact CZ-CD2 3.85Å; F72-Y76 AromaticContact CZ-CE2 3.58Å; F72-Y76 HydrophobicContact CZ-CE2 3.58Å; F72-Y76 WeakPolarHBondContact O-CB 3.01Å; F72-A89 HydrophobicContact CE2-CB 4.45Å; F72-A89 HydrophobicContact CZ-CB 4.24Å
73G46.7Very low49.6Very low62 Ų6294.5 Ų94.564%0.63952%0.52SS*.Hα-helixtrans-73.4-28.417600000114.6I69 V70 H71I69-G73 PolarHBondContact O-N 2.95Å; V70-G73 PolarHBondContact O-N 2.82Å; H71-G73 VanDerWaalsContact C-N 3.3Å; H71-G73 PolarHBondContact O-N 3.17Å
74I44.1Very low49.4Very low126 Ų12695.4 Ų95.465%0.64653%0.525SS*.Hα-helixtrans-92.1-37.9-178.3-71.5171000112.3V70 H71V70-I74 HydrophobicContact CG1-CD1 3.69Å; V70-I74 WeakPolarHBondContact O-CB 3.29Å; V70-I74 WeakPolarHBondContact O-CG1 3.48Å; V70-I74 PolarHBondContact O-N 2.85Å; H71-I74 PolarHBondContact O-N 3.14Å
75F52.5Low49.2Very low140 Ų14097.9 Ų97.961%0.61454%0.543SS*.SBendtrans-98.920.5-172.4-87.7-85.5000114.8H71 P77H71-F75 WeakPolarHBondContact O-CB 3.36Å; H71-F75 PolarHBondContact O-N 3.41Å; F75-P77 VanDerWaalsContact C-CD 3.46Å; F75-P77 WeakPolarHBondContact O-CD 3.49Å
76Y46.3Very low49.2Very low153 Ų15397.3 Ų97.360%0.655%0.548SS*.  trans-95.488.7177.8-152.5-90.3000111.8F72F72-Y76 HydrophobicContact CD1-CD2 4.08Å; F72-Y76 HydrophobicContact CD1-CE2 4.48Å; F72-Y76 AromaticContact CE1-CD2 3.59Å; F72-Y76 HydrophobicContact CE1-CD2 3.59Å; F72-Y76 AromaticContact CE1-CE2 3.56Å; F72-Y76 HydrophobicContact CE1-CE2 3.56Å; F72-Y76 AromaticContact CZ-CD2 3.85Å; F72-Y76 HydrophobicContact CZ-CD2 3.85Å; F72-Y76 AromaticContact CZ-CE2 3.58Å; F72-Y76 HydrophobicContact CZ-CE2 3.58Å; F72-Y76 WeakPolarHBondContact O-CB 3.01Å
77P45Very low49.2Very low97 Ų9798.5 Ų98.563%0.6355%0.549SS*.  trans-72.9134.5164.429.5-31.3000109.3F75 Q79F75-P77 VanDerWaalsContact C-CD 3.46Å; F75-P77 WeakPolarHBondContact O-CD 3.49Å; P77-Q79 PolarHBondContact O-N 3.04Å
78P51.9Low49.4Very low108 Ų10897.4 Ų97.470%0.70154%0.543SS*.SBendtrans-76.720.2-172.927-28.1000114.7
79Q48.8Very low49.6Very low153 Ų15397.1 Ų97.172%0.71554%0.544SS*.  trans-132.2125.8-178.6-87.583.313.600113.5P77P77-Q79 PolarHBondContact O-N 3.04Å
80L47.2Very low49.8Very low158 Ų15894.2 Ų94.283%0.82754%0.537SS*.  trans94.885.8155.7-138.669.2000116.6V82L80-V82 VanDerWaalsContact C-N 3.33Å; L80-V82 PolarHBondContact O-N 3.27Å
81L46.8Very low50Low151 Ų15192.4 Ų92.479%0.79152%0.523SS*.  trans-64.681.6172-145.4127.8000110.7
82V48.4Very low50.1Low92 Ų9290.4 Ų90.456%0.55852%0.52SS*.  trans-74.5124.1162.3172.70000106.9L80 V84 S85L80-V82 VanDerWaalsContact C-N 3.33Å; L80-V82 PolarHBondContact O-N 3.27Å; V82-V84 PolarHBondContact O-N 3.4Å; V82-S85 WeakPolarHBondContact O-CB 3.16Å; V82-S85 PolarHBondContact O-N 2.93Å; V82-S85 PolarHBondContact O-OG 3.38Å
83A48.7Very low50.5Low83 Ų8390.4 Ų90.469%0.68652%0.523SS*.Hα-helixtrans-47.5-25.5-169.200000116F87A83-F87 PolarHBondContact O-N 3.4Å
84V46.8Very low50.9Low101 Ų10191.8 Ų91.861%0.61252%0.515SS*.Hα-helixtrans-71.5-38.1175.2179.60000112.8V82 S88V82-V84 PolarHBondContact O-N 3.4Å; V84-S88 PolarHBondContact O-N 3.4Å; V84-S88 VanDerWaalsContact O-N 3.07Å
