A0A060XFU5_ONCMY Loading...

Ankyrin repeat and SOCS box containing 8

AlphaFold DB , UniProt , Accession A0A060XFU5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene asb8, Length 289 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
1M45.2Very low47.7Very low217 Ų217110.1 Ų110.1100%1.06957%0.565SS**  0117.60-69.5165.28400107.2
2S46.6Very low48.1Very low74 Ų74106.8 Ų106.852%0.51755%0.548SS..  trans-78.2147.8-170.881.30000112.1T4 M5S2-T4 PolarHBondContact O-N 2.83Å; S2-M5 WeakPolarHBondContact O-CB 3.03Å; S2-M5 PolarHBondContact O-N 3.2Å
3S52.7Low48.6Very low101 Ų101101.2 Ų101.271%0.70652%0.519SS*.Hα-helixtrans-55.5-22178.4-48.60000113.8Y7S3-Y7 PolarHBondContact O-N 3.38Å; S3-Y7 VanDerWaalsContact O-N 3.08Å
4T48.2Very low49.3Very low96 Ų96100.6 Ų100.659%0.58953%0.528SS*.Hα-helixtrans-70.6-35.4176.2-29.20000112.3S2 Y7 I8S2-T4 PolarHBondContact O-N 2.83Å; T4-Y7 PolarHBondContact O-N 3.48Å; T4-I8 VanDerWaalsContact O-CG1 3.3Å; T4-I8 WeakPolarHBondContact O-CG1 3.47Å; T4-I8 PolarHBondContact O-N 2.94Å; T4-I8 VanDerWaalsContact O-N 3.15Å
5M41.5Very low50.2Low111 Ų111104.5 Ų104.555%0.54754%0.539SS..Hα-helixtrans-69.6-39.5176.1-159.9174.7-152.700110.8S2 I8 M9S2-M5 WeakPolarHBondContact O-CB 3.03Å; S2-M5 PolarHBondContact O-N 3.2Å; M5-I8 PolarHBondContact O-N 3.42Å; M5-M9 HydrophobicContact CG-SD 4.25Å; M5-M9 WeakPolarHBondContact O-CB 3.43Å; M5-M9 VanDerWaalsContact O-CG 3.22Å; M5-M9 WeakPolarHBondContact O-CG 3.43Å; M5-M9 PolarHBondContact O-N 3.37Å
6W42.9Very low51.3Low157 Ų157101.7 Ų101.760%0.59552%0.52SS*.Hα-helixtrans-61.9-43.9174.3-176.984.2000112.2M9 Q10W6-M9 PolarHBondContact O-N 2.75Å; W6-Q10 WeakPolarHBondContact O-CB 3.26Å; W6-Q10 PolarHBondContact O-N 2.91Å
7Y45.9Very low53.3Low158 Ų15899.9 Ų99.962%0.6252%0.518SS*.Hα-helixtrans-65.9-39.4179.1-163.9-98.3000113.2S3 T4 S11S3-Y7 PolarHBondContact O-N 3.38Å; S3-Y7 VanDerWaalsContact O-N 3.08Å; T4-Y7 PolarHBondContact O-N 3.48Å; Y7-S11 WeakPolarHBondContact O-CB 3.48Å; Y7-S11 PolarHBondContact O-N 3.48Å
8I50.8Low55.3Low97 Ų9797.2 Ų97.250%0.49750%0.504SS..Hα-helixtrans-67.1-40.8175.6-66.6166.5000110.6T4 M5 S11 I12T4-I8 VanDerWaalsContact O-CG1 3.3Å; T4-I8 WeakPolarHBondContact O-CG1 3.47Å; T4-I8 PolarHBondContact O-N 2.94Å; T4-I8 VanDerWaalsContact O-N 3.15Å; M5-I8 PolarHBondContact O-N 3.42Å; I8-S11 PolarHBondContact O-N 2.68Å; I8-I12 HydrophobicContact CG2-CD1 4.04Å; I8-I12 WeakPolarHBondContact O-CG1 3.29Å; I8-I12 PolarHBondContact O-N 3.48Å
9M48Very low57Low53 Ų5392.8 Ų92.826%0.26148%0.483SS..Hα-helixtrans-64.8-42.4176.8-71.9168.569.400111.9M5 W6 S11 I12 Q13 P33M5-M9 HydrophobicContact CG-SD 4.25Å; M5-M9 WeakPolarHBondContact O-CB 3.43Å; M5-M9 VanDerWaalsContact O-CG 3.22Å; M5-M9 WeakPolarHBondContact O-CG 3.43Å; M5-M9 PolarHBondContact O-N 3.37Å; W6-M9 PolarHBondContact O-N 2.75Å; M9-S11 VanDerWaalsContact C-N 3.32Å; M9-S11 PolarHBondContact O-N 3.07Å; M9-I12 PolarHBondContact O-N 3.11Å; M9-Q13 WeakPolarHBondContact O-CB 3.47Å; M9-Q13 VanDerWaalsContact O-CG 3.29Å; M9-Q13 WeakPolarHBondContact O-CG 3.35Å; M9-Q13 PolarHBondContact O-N 3.45Å; M9-P33 HydrophobicContact CE-CG 3.28Å
10Q53.3Low58.6Low90 Ų9089.7 Ų89.742%0.42147%0.466SS..Hα-helixtrans-64.2-36.9175.8-162.5177.61700112.1W6 Q13 S14W6-Q10 WeakPolarHBondContact O-CB 3.26Å; W6-Q10 PolarHBondContact O-N 2.91Å; Q10-Q13 PolarHBondContact O-N 3.32Å; Q10-S14 PolarHBondContact O-N 2.91Å
11S49.1Very low60Low57 Ų5786 Ų8640%0.39945%0.446SS..Hα-helixtrans-70-28.5175.8-178.70000113.8Y7 I8 M9 S14Y7-S11 WeakPolarHBondContact O-CB 3.48Å; Y7-S11 PolarHBondContact O-N 3.48Å; I8-S11 PolarHBondContact O-N 2.68Å; M9-S11 VanDerWaalsContact C-N 3.32Å; M9-S11 PolarHBondContact O-N 3.07Å; S11-S14 PolarHBondContact O-OG 3.18Å; S11-S14 VanDerWaalsContact O-OG 3.06Å
12I53.2Low62.2Low70 Ų7075.7 Ų75.736%0.35940%0.395SS..Hα-helixtrans-77.2-38.7171.2-65.5166.5000110.3I8 M9 S14 K15 Y16 F32I8-I12 HydrophobicContact CG2-CD1 4.04Å; I8-I12 WeakPolarHBondContact O-CG1 3.29Å; I8-I12 PolarHBondContact O-N 3.48Å; M9-I12 PolarHBondContact O-N 3.11Å; I12-S14 VanDerWaalsContact C-N 3.32Å; I12-S14 PolarHBondContact O-N 3.29Å; I12-K15 PolarHBondContact O-N 3.04Å; I12-Y16 HydrophobicContact CG2-CE2 4.11Å; I12-Y16 WeakPolarHBondContact O-CD2 3.42Å; I12-F32 HydrophobicContact CG2-CE1 3.88Å; I12-F32 HydrophobicContact CG2-CZ 4.48Å
13Q54.7Low64.2Low35 Ų3572.7 Ų72.716%0.16437%0.373CS..Hα-helixtrans-65.3-30.9178.3-76.7176.2-1.600113.6M9 Q10 K15 F32M9-Q13 WeakPolarHBondContact O-CB 3.47Å; M9-Q13 VanDerWaalsContact O-CG 3.29Å; M9-Q13 WeakPolarHBondContact O-CG 3.35Å; M9-Q13 PolarHBondContact O-N 3.45Å; Q10-Q13 PolarHBondContact O-N 3.32Å; Q13-K15 VanDerWaalsContact C-N 3.27Å; Q13-K15 PolarHBondContact O-N 3.08Å; Q13-F32 HydrophobicContact CG-CD1 4.37Å
14S58.8Low65.8Low93 Ų9369.9 Ų69.965%0.6535%0.347SS*.THydrogen-bonded Turntrans-74-14.8178.664.80000114Q10 S11 I12Q10-S14 PolarHBondContact O-N 2.91Å; S11-S14 PolarHBondContact O-OG 3.18Å; S11-S14 VanDerWaalsContact O-OG 3.06Å; I12-S14 VanDerWaalsContact C-N 3.32Å; I12-S14 PolarHBondContact O-N 3.29Å
15K61.5Low67.8Low158 Ų15866.2 Ų66.269%0.68733%0.325SS*.THydrogen-bonded Turntrans-80.1-20.8179.5-69.4-179.4-178.8-177.70113.6I12 Q13I12-K15 PolarHBondContact O-N 3.04Å; Q13-K15 VanDerWaalsContact C-N 3.27Å; Q13-K15 PolarHBondContact O-N 3.08Å
16Y68.4Low70.1Confident60 Ų6061.4 Ų61.424%0.23530%0.301CS..SBendtrans-111138.2-175.4-58.8-66.1000110.9I12 E20 F32I12-Y16 HydrophobicContact CG2-CE2 4.11Å; I12-Y16 WeakPolarHBondContact O-CD2 3.42Å; Y16-E20 HydrophobicContact CD1-CG 4.13Å; Y16-E20 WeakPolarHBondContact CD1-OE1 3.41Å; Y16-E20 WeakPolarHBondContact CD1-OE2 3.48Å; Y16-E20 VanDerWaalsContact CE1-OE1 3.28Å; Y16-E20 WeakPolarHBondContact CE1-OE1 3.43Å; Y16-F32 HydrophobicContact CD2-CZ 4.03Å; Y16-F32 HydrophobicContact CE2-CZ 4.11Å
17S85.9Confident72Confident71 Ų7155 Ų5550%0.49728%0.282SS..  trans-62.9156.2171.969.90000111.1S19 E20 R21S17-S19 VanDerWaalsContact C-N 3.26Å; S17-S19 PolarHBondContact O-N 2.96Å; S17-E20 PolarHBondContact O-N 3.36Å; S17-E20 VanDerWaalsContact O-N 3.11Å; S17-E20 WeakPolarHBondContact OG-CB 3.33Å; S17-E20 PolarHBondContact OG-N 3.22Å; S17-R21 PolarHBondContact O-N 2.96Å
18L87.9Confident73.5Confident51 Ų5150.9 Ų50.927%0.26728%0.28SS..Hα-helixtrans-56-41.4177.3-71.1174.8000112R21 L22 L40 R43 A45L18-R21 WeakPolarHBondContact O-CB 3.2Å; L18-R21 PolarHBondContact O-N 3.38Å; L18-L22 PolarHBondContact O-N 3.23Å; L18-L40 HydrophobicContact CD2-CD2 4.12Å; L18-R43 HydrophobicContact CD1-CB 4.23Å; L18-R43 VanDerWaalsContact CD1-O 3.27Å; L18-R43 WeakPolarHBondContact CD1-O 3.4Å; L18-A45 HydrophobicContact CB-CB 4.03Å
19S88.6Confident73.9Confident15 Ų1552.1 Ų52.111%0.10529%0.286CS..Hα-helixtrans-67-34.2176.8-58.60000113.7S17 L22 I23 D46S17-S19 VanDerWaalsContact C-N 3.26Å; S17-S19 PolarHBondContact O-N 2.96Å; S19-L22 WeakPolarHBondContact O-CB 3.5Å; S19-L22 PolarHBondContact O-N 3.25Å; S19-I23 PolarHBondContact O-N 2.9Å; S19-D46 PolarHBondContact OG-N 2.75Å; S19-D46 PolarHBondContact OG-O 3.39Å
20E88.1Confident74.4Confident29 Ų2956.8 Ų56.814%0.13630%0.301CS..Hα-helixtrans-69.4-40173.6176.2170.917800111.4Y16 S17 L22 I23 R24 H51Y16-E20 HydrophobicContact CD1-CG 4.13Å; Y16-E20 WeakPolarHBondContact CD1-OE1 3.41Å; Y16-E20 WeakPolarHBondContact CD1-OE2 3.48Å; Y16-E20 VanDerWaalsContact CE1-OE1 3.28Å; Y16-E20 WeakPolarHBondContact CE1-OE1 3.43Å; S17-E20 PolarHBondContact O-N 3.36Å; S17-E20 VanDerWaalsContact O-N 3.11Å; S17-E20 WeakPolarHBondContact OG-CB 3.33Å; S17-E20 PolarHBondContact OG-N 3.22Å; E20-L22 VanDerWaalsContact C-N 3.3Å; E20-L22 PolarHBondContact O-N 3.48Å; E20-I23 PolarHBondContact O-N 2.84Å; E20-R24 HydrophobicContact CG-CG 4.5Å; E20-R24 WeakPolarHBondContact O-CG 3.45Å; E20-R24 PolarHBondContact O-N 3.42Å; E20-R24 VanDerWaalsContact O-N 3.08Å; E20-R24 IonicContact OE1-CZ 3.68Å; E20-R24 IonicContact OE1-NE 3.81Å; E20-R24 PolarHBondContact OE1-NE 3.35Å; E20-R24 IonicContact OE1-NH2 2.69Å; E20-R24 PolarHBondContact OE1-NH2 3.11Å; E20-H51 VanDerWaalsContact CG-CE1 3.45Å; E20-H51 WeakPolarHBondContact CG-CE1 3.49Å; E20-H51 IonicContact OE1-CE1 3.99Å; E20-H51 PolarHBondContact OE1-CE1 3.09Å; E20-H51 IonicContact OE1-ND1 3.21Å; E20-H51 IonicContact OE1-NE2 2.79Å; E20-H51 PolarHBondContact OE1-NE2 3.47Å; E20-H51 IonicContact OE2-CE1 2.8Å; E20-H51 IonicContact OE2-ND1 3.66Å
21R88.9Confident74.4Confident14 Ų1456.5 Ų56.55%0.05331%0.309CS..Hα-helixtrans-60.3-42.7173.8-70.9167.962.51711.9110.9S17 L18 I23 R24 T25 F32 D35 L40S17-R21 PolarHBondContact O-N 2.96Å; L18-R21 WeakPolarHBondContact O-CB 3.2Å; L18-R21 PolarHBondContact O-N 3.38Å; R21-I23 PolarHBondContact O-N 2.98Å; R21-R24 PolarHBondContact O-N 3.4Å; R21-T25 WeakPolarHBondContact O-CB 3.46Å; R21-T25 PolarHBondContact O-N 3.05Å; R21-T25 PolarHBondContact O-OG1 3.48Å; R21-F32 HydrophobicContact CG-CE2 4.34Å; R21-D35 IonicContact CZ-OD1 2.97Å; R21-D35 IonicContact CZ-OD2 3.43Å; R21-D35 IonicContact NE-OD1 3.34Å; R21-D35 IonicContact NE-OD2 3.53Å; R21-D35 PolarHBondContact NE-OD2 3.06Å; R21-D35 VanDerWaalsContact NH2-CG 3.31Å; R21-D35 IonicContact NH2-OD1 3.89Å; R21-D35 PolarHBondContact NH2-OD1 3Å; R21-D35 IonicContact NH2-OD2 2.67Å; R21-D35 PolarHBondContact NH2-OD2 3.36Å; R21-D35 VanDerWaalsContact NH2-OD2 3.16Å; R21-L40 HydrophobicContact CB-CD1 4.12Å; R21-L40 HydrophobicContact CB-CD2 4.3Å
22L90.4Very high75.1Confident0 Ų055 Ų550%030%0.295CS..Hα-helixtrans-52.8-54.4176.5177.764.6000111.6L18 S19 E20 R24 T25 I26 V37 L40 I41 A45 V47 P56L18-L22 PolarHBondContact O-N 3.23Å; S19-L22 WeakPolarHBondContact O-CB 3.5Å; S19-L22 PolarHBondContact O-N 3.25Å; E20-L22 VanDerWaalsContact C-N 3.3Å; E20-L22 PolarHBondContact O-N 3.48Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3.49Å; L22-T25 PolarHBondContact O-N 2.94Å; L22-I26 HydrophobicContact CD1-CD1 4Å; L22-I26 HydrophobicContact CG-CD1 4Å; L22-I26 VanDerWaalsContact O-CG1 3.31Å; L22-I26 WeakPolarHBondContact O-CG1 3.11Å; L22-I26 PolarHBondContact O-N 3.39Å; L22-V37 HydrophobicContact CD1-CB 4.37Å; L22-V37 HydrophobicContact CD1-CG1 3.78Å; L22-L40 HydrophobicContact CB-CD1 4.34Å; L22-L40 HydrophobicContact CD1-CB 4.33Å; L22-I41 HydrophobicContact CD1-CD1 4.38Å; L22-I41 HydrophobicContact CD1-CG1 4.04Å; L22-I41 HydrophobicContact CD2-CG1 4.23Å; L22-A45 HydrophobicContact CB-CB 4.16Å; L22-A45 HydrophobicContact CD2-CB 4Å; L22-V47 HydrophobicContact CD2-CG1 4.44Å; L22-P56 HydrophobicContact CD2-CB 4.18Å; L22-P56 HydrophobicContact CD2-CG 3.83Å; L22-P56 HydrophobicContact CG-CB 4.46Å; L22-P56 HydrophobicContact CG-CG 4.34Å
23I89Confident75.4Confident10 Ų1056 Ų565%0.05131%0.306CS..Hα-helixtrans-61.5-42179.4-72173.7000111.8S19 E20 R21 T25 I26 A27 R49 H51 P56S19-I23 PolarHBondContact O-N 2.9Å; E20-I23 PolarHBondContact O-N 2.84Å; R21-I23 PolarHBondContact O-N 2.98Å; I23-T25 VanDerWaalsContact C-N 3.33Å; I23-T25 PolarHBondContact O-N 3.02Å; I23-I26 PolarHBondContact O-N 3.47Å; I23-A27 WeakPolarHBondContact O-CB 3.45Å; I23-A27 PolarHBondContact O-N 3.42Å; I23-R49 WeakPolarHBondContact CD1-O 3.28Å; I23-H51 HydrophobicContact CB-CB 4.46Å; I23-H51 HydrophobicContact CD1-CB 3.4Å; I23-H51 HydrophobicContact CG1-CB 4.47Å; I23-H51 HydrophobicContact CG2-CB 4.45Å; I23-P56 HydrophobicContact CD1-CG 4.1Å; I23-P56 HydrophobicContact CG1-CB 4.33Å; I23-P56 HydrophobicContact CG1-CG 3.71Å
24R87.4Confident76Confident43 Ų4360.3 Ų60.316%0.16233%0.326CS..Hα-helixtrans-66.5-35179.6-71.5178.1179.1-71.3-4.1112.7E20 R21 L22 A28 I29E20-R24 HydrophobicContact CG-CG 4.5Å; E20-R24 WeakPolarHBondContact O-CG 3.45Å; E20-R24 PolarHBondContact O-N 3.42Å; E20-R24 VanDerWaalsContact O-N 3.08Å; E20-R24 IonicContact OE1-CZ 3.68Å; E20-R24 IonicContact OE1-NE 3.81Å; E20-R24 PolarHBondContact OE1-NE 3.35Å; E20-R24 IonicContact OE1-NH2 2.69Å; E20-R24 PolarHBondContact OE1-NH2 3.11Å; R21-R24 PolarHBondContact O-N 3.4Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3.49Å; R24-A28 PolarHBondContact O-N 3.41Å; R24-I29 PolarHBondContact O-N 2.97Å
25T89.5Confident76.9Confident19 Ų1956.6 Ų56.612%0.11730%0.299CS..Hα-helixtrans-66.6-47.8174.8-61.50000110.3R21 L22 I23 A28 D35 V37R21-T25 WeakPolarHBondContact O-CB 3.46Å; R21-T25 PolarHBondContact O-N 3.05Å; R21-T25 PolarHBondContact O-OG1 3.48Å; L22-T25 PolarHBondContact O-N 2.94Å; I23-T25 VanDerWaalsContact C-N 3.33Å; I23-T25 PolarHBondContact O-N 3.02Å; T25-A28 PolarHBondContact O-N 2.9Å; T25-D35 HydrophobicContact CG2-CB 4.34Å; T25-D35 VanDerWaalsContact CG2-O 3.28Å; T25-D35 WeakPolarHBondContact CG2-O 3.45Å; T25-D35 WeakPolarHBondContact OG1-CB 3.3Å; T25-V37 HydrophobicContact CG2-CG2 4.07Å
26I89.2Confident78.1Confident10 Ų1053.4 Ų53.45%0.05129%0.29CS..Hα-helixtrans-60.9-48177.2-64.5163.8000111.1L22 I23 A28 V37 P56 C59 A60 L72L22-I26 HydrophobicContact CD1-CD1 4Å; L22-I26 HydrophobicContact CG-CD1 4Å; L22-I26 VanDerWaalsContact O-CG1 3.31Å; L22-I26 WeakPolarHBondContact O-CG1 3.11Å; L22-I26 PolarHBondContact O-N 3.39Å; I23-I26 PolarHBondContact O-N 3.47Å; I26-A28 PolarHBondContact O-N 3.24Å; I26-A28 VanDerWaalsContact O-N 3.15Å; I26-V37 HydrophobicContact CG1-CG1 4.48Å; I26-V37 HydrophobicContact CG1-CG2 3.81Å; I26-P56 HydrophobicContact CD1-CB 3.71Å; I26-C59 HydrophobicContact CB-CB 4.4Å; I26-C59 HydrophobicContact CG2-CB 3.78Å; I26-A60 HydrophobicContact CG2-CB 3.95Å; I26-L72 HydrophobicContact CD1-CD1 3.98Å; I26-L72 HydrophobicContact CD1-CD2 4.46Å
27A84.1Confident79.1Confident23 Ų2351.6 Ų51.619%0.1929%0.285CS..THydrogen-bonded Turntrans-73.5-3.7-17800000113.7I23 I29I23-A27 WeakPolarHBondContact O-CB 3.45Å; I23-A27 PolarHBondContact O-N 3.42Å; A27-I29 HydrophobicContact CB-CB 4.44Å; A27-I29 HydrophobicContact CB-CD1 3.71Å; A27-I29 HydrophobicContact CB-CG1 3.82Å; A27-I29 WeakPolarHBondContact O-CG1 3.5Å; A27-I29 PolarHBondContact O-N 3.2Å
28A76.3Confident79.4Confident71 Ų7151.4 Ų51.459%0.58728%0.276SS*.THydrogen-bonded Turntrans52.613.6-172.400000115.3R24 T25 I26 R30R24-A28 PolarHBondContact O-N 3.41Å; T25-A28 PolarHBondContact O-N 2.9Å; I26-A28 PolarHBondContact O-N 3.24Å; I26-A28 VanDerWaalsContact O-N 3.15Å; A28-R30 PolarHBondContact O-N 3.02Å; A28-R30 VanDerWaalsContact O-N 3.16Å
29I59.4Low79.5Confident122 Ų12252 Ų5263%0.62628%0.279SS*.THydrogen-bonded Turntrans-66.5-24.3-170.3-74.2172.1000112R24 A27R24-I29 PolarHBondContact O-N 2.97Å; A27-I29 HydrophobicContact CB-CB 4.44Å; A27-I29 HydrophobicContact CB-CD1 3.71Å; A27-I29 HydrophobicContact CB-CG1 3.82Å; A27-I29 WeakPolarHBondContact O-CG1 3.5Å; A27-I29 PolarHBondContact O-N 3.2Å
30R57.7Low79.6Confident152 Ų15251.2 Ų51.257%0.57427%0.274SS*.THydrogen-bonded Turntrans-160.174.9170.4-66.5-171.3176.9152.8-3.1108.4A28 F32A28-R30 PolarHBondContact O-N 3.02Å; A28-R30 VanDerWaalsContact O-N 3.16Å; R30-F32 PolarHBondContact O-N 3.17Å
31S55Low79.9Confident83 Ų8351 Ų5158%0.5827%0.274SS*.  trans-58112.6-178.9-176.30000109.9
32F63.1Low80Confident25 Ų2558.8 Ų58.811%0.1130%0.303CS..  trans-74.4124.8168.1-60-76.6000105.9I12 Q13 Y16 R21 R30 H34 D35I12-F32 HydrophobicContact CG2-CE1 3.88Å; I12-F32 HydrophobicContact CG2-CZ 4.48Å; Q13-F32 HydrophobicContact CG-CD1 4.37Å; Y16-F32 HydrophobicContact CD2-CZ 4.03Å; Y16-F32 HydrophobicContact CE2-CZ 4.11Å; R21-F32 HydrophobicContact CG-CE2 4.34Å; R30-F32 PolarHBondContact O-N 3.17Å; F32-H34 PolarHBondContact O-N 2.95Å; F32-D35 HydrophobicContact CB-CB 4.05Å; F32-D35 WeakPolarHBondContact CD2-OD2 3.38Å; F32-D35 PolarHBondContact O-N 3.45Å
33P58.7Low80.1Confident91 Ų9164.2 Ų64.259%0.59132%0.324SS*.THydrogen-bonded Turntrans-63.93.4-16823.9-35000115.6M9M9-P33 HydrophobicContact CE-CG 3.28Å
34H67.5Low80.1Confident127 Ų12766.5 Ų66.559%0.58835%0.35SS*.THydrogen-bonded Turntrans-128.2-1.4178.4-57.4-50.5000113.5F32 N36F32-H34 PolarHBondContact O-N 2.95Å; H34-N36 PolarHBondContact O-N 3.17Å
35D77.6Confident80.4Confident14 Ų1464.8 Ų64.88%0.07534%0.344CS..  trans-88.5113.7-178.8-7712.7000109.1R21 T25 F32 L40R21-D35 IonicContact CZ-OD1 2.97Å; R21-D35 IonicContact CZ-OD2 3.43Å; R21-D35 IonicContact NE-OD1 3.34Å; R21-D35 IonicContact NE-OD2 3.53Å; R21-D35 PolarHBondContact NE-OD2 3.06Å; R21-D35 VanDerWaalsContact NH2-CG 3.31Å; R21-D35 IonicContact NH2-OD1 3.89Å; R21-D35 PolarHBondContact NH2-OD1 3Å; R21-D35 IonicContact NH2-OD2 2.67Å; R21-D35 PolarHBondContact NH2-OD2 3.36Å; R21-D35 VanDerWaalsContact NH2-OD2 3.16Å; T25-D35 HydrophobicContact CG2-CB 4.34Å; T25-D35 VanDerWaalsContact CG2-O 3.28Å; T25-D35 WeakPolarHBondContact CG2-O 3.45Å; T25-D35 WeakPolarHBondContact OG1-CB 3.3Å; F32-D35 HydrophobicContact CB-CB 4.05Å; F32-D35 WeakPolarHBondContact CD2-OD2 3.38Å; F32-D35 PolarHBondContact O-N 3.45Å; D35-L40 HydrophobicContact CB-CD1 4.02Å
36N86.5Confident80.6Confident91 Ų9167.2 Ų67.249%0.48736%0.357SS..  trans-106.6139.3170.5178.9-54.7000108.3H34 E38 D39 L40H34-N36 PolarHBondContact O-N 3.17Å; N36-E38 VanDerWaalsContact C-N 3.3Å; N36-E38 PolarHBondContact O-N 2.79Å; N36-E38 WeakPolarHBondContact OD1-CB 3.27Å; N36-E38 PolarHBondContact OD1-N 3.33Å; N36-D39 HydrophobicContact CB-CB 4.18Å; N36-D39 PolarHBondContact O-N 3.01Å; N36-L40 WeakPolarHBondContact O-CG 3.35Å; N36-L40 PolarHBondContact O-N 3.45Å
37V90.3Very high80.8Confident22 Ų2267.3 Ų67.313%0.13336%0.358CS..Hα-helixtrans-52.4-48.2179176.10000111.1L22 T25 I26 L40 I41 L71L22-V37 HydrophobicContact CD1-CB 4.37Å; L22-V37 HydrophobicContact CD1-CG1 3.78Å; T25-V37 HydrophobicContact CG2-CG2 4.07Å; I26-V37 HydrophobicContact CG1-CG1 4.48Å; I26-V37 HydrophobicContact CG1-CG2 3.81Å; V37-L40 PolarHBondContact O-N 3.44Å; V37-I41 HydrophobicContact CG1-CD1 3.94Å; V37-I41 VanDerWaalsContact O-CG1 3.3Å; V37-I41 WeakPolarHBondContact O-CG1 3.46Å; V37-I41 PolarHBondContact O-N 3.06Å; V37-I41 VanDerWaalsContact O-N 3.07Å; V37-L71 HydrophobicContact CB-CD2 4.44Å; V37-L71 HydrophobicContact CG1-CD2 3.85Å
38E91.6Very high81.4Confident68 Ų6867.7 Ų67.732%0.31836%0.357SS..Hα-helixtrans-66.2-41.8-178.5-161.3-173.4-175.100112.4N36 I41 R42 L71N36-E38 VanDerWaalsContact C-N 3.3Å; N36-E38 PolarHBondContact O-N 2.79Å; N36-E38 WeakPolarHBondContact OD1-CB 3.27Å; N36-E38 PolarHBondContact OD1-N 3.33Å; E38-I41 PolarHBondContact O-N 3.14Å; E38-R42 VanDerWaalsContact CD-CZ 3.5Å; E38-R42 WeakPolarHBondContact O-CB 3.14Å; E38-R42 VanDerWaalsContact O-CG 3.29Å; E38-R42 WeakPolarHBondContact O-CG 3.07Å; E38-R42 PolarHBondContact O-N 3.34Å; E38-R42 IonicContact OE1-CZ 3.39Å; E38-R42 IonicContact OE1-NE 2.65Å; E38-R42 IonicContact OE1-NH2 3.16Å; E38-R42 PolarHBondContact OE1-NH2 3.12Å; E38-R42 IonicContact OE2-CZ 2.94Å; E38-R42 IonicContact OE2-NH2 3.24Å; E38-R42 PolarHBondContact OE2-NH2 3.28Å; E38-R42 VanDerWaalsContact OE2-NH2 3.13Å; E38-L71 HydrophobicContact CB-CD2 4.21Å
39D90.8Very high82.1Confident62 Ų6271.8 Ų71.833%0.33236%0.357SS..Hα-helixtrans-62-44.3175.9179.367.1000111.5N36 I41 R42 R43N36-D39 HydrophobicContact CB-CB 4.18Å; N36-D39 PolarHBondContact O-N 3.01Å; D39-I41 VanDerWaalsContact C-N 3.34Å; D39-I41 PolarHBondContact O-N 3.02Å; D39-R42 PolarHBondContact O-N 3.48Å; D39-R43 WeakPolarHBondContact O-CB 3.39Å; D39-R43 WeakPolarHBondContact O-CD 3.02Å; D39-R43 VanDerWaalsContact O-CG 3.26Å; D39-R43 WeakPolarHBondContact O-CG 3.12Å; D39-R43 PolarHBondContact O-N 3.41Å; D39-R43 WeakPolarHBondContact OD2-CD 3.35Å; D39-R43 IonicContact OD2-CZ 3.45Å; D39-R43 IonicContact OD2-NE 3.62Å; D39-R43 IonicContact OD2-NH1 3.83Å; D39-R43 PolarHBondContact OD2-NH1 3.49Å
40L91.3Very high83.5Confident0 Ų069.7 Ų69.70%035%0.345CS..Hα-helixtrans-62.9-42179.5-71175.1000111.5L18 R21 L22 D35 N36 V37 R43 G44 A45L18-L40 HydrophobicContact CD2-CD2 4.12Å; R21-L40 HydrophobicContact CB-CD1 4.12Å; R21-L40 HydrophobicContact CB-CD2 4.3Å; L22-L40 HydrophobicContact CB-CD1 4.34Å; L22-L40 HydrophobicContact CD1-CB 4.33Å; D35-L40 HydrophobicContact CB-CD1 4.02Å; N36-L40 WeakPolarHBondContact O-CG 3.35Å; N36-L40 PolarHBondContact O-N 3.45Å; V37-L40 PolarHBondContact O-N 3.44Å; L40-R43 PolarHBondContact O-N 2.81Å; L40-G44 PolarHBondContact O-N 2.85Å; L40-A45 HydrophobicContact CB-CB 4.24Å; L40-A45 WeakPolarHBondContact O-CB 3.24Å; L40-A45 PolarHBondContact O-N 3.07Å
41I92.9Very high84.8Confident24 Ų2465.5 Ų65.512%0.12333%0.332CS..Hα-helixtrans-64.2-46.3175.4-64.4167.9000110.5L22 V37 E38 D39 R43 G44 V47 L71 L72 K75L22-I41 HydrophobicContact CD1-CD1 4.38Å; L22-I41 HydrophobicContact CD1-CG1 4.04Å; L22-I41 HydrophobicContact CD2-CG1 4.23Å; V37-I41 HydrophobicContact CG1-CD1 3.94Å; V37-I41 VanDerWaalsContact O-CG1 3.3Å; V37-I41 WeakPolarHBondContact O-CG1 3.46Å; V37-I41 PolarHBondContact O-N 3.06Å; V37-I41 VanDerWaalsContact O-N 3.07Å; E38-I41 PolarHBondContact O-N 3.14Å; D39-I41 VanDerWaalsContact C-N 3.34Å; D39-I41 PolarHBondContact O-N 3.02Å; I41-R43 PolarHBondContact O-N 3.32Å; I41-G44 PolarHBondContact O-N 3.37Å; I41-V47 HydrophobicContact CD1-CG1 3.91Å; I41-V47 HydrophobicContact CG1-CG1 3.85Å; I41-V47 HydrophobicContact CG2-CG1 4.14Å; I41-L71 HydrophobicContact CD1-CG 4.5Å; I41-L72 HydrophobicContact CD1-CD2 3.96Å; I41-K75 HydrophobicContact CD1-CG 4.4Å; I41-K75 HydrophobicContact CG2-CB 4.17Å; I41-K75 HydrophobicContact CG2-CD 4.36Å; I41-K75 HydrophobicContact CG2-CG 4.01Å
42R92.6Very high86.3Confident177 Ų17764.7 Ų64.767%0.66834%0.337SS*.Hα-helixtrans-58.2-33.3176.5-74.5175.4-174165.50.7112.7E38 D39 G44E38-R42 VanDerWaalsContact CD-CZ 3.5Å; E38-R42 WeakPolarHBondContact O-CB 3.14Å; E38-R42 VanDerWaalsContact O-CG 3.29Å; E38-R42 WeakPolarHBondContact O-CG 3.07Å; E38-R42 PolarHBondContact O-N 3.34Å; E38-R42 IonicContact OE1-CZ 3.39Å; E38-R42 IonicContact OE1-NE 2.65Å; E38-R42 IonicContact OE1-NH2 3.16Å; E38-R42 PolarHBondContact OE1-NH2 3.12Å; E38-R42 IonicContact OE2-CZ 2.94Å; E38-R42 IonicContact OE2-NH2 3.24Å; E38-R42 PolarHBondContact OE2-NH2 3.28Å; E38-R42 VanDerWaalsContact OE2-NH2 3.13Å; D39-R42 PolarHBondContact O-N 3.48Å; R42-G44 PolarHBondContact O-N 3.21Å
43R91.3Very high87.5Confident115 Ų11565.9 Ų65.943%0.43435%0.346SS..THydrogen-bonded Turntrans-79.11.5176.4-70.2164.461.3-165.6-2.8113.9L18 D39 L40 I41L18-R43 HydrophobicContact CD1-CB 4.23Å; L18-R43 VanDerWaalsContact CD1-O 3.27Å; L18-R43 WeakPolarHBondContact CD1-O 3.4Å; D39-R43 WeakPolarHBondContact O-CB 3.39Å; D39-R43 WeakPolarHBondContact O-CD 3.02Å; D39-R43 VanDerWaalsContact O-CG 3.26Å; D39-R43 WeakPolarHBondContact O-CG 3.12Å; D39-R43 PolarHBondContact O-N 3.41Å; D39-R43 WeakPolarHBondContact OD2-CD 3.35Å; D39-R43 IonicContact OD2-CZ 3.45Å; D39-R43 IonicContact OD2-NE 3.62Å; D39-R43 IonicContact OD2-NH1 3.83Å; D39-R43 PolarHBondContact OD2-NH1 3.49Å; L40-R43 PolarHBondContact O-N 2.81Å; I41-R43 PolarHBondContact O-N 3.32Å
44G90.1Very high89.1Confident58 Ų5863 Ų6360%0.59833%0.326SS*.THydrogen-bonded Turntrans95.323.5175.900000114.7L40 I41 R42 D46L40-G44 PolarHBondContact O-N 2.85Å; I41-G44 PolarHBondContact O-N 3.37Å; R42-G44 PolarHBondContact O-N 3.21Å; G44-D46 PolarHBondContact O-N 3.37Å
45A92.4Very high90.4Very high6 Ų658.3 Ų58.35%0.0530%0.304CS..  trans-63.8124.1166.200000109.9L18 L22 L40 V47L18-A45 HydrophobicContact CB-CB 4.03Å; L22-A45 HydrophobicContact CB-CB 4.16Å; L22-A45 HydrophobicContact CD2-CB 4Å; L40-A45 HydrophobicContact CB-CB 4.24Å; L40-A45 WeakPolarHBondContact O-CB 3.24Å; L40-A45 PolarHBondContact O-N 3.07Å; A45-V47 PolarHBondContact O-N 2.71Å
46D93.5Very high91.3Very high71 Ų7157.7 Ų57.738%0.3830%0.3SS..  trans-71.2116.3174173.24.5000110.4S19 G44 N48 R49S19-D46 PolarHBondContact OG-N 2.75Å; S19-D46 PolarHBondContact OG-O 3.39Å; G44-D46 PolarHBondContact O-N 3.37Å; D46-N48 PolarHBondContact O-N 3.46Å; D46-N48 WeakPolarHBondContact OD1-CA 3.4Å; D46-N48 PolarHBondContact OD1-N 2.83Å; D46-R49 HydrophobicContact CB-CB 3.89Å; D46-R49 WeakPolarHBondContact O-CB 3.28Å; D46-R49 PolarHBondContact O-N 3.15Å; D46-R49 PolarHBondContact OD1-N 2.84Å
47V94.9Very high91.8Very high11 Ų1153.6 Ų53.67%0.06728%0.279CS..THydrogen-bonded Turntrans-70.9-12.6-179-62.80000113.7L22 I41 A45 P56 L72 K75 A77L22-V47 HydrophobicContact CD2-CG1 4.44Å; I41-V47 HydrophobicContact CD1-CG1 3.91Å; I41-V47 HydrophobicContact CG1-CG1 3.85Å; I41-V47 HydrophobicContact CG2-CG1 4.14Å; A45-V47 PolarHBondContact O-N 2.71Å; V47-P56 WeakPolarHBondContact O-CD 3.45Å; V47-P56 WeakPolarHBondContact O-CG 3.36Å; V47-L72 HydrophobicContact CB-CD2 4.24Å; V47-L72 HydrophobicContact CG1-CD2 4.03Å; V47-K75 HydrophobicContact CG1-CB 4.19Å; V47-A77 HydrophobicContact CG2-CB 4.48Å
48N94.9Very high92.1Very high32 Ų3252.7 Ų52.717%0.17127%0.273CS..THydrogen-bonded Turntrans-108.5-4.6179.2-69.7-49.6000112.9D46 M50 K55 G76 A77 E78D46-N48 PolarHBondContact O-N 3.46Å; D46-N48 WeakPolarHBondContact OD1-CA 3.4Å; D46-N48 PolarHBondContact OD1-N 2.83Å; N48-M50 PolarHBondContact O-N 3.23Å; N48-K55 PolarHBondContact O-NZ 3.27Å; N48-G76 PolarHBondContact ND2-O 3.11Å; N48-A77 WeakPolarHBondContact OD1-CA 3.45Å; N48-E78 PolarHBondContact OD1-N 3.15Å
49R92.6Very high92.2Very high157 Ų15749.7 Ų49.759%0.59226%0.259SS*.  trans-66.6122.6-179.8-17073.4-174-173.11.9110.4I23 D46I23-R49 WeakPolarHBondContact CD1-O 3.28Å; D46-R49 HydrophobicContact CB-CB 3.89Å; D46-R49 WeakPolarHBondContact O-CB 3.28Å; D46-R49 PolarHBondContact O-N 3.15Å; D46-R49 PolarHBondContact OD1-N 2.84Å
50M88.6Confident92.4Very high78 Ų7846.8 Ų46.838%0.38424%0.244SC..  trans-75.6138.5174.8-162.8-176.4-68.100110.7N48 L54 K55N48-M50 PolarHBondContact O-N 3.23Å; M50-L54 CarbonylContact C-O 3.47Å; M50-L54 WeakPolarHBondContact CA-O 3.31Å; M50-L54 VanDerWaalsContact CG-O 3.28Å; M50-L54 WeakPolarHBondContact CG-O 3.42Å; M50-K55 HydrophobicContact CB-CG 4.13Å; M50-K55 HydrophobicContact CG-CG 4.27Å
51H84.4Confident92.7Very high63 Ų6346.8 Ų46.829%0.29224%0.244SC..BIsolated β-bridgetrans-125.3118.3167.6-178.571000109.4E20 I23 T53 L54E20-H51 VanDerWaalsContact CG-CE1 3.45Å; E20-H51 WeakPolarHBondContact CG-CE1 3.49Å; E20-H51 IonicContact OE1-CE1 3.99Å; E20-H51 PolarHBondContact OE1-CE1 3.09Å; E20-H51 IonicContact OE1-ND1 3.21Å; E20-H51 IonicContact OE1-NE2 2.79Å; E20-H51 PolarHBondContact OE1-NE2 3.47Å; E20-H51 IonicContact OE2-CE1 2.8Å; E20-H51 IonicContact OE2-ND1 3.66Å; I23-H51 HydrophobicContact CB-CB 4.46Å; I23-H51 HydrophobicContact CD1-CB 3.4Å; I23-H51 HydrophobicContact CG1-CB 4.47Å; I23-H51 HydrophobicContact CG2-CB 4.45Å; H51-T53 PolarHBondContact O-N 2.8Å; H51-L54 PolarHBondContact N-O 3.08Å; H51-L54 PolarHBondContact O-N 2.77Å
52G86Confident92.7Very high66 Ų6649.5 Ų49.568%0.6826%0.257SS*.THydrogen-bonded Turntrans65.7-122-16600000109.8
53T89.1Confident92.7Very high51 Ų5144.3 Ų44.331%0.31325%0.245SC..THydrogen-bonded Turntrans-97.1-14.3176.761.90000113.3H51 D83 G84 Y85H51-T53 PolarHBondContact O-N 2.8Å; T53-D83 CarbonylContact O-C 3.49Å; T53-D83 VanDerWaalsContact O-CA 3.29Å; T53-D83 WeakPolarHBondContact O-CA 3.1Å; T53-D83 VanDerWaalsContact O-CB 3.22Å; T53-D83 WeakPolarHBondContact O-CB 3.47Å; T53-G84 PolarHBondContact O-N 3.09Å; T53-Y85 HydrophobicContact CG2-CE2 4.09Å
54L92.7Very high92.9Very high31 Ų3140.8 Ų40.816%0.16224%0.24CC..BIsolated β-bridgetrans-107.6155.3-167.6-61.8171.1000112M50 H51 H58 M62 D83 Y92M50-L54 CarbonylContact C-O 3.47Å; M50-L54 WeakPolarHBondContact CA-O 3.31Å; M50-L54 VanDerWaalsContact CG-O 3.28Å; M50-L54 WeakPolarHBondContact CG-O 3.42Å; H51-L54 PolarHBondContact N-O 3.08Å; H51-L54 PolarHBondContact O-N 2.77Å; L54-H58 HydrophobicContact CB-CB 4.36Å; L54-H58 HydrophobicContact CD2-CB 3.87Å; L54-M62 HydrophobicContact CD1-CE 4.36Å; L54-M62 HydrophobicContact CD1-SD 3.59Å; L54-M62 VanDerWaalsContact CD1-SD 3.59Å; L54-M62 HydrophobicContact CD2-SD 4.15Å; L54-D83 HydrophobicContact CD2-CB 4.26Å; L54-D83 WeakPolarHBondContact CD2-OD2 3.37Å; L54-Y92 HydrophobicContact CD2-CE2 4.3Å