85S51.6Low51.5Low61 Ų6186.9 Ų86.943%0.42749%0.492SS..Hα-helixtrans-72-37.9179.965.60000112.5V82 S88 A89V82-S85 WeakPolarHBondContact O-CB 3.16Å; V82-S85 PolarHBondContact O-N 2.93Å; V82-S85 PolarHBondContact O-OG 3.38Å; S85-S88 PolarHBondContact O-N 2.8Å; S85-A89 VanDerWaalsContact O-CB 3.28Å; S85-A89 WeakPolarHBondContact O-CB 3.5Å; S85-A89 PolarHBondContact O-N 2.9Å
86G53.3Low51.7Low32 Ų3284.7 Ų84.733%0.3349%0.486SS..Hα-helixtrans-68-36.1174.800000112.7G90G86-G90 PolarHBondContact O-N 3.37Å
87F48.9Very low52.1Low138 Ų13882.6 Ų82.661%0.60549%0.485SS*.Hα-helixtrans-67-45.9174.2-177.3-101.6000111.8A83 G90 M91A83-F87 PolarHBondContact O-N 3.4Å; F87-G90 PolarHBondContact O-N 3Å; F87-M91 HydrophobicContact CD1-CG 4.42Å; F87-M91 HydrophobicContact CE1-CG 4.08Å; F87-M91 HydrophobicContact CZ-CG 4.19Å; F87-M91 HydrophobicContact CZ-SD 4.43Å; F87-M91 WeakPolarHBondContact O-CG 3.44Å; F87-M91 PolarHBondContact O-N 2.93Å
88S53.2Low52.7Low24 Ų2482.4 Ų82.417%0.16848%0.478CS..Hα-helixtrans-62.5-43.3175.1178.50000112.1V84 S85 G90 M91 A92V84-S88 PolarHBondContact O-N 3.4Å; V84-S88 VanDerWaalsContact O-N 3.07Å; S85-S88 PolarHBondContact O-N 2.8Å; S88-G90 VanDerWaalsContact C-N 3.33Å; S88-G90 PolarHBondContact O-N 3.32Å; S88-M91 PolarHBondContact O-N 3.48Å; S88-A92 WeakPolarHBondContact O-CB 3.47Å; S88-A92 PolarHBondContact O-N 2.95Å
89A54.3Low52.7Low20 Ų2079.1 Ų79.117%0.16545%0.453CS..Hα-helixtrans-61-40.9173.900000111.9F72 S85 A92 I93F72-A89 HydrophobicContact CE2-CB 4.45Å; F72-A89 HydrophobicContact CZ-CB 4.24Å; S85-A89 VanDerWaalsContact O-CB 3.28Å; S85-A89 WeakPolarHBondContact O-CB 3.5Å; S85-A89 PolarHBondContact O-N 2.9Å; A89-A92 PolarHBondContact O-N 2.98Å; A89-I93 WeakPolarHBondContact O-CD1 3.31Å; A89-I93 WeakPolarHBondContact O-CG1 3.36Å; A89-I93 PolarHBondContact O-N 3.32Å
90G56.5Low52.9Low29 Ų2975.6 Ų75.630%0.29944%0.444SS..Hα-helixtrans-61.6-43173.700000112.8G86 F87 S88 I93 L94G86-G90 PolarHBondContact O-N 3.37Å; F87-G90 PolarHBondContact O-N 3Å; S88-G90 VanDerWaalsContact C-N 3.33Å; S88-G90 PolarHBondContact O-N 3.32Å; G90-I93 PolarHBondContact O-N 2.97Å; G90-L94 WeakPolarHBondContact O-CB 3.4Å; G90-L94 WeakPolarHBondContact O-CG 3.46Å; G90-L94 PolarHBondContact O-N 3.11Å
91M54.1Low53.2Low42 Ų4271.5 Ų71.521%0.20743%0.425CS..Hα-helixtrans-68-34.9175.6-68-53.2-57.800112.4L18 W21 F87 S88 L94 S95L18-M91 HydrophobicContact CD2-CE 4.31Å; W21-M91 HydrophobicContact CE3-CE 3.81Å; W21-M91 HydrophobicContact CZ3-CE 3.67Å; F87-M91 HydrophobicContact CD1-CG 4.42Å; F87-M91 HydrophobicContact CE1-CG 4.08Å; F87-M91 HydrophobicContact CZ-CG 4.19Å; F87-M91 HydrophobicContact CZ-SD 4.43Å; F87-M91 WeakPolarHBondContact O-CG 3.44Å; F87-M91 PolarHBondContact O-N 2.93Å; S88-M91 PolarHBondContact O-N 3.48Å; M91-L94 PolarHBondContact O-N 2.96Å; M91-L94 HydrophobicContact SD-CD1 4.01Å; M91-S95 WeakPolarHBondContact O-CB 3.5Å; M91-S95 PolarHBondContact O-N 3.38Å