55K95.1Very high93.1Very high28 Ų2841 Ų4112%0.12223%0.228CC..  trans-108.8162.3169.6-65173.6173.9-112.10108.9N48 M50 L57 H58 C59 E78 A81N48-K55 PolarHBondContact O-NZ 3.27Å; M50-K55 HydrophobicContact CB-CG 4.13Å; M50-K55 HydrophobicContact CG-CG 4.27Å; K55-L57 PolarHBondContact O-N 3.43Å; K55-H58 WeakPolarHBondContact CB-ND1 3.48Å; K55-H58 PolarHBondContact N-ND1 3.34Å; K55-H58 WeakPolarHBondContact O-CB 3.37Å; K55-H58 PolarHBondContact O-N 3.48Å; K55-C59 PolarHBondContact O-N 3.43Å; K55-E78 IonicContact NZ-OE2 3Å; K55-E78 PolarHBondContact NZ-OE2 3.2Å; K55-A81 HydrophobicContact CD-CB 3.58Å
56P95.7Very high93.2Very high0 Ų042.6 Ų42.60%024%0.239CC..Hα-helixtrans-49-45.4179.9-29.738.1000113.3L22 I23 I26 V47 H58 C59 A60 L72L22-P56 HydrophobicContact CD2-CB 4.18Å; L22-P56 HydrophobicContact CD2-CG 3.83Å; L22-P56 HydrophobicContact CG-CB 4.46Å; L22-P56 HydrophobicContact CG-CG 4.34Å; I23-P56 HydrophobicContact CD1-CG 4.1Å; I23-P56 HydrophobicContact CG1-CB 4.33Å; I23-P56 HydrophobicContact CG1-CG 3.71Å; I26-P56 HydrophobicContact CD1-CB 3.71Å; V47-P56 WeakPolarHBondContact O-CD 3.45Å; V47-P56 WeakPolarHBondContact O-CG 3.36Å; P56-H58 PolarHBondContact O-N 2.86Å; P56-C59 WeakPolarHBondContact O-CB 3.3Å; P56-C59 PolarHBondContact O-N 3.36Å; P56-C59 VanDerWaalsContact O-N 3.13Å; P56-A60 PolarHBondContact O-N 2.91Å; P56-L72 HydrophobicContact CB-CD1 3.94Å; P56-L72 HydrophobicContact CB-CD2 3.9Å
57L97.3Very high93.2Very high6 Ų644.9 Ų44.93%0.03125%0.251CS..Hα-helixtrans-61.8-41.4-179.8-168.666.1000112.7K55 C59 A60 C61 V69 L72 L73 A77 A89 L104K55-L57 PolarHBondContact O-N 3.43Å; L57-C59 VanDerWaalsContact C-N 3.32Å; L57-C59 PolarHBondContact O-N 3.08Å; L57-A60 PolarHBondContact O-N 3.41Å; L57-C61 PolarHBondContact O-N 3.44Å; L57-C61 PolarHBondContact O-SG 2.83Å; L57-C61 VanDerWaalsContact O-SG 3.35Å; L57-V69 HydrophobicContact CD1-CG1 4.09Å; L57-L72 HydrophobicContact CD1-CB 4.14Å; L57-L72 HydrophobicContact CD1-CD1 4.47Å; L57-L73 HydrophobicContact CD1-CD2 4.14Å; L57-L73 HydrophobicContact CD1-CG 4.03Å; L57-L73 HydrophobicContact CD2-CD2 3.95Å; L57-A77 HydrophobicContact CB-CB 4.36Å; L57-A77 HydrophobicContact CD1-CB 4.47Å; L57-A77 HydrophobicContact CD2-CB 4.3Å; L57-A89 HydrophobicContact CB-CB 4.45Å; L57-A89 HydrophobicContact CD2-CB 3.8Å; L57-A89 HydrophobicContact CG-CB 3.69Å; L57-L104 HydrophobicContact CD1-CD2 4.37Å; L57-L104 HydrophobicContact CD2-CD2 4.1Å; L57-L104 HydrophobicContact CG-CD2 4.41Å
58H96.3Very high93.2Very high2 Ų244.7 Ų44.71%0.00925%0.25CC..Hα-helixtrans-60-43.6174.3-60.7111.7000111.6L54 K55 P56 C61 M62 A81 R87 A89 Y92L54-H58 HydrophobicContact CB-CB 4.36Å; L54-H58 HydrophobicContact CD2-CB 3.87Å; K55-H58 WeakPolarHBondContact CB-ND1 3.48Å; K55-H58 PolarHBondContact N-ND1 3.34Å; K55-H58 WeakPolarHBondContact O-CB 3.37Å; K55-H58 PolarHBondContact O-N 3.48Å; P56-H58 PolarHBondContact O-N 2.86Å; H58-C61 PolarHBondContact O-N 3.05Å; H58-M62 VanDerWaalsContact O-CG 3.29Å; H58-M62 WeakPolarHBondContact O-CG 3.36Å; H58-M62 PolarHBondContact O-N 3.31Å; H58-A81 PolarHBondContact CE1-O 2.9Å; H58-A81 PolarHBondContact NE2-O 3.4Å; H58-A81 VanDerWaalsContact NE2-O 3.16Å; H58-R87 PolarHBondContact NE2-O 3.43Å; H58-R87 VanDerWaalsContact NE2-O 3.15Å; H58-A89 PolarHBondContact CD2-N 3.2Å; H58-A89 VanDerWaalsContact CD2-N 3.26Å; H58-A89 PolarHBondContact NE2-N 2.92Å; H58-Y92 HydrophobicContact CB-CD2 4.26Å; H58-Y92 HydrophobicContact CB-CE2 4.23Å; H58-Y92 AromaticContact CD2-CD2 3.84Å; H58-Y92 AromaticContact CD2-CE2 3.74Å
59C94.4Very high93.4Very high6 Ų643.2 Ų43.24%0.04124%0.242CC..Hα-helixtrans-65.7-40.1179.9-65.90000112.2I26 K55 P56 L57 M62 V63I26-C59 HydrophobicContact CB-CB 4.4Å; I26-C59 HydrophobicContact CG2-CB 3.78Å; K55-C59 PolarHBondContact O-N 3.43Å; P56-C59 WeakPolarHBondContact O-CB 3.3Å; P56-C59 PolarHBondContact O-N 3.36Å; P56-C59 VanDerWaalsContact O-N 3.13Å; L57-C59 VanDerWaalsContact C-N 3.32Å; L57-C59 PolarHBondContact O-N 3.08Å; C59-M62 WeakPolarHBondContact O-CB 3.39Å; C59-M62 PolarHBondContact O-N 3.09Å; C59-V63 WeakPolarHBondContact O-CG2 3.21Å; C59-V63 PolarHBondContact O-N 3.44Å
60A95.5Very high93.6Very high0 Ų039.6 Ų39.60%023%0.232CC..Hα-helixtrans-61.1-44.5177.700000111.3I26 P56 L57 M62 V63 A64 D65 C68 V69 L72I26-A60 HydrophobicContact CG2-CB 3.95Å; P56-A60 PolarHBondContact O-N 2.91Å; L57-A60 PolarHBondContact O-N 3.41Å; A60-M62 PolarHBondContact O-N 3.03Å; A60-V63 VanDerWaalsContact O-CG2 3.27Å; A60-V63 WeakPolarHBondContact O-CG2 3.49Å; A60-V63 PolarHBondContact O-N 3.21Å; A60-A64 PolarHBondContact O-N 2.97Å; A60-A64 VanDerWaalsContact O-N 3.16Å; A60-D65 PolarHBondContact O-N 3.27Å; A60-D65 VanDerWaalsContact O-N 3.16Å; A60-C68 HydrophobicContact CB-CB 4.24Å; A60-V69 HydrophobicContact CB-CG2 3.64Å; A60-L72 HydrophobicContact CB-CD1 3.91Å
61C96.3Very high94Very high0 Ų037.5 Ų37.50%022%0.222CC..Hα-helixtrans-66.6-34.6175-600000113.2L57 H58 V63 A64 V69 A93L57-C61 PolarHBondContact O-N 3.44Å; L57-C61 PolarHBondContact O-SG 2.83Å; L57-C61 VanDerWaalsContact O-SG 3.35Å; H58-C61 PolarHBondContact O-N 3.05Å; C61-V63 VanDerWaalsContact C-N 3.26Å; C61-V63 PolarHBondContact O-N 3.39Å; C61-A64 PolarHBondContact O-N 2.88Å; C61-V69 VanDerWaalsContact SG-CG2 3.6Å; C61-A93 HydrophobicContact CB-CB 4.07Å
62M92.8Very high94.6Very high81 Ų8134.5 Ų34.540%0.39921%0.208SC..Hα-helixtrans-64.2-30.6176.8-77.2177.267.500113.3L54 H58 C59 A60 Y92L54-M62 HydrophobicContact CD1-CE 4.36Å; L54-M62 HydrophobicContact CD1-SD 3.59Å; L54-M62 VanDerWaalsContact CD1-SD 3.59Å; L54-M62 HydrophobicContact CD2-SD 4.15Å; H58-M62 VanDerWaalsContact O-CG 3.29Å; H58-M62 WeakPolarHBondContact O-CG 3.36Å; H58-M62 PolarHBondContact O-N 3.31Å; C59-M62 WeakPolarHBondContact O-CB 3.39Å; C59-M62 PolarHBondContact O-N 3.09Å; A60-M62 PolarHBondContact O-N 3.03Å; M62-Y92 HydrophobicContact CG-CD1 3.34Å; M62-Y92 HydrophobicContact CG-CE1 3.95Å; M62-Y92 HydrophobicContact CG-CG 3.77Å; M62-Y92 HydrophobicContact SD-CD1 3.92Å; M62-Y92 HydrophobicContact SD-CE1 3.87Å
63V92.8Very high95.2Very high68 Ų6832 Ų3241%0.41218%0.179SC..THydrogen-bonded Turntrans-961.8177.9-58.40000113.3C59 A60 C61 D65C59-V63 WeakPolarHBondContact O-CG2 3.21Å; C59-V63 PolarHBondContact O-N 3.44Å; A60-V63 VanDerWaalsContact O-CG2 3.27Å; A60-V63 WeakPolarHBondContact O-CG2 3.49Å; A60-V63 PolarHBondContact O-N 3.21Å; C61-V63 VanDerWaalsContact C-N 3.26Å; C61-V63 PolarHBondContact O-N 3.39Å; V63-D65 VanDerWaalsContact C-N 3.34Å; V63-D65 HydrophobicContact CG2-CB 3.83Å; V63-D65 PolarHBondContact O-N 2.94Å
64A94.9Very high95.6Very high42 Ų4235 Ų3535%0.34719%0.189SC..THydrogen-bonded Turntrans56.542.1-178.500000113.7A60 C61 K96 D97A60-A64 PolarHBondContact O-N 2.97Å; A60-A64 VanDerWaalsContact O-N 3.16Å; C61-A64 PolarHBondContact O-N 2.88Å; A64-K96 HydrophobicContact CB-CB 4.34Å; A64-D97 HydrophobicContact CB-CB 3.65Å
65D94.2Very high95.8Very high63 Ų6338.3 Ų38.334%0.33720%0.202SC..  trans-101.588.4177.9-174-15.7000109.9A60 V63 D67 C68 V69A60-D65 PolarHBondContact O-N 3.27Å; A60-D65 VanDerWaalsContact O-N 3.16Å; V63-D65 VanDerWaalsContact C-N 3.34Å; V63-D65 HydrophobicContact CG2-CB 3.83Å; V63-D65 PolarHBondContact O-N 2.94Å; D65-D67 VanDerWaalsContact C-N 3.31Å; D65-D67 PolarHBondContact O-N 3.23Å; D65-D67 PolarHBondContact OD1-N 3.4Å; D65-C68 HydrophobicContact CB-CB 3.9Å; D65-C68 PolarHBondContact O-N 3.34Å; D65-C68 WeakPolarHBondContact OD1-CB 3.32Å; D65-C68 PolarHBondContact OD1-N 2.82Å; D65-C68 WeakPolarHBondContact OD2-CB 3.41Å; D65-V69 WeakPolarHBondContact O-CG2 3.45Å; D65-V69 PolarHBondContact O-N 3.33Å
66S94.6Very high95.8Very high39 Ų3939.1 Ų39.127%0.27322%0.219SC..Hα-helixtrans-60.4-38.6-178.255.90000112.7C68 V69 E70S66-C68 VanDerWaalsContact C-N 3.33Å; S66-C68 PolarHBondContact O-N 3.22Å; S66-V69 WeakPolarHBondContact O-CB 3.2Å; S66-V69 PolarHBondContact O-N 2.96Å; S66-E70 PolarHBondContact O-N 3.48Å
67D94.8Very high95.9Very high119 Ų11939.6 Ų39.664%0.63622%0.223SC*.Hα-helixtrans-65.2-40.9179.8-62.5-13.6000110.2D65 L71D65-D67 VanDerWaalsContact C-N 3.31Å; D65-D67 PolarHBondContact O-N 3.23Å; D65-D67 PolarHBondContact OD1-N 3.4Å; D67-L71 WeakPolarHBondContact O-CB 3.36Å; D67-L71 PolarHBondContact O-N 3Å
68C95.2Very high96Very high7 Ų744.2 Ų44.25%0.04725%0.245CC..Hα-helixtrans-69-37.5174.7-171.80000112.2A60 D65 S66 L72A60-C68 HydrophobicContact CB-CB 4.24Å; D65-C68 HydrophobicContact CB-CB 3.9Å; D65-C68 PolarHBondContact O-N 3.34Å; D65-C68 WeakPolarHBondContact OD1-CB 3.32Å; D65-C68 PolarHBondContact OD1-N 2.82Å; D65-C68 WeakPolarHBondContact OD2-CB 3.41Å; S66-C68 VanDerWaalsContact C-N 3.33Å; S66-C68 PolarHBondContact O-N 3.22Å; C68-L72 WeakPolarHBondContact O-CB 3.42Å; C68-L72 WeakPolarHBondContact O-CG 3.23Å; C68-L72 PolarHBondContact O-N 3.13Å
69V97.4Very high96.1Very high0 Ų045.2 Ų45.20%025%0.25CS..Hα-helixtrans-59.6-51.4173.2168.40000110.4L57 A60 C61 D65 S66 L71 L72 L73 L104L57-V69 HydrophobicContact CD1-CG1 4.09Å; A60-V69 HydrophobicContact CB-CG2 3.64Å; C61-V69 VanDerWaalsContact SG-CG2 3.6Å; D65-V69 WeakPolarHBondContact O-CG2 3.45Å; D65-V69 PolarHBondContact O-N 3.33Å; S66-V69 WeakPolarHBondContact O-CB 3.2Å; S66-V69 PolarHBondContact O-N 2.96Å; V69-L71 PolarHBondContact O-N 2.84Å; V69-L72 PolarHBondContact O-N 2.99Å; V69-L73 HydrophobicContact CG1-CD1 3.74Å; V69-L73 HydrophobicContact CG1-CG 4.48Å; V69-L73 VanDerWaalsContact O-CG 3.28Å; V69-L73 WeakPolarHBondContact O-CG 3.44Å; V69-L73 PolarHBondContact O-N 2.89Å; V69-L104 HydrophobicContact CG1-CD2 4.23Å; V69-L104 HydrophobicContact CG1-CG 4.29Å
70E97.6Very high96.2Very high81 Ų8147.2 Ų47.238%0.37926%0.261SS..Hα-helixtrans-58.1-50.4178.1-175.3174.4-136.800111S66 L72 L73 E74 L103S66-E70 PolarHBondContact O-N 3.48Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 2.8Å; E70-L73 PolarHBondContact O-N 3.4Å; E70-L73 VanDerWaalsContact O-N 3.15Å; E70-E74 WeakPolarHBondContact O-CG 3.49Å; E70-E74 PolarHBondContact O-N 2.84Å; E70-L103 HydrophobicContact CB-CD1 4.43Å
71L96.9Very high96.3Very high35 Ų3547.7 Ų47.718%0.18327%0.265CS..Hα-helixtrans-55.6-45.1177.2175.763.7000112.2V37 E38 I41 D67 V69 E74 K75V37-L71 HydrophobicContact CB-CD2 4.44Å; V37-L71 HydrophobicContact CG1-CD2 3.85Å; E38-L71 HydrophobicContact CB-CD2 4.21Å; I41-L71 HydrophobicContact CD1-CG 4.5Å; D67-L71 WeakPolarHBondContact O-CB 3.36Å; D67-L71 PolarHBondContact O-N 3Å; V69-L71 PolarHBondContact O-N 2.84Å; L71-E74 PolarHBondContact O-N 3.16Å; L71-K75 HydrophobicContact CD1-CG 4.2Å; L71-K75 WeakPolarHBondContact O-CG 3.19Å; L71-K75 PolarHBondContact O-N 2.79Å; L71-K75 VanDerWaalsContact O-N 3.13Å
72L97.4Very high96.4Very high0 Ų051.7 Ų51.70%029%0.286CS..Hα-helixtrans-65.2-41.3-180-73.1169.8000111.7I26 I41 V47 P56 L57 A60 C68 V69 E70 K75 G76 A77I26-L72 HydrophobicContact CD1-CD1 3.98Å; I26-L72 HydrophobicContact CD1-CD2 4.46Å; I41-L72 HydrophobicContact CD1-CD2 3.96Å; V47-L72 HydrophobicContact CB-CD2 4.24Å; V47-L72 HydrophobicContact CG1-CD2 4.03Å; P56-L72 HydrophobicContact CB-CD1 3.94Å; P56-L72 HydrophobicContact CB-CD2 3.9Å; L57-L72 HydrophobicContact CD1-CB 4.14Å; L57-L72 HydrophobicContact CD1-CD1 4.47Å; A60-L72 HydrophobicContact CB-CD1 3.91Å; C68-L72 WeakPolarHBondContact O-CB 3.42Å; C68-L72 WeakPolarHBondContact O-CG 3.23Å; C68-L72 PolarHBondContact O-N 3.13Å; V69-L72 PolarHBondContact O-N 2.99Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 2.8Å; L72-K75 CarbonylContact O-C 3.58Å; L72-K75 PolarHBondContact O-N 3Å; L72-G76 PolarHBondContact O-N 3.23Å; L72-A77 HydrophobicContact CB-CB 4Å; L72-A77 WeakPolarHBondContact O-CB 3.39Å; L72-A77 PolarHBondContact O-N 2.89Å
73L98Very high96.5Very high12 Ų1248.1 Ų48.16%0.06327%0.268CS..Hα-helixtrans-64.2-44.8177.5-68.9166.4000111.5L57 V69 E70 K75 G76 V79 L104 Y107L57-L73 HydrophobicContact CD1-CD2 4.14Å; L57-L73 HydrophobicContact CD1-CG 4.03Å; L57-L73 HydrophobicContact CD2-CD2 3.95Å; V69-L73 HydrophobicContact CG1-CD1 3.74Å; V69-L73 HydrophobicContact CG1-CG 4.48Å; V69-L73 VanDerWaalsContact O-CG 3.28Å; V69-L73 WeakPolarHBondContact O-CG 3.44Å; V69-L73 PolarHBondContact O-N 2.89Å; E70-L73 PolarHBondContact O-N 3.4Å; E70-L73 VanDerWaalsContact O-N 3.15Å; L73-K75 PolarHBondContact O-N 3.18Å; L73-G76 PolarHBondContact O-N 3.23Å; L73-V79 HydrophobicContact CD2-CB 3.95Å; L73-V79 HydrophobicContact CD2-CG2 4.08Å; L73-L104 HydrophobicContact CD1-CD2 4.21Å; L73-L104 HydrophobicContact CD2-CD2 4.45Å; L73-Y107 HydrophobicContact CB-CD1 3.7Å; L73-Y107 HydrophobicContact CB-CD2 4.45Å; L73-Y107 HydrophobicContact CB-CE1 3.66Å; L73-Y107 HydrophobicContact CB-CE2 4.41Å; L73-Y107 HydrophobicContact CB-CG 4.09Å; L73-Y107 HydrophobicContact CD1-CD1 4.25Å; L73-Y107 HydrophobicContact CD1-CD2 3.77Å; L73-Y107 HydrophobicContact CD1-CE2 4.23Å; L73-Y107 HydrophobicContact CD1-CG 3.75Å; L73-Y107 HydrophobicContact CD2-CD1 4.38Å; L73-Y107 HydrophobicContact CD2-CG 4.37Å; L73-Y107 HydrophobicContact CG-CD1 4.33Å; L73-Y107 HydrophobicContact CG-CG 4.29Å
74E97.6Very high96.5Very high115 Ų11547 Ų4754%0.53727%0.271SS..Hα-helixtrans-58.6-31.8173.9-72.9-170.6157.600113E70 L71 G76E70-E74 WeakPolarHBondContact O-CG 3.49Å; E70-E74 PolarHBondContact O-N 2.84Å; L71-E74 PolarHBondContact O-N 3.16Å; E74-G76 VanDerWaalsContact C-N 3.26Å; E74-G76 PolarHBondContact O-N 2.88Å