92A54.8Low53.6Low34 Ų3466.1 Ų66.128%0.28140%0.4SS..Hα-helixtrans-65.8-42.8173.600000111.5S88 A89 S95 L96S88-A92 WeakPolarHBondContact O-CB 3.47Å; S88-A92 PolarHBondContact O-N 2.95Å; A89-A92 PolarHBondContact O-N 2.98Å; A92-S95 WeakPolarHBondContact O-CB 3.3Å; A92-S95 PolarHBondContact O-N 3.47Å; A92-S95 PolarHBondContact O-OG 3.47Å; A92-L96 WeakPolarHBondContact O-CB 3.34Å; A92-L96 PolarHBondContact O-N 2.98Å
93I59.8Low54Low95 Ų9565.5 Ų65.549%0.48740%0.399SS..Hα-helixtrans-64-42.9175-68.6161000111A89 G90 S95 L96 L97A89-I93 WeakPolarHBondContact O-CD1 3.31Å; A89-I93 WeakPolarHBondContact O-CG1 3.36Å; A89-I93 PolarHBondContact O-N 3.32Å; G90-I93 PolarHBondContact O-N 2.97Å; I93-S95 VanDerWaalsContact C-N 3.31Å; I93-S95 PolarHBondContact O-N 3.3Å; I93-L96 WeakPolarHBondContact O-CA 3.42Å; I93-L96 VanDerWaalsContact O-CB 3.29Å; I93-L96 WeakPolarHBondContact O-CB 3.4Å; I93-L96 PolarHBondContact O-N 2.95Å; I93-L96 VanDerWaalsContact O-N 3.11Å; I93-L97 HydrophobicContact CG2-CD1 4.3Å; I93-L97 PolarHBondContact O-N 3.23Å
94L55.7Low54.6Low90 Ų9067.4 Ų67.447%0.47139%0.392SS..Hα-helixtrans-62-40173.9-79.6165.7000111.7G90 M91 L96 L97 L98G90-L94 WeakPolarHBondContact O-CB 3.4Å; G90-L94 WeakPolarHBondContact O-CG 3.46Å; G90-L94 PolarHBondContact O-N 3.11Å; M91-L94 PolarHBondContact O-N 2.96Å; M91-L94 HydrophobicContact SD-CD1 4.01Å; L94-L96 PolarHBondContact O-N 2.64Å; L94-L97 PolarHBondContact O-N 2.74Å; L94-L98 WeakPolarHBondContact O-CB 3.4Å; L94-L98 WeakPolarHBondContact O-CD1 3.29Å; L94-L98 PolarHBondContact O-N 3.23Å
95S57.4Low55.2Low24 Ų2466.9 Ų66.917%0.16838%0.381CS..Hα-helixtrans-60-37.717392.50000112M91 A92 I93 L98 K99M91-S95 WeakPolarHBondContact O-CB 3.5Å; M91-S95 PolarHBondContact O-N 3.38Å; A92-S95 WeakPolarHBondContact O-CB 3.3Å; A92-S95 PolarHBondContact O-N 3.47Å; A92-S95 PolarHBondContact O-OG 3.47Å; I93-S95 VanDerWaalsContact C-N 3.31Å; I93-S95 PolarHBondContact O-N 3.3Å; S95-L98 PolarHBondContact O-N 3.4Å; S95-K99 VanDerWaalsContact O-CD 3.3Å; S95-K99 WeakPolarHBondContact O-CD 3.48Å; S95-K99 VanDerWaalsContact O-CG 3.3Å; S95-K99 WeakPolarHBondContact O-CG 3.42Å; S95-K99 PolarHBondContact O-N 3.42Å
96L56.3Low55.7Low93 Ų9367.1 Ų67.149%0.48738%0.38SS..Hα-helixtrans-69.7-37.7-179.7-141.4150.8000111.2A92 I93 L94 P100A92-L96 WeakPolarHBondContact O-CB 3.34Å; A92-L96 PolarHBondContact O-N 2.98Å; I93-L96 WeakPolarHBondContact O-CA 3.42Å; I93-L96 VanDerWaalsContact O-CB 3.29Å; I93-L96 WeakPolarHBondContact O-CB 3.4Å; I93-L96 PolarHBondContact O-N 2.95Å; I93-L96 VanDerWaalsContact O-N 3.11Å; L94-L96 PolarHBondContact O-N 2.64Å; L96-P100 WeakPolarHBondContact O-CD 3.32Å
97L55.6Low55.8Low109 Ų10971.8 Ų71.857%0.57139%0.388SS*.Hα-helixtrans-73.9-30.1174.7-83.5161.9000113.6I93 L94 K99 P100I93-L97 HydrophobicContact CG2-CD1 4.3Å; I93-L97 PolarHBondContact O-N 3.23Å; L94-L97 PolarHBondContact O-N 2.74Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 2.92Å; L97-P100 VanDerWaalsContact O-CD 3.28Å; L97-P100 WeakPolarHBondContact O-CD 3.43Å; L97-P100 VanDerWaalsContact O-CG 3.31Å; L97-P100 WeakPolarHBondContact O-CG 3.23Å
98L56.8Low56.1Low93 Ų9367.3 Ų67.349%0.48737%0.37SS..Hα-helixtrans-74.6-19.6178.3-86.1155.3000113.5L94 S95 S102L94-L98 WeakPolarHBondContact O-CB 3.4Å; L94-L98 WeakPolarHBondContact O-CD1 3.29Å; L94-L98 PolarHBondContact O-N 3.23Å; S95-L98 PolarHBondContact O-N 3.4Å; L98-S102 WeakPolarHBondContact O-CB 3.27Å; L98-S102 PolarHBondContact O-N 2.95Å; L98-S102 PolarHBondContact O-OG 3.49Å
99K52.2Low56.2Low39 Ų3970.1 Ų70.117%0.1738%0.381CS..Hα-helixtrans-70.8-45.6-179.5-78160165178.10114.6I65 S95 L97 V101 S102 C103I65-K99 HydrophobicContact CD1-CB 4.35Å; I65-K99 HydrophobicContact CD1-CD 3.51Å; I65-K99 HydrophobicContact CD1-CG 4.08Å; I65-K99 HydrophobicContact CG1-CD 3.57Å; I65-K99 VanDerWaalsContact CG1-CE 3.48Å; S95-K99 VanDerWaalsContact O-CD 3.3Å; S95-K99 WeakPolarHBondContact O-CD 3.48Å; S95-K99 VanDerWaalsContact O-CG 3.3Å; S95-K99 WeakPolarHBondContact O-CG 3.42Å; S95-K99 PolarHBondContact O-N 3.42Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 2.92Å; K99-V101 VanDerWaalsContact C-N 3.3Å; K99-V101 PolarHBondContact O-N 3.38Å; K99-S102 PolarHBondContact O-N 3.32Å; K99-C103 VanDerWaalsContact O-CB 3.25Å; K99-C103 WeakPolarHBondContact O-CB 3.37Å; K99-C103 PolarHBondContact O-N 2.94Å
100P51.8Low56.3Low80 Ų8073.9 Ų73.952%0.51939%0.391SS..Hα-helixtrans-65.5-33.5172.722.8-32.5000112.3L96 L97 C103 F104L96-P100 WeakPolarHBondContact O-CD 3.32Å; L97-P100 VanDerWaalsContact O-CD 3.28Å; L97-P100 WeakPolarHBondContact O-CD 3.43Å; L97-P100 VanDerWaalsContact O-CG 3.31Å; L97-P100 WeakPolarHBondContact O-CG 3.23Å; P100-C103 PolarHBondContact O-N 3.18Å; P100-F104 VanDerWaalsContact O-CB 3.31Å; P100-F104 WeakPolarHBondContact O-CB 3.36Å; P100-F104 PolarHBondContact O-N 3.3Å
101V55.1Low56.3Low72 Ų7280.5 Ų80.544%0.43641%0.407SS..Hα-helixtrans-65.3-48.1174.8179.10000110.3K99 C103 F104 F105K99-V101 VanDerWaalsContact C-N 3.3Å; K99-V101 PolarHBondContact O-N 3.38Å; V101-C103 PolarHBondContact O-N 3.48Å; V101-F104 WeakPolarHBondContact O-CB 3.4Å; V101-F104 PolarHBondContact O-N 3.46Å; V101-F105 HydrophobicContact CG1-CD2 3.84Å; V101-F105 HydrophobicContact CG1-CE2 3.6Å; V101-F105 WeakPolarHBondContact O-CD2 3.33Å; V101-F105 PolarHBondContact O-N 2.91Å
102S54.5Low56.1Low38 Ų3884 Ų8427%0.26642%0.423SS..Hα-helixtrans-64.1-39.5176.5-61.60000112.3L98 K99 F104 F105 V106L98-S102 WeakPolarHBondContact O-CB 3.27Å; L98-S102 PolarHBondContact O-N 2.95Å; L98-S102 PolarHBondContact O-OG 3.49Å; K99-S102 PolarHBondContact O-N 3.32Å; S102-F104 VanDerWaalsContact C-N 3.33Å; S102-F104 PolarHBondContact O-N 2.92Å; S102-F105 PolarHBondContact O-N 3.02Å; S102-V106 WeakPolarHBondContact O-CG2 3.21Å; S102-V106 PolarHBondContact O-N 3.41Å