75K96.8Very high96.4Very high100 Ų10051.8 Ų51.844%0.43528%0.281SS..THydrogen-bonded Turntrans-88.210.6178.2-58.6-60.1173.7-146.60113.3I41 V47 L71 L72 L73I41-K75 HydrophobicContact CD1-CG 4.4Å; I41-K75 HydrophobicContact CG2-CB 4.17Å; I41-K75 HydrophobicContact CG2-CD 4.36Å; I41-K75 HydrophobicContact CG2-CG 4.01Å; V47-K75 HydrophobicContact CG1-CB 4.19Å; L71-K75 HydrophobicContact CD1-CG 4.2Å; L71-K75 WeakPolarHBondContact O-CG 3.19Å; L71-K75 PolarHBondContact O-N 2.79Å; L71-K75 VanDerWaalsContact O-N 3.13Å; L72-K75 CarbonylContact O-C 3.58Å; L72-K75 PolarHBondContact O-N 3Å; L73-K75 PolarHBondContact O-N 3.18Å
76G96.2Very high96.5Very high46 Ų4653 Ų5347%0.47429%0.287SS..THydrogen-bonded Turntrans8827.2172.500000114.3N48 L72 L73 E74 E78N48-G76 PolarHBondContact ND2-O 3.11Å; L72-G76 PolarHBondContact O-N 3.23Å; L73-G76 PolarHBondContact O-N 3.23Å; E74-G76 VanDerWaalsContact C-N 3.26Å; E74-G76 PolarHBondContact O-N 2.88Å; G76-E78 PolarHBondContact O-N 3.24Å
77A97.6Very high96.6Very high10 Ų1053.2 Ų53.28%0.08328%0.282CS..  trans-62.313516800000110.8V47 N48 L57 L72 V79V47-A77 HydrophobicContact CG2-CB 4.48Å; N48-A77 WeakPolarHBondContact OD1-CA 3.45Å; L57-A77 HydrophobicContact CB-CB 4.36Å; L57-A77 HydrophobicContact CD1-CB 4.47Å; L57-A77 HydrophobicContact CD2-CB 4.3Å; L72-A77 HydrophobicContact CB-CB 4Å; L72-A77 WeakPolarHBondContact O-CB 3.39Å; L72-A77 PolarHBondContact O-N 2.89Å; A77-V79 PolarHBondContact O-N 3.44Å; A77-V79 VanDerWaalsContact O-N 3.12Å
78E98.1Very high96.8Very high103 Ų10347.7 Ų47.748%0.48125%0.253SS..  trans-72.1101.8177.4-72.5166.7-176.400110.1N48 K55 G76 N80 A81N48-E78 PolarHBondContact OD1-N 3.15Å; K55-E78 IonicContact NZ-OE2 3Å; K55-E78 PolarHBondContact NZ-OE2 3.2Å; G76-E78 PolarHBondContact O-N 3.24Å; E78-N80 PolarHBondContact O-N 3.23Å; E78-A81 HydrophobicContact CB-CB 3.64Å; E78-A81 VanDerWaalsContact O-CB 3.28Å; E78-A81 WeakPolarHBondContact O-CB 3.17Å; E78-A81 PolarHBondContact O-N 3.33Å
79V98.1Very high96.9Very high22 Ų2247.4 Ų47.413%0.13325%0.251CS..THydrogen-bonded Turntrans-54.9-36.3-176.369.50000114L73 A77 L104 A109L73-V79 HydrophobicContact CD2-CB 3.95Å; L73-V79 HydrophobicContact CD2-CG2 4.08Å; A77-V79 PolarHBondContact O-N 3.44Å; A77-V79 VanDerWaalsContact O-N 3.12Å; V79-L104 HydrophobicContact CG2-CD2 3.89Å; V79-A109 HydrophobicContact CG2-CB 3.75Å
80N98.2Very high97Very high48 Ų4847.4 Ų47.426%0.25725%0.251SS..THydrogen-bonded Turntrans-102.916.9-179.4-68.4-55.2000112.8E78 G108 A109 Q110E78-N80 PolarHBondContact O-N 3.23Å; N80-G108 PolarHBondContact ND2-O 2.66Å; N80-A109 WeakPolarHBondContact OD1-CA 3.37Å; N80-Q110 PolarHBondContact OD1-N 2.83Å
81A97.5Very high97Very high10 Ų1043.7 Ų43.78%0.08323%0.233CC..  trans-61.5143.4176.100000111.1K55 H58 E78K55-A81 HydrophobicContact CD-CB 3.58Å; H58-A81 PolarHBondContact CE1-O 2.9Å; H58-A81 PolarHBondContact NE2-O 3.4Å; H58-A81 VanDerWaalsContact NE2-O 3.16Å; E78-A81 HydrophobicContact CB-CB 3.64Å; E78-A81 VanDerWaalsContact O-CB 3.28Å; E78-A81 WeakPolarHBondContact O-CB 3.17Å; E78-A81 PolarHBondContact O-N 3.33Å
82L97.2Very high97Very high85 Ų8543 Ų4345%0.44523%0.229SC..  trans-93.8141.1176.6-56.7-178.9000110.6R87 T88L82-R87 CarbonylContact C-O 3.54Å; L82-R87 WeakPolarHBondContact CA-O 3.43Å; L82-T88 HydrophobicContact CD2-CG2 3.74Å
83D94.8Very high97Very high5 Ų543 Ų433%0.02723%0.229CC..  trans-86-177.5168.2101.2-44.1000111T53 L54 Y85 N86 R87 Y92T53-D83 CarbonylContact O-C 3.49Å; T53-D83 VanDerWaalsContact O-CA 3.29Å; T53-D83 WeakPolarHBondContact O-CA 3.1Å; T53-D83 VanDerWaalsContact O-CB 3.22Å; T53-D83 WeakPolarHBondContact O-CB 3.47Å; L54-D83 HydrophobicContact CD2-CB 4.26Å; L54-D83 WeakPolarHBondContact CD2-OD2 3.37Å; D83-Y85 PolarHBondContact O-N 3.07Å; D83-Y85 WeakPolarHBondContact OD1-CA 3.41Å; D83-Y85 WeakPolarHBondContact OD1-CB 3.4Å; D83-Y85 PolarHBondContact OD1-N 3.3Å; D83-Y85 WeakPolarHBondContact OD2-CD2 3.49Å; D83-N86 PolarHBondContact O-N 3.38Å; D83-N86 VanDerWaalsContact O-N 3.09Å; D83-N86 PolarHBondContact OD1-N 3.01Å; D83-R87 PolarHBondContact N-O 2.95Å; D83-R87 WeakPolarHBondContact OD1-CB 3.42Å; D83-R87 PolarHBondContact OD1-N 3.48Å; D83-Y92 PolarHBondContact OD2-OH 3.08Å
84G92.9Very high96.9Very high46 Ų4642.5 Ų42.547%0.47423%0.226SC..THydrogen-bonded Turntrans-66.5-10.4179.200000115.7T53T53-G84 PolarHBondContact O-N 3.09Å
85Y92.8Very high96.7Very high142 Ų14238.9 Ų38.956%0.55721%0.209SC*.THydrogen-bonded Turntrans-106.114.7173.7-58.5-74.6000112.4T53 D83 R87 G116T53-Y85 HydrophobicContact CG2-CE2 4.09Å; D83-Y85 PolarHBondContact O-N 3.07Å; D83-Y85 WeakPolarHBondContact OD1-CA 3.41Å; D83-Y85 WeakPolarHBondContact OD1-CB 3.4Å; D83-Y85 PolarHBondContact OD1-N 3.3Å; D83-Y85 WeakPolarHBondContact OD2-CD2 3.49Å; Y85-R87 PolarHBondContact O-N 3.05Å; Y85-G116 PolarHBondContact O-N 2.91Å; Y85-G116 VanDerWaalsContact O-N 3.09Å
86N96.4Very high96.5Very high87 Ų8739.1 Ų39.147%0.46521%0.21SC..SBendtrans59.624.8-172.5-60.1-29.1000113.9D83 D115D83-N86 PolarHBondContact O-N 3.38Å; D83-N86 VanDerWaalsContact O-N 3.09Å; D83-N86 PolarHBondContact OD1-N 3.01Å; N86-D115 WeakPolarHBondContact O-CA 3.39Å
87R97.4Very high96.4Very high45 Ų4539.3 Ų39.317%0.1720%0.2CC..  trans-89.2146.2175.4-69.6176.21801759.1110.7H58 L82 D83 Y85 H91 Y92 D115 W124H58-R87 PolarHBondContact NE2-O 3.43Å; H58-R87 VanDerWaalsContact NE2-O 3.15Å; L82-R87 CarbonylContact C-O 3.54Å; L82-R87 WeakPolarHBondContact CA-O 3.43Å; D83-R87 PolarHBondContact N-O 2.95Å; D83-R87 WeakPolarHBondContact OD1-CB 3.42Å; D83-R87 PolarHBondContact OD1-N 3.48Å; Y85-R87 PolarHBondContact O-N 3.05Å; R87-H91 HydrophobicContact CB-CB 4.17Å; R87-H91 HydrophobicContact CG-CB 4.33Å; R87-Y92 HydrophobicContact CB-CE2 3.74Å; R87-D115 HydrophobicContact CB-CB 4.48Å; R87-D115 HydrophobicContact CG-CB 3.49Å; R87-D115 VanDerWaalsContact CG-CB 3.49Å; R87-D115 IonicContact CZ-OD2 3.9Å; R87-D115 IonicContact NE-OD2 3.92Å; R87-D115 PolarHBondContact NE-OD2 3.24Å; R87-D115 IonicContact NH2-OD2 3.63Å; R87-D115 PolarHBondContact NH2-OD2 2.89Å; R87-W124 VanDerWaalsContact NH2-CH2 3.27Å
88T98.2Very high96.3Very high3 Ų342.1 Ų42.12%0.01821%0.212CC..  trans-89.6164.7165.7640000110.7L82 L90 H91 Y92 A113L82-T88 HydrophobicContact CD2-CG2 3.74Å; T88-L90 PolarHBondContact O-N 3.34Å; T88-H91 PolarHBondContact N-ND1 3.24Å; T88-H91 VanDerWaalsContact N-ND1 3.14Å; T88-H91 WeakPolarHBondContact O-CB 3.46Å; T88-H91 PolarHBondContact O-N 3.33Å; T88-H91 PolarHBondContact OG1-CE1 2.92Å; T88-H91 PolarHBondContact OG1-ND1 3.47Å; T88-Y92 WeakPolarHBondContact O-CD2 3.38Å; T88-A113 HydrophobicContact CG2-CB 3.89Å
89A97.9Very high96.2Very high1 Ų138.4 Ų38.41%0.00820%0.201CC..Hα-helixtrans-53.4-34.9172.100000112.6L57 H58 H91 Y92 A93 L104L57-A89 HydrophobicContact CB-CB 4.45Å; L57-A89 HydrophobicContact CD2-CB 3.8Å; L57-A89 HydrophobicContact CG-CB 3.69Å; H58-A89 PolarHBondContact CD2-N 3.2Å; H58-A89 VanDerWaalsContact CD2-N 3.26Å; H58-A89 PolarHBondContact NE2-N 2.92Å; A89-H91 VanDerWaalsContact C-N 3.28Å; A89-H91 PolarHBondContact O-N 2.89Å; A89-Y92 PolarHBondContact O-N 2.92Å; A89-Y92 VanDerWaalsContact O-N 3.07Å; A89-A93 PolarHBondContact O-N 3.43Å; A89-L104 HydrophobicContact CB-CD1 4.02Å; A89-L104 HydrophobicContact CB-CD2 4.07Å
90L98.4Very high96.2Very high0 Ų037.3 Ų37.30%020%0.195CC..Hα-helixtrans-62-30.6178.7-171.162.3000113.3T88 Y92 A94 V101 L104 L105 A109 P121 L137T88-L90 PolarHBondContact O-N 3.34Å; L90-Y92 VanDerWaalsContact C-N 3.32Å; L90-Y92 PolarHBondContact O-N 2.88Å; L90-A94 WeakPolarHBondContact O-CB 3.4Å; L90-A94 PolarHBondContact O-N 2.97Å; L90-V101 HydrophobicContact CD1-CB 4.35Å; L90-V101 HydrophobicContact CD1-CG1 4.11Å; L90-V101 HydrophobicContact CD1-CG2 4.24Å; L90-L104 HydrophobicContact CB-CD1 4.17Å; L90-L104 HydrophobicContact CD1-CB 4.07Å; L90-L104 HydrophobicContact CD1-CD1 4.11Å; L90-L105 HydrophobicContact CD1-CG 4.29Å; L90-L105 HydrophobicContact CD2-CD2 3.93Å; L90-A109 HydrophobicContact CB-CB 4.3Å; L90-A109 HydrophobicContact CD2-CB 3.9Å; L90-A109 HydrophobicContact CG-CB 4.49Å; L90-P121 HydrophobicContact CB-CG 4.22Å; L90-P121 HydrophobicContact CD2-CB 4.25Å; L90-P121 HydrophobicContact CD2-CG 3.88Å; L90-P121 HydrophobicContact CG-CB 3.92Å; L90-P121 HydrophobicContact CG-CG 3.83Å; L90-L137 HydrophobicContact CD1-CD2 4.19Å; L90-L137 HydrophobicContact CD2-CD2 4.02Å; L90-L137 HydrophobicContact CG-CD2 4.24Å
91H98.1Very high96.2Very high2 Ų235 Ų351%0.00918%0.182CC..Hα-helixtrans-64.7-38.5174.8-6880000111.9R87 T88 A89 A113 D119 W124R87-H91 HydrophobicContact CB-CB 4.17Å; R87-H91 HydrophobicContact CG-CB 4.33Å; T88-H91 PolarHBondContact N-ND1 3.24Å; T88-H91 VanDerWaalsContact N-ND1 3.14Å; T88-H91 WeakPolarHBondContact O-CB 3.46Å; T88-H91 PolarHBondContact O-N 3.33Å; T88-H91 PolarHBondContact OG1-CE1 2.92Å; T88-H91 PolarHBondContact OG1-ND1 3.47Å; A89-H91 VanDerWaalsContact C-N 3.28Å; A89-H91 PolarHBondContact O-N 2.89Å; H91-A113 PolarHBondContact NE2-O 3.03Å; H91-D119 PolarHBondContact NE2-O 2.88Å; H91-D119 VanDerWaalsContact NE2-O 3.16Å; H91-W124 AromaticContact CD2-CD1 3.69Å; H91-W124 AromaticContact CD2-NE1 3.85Å
92Y96.6Very high96.2Very high22 Ų2239 Ų399%0.08620%0.199CC..Hα-helixtrans-75.6-41.7178.9-65.2-79.9000111.7L54 H58 M62 D83 R87 T88 A89 L90 A94 E95L54-Y92 HydrophobicContact CD2-CE2 4.3Å; H58-Y92 HydrophobicContact CB-CD2 4.26Å; H58-Y92 HydrophobicContact CB-CE2 4.23Å; H58-Y92 AromaticContact CD2-CD2 3.84Å; H58-Y92 AromaticContact CD2-CE2 3.74Å; M62-Y92 HydrophobicContact CG-CD1 3.34Å; M62-Y92 HydrophobicContact CG-CE1 3.95Å; M62-Y92 HydrophobicContact CG-CG 3.77Å; M62-Y92 HydrophobicContact SD-CD1 3.92Å; M62-Y92 HydrophobicContact SD-CE1 3.87Å; D83-Y92 PolarHBondContact OD2-OH 3.08Å; R87-Y92 HydrophobicContact CB-CE2 3.74Å; T88-Y92 WeakPolarHBondContact O-CD2 3.38Å; A89-Y92 PolarHBondContact O-N 2.92Å; A89-Y92 VanDerWaalsContact O-N 3.07Å; L90-Y92 VanDerWaalsContact C-N 3.32Å; L90-Y92 PolarHBondContact O-N 2.88Å; Y92-A94 VanDerWaalsContact C-N 3.32Å; Y92-A94 PolarHBondContact O-N 2.98Å; Y92-E95 PolarHBondContact O-N 2.87Å
93A97.5Very high96.3Very high0 Ų036.3 Ų36.30%019%0.185CC..Hα-helixtrans-59-44.9175.300000111.1C61 A89 E95 K96 D97 C100 V101 L104C61-A93 HydrophobicContact CB-CB 4.07Å; A89-A93 PolarHBondContact O-N 3.43Å; A93-E95 PolarHBondContact O-N 3.41Å; A93-E95 VanDerWaalsContact O-N 3.15Å; A93-K96 PolarHBondContact O-N 3.07Å; A93-D97 PolarHBondContact O-N 2.91Å; A93-C100 HydrophobicContact CB-CB 3.7Å; A93-V101 HydrophobicContact CB-CG2 3.74Å; A93-L104 HydrophobicContact CB-CD1 3.74Å
94A97.2Very high96.4Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-58.6-28.6178.500000114L90 Y92 V101 P121 W124 A125 N130 L137L90-A94 WeakPolarHBondContact O-CB 3.4Å; L90-A94 PolarHBondContact O-N 2.97Å; Y92-A94 VanDerWaalsContact C-N 3.32Å; Y92-A94 PolarHBondContact O-N 2.98Å; A94-V101 HydrophobicContact CB-CG2 4.36Å; A94-P121 HydrophobicContact CB-CB 3.97Å; A94-P121 VanDerWaalsContact CB-O 3.3Å; A94-P121 WeakPolarHBondContact CB-O 3.39Å; A94-W124 HydrophobicContact CB-CB 4.47Å; A94-A125 HydrophobicContact CB-CB 4.14Å; A94-A125 VanDerWaalsContact O-CA 3.26Å; A94-A125 WeakPolarHBondContact O-CA 3.49Å; A94-A125 WeakPolarHBondContact O-CB 3.46Å; A94-N130 PolarHBondContact O-ND2 3.19Å; A94-L137 HydrophobicContact CB-CD1 4.09Å
95E93.4Very high96.7Very high39 Ų3935.1 Ų35.118%0.18217%0.167CC..Hα-helixtrans-76.6-20.4174157.7167.8-176.700113.1Y92 A93 K128 N130Y92-E95 PolarHBondContact O-N 2.87Å; A93-E95 PolarHBondContact O-N 3.41Å; A93-E95 VanDerWaalsContact O-N 3.15Å; E95-K128 HydrophobicContact CB-CG 4.01Å; E95-K128 VanDerWaalsContact CD-NZ 3.35Å; E95-K128 HydrophobicContact CG-CD 3.86Å; E95-K128 HydrophobicContact CG-CG 3.76Å; E95-K128 WeakPolarHBondContact OE1-CE 3.19Å; E95-K128 IonicContact OE1-NZ 3.52Å; E95-K128 PolarHBondContact OE1-NZ 2.91Å; E95-K128 IonicContact OE2-NZ 3.02Å; E95-N130 PolarHBondContact O-ND2 3.03Å
96K91.9Very high96.9Very high106 Ų10635.5 Ų35.546%0.46117%0.174SC..Hα-helixtrans-121.4-55.2-162.9-65.1-59.9-174.6-170.10115.1A64 A93A64-K96 HydrophobicContact CB-CB 4.34Å; A93-K96 PolarHBondContact O-N 3.07Å
97D93.6Very high97Very high50 Ų5035.8 Ų35.827%0.26717%0.17SC..  trans-151.3129.8-159.8179.965.7000112.1A64 A93 G99 C100 V101 C133A64-D97 HydrophobicContact CB-CB 3.65Å; A93-D97 PolarHBondContact O-N 2.91Å; D97-G99 PolarHBondContact OD2-N 3.1Å; D97-C100 HydrophobicContact CB-CB 4.33Å; D97-C100 PolarHBondContact OD2-N 3.38Å; D97-C100 PolarHBondContact OD2-SG 3.28Å; D97-V101 WeakPolarHBondContact O-CG2 3.48Å; D97-V101 PolarHBondContact O-N 3.49Å; D97-C133 VanDerWaalsContact C-SG 3.59Å
98E96.1Very high97Very high68 Ų6835.7 Ų35.732%0.31818%0.183SC..Hα-helixtrans-67.6-42.2179.9177.8-177.6-146.100111.7C100 V101 E102 E132 C133E98-C100 VanDerWaalsContact C-N 3.31Å; E98-C100 PolarHBondContact O-N 2.99Å; E98-V101 CarbonylContact O-C 3.58Å; E98-V101 WeakPolarHBondContact O-CA 3.35Å; E98-V101 VanDerWaalsContact O-CB 3.31Å; E98-V101 WeakPolarHBondContact O-CB 3.37Å; E98-V101 PolarHBondContact O-N 3.09Å; E98-E102 HydrophobicContact CG-CG 4.24Å; E98-E102 PolarHBondContact O-N 2.95Å; E98-E132 HydrophobicContact CB-CB 4.26Å; E98-E132 HydrophobicContact CG-CB 4.25Å; E98-E132 WeakPolarHBondContact OE2-CB 3.25Å; E98-C133 VanDerWaalsContact CA-SG 3.59Å; E98-C133 PolarHBondContact N-SG 3.42Å
99G96.4Very high97Very high25 Ų2535.9 Ų35.926%0.25819%0.185SC..Hα-helixtrans-60.1-41.7-178.600000112.2D97 V101 E102 L103D97-G99 PolarHBondContact OD2-N 3.1Å; G99-V101 VanDerWaalsContact C-N 3.32Å; G99-V101 PolarHBondContact O-N 3.49Å; G99-E102 PolarHBondContact O-N 2.94Å; G99-L103 WeakPolarHBondContact O-CB 3.05Å; G99-L103 WeakPolarHBondContact O-CG 3.24Å; G99-L103 PolarHBondContact O-N 2.93Å