103C57Low55.9Low78 Ų7892.3 Ų92.353%0.52745%0.447SS..Hα-helixtrans-61.1-41.8174.2-1750000111.6K99 P100 V101 V106 Y107K99-C103 VanDerWaalsContact O-CB 3.25Å; K99-C103 WeakPolarHBondContact O-CB 3.37Å; K99-C103 PolarHBondContact O-N 2.94Å; P100-C103 PolarHBondContact O-N 3.18Å; V101-C103 PolarHBondContact O-N 3.48Å; C103-V106 PolarHBondContact O-N 2.81Å; C103-Y107 VanDerWaalsContact O-CB 3.3Å; C103-Y107 WeakPolarHBondContact O-CB 3.48Å; C103-Y107 PolarHBondContact O-N 2.86Å
104F61.8Low55.6Low123 Ų12390.5 Ų90.554%0.53945%0.452SS..Hα-helixtrans-64.5-42.5177.1-173.8-99.6000111.6P100 V101 S102 Y107 Q108P100-F104 VanDerWaalsContact O-CB 3.31Å; P100-F104 WeakPolarHBondContact O-CB 3.36Å; P100-F104 PolarHBondContact O-N 3.3Å; V101-F104 WeakPolarHBondContact O-CB 3.4Å; V101-F104 PolarHBondContact O-N 3.46Å; S102-F104 VanDerWaalsContact C-N 3.33Å; S102-F104 PolarHBondContact O-N 2.92Å; F104-Y107 PolarHBondContact O-N 3.43Å; F104-Q108 HydrophobicContact CD1-CG 4.17Å; F104-Q108 HydrophobicContact CE1-CG 3.92Å; F104-Q108 HydrophobicContact CZ-CG 4.23Å; F104-Q108 WeakPolarHBondContact O-CG 2.87Å; F104-Q108 PolarHBondContact O-N 3.37Å
105F58.6Low55.2Low91 Ų9187.1 Ų87.140%0.39944%0.439SS..Hα-helixtrans-65.7-40.4176.5-81.5-69.8000113.1V101 S102 Q108 M109V101-F105 HydrophobicContact CG1-CD2 3.84Å; V101-F105 HydrophobicContact CG1-CE2 3.6Å; V101-F105 WeakPolarHBondContact O-CD2 3.33Å; V101-F105 PolarHBondContact O-N 2.91Å; S102-F105 PolarHBondContact O-N 3.02Å; F105-Q108 PolarHBondContact O-N 3.45Å; F105-M109 PolarHBondContact O-N 3.3Å
106V61Low54.7Low65 Ų6592.5 Ų92.539%0.39447%0.466SS..Hα-helixtrans-66.2-40.1175.3172.40000111.1L58 S102 C103 Q108 M109 Y110L58-V106 HydrophobicContact CD1-CG1 4.48Å; S102-V106 WeakPolarHBondContact O-CG2 3.21Å; S102-V106 PolarHBondContact O-N 3.41Å; C103-V106 PolarHBondContact O-N 2.81Å; V106-Q108 VanDerWaalsContact C-N 3.33Å; V106-Q108 PolarHBondContact O-N 2.93Å; V106-M109 PolarHBondContact O-N 3.43Å; V106-Y110 PolarHBondContact O-N 3.21Å
107Y55.8Low54.2Low130 Ų13099.1 Ų99.151%0.5149%0.486SS..Hα-helixtrans-63.2-38.4174.3-178.5-102.6000112.2C103 F104 Y110 R111C103-Y107 VanDerWaalsContact O-CB 3.3Å; C103-Y107 WeakPolarHBondContact O-CB 3.48Å; C103-Y107 PolarHBondContact O-N 2.86Å; F104-Y107 PolarHBondContact O-N 3.43Å; Y107-Y110 WeakPolarHBondContact O-CB 3.47Å; Y107-Y110 PolarHBondContact O-N 2.9Å; Y107-R111 PolarHBondContact O-N 2.81Å
108Q55.4Low53.5Low45 Ų4598.2 Ų98.221%0.2148%0.482CS..Hα-helixtrans-65.9-41.6174.7-69.7-81.351.100111.6F104 F105 V106 Y110 R111 E112F104-Q108 HydrophobicContact CD1-CG 4.17Å; F104-Q108 HydrophobicContact CE1-CG 3.92Å; F104-Q108 HydrophobicContact CZ-CG 4.23Å; F104-Q108 WeakPolarHBondContact O-CG 2.87Å; F104-Q108 PolarHBondContact O-N 3.37Å; F105-Q108 PolarHBondContact O-N 3.45Å; V106-Q108 VanDerWaalsContact C-N 3.33Å; V106-Q108 PolarHBondContact O-N 2.93Å; Q108-Y110 VanDerWaalsContact C-N 3.32Å; Q108-Y110 PolarHBondContact O-N 3.46Å; Q108-R111 WeakPolarHBondContact O-CB 3.4Å; Q108-R111 PolarHBondContact O-N 2.87Å; Q108-R111 VanDerWaalsContact O-N 3.12Å; Q108-E112 WeakPolarHBondContact O-CG 3.45Å; Q108-E112 PolarHBondContact O-N 3.31Å
109M54.6Low52.8Low82 Ų8299.5 Ų99.540%0.40449%0.494SS..Hα-helixtrans-65.4-32.4173.6-73-163.278.300113.3F105 V106 R113F105-M109 PolarHBondContact O-N 3.3Å; V106-M109 PolarHBondContact O-N 3.43Å; M109-R113 WeakPolarHBondContact O-CG 3.38Å; M109-R113 PolarHBondContact O-N 3.32Å
110Y57.3Low52.1Low99 Ų99102.8 Ų102.839%0.38851%0.513SS..Hα-helixtrans-66.8-38.6170.8175.6-100.6000111.5V106 Y107 Q108 G115 D116V106-Y110 PolarHBondContact O-N 3.21Å; Y107-Y110 WeakPolarHBondContact O-CB 3.47Å; Y107-Y110 PolarHBondContact O-N 2.9Å; Q108-Y110 VanDerWaalsContact C-N 3.32Å; Q108-Y110 PolarHBondContact O-N 3.46Å; Y110-G115 PolarHBondContact O-N 2.91Å; Y110-G115 VanDerWaalsContact O-N 3.12Å; Y110-D116 PolarHBondContact OH-O 3.47Å
111R57.2Low51.7Low168 Ų168107.2 Ų107.263%0.63452%0.524SS*.Hα-helixtrans-68.8-37177.6-136.2175.881163.55.2113.1Y107 Q108 R113Y107-R111 PolarHBondContact O-N 2.81Å; Q108-R111 WeakPolarHBondContact O-CB 3.4Å; Q108-R111 PolarHBondContact O-N 2.87Å; Q108-R111 VanDerWaalsContact O-N 3.12Å; R111-R113 VanDerWaalsContact C-N 3.34Å
112E48.5Very low51Low115 Ų115107.2 Ų107.254%0.53754%0.539SS..Hα-helixtrans-75.6-19.9179.9-71.9-179.4168.500113.6I3 Q108 G114I3-E112 WeakPolarHBondContact CD1-OE1 3.28Å; Q108-E112 WeakPolarHBondContact O-CG 3.45Å; Q108-E112 PolarHBondContact O-N 3.31Å; E112-G114 VanDerWaalsContact C-N 3.35Å
113R52Low50.3Low209 Ų209113.4 Ų113.479%0.78956%0.561SS**THydrogen-bonded Turntrans-90.48.1177.3-74-179.3172.1-155.9-3.7114.4M109 R111M109-R113 WeakPolarHBondContact O-CG 3.38Å; M109-R113 PolarHBondContact O-N 3.32Å; R111-R113 VanDerWaalsContact C-N 3.34Å
114G52.8Low49.5Very low57 Ų57115.5 Ų115.559%0.58857%0.574SS**THydrogen-bonded Turntrans72.738.2-177.100000112.8E112 D116E112-G114 VanDerWaalsContact C-N 3.35Å; G114-D116 PolarHBondContact O-N 3.48Å
115G47.3Very low48.8Very low20 Ų20114.6 Ų114.621%0.20658%0.579CS.*  trans-51.4104.9176.800000111.8Y110 Y117Y110-G115 PolarHBondContact O-N 2.91Å; Y110-G115 VanDerWaalsContact O-N 3.12Å; G115-Y117 PolarHBondContact O-N 3.41Å
116D46.5Very low48.2Very low136 Ų136116.5 Ų116.573%0.72760%0.598SS**  trans-54.6131.5173.3-88.2-49.6000109.5Y110 G114 N118Y110-D116 PolarHBondContact OH-O 3.47Å; G114-D116 PolarHBondContact O-N 3.48Å; D116-N118 PolarHBondContact O-N 3.43Å
117Y45.5Very low47.4Very low233 Ų233116.4 Ų116.491%0.91460%0.6SS**SBendtrans-66.140.8-175-60.7-92.9000114.2G115G115-Y117 PolarHBondContact O-N 3.41Å
118N42.2Very low47Very low90 Ų90121.2 Ų121.248%0.48162%0.617SS.*  trans-132.263.9-178.4-155-14000110.9D116 N120D116-N118 PolarHBondContact O-N 3.43Å; N118-N120 PolarHBondContact O-N 3.45Å
119V41Very low46.6Very low120 Ų120123.5 Ų123.573%0.72763%0.631SS**  trans-67.386154.5-85.30000107.6F121V119-F121 PolarHBondContact O-N 3.07Å
120N39Very low46.3Very low107 Ų107130.3 Ų130.357%0.57265%0.652SS**  trans-70.377.8174-173.111.2000109.7N118 G122N118-N120 PolarHBondContact O-N 3.45Å; N120-G122 PolarHBondContact O-N 2.97Å