100C97.8Very high97Very high0 Ų041.2 Ų41.20%021%0.209CC..Hα-helixtrans-62.6-37.2171.9-670000112.7A93 D97 E98 L104A93-C100 HydrophobicContact CB-CB 3.7Å; D97-C100 HydrophobicContact CB-CB 4.33Å; D97-C100 PolarHBondContact OD2-N 3.38Å; D97-C100 PolarHBondContact OD2-SG 3.28Å; E98-C100 VanDerWaalsContact C-N 3.31Å; E98-C100 PolarHBondContact O-N 2.99Å; C100-L104 WeakPolarHBondContact O-CB 3.5Å; C100-L104 WeakPolarHBondContact O-CD1 3.39Å; C100-L104 WeakPolarHBondContact O-CG 3.35Å; C100-L104 PolarHBondContact O-N 2.99Å; C100-L104 VanDerWaalsContact O-N 3.09Å
101V98.3Very high97Very high0 Ų042.3 Ų42.30%022%0.217CC..Hα-helixtrans-65.5-50.4177.3166.30000110.5L90 A93 A94 D97 E98 G99 L104 L105 C133 A136 L137L90-V101 HydrophobicContact CD1-CB 4.35Å; L90-V101 HydrophobicContact CD1-CG1 4.11Å; L90-V101 HydrophobicContact CD1-CG2 4.24Å; A93-V101 HydrophobicContact CB-CG2 3.74Å; A94-V101 HydrophobicContact CB-CG2 4.36Å; D97-V101 WeakPolarHBondContact O-CG2 3.48Å; D97-V101 PolarHBondContact O-N 3.49Å; E98-V101 CarbonylContact O-C 3.58Å; E98-V101 WeakPolarHBondContact O-CA 3.35Å; E98-V101 VanDerWaalsContact O-CB 3.31Å; E98-V101 WeakPolarHBondContact O-CB 3.37Å; E98-V101 PolarHBondContact O-N 3.09Å; G99-V101 VanDerWaalsContact C-N 3.32Å; G99-V101 PolarHBondContact O-N 3.49Å; V101-L104 PolarHBondContact O-N 3.02Å; V101-L105 HydrophobicContact CG1-CD1 3.57Å; V101-L105 HydrophobicContact CG1-CG 4.44Å; V101-L105 WeakPolarHBondContact O-CB 3.2Å; V101-L105 WeakPolarHBondContact O-CD1 3.39Å; V101-L105 WeakPolarHBondContact O-CG 3.37Å; V101-L105 PolarHBondContact O-N 3.24Å; V101-C133 HydrophobicContact CG2-CB 4.45Å; V101-A136 HydrophobicContact CG1-CB 4.06Å; V101-L137 HydrophobicContact CG1-CD2 4.1Å; V101-L137 HydrophobicContact CG1-CG 4.04Å
102E97.9Very high97Very high93 Ų9345.4 Ų45.444%0.43523%0.233SC..Hα-helixtrans-58.8-51.5179.3-68.8-175.1150.400111.1E98 G99 L104 L105 E106 A136E98-E102 HydrophobicContact CG-CG 4.24Å; E98-E102 PolarHBondContact O-N 2.95Å; G99-E102 PolarHBondContact O-N 2.94Å; E102-L104 PolarHBondContact O-N 2.94Å; E102-L105 PolarHBondContact O-N 3.21Å; E102-L105 VanDerWaalsContact O-N 3.1Å; E102-E106 WeakPolarHBondContact O-CG 3.23Å; E102-E106 PolarHBondContact O-N 3.04Å; E102-A136 HydrophobicContact CG-CB 4.25Å
103L97.9Very high97.1Very high28 Ų2844.7 Ų44.715%0.14723%0.232CC..Hα-helixtrans-56.4-46.9177.5-75.8170.9000112.2E70 G99 L105 E106 Y107E70-L103 HydrophobicContact CB-CD1 4.43Å; G99-L103 WeakPolarHBondContact O-CB 3.05Å; G99-L103 WeakPolarHBondContact O-CG 3.24Å; G99-L103 PolarHBondContact O-N 2.93Å; L103-L105 VanDerWaalsContact C-N 3.31Å; L103-L105 PolarHBondContact O-N 3.18Å; L103-E106 PolarHBondContact O-N 2.82Å; L103-Y107 VanDerWaalsContact O-CD2 3.3Å; L103-Y107 WeakPolarHBondContact O-CD2 3.3Å; L103-Y107 PolarHBondContact O-N 3.26Å
104L98.4Very high97.1Very high0 Ų049.3 Ų49.30%026%0.256CS..Hα-helixtrans-61.8-40.9178.5-76.1172.3000111.8L57 V69 L73 V79 A89 L90 A93 C100 V101 E102 Y107 G108 A109L57-L104 HydrophobicContact CD1-CD2 4.37Å; L57-L104 HydrophobicContact CD2-CD2 4.1Å; L57-L104 HydrophobicContact CG-CD2 4.41Å; V69-L104 HydrophobicContact CG1-CD2 4.23Å; V69-L104 HydrophobicContact CG1-CG 4.29Å; L73-L104 HydrophobicContact CD1-CD2 4.21Å; L73-L104 HydrophobicContact CD2-CD2 4.45Å; V79-L104 HydrophobicContact CG2-CD2 3.89Å; A89-L104 HydrophobicContact CB-CD1 4.02Å; A89-L104 HydrophobicContact CB-CD2 4.07Å; L90-L104 HydrophobicContact CB-CD1 4.17Å; L90-L104 HydrophobicContact CD1-CB 4.07Å; L90-L104 HydrophobicContact CD1-CD1 4.11Å; A93-L104 HydrophobicContact CB-CD1 3.74Å; C100-L104 WeakPolarHBondContact O-CB 3.5Å; C100-L104 WeakPolarHBondContact O-CD1 3.39Å; C100-L104 WeakPolarHBondContact O-CG 3.35Å; C100-L104 PolarHBondContact O-N 2.99Å; C100-L104 VanDerWaalsContact O-N 3.09Å; V101-L104 PolarHBondContact O-N 3.02Å; E102-L104 PolarHBondContact O-N 2.94Å; L104-Y107 CarbonylContact O-C 3.59Å; L104-Y107 PolarHBondContact O-N 3.04Å; L104-G108 PolarHBondContact O-N 3.01Å; L104-A109 VanDerWaalsContact C-CB 3.48Å; L104-A109 HydrophobicContact CB-CB 3.87Å; L104-A109 WeakPolarHBondContact O-CB 3.16Å; L104-A109 PolarHBondContact O-N 3.01Å
105L98.4Very high97Very high26 Ų2649.7 Ų49.714%0.13626%0.258CS..Hα-helixtrans-66.2-40.5178.4-68.8163.5000111.6L90 V101 E102 L103 Y107 G108 P111 L137L90-L105 HydrophobicContact CD1-CG 4.29Å; L90-L105 HydrophobicContact CD2-CD2 3.93Å; V101-L105 HydrophobicContact CG1-CD1 3.57Å; V101-L105 HydrophobicContact CG1-CG 4.44Å; V101-L105 WeakPolarHBondContact O-CB 3.2Å; V101-L105 WeakPolarHBondContact O-CD1 3.39Å; V101-L105 WeakPolarHBondContact O-CG 3.37Å; V101-L105 PolarHBondContact O-N 3.24Å; E102-L105 PolarHBondContact O-N 3.21Å; E102-L105 VanDerWaalsContact O-N 3.1Å; L103-L105 VanDerWaalsContact C-N 3.31Å; L103-L105 PolarHBondContact O-N 3.18Å; L105-Y107 VanDerWaalsContact C-N 3.28Å; L105-Y107 PolarHBondContact O-N 3.32Å; L105-G108 PolarHBondContact O-N 2.79Å; L105-P111 HydrophobicContact CD2-CB 4.02Å; L105-L137 HydrophobicContact CD1-CD2 4.29Å
106E97.8Very high97Very high150 Ų15050 Ų5070%0.70127%0.272SS*.Hα-helixtrans-59.1-38.9173-72.2-179.7173.100112.3E102 L103 G108E102-E106 WeakPolarHBondContact O-CG 3.23Å; E102-E106 PolarHBondContact O-N 3.04Å; L103-E106 PolarHBondContact O-N 2.82Å; E106-G108 PolarHBondContact O-N 3.21Å
107Y98.1Very high97.1Very high93 Ų9349.1 Ų49.137%0.36527%0.272SS..THydrogen-bonded Turntrans-80.79.5174.9-82-99.5000114L73 L103 L104 L105L73-Y107 HydrophobicContact CB-CD1 3.7Å; L73-Y107 HydrophobicContact CB-CD2 4.45Å; L73-Y107 HydrophobicContact CB-CE1 3.66Å; L73-Y107 HydrophobicContact CB-CE2 4.41Å; L73-Y107 HydrophobicContact CB-CG 4.09Å; L73-Y107 HydrophobicContact CD1-CD1 4.25Å; L73-Y107 HydrophobicContact CD1-CD2 3.77Å; L73-Y107 HydrophobicContact CD1-CE2 4.23Å; L73-Y107 HydrophobicContact CD1-CG 3.75Å; L73-Y107 HydrophobicContact CD2-CD1 4.38Å; L73-Y107 HydrophobicContact CD2-CG 4.37Å; L73-Y107 HydrophobicContact CG-CD1 4.33Å; L73-Y107 HydrophobicContact CG-CG 4.29Å; L103-Y107 VanDerWaalsContact O-CD2 3.3Å; L103-Y107 WeakPolarHBondContact O-CD2 3.3Å; L103-Y107 PolarHBondContact O-N 3.26Å; L104-Y107 CarbonylContact O-C 3.59Å; L104-Y107 PolarHBondContact O-N 3.04Å; L105-Y107 VanDerWaalsContact C-N 3.28Å; L105-Y107 PolarHBondContact O-N 3.32Å
108G97.6Very high97.3Very high44 Ų4451.9 Ų51.945%0.45428%0.282SS..THydrogen-bonded Turntrans85.227.417300000114.8N80 L104 L105 E106N80-G108 PolarHBondContact ND2-O 2.66Å; L104-G108 PolarHBondContact O-N 3.01Å; L105-G108 PolarHBondContact O-N 2.79Å; E106-G108 PolarHBondContact O-N 3.21Å
109A98.3Very high97.3Very high7 Ų749 Ų496%0.05827%0.268CS..  trans-59.7142.3167.900000111V79 N80 L90 L104 P111V79-A109 HydrophobicContact CG2-CB 3.75Å; N80-A109 WeakPolarHBondContact OD1-CA 3.37Å; L90-A109 HydrophobicContact CB-CB 4.3Å; L90-A109 HydrophobicContact CD2-CB 3.9Å; L90-A109 HydrophobicContact CG-CB 4.49Å; L104-A109 VanDerWaalsContact C-CB 3.48Å; L104-A109 HydrophobicContact CB-CB 3.87Å; L104-A109 WeakPolarHBondContact O-CB 3.16Å; L104-A109 PolarHBondContact O-N 3.01Å; A109-P111 VanDerWaalsContact O-CD 3.23Å; A109-P111 WeakPolarHBondContact O-CD 3.49Å
110Q98.3Very high97.4Very high112 Ų11247.9 Ų47.952%0.52326%0.257SS..  trans-83.1110.9179.3-68.4173.625.500110.4N80 N112 A113N80-Q110 PolarHBondContact OD1-N 2.83Å; Q110-N112 PolarHBondContact O-N 3.02Å; Q110-N112 VanDerWaalsContact O-N 3.16Å; Q110-A113 HydrophobicContact CB-CB 4.17Å; Q110-A113 WeakPolarHBondContact O-CB 3.38Å; Q110-A113 PolarHBondContact O-N 3.33Å; Q110-A113 VanDerWaalsContact O-N 3.09Å
111P97.7Very high97.4Very high24 Ų2447.9 Ų47.916%0.15626%0.257CS..THydrogen-bonded Turntrans-65.9-21.4-176.528.1-37.9000113.3L105 A109 S140 A142L105-P111 HydrophobicContact CD2-CB 4.02Å; A109-P111 VanDerWaalsContact O-CD 3.23Å; A109-P111 WeakPolarHBondContact O-CD 3.49Å; P111-S140 VanDerWaalsContact CG-O 3.3Å; P111-S140 WeakPolarHBondContact CG-O 3.22Å; P111-A142 HydrophobicContact CB-CB 4.09Å
112N98Very high97.4Very high66 Ų6647.9 Ų47.935%0.35326%0.257SS..THydrogen-bonded Turntrans-107.419.6178.9-64.4-64.9000112.7Q110 S141 C143Q110-N112 PolarHBondContact O-N 3.02Å; Q110-N112 VanDerWaalsContact O-N 3.16Å; N112-S141 PolarHBondContact ND2-O 3.41Å; N112-C143 WeakPolarHBondContact OD1-CB 3.06Å; N112-C143 PolarHBondContact OD1-N 3.15Å
113A97.9Very high97.4Very high8 Ų843.4 Ų43.47%0.06624%0.236CC..  trans-54.9143.8172.600000110.2T88 H91 Q110 T120 P121T88-A113 HydrophobicContact CG2-CB 3.89Å; H91-A113 PolarHBondContact NE2-O 3.03Å; Q110-A113 HydrophobicContact CB-CB 4.17Å; Q110-A113 WeakPolarHBondContact O-CB 3.38Å; Q110-A113 PolarHBondContact O-N 3.33Å; Q110-A113 VanDerWaalsContact O-N 3.09Å; A113-T120 WeakPolarHBondContact O-CA 3.4Å; A113-P121 WeakPolarHBondContact O-CD 3.23Å
114L97.6Very high97.4Very high96 Ų9643.6 Ų43.650%0.50324%0.235SC..  trans-110.2128.3-178.7-64.2179.8000109.3K118 T120L114-K118 HydrophobicContact CD2-CB 4.32Å; L114-K118 WeakPolarHBondContact CD2-O 3.38Å; L114-T120 HydrophobicContact CD2-CG2 3.75Å
115D96Very high97.4Very high8 Ų843.6 Ų43.64%0.04324%0.235CC..  trans-79.8-175169.886.2-6.6000113.4N86 R87 N117 K118 D119N86-D115 WeakPolarHBondContact O-CA 3.39Å; R87-D115 HydrophobicContact CB-CB 4.48Å; R87-D115 HydrophobicContact CG-CB 3.49Å; R87-D115 VanDerWaalsContact CG-CB 3.49Å; R87-D115 IonicContact CZ-OD2 3.9Å; R87-D115 IonicContact NE-OD2 3.92Å; R87-D115 PolarHBondContact NE-OD2 3.24Å; R87-D115 IonicContact NH2-OD2 3.63Å; R87-D115 PolarHBondContact NH2-OD2 2.89Å; D115-N117 PolarHBondContact O-N 3.49Å; D115-N117 WeakPolarHBondContact OD1-CA 3.35Å; D115-N117 PolarHBondContact OD1-N 3.05Å; D115-K118 PolarHBondContact O-N 2.91Å; D115-K118 PolarHBondContact OD1-N 2.87Å; D115-D119 PolarHBondContact N-O 3.03Å; D115-D119 WeakPolarHBondContact OD1-CB 3.48Å; D115-D119 PolarHBondContact OD1-N 2.86Å
116G94.1Very high97.4Very high45 Ų4542.4 Ų42.446%0.46423%0.228SC..THydrogen-bonded Turntrans-56.1-22178.900000115Y85Y85-G116 PolarHBondContact O-N 2.91Å; Y85-G116 VanDerWaalsContact O-N 3.09Å
117N93.8Very high97.3Very high88 Ų8837.9 Ų37.947%0.47121%0.207SC..THydrogen-bonded Turntrans-102.98.2176.9-59.7-39.4000112.9D115 D119 Y149D115-N117 PolarHBondContact O-N 3.49Å; D115-N117 WeakPolarHBondContact OD1-CA 3.35Å; D115-N117 PolarHBondContact OD1-N 3.05Å; N117-D119 WeakPolarHBondContact CB-OD2 3.43Å; N117-D119 PolarHBondContact O-N 2.61Å; N117-Y149 WeakPolarHBondContact O-CB 3.4Å; N117-Y149 PolarHBondContact O-N 2.97Å; N117-Y149 VanDerWaalsContact O-N 3.07Å
118K96.3Very high97.1Very high108 Ų10837.3 Ų37.347%0.4721%0.206SC..SBendtrans61.822.6-168.8-52.4-175.4173.8-173.90113.4L114 D115L114-K118 HydrophobicContact CD2-CB 4.32Å; L114-K118 WeakPolarHBondContact CD2-O 3.38Å; D115-K118 PolarHBondContact O-N 2.91Å; D115-K118 PolarHBondContact OD1-N 2.87Å
119D97.4Very high96.8Very high7 Ų737.9 Ų37.94%0.03720%0.199CC..  trans-74.7138.8171.7-53.8-32.7000107.6H91 D115 N117 H123 D148 W157H91-D119 PolarHBondContact NE2-O 2.88Å; H91-D119 VanDerWaalsContact NE2-O 3.16Å; D115-D119 PolarHBondContact N-O 3.03Å; D115-D119 WeakPolarHBondContact OD1-CB 3.48Å; D115-D119 PolarHBondContact OD1-N 2.86Å; N117-D119 WeakPolarHBondContact CB-OD2 3.43Å; N117-D119 PolarHBondContact O-N 2.61Å; D119-H123 HydrophobicContact CB-CB 4.36Å; D119-D148 WeakPolarHBondContact OD1-CB 3.37Å; D119-W157 HydrophobicContact CB-CH2 4.14Å; D119-W157 HydrophobicContact CB-CZ2 4.45Å; D119-W157 VanDerWaalsContact CG-CH2 3.45Å; D119-W157 VanDerWaalsContact OD1-CZ2 3.3Å; D119-W157 WeakPolarHBondContact OD1-CZ2 3.38Å; D119-W157 WeakPolarHBondContact OD2-CH2 3.44Å
120T98.3Very high96.6Very high2 Ų239.2 Ų39.21%0.01221%0.205CC..  trans-94.1162172.266.40000110.5A113 L114 L122 H123 W124 A146A113-T120 WeakPolarHBondContact O-CA 3.4Å; L114-T120 HydrophobicContact CD2-CG2 3.75Å; T120-L122 PolarHBondContact O-N 3.31Å; T120-L122 VanDerWaalsContact O-N 3.1Å; T120-L122 PolarHBondContact OG1-N 3.44Å; T120-H123 PolarHBondContact N-ND1 2.99Å; T120-H123 VanDerWaalsContact N-ND1 3.12Å; T120-H123 WeakPolarHBondContact O-CB 3.41Å; T120-H123 PolarHBondContact O-N 2.79Å; T120-H123 PolarHBondContact OG1-ND1 3.26Å; T120-W124 PolarHBondContact O-N 3.09Å; T120-A146 HydrophobicContact CG2-CB 3.82Å
121P98.3Very high96.5Very high0 Ų034.9 Ų34.90%019%0.186CC..Hα-helixtrans-51.1-35.1171.2-28.335.4000113.1L90 A94 A113 H123 W124 A125 L137L90-P121 HydrophobicContact CB-CG 4.22Å; L90-P121 HydrophobicContact CD2-CB 4.25Å; L90-P121 HydrophobicContact CD2-CG 3.88Å; L90-P121 HydrophobicContact CG-CB 3.92Å; L90-P121 HydrophobicContact CG-CG 3.83Å; A94-P121 HydrophobicContact CB-CB 3.97Å; A94-P121 VanDerWaalsContact CB-O 3.3Å; A94-P121 WeakPolarHBondContact CB-O 3.39Å; A113-P121 WeakPolarHBondContact O-CD 3.23Å; P121-H123 VanDerWaalsContact C-N 3.31Å; P121-H123 PolarHBondContact O-N 2.81Å; P121-W124 PolarHBondContact O-N 3.12Å; P121-W124 VanDerWaalsContact O-N 3.12Å; P121-A125 PolarHBondContact O-N 3.5Å; P121-L137 HydrophobicContact CB-CD1 4.09Å; P121-L137 HydrophobicContact CB-CD2 4.08Å
122L98.3Very high96.4Very high0 Ų038.3 Ų38.30%020%0.2CC..Hα-helixtrans-64-31.9177-171.662.1000113.3T120 A126 V134 L137 L138 A142 P154 L170T120-L122 PolarHBondContact O-N 3.31Å; T120-L122 VanDerWaalsContact O-N 3.1Å; T120-L122 PolarHBondContact OG1-N 3.44Å; L122-A126 WeakPolarHBondContact O-CB 3.43Å; L122-A126 PolarHBondContact O-N 2.7Å; L122-V134 HydrophobicContact CD1-CB 4.28Å; L122-V134 HydrophobicContact CD1-CG1 3.95Å; L122-V134 HydrophobicContact CD1-CG2 4.34Å; L122-L137 HydrophobicContact CB-CD1 4.3Å; L122-L137 HydrophobicContact CD1-CB 4.13Å; L122-L137 HydrophobicContact CD1-CD1 4.22Å; L122-L138 HydrophobicContact CD1-CD1 4.5Å; L122-L138 HydrophobicContact CD1-CD2 4.46Å; L122-L138 HydrophobicContact CD1-CG 4.13Å; L122-L138 HydrophobicContact CD2-CD2 3.69Å; L122-L138 HydrophobicContact CD2-CG 4.26Å; L122-A142 HydrophobicContact CB-CB 4.43Å; L122-A142 HydrophobicContact CD2-CB 4.1Å; L122-P154 HydrophobicContact CB-CG 4.26Å; L122-P154 HydrophobicContact CD2-CB 4.23Å; L122-P154 HydrophobicContact CD2-CG 3.91Å; L122-P154 HydrophobicContact CG-CB 3.92Å; L122-P154 HydrophobicContact CG-CG 3.89Å; L122-L170 HydrophobicContact CD1-CD2 4.32Å; L122-L170 HydrophobicContact CD2-CD2 4.17Å; L122-L170 HydrophobicContact CG-CD2 4.35Å
123H98.3Very high96.4Very high0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-64.1-43.9172.2-6983.4000110.9D119 T120 P121 A126 F127 D152 P154 W157D119-H123 HydrophobicContact CB-CB 4.36Å; T120-H123 PolarHBondContact N-ND1 2.99Å; T120-H123 VanDerWaalsContact N-ND1 3.12Å; T120-H123 WeakPolarHBondContact O-CB 3.41Å; T120-H123 PolarHBondContact O-N 2.79Å; T120-H123 PolarHBondContact OG1-ND1 3.26Å; P121-H123 VanDerWaalsContact C-N 3.31Å; P121-H123 PolarHBondContact O-N 2.81Å; H123-A126 PolarHBondContact O-N 2.69Å; H123-F127 WeakPolarHBondContact O-CB 3.27Å; H123-F127 PolarHBondContact O-N 3.1Å; H123-D152 PolarHBondContact NE2-O 3.07Å; H123-P154 WeakPolarHBondContact NE2-CD 3.36Å; H123-W157 HydrophobicContact CB-CD2 3.96Å; H123-W157 HydrophobicContact CB-CE3 3.76Å; H123-W157 HydrophobicContact CB-CH2 4.37Å; H123-W157 HydrophobicContact CB-CZ2 4.49Å; H123-W157 HydrophobicContact CB-CZ3 4Å; H123-W157 AromaticContact CD2-CD1 3.89Å; H123-W157 AromaticContact CD2-CE2 3.97Å; H123-W157 AromaticContact CD2-NE1 3.79Å; H123-W157 VanDerWaalsContact O-CE3 3.27Å
124W97.6Very high96.4Very high32 Ų3234.9 Ų34.912%0.12118%0.181CC..Hα-helixtrans-64.5-46.2179.3-70.194.5000112.4R87 H91 A94 T120 P121 A126 F127 K128 W157R87-W124 VanDerWaalsContact NH2-CH2 3.27Å; H91-W124 AromaticContact CD2-CD1 3.69Å; H91-W124 AromaticContact CD2-NE1 3.85Å; A94-W124 HydrophobicContact CB-CB 4.47Å; T120-W124 PolarHBondContact O-N 3.09Å; P121-W124 PolarHBondContact O-N 3.12Å; P121-W124 VanDerWaalsContact O-N 3.12Å; W124-A126 PolarHBondContact O-N 3Å; W124-F127 PolarHBondContact O-N 3.3Å; W124-K128 WeakPolarHBondContact O-CG 3.43Å; W124-K128 PolarHBondContact O-N 3.29Å; W124-W157 HydrophobicContact CD2-CZ3 4.48Å; W124-W157 HydrophobicContact CZ2-CH2 4.39Å; W124-W157 HydrophobicContact CZ2-CZ3 4.49Å
125A97.7Very high96.4Very high0 Ų034.4 Ų34.40%017%0.172CC..Hα-helixtrans-59.3-46.1174.500000111.8A94 P121 F127 K128 D129 N130 C133 V134 L137A94-A125 HydrophobicContact CB-CB 4.14Å; A94-A125 VanDerWaalsContact O-CA 3.26Å; A94-A125 WeakPolarHBondContact O-CA 3.49Å; A94-A125 WeakPolarHBondContact O-CB 3.46Å; P121-A125 PolarHBondContact O-N 3.5Å; A125-F127 VanDerWaalsContact C-N 3.29Å; A125-F127 PolarHBondContact O-N 2.99Å; A125-K128 PolarHBondContact O-N 2.86Å; A125-D129 PolarHBondContact O-N 3.1Å; A125-N130 PolarHBondContact O-N 3.12Å; A125-C133 HydrophobicContact CB-CB 3.9Å; A125-V134 HydrophobicContact CB-CG2 3.71Å; A125-L137 HydrophobicContact CB-CD1 4.09Å
126A97.4Very high96.5Very high0 Ų034.3 Ų34.30%017%0.173CC..Hα-helixtrans-61.9-33.9179.300000113.2L122 H123 W124 P154 A158 N163 L170L122-A126 WeakPolarHBondContact O-CB 3.43Å; L122-A126 PolarHBondContact O-N 2.7Å; H123-A126 PolarHBondContact O-N 2.69Å; W124-A126 PolarHBondContact O-N 3Å; A126-P154 HydrophobicContact CB-CB 4.06Å; A126-P154 WeakPolarHBondContact CB-O 3.49Å; A126-A158 HydrophobicContact CB-CB 4.15Å; A126-A158 WeakPolarHBondContact O-CA 3.27Å; A126-A158 WeakPolarHBondContact O-CB 3.43Å; A126-N163 PolarHBondContact O-ND2 3.37Å; A126-L170 HydrophobicContact CB-CD1 3.98Å
127F96.1Very high96.7Very high56 Ų5632.1 Ų32.125%0.24615%0.151CC..Hα-helixtrans-77.8-25.7178.7175.9-83.6000114H123 W124 A125 W157 M160 K161 N163H123-F127 WeakPolarHBondContact O-CB 3.27Å; H123-F127 PolarHBondContact O-N 3.1Å; W124-F127 PolarHBondContact O-N 3.3Å; A125-F127 VanDerWaalsContact C-N 3.29Å; A125-F127 PolarHBondContact O-N 2.99Å; F127-W157 HydrophobicContact CB-CB 4.48Å; F127-W157 HydrophobicContact CB-CE3 3.67Å; F127-W157 HydrophobicContact CB-CZ3 4.35Å; F127-W157 HydrophobicContact CD2-CE3 4.07Å; F127-W157 HydrophobicContact CG-CE3 4.16Å; F127-M160 HydrophobicContact CD2-CE 3.65Å; F127-M160 HydrophobicContact CE2-CE 3.61Å; F127-K161 HydrophobicContact CD2-CD 4.45Å; F127-K161 HydrophobicContact CD2-CG 3.8Å; F127-K161 HydrophobicContact CE2-CD 4.12Å; F127-K161 HydrophobicContact CE2-CG 3.96Å; F127-K161 HydrophobicContact CG-CG 4.31Å; F127-K161 HydrophobicContact CZ-CD 4.45Å; F127-N163 PolarHBondContact O-ND2 2.86Å
128K94.5Very high96.9Very high81 Ų8128.5 Ų28.535%0.35213%0.131SC..Hα-helixtrans-92.9-5.8-176.2-67.4-74.1177.3159.20114.6E95 W124 A125E95-K128 HydrophobicContact CB-CG 4.01Å; E95-K128 VanDerWaalsContact CD-NZ 3.35Å; E95-K128 HydrophobicContact CG-CD 3.86Å; E95-K128 HydrophobicContact CG-CG 3.76Å; E95-K128 WeakPolarHBondContact OE1-CE 3.19Å; E95-K128 IonicContact OE1-NZ 3.52Å; E95-K128 PolarHBondContact OE1-NZ 2.91Å; E95-K128 IonicContact OE2-NZ 3.02Å; W124-K128 WeakPolarHBondContact O-CG 3.43Å; W124-K128 PolarHBondContact O-N 3.29Å; A125-K128 PolarHBondContact O-N 2.86Å
129D91Very high96.9Very high56 Ų5629 Ų2930%0.29914%0.135SC..THydrogen-bonded Turntrans61.848.7-174.7-152.825.9000113.9A125 P131 N163 S166A125-D129 PolarHBondContact O-N 3.1Å; D129-P131 WeakPolarHBondContact O-CD 3.25Å; D129-N163 HydrophobicContact CB-CB 3.88Å; D129-N163 PolarHBondContact N-ND2 3.36Å; D129-N163 WeakPolarHBondContact OD1-CB 3.2Å; D129-S166 WeakPolarHBondContact CA-OG 3.47Å; D129-S166 PolarHBondContact OD1-N 3.43Å; D129-S166 PolarHBondContact OD1-OG 3.31Å
130N93.9Very high96.9Very high35 Ų3531 Ų3119%0.18715%0.149CC..  trans-105.578.5173.5-62.7-20.6000109.2A94 E95 A125 E132 C133 V134A94-N130 PolarHBondContact O-ND2 3.19Å; E95-N130 PolarHBondContact O-ND2 3.03Å; A125-N130 PolarHBondContact O-N 3.12Å; N130-E132 PolarHBondContact O-N 3.47Å; N130-C133 HydrophobicContact CB-CB 3.84Å; N130-C133 PolarHBondContact O-N 2.95Å; N130-C133 VanDerWaalsContact O-N 3.16Å; N130-V134 WeakPolarHBondContact O-CG2 3.23Å; N130-V134 PolarHBondContact O-N 3.03Å
131P95.6Very high96.7Very high20 Ų2035.4 Ų35.413%0.1318%0.181CC..Hα-helixtrans-60.2-26.3-175.622.6-31.6000113.4D129 V134 R135 E165 V169D129-P131 WeakPolarHBondContact O-CD 3.25Å; P131-V134 WeakPolarHBondContact O-CB 3.35Å; P131-V134 PolarHBondContact O-N 2.91Å; P131-R135 WeakPolarHBondContact O-CB 3.46Å; P131-R135 PolarHBondContact O-N 3.38Å; P131-E165 HydrophobicContact CB-CB 4Å; P131-E165 HydrophobicContact CG-CB 3.85Å; P131-V169 HydrophobicContact CB-CG2 4.03Å
132E96.9Very high96.7Very high97 Ų9735.7 Ų35.745%0.45318%0.183SC..Hα-helixtrans-66-52.5174.4-65.474.1-16100110.8E98 N130 V134 R135 A136E98-E132 HydrophobicContact CB-CB 4.26Å; E98-E132 HydrophobicContact CG-CB 4.25Å; E98-E132 WeakPolarHBondContact OE2-CB 3.25Å; N130-E132 PolarHBondContact O-N 3.47Å; E132-V134 VanDerWaalsContact C-N 3.29Å; E132-V134 PolarHBondContact O-N 2.96Å; E132-R135 WeakPolarHBondContact O-CB 3.45Å; E132-R135 PolarHBondContact O-N 3.4Å; E132-R135 VanDerWaalsContact O-N 3.07Å; E132-A136 PolarHBondContact O-N 2.96Å
133C97.8Very high96.6Very high2 Ų238.2 Ų38.21%0.01420%0.2CC..Hα-helixtrans-59.4-39.9172.7-70.20000112.1D97 E98 V101 A125 N130 R135 L137D97-C133 VanDerWaalsContact C-SG 3.59Å; E98-C133 VanDerWaalsContact CA-SG 3.59Å; E98-C133 PolarHBondContact N-SG 3.42Å; V101-C133 HydrophobicContact CG2-CB 4.45Å; A125-C133 HydrophobicContact CB-CB 3.9Å; N130-C133 HydrophobicContact CB-CB 3.84Å; N130-C133 PolarHBondContact O-N 2.95Å; N130-C133 VanDerWaalsContact O-N 3.16Å; C133-R135 VanDerWaalsContact C-N 3.32Å; C133-R135 PolarHBondContact O-N 3.17Å; C133-L137 WeakPolarHBondContact O-CB 3.43Å; C133-L137 WeakPolarHBondContact O-CD1 3.39Å; C133-L137 VanDerWaalsContact O-CG 3.24Å; C133-L137 WeakPolarHBondContact O-CG 3.34Å; C133-L137 PolarHBondContact O-N 3.12Å
134V98.2Very high96.5Very high0 Ų038.5 Ų38.50%020%0.202CC..Hα-helixtrans-59-46175.1170.10000110L122 A125 N130 P131 E132 L138 V169 L170L122-V134 HydrophobicContact CD1-CB 4.28Å; L122-V134 HydrophobicContact CD1-CG1 3.95Å; L122-V134 HydrophobicContact CD1-CG2 4.34Å; A125-V134 HydrophobicContact CB-CG2 3.71Å; N130-V134 WeakPolarHBondContact O-CG2 3.23Å; N130-V134 PolarHBondContact O-N 3.03Å; P131-V134 WeakPolarHBondContact O-CB 3.35Å; P131-V134 PolarHBondContact O-N 2.91Å; E132-V134 VanDerWaalsContact C-N 3.29Å; E132-V134 PolarHBondContact O-N 2.96Å; V134-L138 HydrophobicContact CG1-CD1 3.65Å; V134-L138 WeakPolarHBondContact O-CB 3.33Å; V134-L138 VanDerWaalsContact O-CD1 3.3Å; V134-L138 WeakPolarHBondContact O-CD1 3.35Å; V134-L138 WeakPolarHBondContact O-CG 3.38Å; V134-L138 PolarHBondContact O-N 3.23Å; V134-L138 VanDerWaalsContact O-N 3.09Å; V134-V169 HydrophobicContact CB-CG1 4.49Å; V134-V169 HydrophobicContact CG1-CB 4.05Å; V134-V169 HydrophobicContact CG1-CG1 3.7Å; V134-L170 HydrophobicContact CG1-CD2 4.07Å; V134-L170 HydrophobicContact CG1-CG 3.97Å
135R97.7Very high96.5Very high85 Ų8537.7 Ų37.732%0.32120%0.2SC..Hα-helixtrans-63.1-52.6178.2-177.2-178.2-56.5-75.4-5.1111.7P131 E132 C133 L137 L138 E139 V169P131-R135 WeakPolarHBondContact O-CB 3.46Å; P131-R135 PolarHBondContact O-N 3.38Å; E132-R135 WeakPolarHBondContact O-CB 3.45Å; E132-R135 PolarHBondContact O-N 3.4Å; E132-R135 VanDerWaalsContact O-N 3.07Å; C133-R135 VanDerWaalsContact C-N 3.32Å; C133-R135 PolarHBondContact O-N 3.17Å; R135-L137 VanDerWaalsContact C-N 3.29Å; R135-L137 PolarHBondContact O-N 3.19Å; R135-L138 PolarHBondContact O-N 3.41Å; R135-L138 VanDerWaalsContact O-N 3.08Å; R135-E139 WeakPolarHBondContact CD-OE1 3.18Å; R135-E139 HydrophobicContact CG-CG 4.3Å; R135-E139 WeakPolarHBondContact CG-OE1 2.92Å; R135-E139 WeakPolarHBondContact O-CG 3.28Å; R135-E139 PolarHBondContact O-N 2.87Å; R135-V169 HydrophobicContact CB-CG1 4.32Å
136A97.7Very high96.4Very high6 Ų638.4 Ų38.45%0.0521%0.206CC..Hα-helixtrans-56.5-42.6-179.500000112.3V101 E102 E132 S140V101-A136 HydrophobicContact CG1-CB 4.06Å; E102-A136 HydrophobicContact CG-CB 4.25Å; E132-A136 PolarHBondContact O-N 2.96Å; A136-S140 WeakPolarHBondContact O-CB 3.42Å; A136-S140 PolarHBondContact O-N 3.1Å; A136-S140 PolarHBondContact O-OG 3.4Å; A136-S140 VanDerWaalsContact O-OG 3.07Å
137L98.2Very high96.4Very high0 Ų044.4 Ų44.40%023%0.229CC..Hα-helixtrans-63.9-44.5175.7-73.8168.8000112.2L90 A94 V101 L105 P121 L122 A125 C133 R135 S140 S141 A142L90-L137 HydrophobicContact CD1-CD2 4.19Å; L90-L137 HydrophobicContact CD2-CD2 4.02Å; L90-L137 HydrophobicContact CG-CD2 4.24Å; A94-L137 HydrophobicContact CB-CD1 4.09Å; V101-L137 HydrophobicContact CG1-CD2 4.1Å; V101-L137 HydrophobicContact CG1-CG 4.04Å; L105-L137 HydrophobicContact CD1-CD2 4.29Å; P121-L137 HydrophobicContact CB-CD1 4.09Å; P121-L137 HydrophobicContact CB-CD2 4.08Å; L122-L137 HydrophobicContact CB-CD1 4.3Å; L122-L137 HydrophobicContact CD1-CB 4.13Å; L122-L137 HydrophobicContact CD1-CD1 4.22Å; A125-L137 HydrophobicContact CB-CD1 4.09Å; C133-L137 WeakPolarHBondContact O-CB 3.43Å; C133-L137 WeakPolarHBondContact O-CD1 3.39Å; C133-L137 VanDerWaalsContact O-CG 3.24Å; C133-L137 WeakPolarHBondContact O-CG 3.34Å; C133-L137 PolarHBondContact O-N 3.12Å; R135-L137 VanDerWaalsContact C-N 3.29Å; R135-L137 PolarHBondContact O-N 3.19Å; L137-S140 CarbonylContact O-C 3.53Å; L137-S140 PolarHBondContact O-N 3.15Å; L137-S141 PolarHBondContact O-N 3.1Å; L137-A142 HydrophobicContact CB-CB 3.93Å; L137-A142 WeakPolarHBondContact O-CB 3.2Å; L137-A142 PolarHBondContact O-N 3.09Å
138L97.8Very high96.4Very high12 Ų1242.2 Ų42.26%0.06322%0.219CC..Hα-helixtrans-68-39.7-179.3-71.5164.6000112.3L122 V134 R135 S140 S141 P144 V169 L170 Y173L122-L138 HydrophobicContact CD1-CD1 4.5Å; L122-L138 HydrophobicContact CD1-CD2 4.46Å; L122-L138 HydrophobicContact CD1-CG 4.13Å; L122-L138 HydrophobicContact CD2-CD2 3.69Å; L122-L138 HydrophobicContact CD2-CG 4.26Å; V134-L138 HydrophobicContact CG1-CD1 3.65Å; V134-L138 WeakPolarHBondContact O-CB 3.33Å; V134-L138 VanDerWaalsContact O-CD1 3.3Å; V134-L138 WeakPolarHBondContact O-CD1 3.35Å; V134-L138 WeakPolarHBondContact O-CG 3.38Å; V134-L138 PolarHBondContact O-N 3.23Å; V134-L138 VanDerWaalsContact O-N 3.09Å; R135-L138 PolarHBondContact O-N 3.41Å; R135-L138 VanDerWaalsContact O-N 3.08Å; L138-S140 PolarHBondContact O-N 3.31Å; L138-S141 PolarHBondContact O-N 3.01Å; L138-S141 VanDerWaalsContact O-N 3.08Å; L138-P144 HydrophobicContact CD2-CB 3.71Å; L138-P144 HydrophobicContact CD2-CG 4.18Å; L138-V169 HydrophobicContact CD1-CG1 4.03Å; L138-L170 HydrophobicContact CD1-CD2 4.22Å; L138-Y173 HydrophobicContact CB-CD1 3.79Å; L138-Y173 HydrophobicContact CB-CD2 4.17Å; L138-Y173 HydrophobicContact CB-CE1 3.9Å; L138-Y173 HydrophobicContact CB-CE2 4.26Å; L138-Y173 HydrophobicContact CB-CG 3.94Å; L138-Y173 HydrophobicContact CD1-CD1 4.39Å; L138-Y173 HydrophobicContact CD1-CD2 3.54Å; L138-Y173 HydrophobicContact CD1-CE2 4.17Å; L138-Y173 HydrophobicContact CD1-CG 3.66Å; L138-Y173 HydrophobicContact CD2-CG 4.38Å; L138-Y173 HydrophobicContact CG-CD1 4.49Å; L138-Y173 HydrophobicContact CG-CD2 4.42Å; L138-Y173 HydrophobicContact CG-CG 4.2Å
139E96.3Very high96.4Very high118 Ų11846.2 Ų46.255%0.55123%0.233SC*.Hα-helixtrans-62.7-32.9173.2-71176.2-175.500111.1R135 S141 Y173R135-E139 WeakPolarHBondContact CD-OE1 3.18Å; R135-E139 HydrophobicContact CG-CG 4.3Å; R135-E139 WeakPolarHBondContact CG-OE1 2.92Å; R135-E139 WeakPolarHBondContact O-CG 3.28Å; R135-E139 PolarHBondContact O-N 2.87Å; E139-S141 PolarHBondContact O-N 3.35Å; E139-Y173 WeakPolarHBondContact CG-OH 3.37Å; E139-Y173 PolarHBondContact OE1-OH 3.33Å; E139-Y173 VanDerWaalsContact OE1-OH 3.13Å