121F42.5Very low45.9Very low173 Ų173132.6 Ų132.676%0.75967%0.671SS**  trans-78.288.9165.6-134.6-88.4000107.1V119 F123V119-F121 PolarHBondContact O-N 3.07Å; F121-F123 VanDerWaalsContact C-N 3.25Å; F121-F123 WeakPolarHBondContact O-CD2 3.49Å; F121-F123 PolarHBondContact O-N 2.69Å
122G40.7Very low45.4Very low73 Ų73129.3 Ų129.375%0.75367%0.67SS**SBendtrans42.331.2156.600000120N120N120-G122 PolarHBondContact O-N 2.97Å
123F39.7Very low45.2Very low167 Ų167134.7 Ų134.773%0.73269%0.687SS**SBendtrans-133.2144.7175.8-76.2-75000109.1F121 T125F121-F123 VanDerWaalsContact C-N 3.25Å; F121-F123 WeakPolarHBondContact O-CD2 3.49Å; F121-F123 PolarHBondContact O-N 2.69Å; F123-T125 PolarHBondContact O-N 3.48Å
124P39.8Very low44.9Very low123 Ų123133 Ų13380%0.79969%0.688SS**  trans-62117.2-165.725.8-32.7000110.5V126P124-V126 PolarHBondContact O-N 2.88Å
125T47.3Very low44.9Very low104 Ų104135.5 Ų135.564%0.63870%0.696SS**  trans-5.9105.8162.9-60.30000115.5F123 S127F123-T125 PolarHBondContact O-N 3.48Å; T125-S127 VanDerWaalsContact CG2-N 3.32Å
126V45.5Very low45.3Very low131 Ų131141.4 Ų141.479%0.79472%0.722SS**  trans-104.273.2139.91790000106.2P124 R128P124-V126 PolarHBondContact O-N 2.88Å; V126-R128 VanDerWaalsContact C-N 3.26Å; V126-R128 PolarHBondContact O-N 3.23Å
127S45.1Very low45.7Very low63 Ų63141.6 Ų141.644%0.44172%0.723SS.*  trans-63.799.4157.8178.90000105.2T125 N129T125-S127 VanDerWaalsContact CG2-N 3.32Å; S127-N129 PolarHBondContact O-N 2.91Å
128R48Very low45.9Very low230 Ų230139.8 Ų139.887%0.86872%0.723SS**  trans-7382163.7-158.6177-164.71724.5105.6V126 R130V126-R128 VanDerWaalsContact C-N 3.26Å; V126-R128 PolarHBondContact O-N 3.23Å; R128-R130 VanDerWaalsContact C-N 3.3Å; R128-R130 PolarHBondContact O-N 2.91Å
129N45.2Very low46.2Very low94 Ų94144.9 Ų144.950%0.50374%0.744SS.*  trans-5294.8173.3-151.4-33.1000107.3S127 T132S127-N129 PolarHBondContact O-N 2.91Å; N129-T132 PolarHBondContact OD1-OG1 3.32Å
130R48.5Very low46.4Very low225 Ų225146.6 Ų146.685%0.84975%0.749SS**THydrogen-bonded Turntrans-89.36.2176.2-168.5146.2154.9138.4-8.9111R128R128-R130 VanDerWaalsContact C-N 3.3Å; R128-R130 PolarHBondContact O-N 2.91Å
131D50Low46.6Very low147 Ų147150.7 Ų150.779%0.78676%0.764SS**THydrogen-bonded Turntrans-92.67.7173.4-56.6-51.6000112.9
132T47.3Very low46.5Very low99 Ų99148.4 Ų148.461%0.60777%0.77SS**  trans-102.413.2178.7-33.20000114.3N129N129-T132 PolarHBondContact OD1-OG1 3.32Å
133Y42.3Very low46.5Very low228 Ų228150.1 Ų150.189%0.89477%0.77SS**  trans-100.366.8161.9-84.2-86.9000109.7S135Y133-S135 PolarHBondContact O-N 3.07Å
134Q47.5Very low46.4Very low173 Ų173145.5 Ų145.581%0.80877%0.77SS**  trans-68113.3147.4-95.3-174.9-58.200106.5I136Q134-I136 PolarHBondContact O-N 2.8Å
135S52.7Low46.8Very low109 Ų109145.4 Ų145.476%0.76277%0.769SS**  trans-63.8104.5161490000107.5Y133 D137Y133-S135 PolarHBondContact O-N 3.07Å; S135-D137 PolarHBondContact O-N 2.92Å
136I54.4Low46.3Very low144 Ų144147.1 Ų147.174%0.73878%0.78SS**SBendtrans-56.7132.1161.5-65.1160.1000105.9Q134Q134-I136 PolarHBondContact O-N 2.8Å