140S96.6Very high96.6Very high48 Ų4847 Ų4734%0.33624%0.238SC..THydrogen-bonded Turntrans-85.825.5173.1-59.90000114P111 A136 L137 L138 A142P111-S140 VanDerWaalsContact CG-O 3.3Å; P111-S140 WeakPolarHBondContact CG-O 3.22Å; A136-S140 WeakPolarHBondContact O-CB 3.42Å; A136-S140 PolarHBondContact O-N 3.1Å; A136-S140 PolarHBondContact O-OG 3.4Å; A136-S140 VanDerWaalsContact O-OG 3.07Å; L137-S140 CarbonylContact O-C 3.53Å; L137-S140 PolarHBondContact O-N 3.15Å; L138-S140 PolarHBondContact O-N 3.31Å; S140-A142 PolarHBondContact O-N 3.06Å
141S95.6Very high96.7Very high96 Ų9648.5 Ų48.567%0.67125%0.246SC*.THydrogen-bonded Turntrans66.326.7174.8-52.60000115.8N112 L137 L138 E139N112-S141 PolarHBondContact ND2-O 3.41Å; L137-S141 PolarHBondContact O-N 3.1Å; L138-S141 PolarHBondContact O-N 3.01Å; L138-S141 VanDerWaalsContact O-N 3.08Å; E139-S141 PolarHBondContact O-N 3.35Å
142A97.4Very high96.7Very high6 Ų647.8 Ų47.85%0.0524%0.24CC..  trans-61.6142.216300000110.5P111 L122 L137 S140 P144P111-A142 HydrophobicContact CB-CB 4.09Å; L122-A142 HydrophobicContact CB-CB 4.43Å; L122-A142 HydrophobicContact CD2-CB 4.1Å; L137-A142 HydrophobicContact CB-CB 3.93Å; L137-A142 WeakPolarHBondContact O-CB 3.2Å; L137-A142 PolarHBondContact O-N 3.09Å; S140-A142 PolarHBondContact O-N 3.06Å; A142-P144 WeakPolarHBondContact O-CD 3.3Å
143C96.9Very high96.7Very high53 Ų5343.2 Ų43.236%0.35822%0.219SC..  trans-81111.8179.3-1780000110.2N112 N145 A146N112-C143 WeakPolarHBondContact OD1-CB 3.06Å; N112-C143 PolarHBondContact OD1-N 3.15Å; C143-N145 PolarHBondContact O-N 3.49Å; C143-N145 VanDerWaalsContact O-N 3.09Å; C143-A146 HydrophobicContact CB-CB 4.22Å; C143-A146 WeakPolarHBondContact O-CB 3.36Å; C143-A146 PolarHBondContact O-N 3.33Å; C143-A146 PolarHBondContact SG-N 3.36Å
144P96.3Very high96.7Very high6 Ų643.1 Ų43.14%0.03922%0.219CC..THydrogen-bonded Turntrans-65-17.1179.923.9-32.6000113.4L138 A142 Y173 V265L138-P144 HydrophobicContact CD2-CB 3.71Å; L138-P144 HydrophobicContact CD2-CG 4.18Å; A142-P144 WeakPolarHBondContact O-CD 3.3Å; P144-Y173 WeakPolarHBondContact CG-O 3.05Å; P144-V265 HydrophobicContact CG-CG1 3.33Å
145N96.7Very high96.6Very high15 Ų1543.1 Ų43.18%0.0822%0.219CC..THydrogen-bonded Turntrans-114.421.9-177.5-62.3-55.1000112.3C143 G174 Q176 V265C143-N145 PolarHBondContact O-N 3.49Å; C143-N145 VanDerWaalsContact O-N 3.09Å; N145-G174 PolarHBondContact ND2-O 2.99Å; N145-G174 VanDerWaalsContact ND2-O 3.08Å; N145-Q176 WeakPolarHBondContact OD1-CB 3.3Å; N145-Q176 WeakPolarHBondContact OD1-CG 3.39Å; N145-Q176 PolarHBondContact OD1-N 3.47Å; N145-V265 WeakPolarHBondContact ND2-CG2 3.33Å
146A96.9Very high96.6Very high15 Ų1539.1 Ų39.112%0.12420%0.204CC..  trans-54.8148.3170.500000110.2T120 C143 T153 P154T120-A146 HydrophobicContact CG2-CB 3.82Å; C143-A146 HydrophobicContact CB-CB 4.22Å; C143-A146 WeakPolarHBondContact O-CB 3.36Å; C143-A146 PolarHBondContact O-N 3.33Å; C143-A146 PolarHBondContact SG-N 3.36Å; A146-T153 WeakPolarHBondContact O-CA 3.49Å; A146-P154 WeakPolarHBondContact O-CD 3.3Å
147R96.4Very high96.5Very high126 Ų12640.2 Ų40.248%0.47521%0.207SC..  trans-120.7125.4-178.5-73.3-172.2177.3102.35.1110D152 T153R147-D152 WeakPolarHBondContact CA-O 3.16Å; R147-T153 HydrophobicContact CG-CG2 4.38Å
148D96Very high96.4Very high9 Ų940.2 Ų40.25%0.04821%0.207CC..  trans-73.5-174.9170.473.48.7000112.1D119 N150 N151 D152 W157D119-D148 WeakPolarHBondContact OD1-CB 3.37Å; D148-N150 PolarHBondContact O-N 3.39Å; D148-N150 VanDerWaalsContact OD1-C 3.29Å; D148-N150 VanDerWaalsContact OD1-CA 3.27Å; D148-N150 WeakPolarHBondContact OD1-CA 3.38Å; D148-N150 WeakPolarHBondContact OD1-CB 3.23Å; D148-N150 PolarHBondContact OD1-N 3.23Å; D148-N151 PolarHBondContact O-N 3.32Å; D148-N151 PolarHBondContact OD1-N 3.33Å; D148-D152 PolarHBondContact N-O 3.47Å; D148-D152 PolarHBondContact OD1-N 2.81Å; D148-D152 WeakPolarHBondContact OD2-CB 3.35Å; D148-W157 PolarHBondContact OD2-NE1 3.02Å
149Y95.2Very high96.3Very high165 Ų16539.6 Ų39.665%0.64720%0.204SC*.THydrogen-bonded Turntrans-59.6-27.2177.4-162.5-91.1000114N117 N151 L182N117-Y149 WeakPolarHBondContact O-CB 3.4Å; N117-Y149 PolarHBondContact O-N 2.97Å; N117-Y149 VanDerWaalsContact O-N 3.07Å; Y149-N151 VanDerWaalsContact C-N 3.33Å; Y149-L182 WeakPolarHBondContact O-CD1 3.33Å
150N94.4Very high96.1Very high74 Ų7436.1 Ų36.140%0.39619%0.188SC..THydrogen-bonded Turntrans-90.45.9177.1-72.9-26.9000112.9D148 D152 N181 L182D148-N150 PolarHBondContact O-N 3.39Å; D148-N150 VanDerWaalsContact OD1-C 3.29Å; D148-N150 VanDerWaalsContact OD1-CA 3.27Å; D148-N150 WeakPolarHBondContact OD1-CA 3.38Å; D148-N150 WeakPolarHBondContact OD1-CB 3.23Å; D148-N150 PolarHBondContact OD1-N 3.23Å; N150-D152 PolarHBondContact O-N 3.06Å; N150-N181 CarbonylContact O-C 3.59Å; N150-N181 VanDerWaalsContact O-CA 3.25Å; N150-N181 WeakPolarHBondContact O-CA 3.32Å; N150-N181 WeakPolarHBondContact O-CB 3.4Å; N150-L182 WeakPolarHBondContact O-CG 3.36Å; N150-L182 PolarHBondContact O-N 3.39Å
151N95.3Very high95.9Very high66 Ų6638.4 Ų38.435%0.35319%0.192SC..SBendtrans5917.7-168.6-66.5-22.9000113.9D148 Y149D148-N151 PolarHBondContact O-N 3.32Å; D148-N151 PolarHBondContact OD1-N 3.33Å; Y149-N151 VanDerWaalsContact C-N 3.33Å
152D95.9Very high95.7Very high4 Ų434.1 Ų34.12%0.02116%0.163CC..  trans-72.7145.8168.1-76.6-61000109H123 R147 D148 N150 S156 N181 R190H123-D152 PolarHBondContact NE2-O 3.07Å; R147-D152 WeakPolarHBondContact CA-O 3.16Å; D148-D152 PolarHBondContact N-O 3.47Å; D148-D152 PolarHBondContact OD1-N 2.81Å; D148-D152 WeakPolarHBondContact OD2-CB 3.35Å; N150-D152 PolarHBondContact O-N 3.06Å; D152-S156 PolarHBondContact OD1-OG 3.12Å; D152-N181 VanDerWaalsContact OD1-CB 3.25Å; D152-N181 WeakPolarHBondContact OD1-CB 3.45Å; D152-N181 PolarHBondContact OD1-ND2 3.17Å; D152-N181 VanDerWaalsContact OD1-ND2 3.15Å; D152-N181 PolarHBondContact OD2-ND2 3Å; D152-R190 IonicContact OD1-CZ 3.36Å; D152-R190 IonicContact OD1-NE 3.35Å; D152-R190 IonicContact OD1-NH1 2.99Å; D152-R190 PolarHBondContact OD1-NH1 3.07Å; D152-R190 IonicContact OD2-CZ 2.93Å; D152-R190 IonicContact OD2-NH1 2.99Å; D152-R190 PolarHBondContact OD2-NH1 2.91Å
153T97.3Very high95.5Very high1 Ų134.7 Ų34.71%0.00617%0.165CC..  trans-102.8166.717661.40000110.7A146 R147 L155 S156 W157 V179A146-T153 WeakPolarHBondContact O-CA 3.49Å; R147-T153 HydrophobicContact CG-CG2 4.38Å; T153-L155 PolarHBondContact O-N 3Å; T153-S156 WeakPolarHBondContact O-CA 3.31Å; T153-S156 WeakPolarHBondContact O-CB 3.33Å; T153-S156 PolarHBondContact O-N 3.31Å; T153-S156 PolarHBondContact OG1-N 2.93Å; T153-W157 PolarHBondContact O-N 3.21Å; T153-V179 HydrophobicContact CG2-CB 3.99Å; T153-V179 HydrophobicContact CG2-CG1 3.72Å; T153-V179 HydrophobicContact CG2-CG2 4.21Å
154P97.7Very high95.4Very high0 Ų032.6 Ų32.60%015%0.15CC..Hα-helixtrans-54-38171.5-2735.2000112.4L122 H123 A126 A146 S156 W157 A158 L170L122-P154 HydrophobicContact CB-CG 4.26Å; L122-P154 HydrophobicContact CD2-CB 4.23Å; L122-P154 HydrophobicContact CD2-CG 3.91Å; L122-P154 HydrophobicContact CG-CB 3.92Å; L122-P154 HydrophobicContact CG-CG 3.89Å; H123-P154 WeakPolarHBondContact NE2-CD 3.36Å; A126-P154 HydrophobicContact CB-CB 4.06Å; A126-P154 WeakPolarHBondContact CB-O 3.49Å; A146-P154 WeakPolarHBondContact O-CD 3.3Å; P154-S156 VanDerWaalsContact C-N 3.32Å; P154-S156 PolarHBondContact O-N 3.45Å; P154-W157 PolarHBondContact O-N 3.2Å; P154-A158 PolarHBondContact O-N 3.48Å; P154-L170 HydrophobicContact CB-CD1 4.16Å; P154-L170 HydrophobicContact CB-CD2 4.02Å
155L97.4Very high95.4Very high0 Ų036 Ų360%017%0.166CC..Hα-helixtrans-63-37.6174.9-175.465.5000112.3T153 A159 V167 L170 L171 V177 P187 L211T153-L155 PolarHBondContact O-N 3Å; L155-A159 VanDerWaalsContact O-CB 3.23Å; L155-A159 WeakPolarHBondContact O-CB 3.31Å; L155-A159 PolarHBondContact O-N 3.42Å; L155-V167 HydrophobicContact CD1-CB 4.34Å; L155-V167 HydrophobicContact CD1-CG1 4.03Å; L155-V167 HydrophobicContact CD1-CG2 4.18Å; L155-L170 HydrophobicContact CB-CD1 4.34Å; L155-L170 HydrophobicContact CD1-CB 3.99Å; L155-L170 HydrophobicContact CD1-CD1 4.39Å; L155-L171 HydrophobicContact CD1-CD2 4.33Å; L155-L171 HydrophobicContact CD1-CG 4.26Å; L155-L171 HydrophobicContact CD2-CD2 4.02Å; L155-V177 HydrophobicContact CD2-CG1 3.92Å; L155-P187 HydrophobicContact CD2-CG 4.24Å; L155-P187 HydrophobicContact CG-CB 4.22Å; L155-P187 HydrophobicContact CG-CG 4.2Å; L155-L211 HydrophobicContact CD1-CD2 4.19Å
156S95.8Very high95.4Very high2 Ų235.3 Ų35.31%0.01416%0.162CC..Hα-helixtrans-64.6-38.7174.3-163.40000111.9D152 T153 P154 M160 R190D152-S156 PolarHBondContact OD1-OG 3.12Å; T153-S156 WeakPolarHBondContact O-CA 3.31Å; T153-S156 WeakPolarHBondContact O-CB 3.33Å; T153-S156 PolarHBondContact O-N 3.31Å; T153-S156 PolarHBondContact OG1-N 2.93Å; P154-S156 VanDerWaalsContact C-N 3.32Å; P154-S156 PolarHBondContact O-N 3.45Å; S156-M160 WeakPolarHBondContact O-CB 3.4Å; S156-M160 PolarHBondContact O-N 3.33Å; S156-R190 WeakPolarHBondContact OG-CD 3.38Å
157W96.8Very high95.4Very high28 Ų2834.6 Ų34.611%0.10616%0.156CC..Hα-helixtrans-68.7-45.2176.8-80.145.3000112.1D119 H123 W124 F127 D148 T153 P154 M160 K161D119-W157 HydrophobicContact CB-CH2 4.14Å; D119-W157 HydrophobicContact CB-CZ2 4.45Å; D119-W157 VanDerWaalsContact CG-CH2 3.45Å; D119-W157 VanDerWaalsContact OD1-CZ2 3.3Å; D119-W157 WeakPolarHBondContact OD1-CZ2 3.38Å; D119-W157 WeakPolarHBondContact OD2-CH2 3.44Å; H123-W157 HydrophobicContact CB-CD2 3.96Å; H123-W157 HydrophobicContact CB-CE3 3.76Å; H123-W157 HydrophobicContact CB-CH2 4.37Å; H123-W157 HydrophobicContact CB-CZ2 4.49Å; H123-W157 HydrophobicContact CB-CZ3 4Å; H123-W157 AromaticContact CD2-CD1 3.89Å; H123-W157 AromaticContact CD2-CE2 3.97Å; H123-W157 AromaticContact CD2-NE1 3.79Å; H123-W157 VanDerWaalsContact O-CE3 3.27Å; W124-W157 HydrophobicContact CD2-CZ3 4.48Å; W124-W157 HydrophobicContact CZ2-CH2 4.39Å; W124-W157 HydrophobicContact CZ2-CZ3 4.49Å; F127-W157 HydrophobicContact CB-CB 4.48Å; F127-W157 HydrophobicContact CB-CE3 3.67Å; F127-W157 HydrophobicContact CB-CZ3 4.35Å; F127-W157 HydrophobicContact CD2-CE3 4.07Å; F127-W157 HydrophobicContact CG-CE3 4.16Å; D148-W157 PolarHBondContact OD2-NE1 3.02Å; T153-W157 PolarHBondContact O-N 3.21Å; P154-W157 PolarHBondContact O-N 3.2Å; W157-M160 WeakPolarHBondContact O-CB 3.45Å; W157-M160 PolarHBondContact O-N 3.48Å; W157-K161 PolarHBondContact O-N 3.03Å
158A96.8Very high95.3Very high0 Ų031.9 Ų31.90%015%0.146CC..Hα-helixtrans-61.7-46.4174.500000111.7A126 P154 M160 K161 G162 N163 V167 L170A126-A158 HydrophobicContact CB-CB 4.15Å; A126-A158 WeakPolarHBondContact O-CA 3.27Å; A126-A158 WeakPolarHBondContact O-CB 3.43Å; P154-A158 PolarHBondContact O-N 3.48Å; A158-M160 VanDerWaalsContact C-N 3.33Å; A158-M160 PolarHBondContact O-N 3.16Å; A158-K161 CarbonylContact O-C 3.34Å; A158-K161 PolarHBondContact O-N 3.45Å; A158-G162 PolarHBondContact O-N 2.88Å; A158-N163 HydrophobicContact CB-CB 4.19Å; A158-N163 PolarHBondContact O-N 2.92Å; A158-V167 HydrophobicContact CB-CG2 3.65Å; A158-L170 HydrophobicContact CB-CD1 4.16Å
159A94.4Very high95.4Very high0 Ų031.6 Ų31.60%014%0.144CC..Hα-helixtrans-63.8-36178.200000112.7L155 K161 G162 P187 L191 L211L155-A159 VanDerWaalsContact O-CB 3.23Å; L155-A159 WeakPolarHBondContact O-CB 3.31Å; L155-A159 PolarHBondContact O-N 3.42Å; A159-K161 PolarHBondContact O-N 3.33Å; A159-G162 PolarHBondContact O-N 3.19Å; A159-P187 HydrophobicContact CB-CB 3.94Å; A159-P187 WeakPolarHBondContact CB-O 3.4Å; A159-L191 HydrophobicContact CB-CB 4.34Å; A159-L191 WeakPolarHBondContact O-CA 3.33Å; A159-L191 WeakPolarHBondContact O-CB 3.45Å; A159-L191 WeakPolarHBondContact O-CD1 3.41Å; A159-L211 HydrophobicContact CB-CD1 3.84Å
160M92Very high95.5Very high44 Ų4423.8 Ų23.822%0.21711%0.114CC..Hα-helixtrans-59.4-28.3174.2176.4-175.553.200112.9F127 S156 W157 A158 R190 L194F127-M160 HydrophobicContact CD2-CE 3.65Å; F127-M160 HydrophobicContact CE2-CE 3.61Å; S156-M160 WeakPolarHBondContact O-CB 3.4Å; S156-M160 PolarHBondContact O-N 3.33Å; W157-M160 WeakPolarHBondContact O-CB 3.45Å; W157-M160 PolarHBondContact O-N 3.48Å; A158-M160 VanDerWaalsContact C-N 3.33Å; A158-M160 PolarHBondContact O-N 3.16Å; M160-R190 HydrophobicContact CB-CB 4.28Å; M160-R190 PolarHBondContact SD-NH2 3.02Å; M160-L194 WeakPolarHBondContact O-CD2 3.36Å
161K92Very high95.6Very high96 Ų9620.4 Ų20.442%0.41710%0.095SC..Hα-helixtrans-102.3-5.8-177.5-71.4-59.4-166.1173.50114.3F127 W157 A158 A159 N163 L194F127-K161 HydrophobicContact CD2-CD 4.45Å; F127-K161 HydrophobicContact CD2-CG 3.8Å; F127-K161 HydrophobicContact CE2-CD 4.12Å; F127-K161 HydrophobicContact CE2-CG 3.96Å; F127-K161 HydrophobicContact CG-CG 4.31Å; F127-K161 HydrophobicContact CZ-CD 4.45Å; W157-K161 PolarHBondContact O-N 3.03Å; A158-K161 CarbonylContact O-C 3.34Å; A158-K161 PolarHBondContact O-N 3.45Å; A159-K161 PolarHBondContact O-N 3.33Å; K161-N163 VanDerWaalsContact CB-OD1 3.29Å; K161-N163 WeakPolarHBondContact CB-OD1 3.24Å; K161-N163 PolarHBondContact O-OD1 3.18Å; K161-L194 VanDerWaalsContact C-CD2 3.5Å
162G91.9Very high95.6Very high6 Ų618.2 Ų18.26%0.0628%0.083CC..THydrogen-bonded Turntrans73.119.4-17600000113.2A158 A159 L164A158-G162 PolarHBondContact O-N 2.88Å; A159-G162 PolarHBondContact O-N 3.19Å; G162-L164 VanDerWaalsContact C-N 3.33Å; G162-L164 PolarHBondContact O-N 3.42Å