137D55.7Low45.9Very low141 Ų141148.4 Ų148.475%0.75478%0.782SS**  trans9377.4179.4-48.4-37.7000117.3S135S135-D137 PolarHBondContact O-N 2.92Å
138Q49.6Very low46Very low194 Ų194150 Ų15091%0.90779%0.791SS**  -170.971128.3-115.9169.2-2500111.8
139Q48.4Very low45.4Very low198 Ų198148.8 Ų148.893%0.92579%0.792SS**  trans-103.981.4150.9-108.7179.9-12.400106.4
140D44.9Very low45.6Very low156 Ų156152.2 Ų152.283%0.83481%0.811SS**  trans-122.7115.8151.6-93.9-35.5000106.5S142D140-S142 PolarHBondContact O-N 2.84Å
141E43.3Very low45.4Very low193 Ų193150 Ų15090%0.90281%0.81SS**  trans-52.4119-177.5-73.9166.470.300112.1
142S41.2Very low45Very low124 Ų124147.5 Ų147.587%0.86781%0.81SS**  trans-119.785.6154.8-176.60000108.1D140D140-S142 PolarHBondContact O-N 2.84Å
143S40.4Very low44.9Very low110 Ų110148.6 Ų148.677%0.76982%0.819SS**  trans-115.8120.7162.6-51.30000107.2
144G36.9Very low44.8Very low70 Ų70145.5 Ų145.572%0.72282%0.818SS**  trans-62.7-179.4-173.400000116.4
145P47.9Very low44.4Very low121 Ų121143.1 Ų143.179%0.78682%0.815SS**  trans-83139.5-161.433.5-32.6000112.3
146T36.5Very low43.7Very low140 Ų140147.6 Ų147.686%0.85982%0.821SS**  trans162.7112.6131.235.20000113.5
147N38.4Very low43.4Very low157 Ų157146.6 Ų146.684%0.8482%0.824SS**  trans15.3170.9137.4-91.1-22.3000121.9
148P46Very low42.6Very low97 Ų97143.2 Ų143.263%0.6382%0.822SS**  cis-140.4126.7-21.432.5-11.9000112.7
149F36.9Very low42.2Very low204 Ų204140.7 Ų140.790%0.89582%0.82SS**  trans-139.778.9167.9-101.2-87.9000110.5
150N48.2Very low41.9Very low166 Ų166142 Ų14289%0.88882%0.817SS**  trans-117.984.2164.3-139.913.7000107.4
151Q44.8Very low41.8Very low178 Ų178140.6 Ų140.683%0.83281%0.814SS**  trans-141.399.4167.1-78-172.4-22.100108.1
152A41.8Very low42.1Very low96 Ų96145.1 Ų145.179%0.79382%0.824SS**  trans-123.1121.415400000106.7
153P44.5Very low42.1Very low122 Ų122146.2 Ų146.279%0.79282%0.822SS**  trans-92.3123.5175.232.6-25000109.2
154D41.9Very low42.2Very low162 Ų162148.1 Ų148.187%0.86683%0.825SS**  trans-137.5103.1163.4-119.2-37.1000112.5
155T37.3Very low42.5Very low123 Ų123152.4 Ų152.476%0.75583%0.831SS**  trans-8.4122.4156.8-44.20000119.3
156K39.5Very low42.2Very low204 Ų204154.2 Ų154.289%0.88783%0.833SS**  -165.8137.9125.4-118.6176.7-178176.60113.3
157P46.9Very low42.5Very low122 Ų122155.1 Ų155.179%0.79283%0.832SS**  trans-98.7151.8-177.536.8-31.2000113.6
158G38.6Very low42.8Very low71 Ų71155 Ų15573%0.73283%0.831SS**  trans116.1112.3154.800000115.2
159V42.3Very low42.6Very low141 Ų141159.1 Ų159.186%0.85585%0.846SS**  176.2132.188.2160.50000108.2
160R42.3Very low43Very low226 Ų226155.7 Ų155.785%0.85384%0.842SS**  trans-86.4137.6177.1-155.7-173.2-154.4-175.85.2108.3
161T42.2Very low42.6Very low126 Ų126154.8 Ų154.877%0.77384%0.838SS**  trans-137.7144.4156.2-31.10000109.7
162Y49.3Very low42.4Very low287 Ų287152.7 Ų152.7100%1.12584%0.839SS**  trans-630-161.8-68.4-97000115.6

Retrieved 162 of 162 residues in 92.9 ms (Link to these results)