163N94.4Very high95.6Very high18 Ų1819 Ų1910%0.0969%0.086CC..  trans-74.182.5-175-67.9-1.7000110.5A126 F127 D129 A158 K161 E165 S166 V167A126-N163 PolarHBondContact O-ND2 3.37Å; F127-N163 PolarHBondContact O-ND2 2.86Å; D129-N163 HydrophobicContact CB-CB 3.88Å; D129-N163 PolarHBondContact N-ND2 3.36Å; D129-N163 WeakPolarHBondContact OD1-CB 3.2Å; A158-N163 HydrophobicContact CB-CB 4.19Å; A158-N163 PolarHBondContact O-N 2.92Å; K161-N163 VanDerWaalsContact CB-OD1 3.29Å; K161-N163 WeakPolarHBondContact CB-OD1 3.24Å; K161-N163 PolarHBondContact O-OD1 3.18Å; N163-E165 PolarHBondContact O-N 3.42Å; N163-S166 PolarHBondContact O-N 2.97Å; N163-V167 WeakPolarHBondContact O-CG2 3.49Å; N163-V167 PolarHBondContact O-N 3.12Å
164L94.3Very high95.4Very high10 Ų1019.5 Ų19.55%0.0529%0.091CC..Hα-helixtrans-55.4-49.2-170.7172.366.3000112.7G162 V167 R168 E206 C207 L210G162-L164 VanDerWaalsContact C-N 3.33Å; G162-L164 PolarHBondContact O-N 3.42Å; L164-V167 WeakPolarHBondContact O-CB 3.26Å; L164-V167 PolarHBondContact O-N 2.9Å; L164-R168 PolarHBondContact O-N 3.36Å; L164-E206 HydrophobicContact CD1-CB 4.31Å; L164-E206 HydrophobicContact CD1-CG 4.02Å; L164-E206 HydrophobicContact CD2-CB 4.19Å; L164-E206 HydrophobicContact CD2-CG 3.99Å; L164-E206 VanDerWaalsContact CD2-OE2 3.27Å; L164-E206 WeakPolarHBondContact CD2-OE2 3.4Å; L164-C207 HydrophobicContact CB-CB 4.4Å; L164-C207 HydrophobicContact CD1-CB 4.04Å; L164-L210 HydrophobicContact CD1-CD2 3.95Å
165E95.4Very high95.3Very high77 Ų7719.9 Ų19.936%0.3610%0.095SC..Hα-helixtrans-71.8-38.7-174.3-66.4-51.8126.400111.4P131 N163 V167 R168 V169P131-E165 HydrophobicContact CB-CB 4Å; P131-E165 HydrophobicContact CG-CB 3.85Å; N163-E165 PolarHBondContact O-N 3.42Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 3.06Å; E165-R168 WeakPolarHBondContact O-CB 3.39Å; E165-R168 PolarHBondContact O-N 3.38Å; E165-R168 IonicContact OE1-CZ 3.23Å; E165-R168 IonicContact OE1-NE 3.87Å; E165-R168 PolarHBondContact OE1-NE 3.07Å; E165-R168 IonicContact OE1-NH2 3.76Å; E165-R168 PolarHBondContact OE1-NH2 2.84Å; E165-R168 IonicContact OE2-NE 3.58Å; E165-R168 PolarHBondContact OE2-NE 2.87Å; E165-V169 WeakPolarHBondContact O-CG2 3.38Å; E165-V169 PolarHBondContact O-N 3.17Å
166S96.5Very high95Very high0 Ų024 Ų240%012%0.115CC..Hα-helixtrans-60.7-41170.4-62.50000112.4D129 N163 L170D129-S166 WeakPolarHBondContact CA-OG 3.47Å; D129-S166 PolarHBondContact OD1-N 3.43Å; D129-S166 PolarHBondContact OD1-OG 3.31Å; N163-S166 PolarHBondContact O-N 2.97Å; S166-L170 WeakPolarHBondContact O-CB 3.32Å; S166-L170 WeakPolarHBondContact O-CD1 3.24Å; S166-L170 VanDerWaalsContact O-CG 3.23Å; S166-L170 WeakPolarHBondContact O-CG 3.39Å; S166-L170 PolarHBondContact O-N 3.46Å
167V97.1Very high94.9Very high0 Ų024.6 Ų24.60%012%0.118CC..Hα-helixtrans-61-45.5173.5165.40000110.8L155 A158 N163 L164 E165 L170 L171 L210 L211L155-V167 HydrophobicContact CD1-CB 4.34Å; L155-V167 HydrophobicContact CD1-CG1 4.03Å; L155-V167 HydrophobicContact CD1-CG2 4.18Å; A158-V167 HydrophobicContact CB-CG2 3.65Å; N163-V167 WeakPolarHBondContact O-CG2 3.49Å; N163-V167 PolarHBondContact O-N 3.12Å; L164-V167 WeakPolarHBondContact O-CB 3.26Å; L164-V167 PolarHBondContact O-N 2.9Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 3.06Å; V167-L170 PolarHBondContact O-N 2.84Å; V167-L171 HydrophobicContact CG1-CD1 3.79Å; V167-L171 HydrophobicContact CG1-CG 4.28Å; V167-L171 WeakPolarHBondContact O-CB 3.25Å; V167-L171 VanDerWaalsContact O-CG 3.23Å; V167-L171 WeakPolarHBondContact O-CG 3.46Å; V167-L171 PolarHBondContact O-N 2.96Å; V167-L210 HydrophobicContact CG1-CD2 4.03Å; V167-L211 HydrophobicContact CG1-CD2 3.7Å; V167-L211 HydrophobicContact CG1-CG 3.93Å
168R96.1Very high94.5Very high69 Ų6927.7 Ų27.726%0.2613%0.134SC..Hα-helixtrans-57.3-52.8178.9-169-171.9-53.8-76.6-0.2111.2L164 E165 L170 L171 E172 E206 L210L164-R168 PolarHBondContact O-N 3.36Å; E165-R168 WeakPolarHBondContact O-CB 3.39Å; E165-R168 PolarHBondContact O-N 3.38Å; E165-R168 IonicContact OE1-CZ 3.23Å; E165-R168 IonicContact OE1-NE 3.87Å; E165-R168 PolarHBondContact OE1-NE 3.07Å; E165-R168 IonicContact OE1-NH2 3.76Å; E165-R168 PolarHBondContact OE1-NH2 2.84Å; E165-R168 IonicContact OE2-NE 3.58Å; E165-R168 PolarHBondContact OE2-NE 2.87Å; R168-L170 PolarHBondContact O-N 3.14Å; R168-L171 PolarHBondContact O-N 3.16Å; R168-E172 WeakPolarHBondContact O-CG 3.4Å; R168-E172 PolarHBondContact O-N 2.69Å; R168-E206 IonicContact NH2-OE1 2.8Å; R168-E206 PolarHBondContact NH2-OE1 3Å; R168-L210 HydrophobicContact CB-CD2 4.02Å; R168-L210 HydrophobicContact CG-CD2 4.41Å
169V96.9Very high94.2Very high4 Ų428.2 Ų28.22%0.02414%0.137CC..Hα-helixtrans-61.2-47.1179.4179.50000110.7P131 V134 R135 L138 E165 L171 E172 Y173P131-V169 HydrophobicContact CB-CG2 4.03Å; V134-V169 HydrophobicContact CB-CG1 4.49Å; V134-V169 HydrophobicContact CG1-CB 4.05Å; V134-V169 HydrophobicContact CG1-CG1 3.7Å; R135-V169 HydrophobicContact CB-CG1 4.32Å; L138-V169 HydrophobicContact CD1-CG1 4.03Å; E165-V169 WeakPolarHBondContact O-CG2 3.38Å; E165-V169 PolarHBondContact O-N 3.17Å; V169-L171 VanDerWaalsContact C-N 3.27Å; V169-L171 PolarHBondContact O-N 2.97Å; V169-E172 WeakPolarHBondContact O-CB 3.38Å; V169-E172 PolarHBondContact O-N 3.11Å; V169-Y173 HydrophobicContact CG1-CD2 3.92Å; V169-Y173 HydrophobicContact CG1-CE2 3.99Å; V169-Y173 WeakPolarHBondContact O-CD2 3.4Å; V169-Y173 PolarHBondContact O-N 3Å; V169-Y173 VanDerWaalsContact O-N 3.09Å
170L97.1Very high94Very high0 Ų031.7 Ų31.70%016%0.158CC..Hα-helixtrans-59.6-37.8178.5-73.2165.5000112.5L122 A126 V134 L138 P154 L155 A158 S166 V167 R168 Y173 G174 G175L122-L170 HydrophobicContact CD1-CD2 4.32Å; L122-L170 HydrophobicContact CD2-CD2 4.17Å; L122-L170 HydrophobicContact CG-CD2 4.35Å; A126-L170 HydrophobicContact CB-CD1 3.98Å; V134-L170 HydrophobicContact CG1-CD2 4.07Å; V134-L170 HydrophobicContact CG1-CG 3.97Å; L138-L170 HydrophobicContact CD1-CD2 4.22Å; P154-L170 HydrophobicContact CB-CD1 4.16Å; P154-L170 HydrophobicContact CB-CD2 4.02Å; L155-L170 HydrophobicContact CB-CD1 4.34Å; L155-L170 HydrophobicContact CD1-CB 3.99Å; L155-L170 HydrophobicContact CD1-CD1 4.39Å; A158-L170 HydrophobicContact CB-CD1 4.16Å; S166-L170 WeakPolarHBondContact O-CB 3.32Å; S166-L170 WeakPolarHBondContact O-CD1 3.24Å; S166-L170 VanDerWaalsContact O-CG 3.23Å; S166-L170 WeakPolarHBondContact O-CG 3.39Å; S166-L170 PolarHBondContact O-N 3.46Å; V167-L170 PolarHBondContact O-N 2.84Å; R168-L170 PolarHBondContact O-N 3.14Å; L170-Y173 PolarHBondContact O-N 3.35Å; L170-G174 PolarHBondContact O-N 3.49Å; L170-G175 WeakPolarHBondContact O-CA 3.27Å; L170-G175 PolarHBondContact O-N 3.12Å
171L96.1Very high94Very high3 Ų330 Ų302%0.01615%0.15CC..Hα-helixtrans-69.2-33.8174.6-70.7174.3000112.8L155 V167 R168 V169 Y173 G174 V177 L210 L211 A214 R260 L268 L287L155-L171 HydrophobicContact CD1-CD2 4.33Å; L155-L171 HydrophobicContact CD1-CG 4.26Å; L155-L171 HydrophobicContact CD2-CD2 4.02Å; V167-L171 HydrophobicContact CG1-CD1 3.79Å; V167-L171 HydrophobicContact CG1-CG 4.28Å; V167-L171 WeakPolarHBondContact O-CB 3.25Å; V167-L171 VanDerWaalsContact O-CG 3.23Å; V167-L171 WeakPolarHBondContact O-CG 3.46Å; V167-L171 PolarHBondContact O-N 2.96Å; R168-L171 PolarHBondContact O-N 3.16Å; V169-L171 VanDerWaalsContact C-N 3.27Å; V169-L171 PolarHBondContact O-N 2.97Å; L171-Y173 PolarHBondContact O-N 2.96Å; L171-G174 PolarHBondContact O-N 2.99Å; L171-V177 HydrophobicContact CD2-CG1 3.45Å; L171-V177 VanDerWaalsContact CD2-CG1 3.45Å; L171-L210 HydrophobicContact CD1-CD1 4.37Å; L171-L210 HydrophobicContact CD1-CD2 4.16Å; L171-L210 HydrophobicContact CD1-CG 3.85Å; L171-L211 HydrophobicContact CD1-CD2 4.32Å; L171-A214 HydrophobicContact CD1-CB 3.97Å; L171-A214 HydrophobicContact CD2-CB 3.85Å; L171-R260 PolarHBondContact O-NH2 2.99Å; L171-L268 VanDerWaalsContact O-CD1 3.31Å; L171-L268 WeakPolarHBondContact O-CD1 3.27Å; L171-L287 HydrophobicContact CD1-CD1 4.13Å
172E95.4Very high93.8Very high20 Ų2030.9 Ų30.99%0.09316%0.159CC..Hα-helixtrans-65.7-27.7172.8-72-173.1152.800112.1R168 V169 F267 L268 P269 R288R168-E172 WeakPolarHBondContact O-CG 3.4Å; R168-E172 PolarHBondContact O-N 2.69Å; V169-E172 WeakPolarHBondContact O-CB 3.38Å; V169-E172 PolarHBondContact O-N 3.11Å; E172-F267 HydrophobicContact CB-CD2 4.47Å; E172-F267 HydrophobicContact CB-CE2 4.16Å; E172-L268 VanDerWaalsContact O-CB 3.28Å; E172-L268 WeakPolarHBondContact O-CB 3.36Å; E172-L268 VanDerWaalsContact O-CG 3.28Å; E172-L268 WeakPolarHBondContact O-CG 3.32Å; E172-L268 PolarHBondContact O-N 2.91Å; E172-P269 HydrophobicContact CB-CG 4.38Å; E172-P269 HydrophobicContact CG-CG 4.33Å; E172-R288 IonicContact OE1-CZ 3.01Å; E172-R288 IonicContact OE1-NE 3.85Å; E172-R288 IonicContact OE1-NH2 3.89Å; E172-R288 PolarHBondContact OE1-NH2 3.27Å
173Y96.2Very high93.5Very high20 Ų2037.6 Ų37.68%0.07819%0.186CC..THydrogen-bonded Turntrans-9614.7177.5-78.2-90.1000114.2L138 E139 P144 V169 L170 L171 R266 F267L138-Y173 HydrophobicContact CB-CD1 3.79Å; L138-Y173 HydrophobicContact CB-CD2 4.17Å; L138-Y173 HydrophobicContact CB-CE1 3.9Å; L138-Y173 HydrophobicContact CB-CE2 4.26Å; L138-Y173 HydrophobicContact CB-CG 3.94Å; L138-Y173 HydrophobicContact CD1-CD1 4.39Å; L138-Y173 HydrophobicContact CD1-CD2 3.54Å; L138-Y173 HydrophobicContact CD1-CE2 4.17Å; L138-Y173 HydrophobicContact CD1-CG 3.66Å; L138-Y173 HydrophobicContact CD2-CG 4.38Å; L138-Y173 HydrophobicContact CG-CD1 4.49Å; L138-Y173 HydrophobicContact CG-CD2 4.42Å; L138-Y173 HydrophobicContact CG-CG 4.2Å; E139-Y173 WeakPolarHBondContact CG-OH 3.37Å; E139-Y173 PolarHBondContact OE1-OH 3.33Å; E139-Y173 VanDerWaalsContact OE1-OH 3.13Å; P144-Y173 WeakPolarHBondContact CG-O 3.05Å; V169-Y173 HydrophobicContact CG1-CD2 3.92Å; V169-Y173 HydrophobicContact CG1-CE2 3.99Å; V169-Y173 WeakPolarHBondContact O-CD2 3.4Å; V169-Y173 PolarHBondContact O-N 3Å; V169-Y173 VanDerWaalsContact O-N 3.09Å; L170-Y173 PolarHBondContact O-N 3.35Å; L171-Y173 PolarHBondContact O-N 2.96Å; Y173-R266 CarbonylContact C-O 3.31Å; Y173-R266 VanDerWaalsContact C-O 3.31Å; Y173-R266 WeakPolarHBondContact CA-O 3.28Å; Y173-F267 HydrophobicContact CD1-CB 4.07Å; Y173-F267 HydrophobicContact CD1-CD2 4.02Å; Y173-F267 HydrophobicContact CD1-CG 4.49Å; Y173-F267 AromaticContact CD2-CD2 3.86Å; Y173-F267 HydrophobicContact CD2-CD2 3.86Å; Y173-F267 HydrophobicContact CD2-CE2 4.29Å; Y173-F267 HydrophobicContact CE1-CB 3.77Å; Y173-F267 AromaticContact CE1-CD2 3.63Å; Y173-F267 HydrophobicContact CE1-CD2 3.63Å; Y173-F267 AromaticContact CE1-CG 3.98Å; Y173-F267 HydrophobicContact CE1-CG 3.98Å; Y173-F267 AromaticContact CE2-CD2 3.48Å; Y173-F267 HydrophobicContact CE2-CD2 3.48Å; Y173-F267 VanDerWaalsContact CE2-CD2 3.48Å; Y173-F267 AromaticContact CE2-CE2 3.7Å; Y173-F267 HydrophobicContact CE2-CE2 3.7Å; Y173-F267 HydrophobicContact CG-CD2 4.13Å; Y173-F267 AromaticContact CZ-CD2 3.34Å; Y173-F267 AromaticContact CZ-CE2 3.84Å
174G93.5Very high93.2Very high12 Ų1238 Ų3812%0.12420%0.195CC..THydrogen-bonded Turntrans80.930.9175.300000114.5N145 L170 L171 Q176N145-G174 PolarHBondContact ND2-O 2.99Å; N145-G174 VanDerWaalsContact ND2-O 3.08Å; L170-G174 PolarHBondContact O-N 3.49Å; L171-G174 PolarHBondContact O-N 2.99Å; G174-Q176 PolarHBondContact O-N 3.5Å
175G95Very high92.8Very high8 Ų838.9 Ų38.98%0.08220%0.199CC..  trans-57.6128.8169.200000112.1L170 V177L170-G175 WeakPolarHBondContact O-CA 3.27Å; L170-G175 PolarHBondContact O-N 3.12Å; G175-V177 PolarHBondContact O-N 3.28Å
176Q92.6Very high92.5Very high88 Ų8836.5 Ų36.541%0.41119%0.189SC..  trans-83116.9-176.5-69.7174.112.600111.2N145 G174 V179N145-Q176 WeakPolarHBondContact OD1-CB 3.3Å; N145-Q176 WeakPolarHBondContact OD1-CG 3.39Å; N145-Q176 PolarHBondContact OD1-N 3.47Å; G174-Q176 PolarHBondContact O-N 3.5Å; Q176-V179 HydrophobicContact CB-CG2 3.49Å; Q176-V179 VanDerWaalsContact CB-CG2 3.49Å; Q176-V179 HydrophobicContact CG-CG2 4.43Å
177V91.8Very high92.3Very high14 Ų1436.5 Ų36.59%0.08519%0.189CC..THydrogen-bonded Turntrans-80.8-14.1-176.5-65.60000114.9L155 L171 G175 P187 L211 A214 A215L155-V177 HydrophobicContact CD2-CG1 3.92Å; L171-V177 HydrophobicContact CD2-CG1 3.45Å; L171-V177 VanDerWaalsContact CD2-CG1 3.45Å; G175-V177 PolarHBondContact O-N 3.28Å; V177-P187 WeakPolarHBondContact O-CD 3.49Å; V177-L211 HydrophobicContact CG1-CD2 4.45Å; V177-A214 HydrophobicContact CG1-CB 3.87Å; V177-A215 HydrophobicContact CB-CB 4.23Å; V177-A215 HydrophobicContact CG2-CB 3.89Å
178H89.9Confident92Very high92 Ų9236.5 Ų36.543%0.42619%0.189SC..THydrogen-bonded Turntrans-106.16.5-177.1-57.3-59.9000113.7T180 A215H178-T180 PolarHBondContact O-N 2.98Å; H178-A215 PolarHBondContact CE1-O 3.05Å
179V89.9Confident91.6Very high12 Ų1234.3 Ų34.37%0.07319%0.185CC..  trans-68.1130.9176.9-179.10000109.1T153 Q176 T186 P187T153-V179 HydrophobicContact CG2-CB 3.99Å; T153-V179 HydrophobicContact CG2-CG1 3.72Å; T153-V179 HydrophobicContact CG2-CG2 4.21Å; Q176-V179 HydrophobicContact CB-CG2 3.49Å; Q176-V179 VanDerWaalsContact CB-CG2 3.49Å; Q176-V179 HydrophobicContact CG-CG2 4.43Å; V179-T186 WeakPolarHBondContact O-CA 3.5Å; V179-P187 WeakPolarHBondContact O-CD 3.22Å
180T90.4Very high91.2Very high72 Ų7236 Ų3644%0.44219%0.19SC..  trans-104138.8175.950.30000110.9H178 Q185 T186H178-T180 PolarHBondContact O-N 2.98Å; T180-Q185 WeakPolarHBondContact CA-O 3.35Å; T180-T186 HydrophobicContact CG2-CG2 3.8Å
181N90.8Very high90.8Very high10 Ų1036 Ų365%0.05319%0.19CC..  trans-78.2179.7170.277.12.1000111.2N150 D152 K183 G184 Q185 R190N150-N181 CarbonylContact O-C 3.59Å; N150-N181 VanDerWaalsContact O-CA 3.25Å; N150-N181 WeakPolarHBondContact O-CA 3.32Å; N150-N181 WeakPolarHBondContact O-CB 3.4Å; D152-N181 VanDerWaalsContact OD1-CB 3.25Å; D152-N181 WeakPolarHBondContact OD1-CB 3.45Å; D152-N181 PolarHBondContact OD1-ND2 3.17Å; D152-N181 VanDerWaalsContact OD1-ND2 3.15Å; D152-N181 PolarHBondContact OD2-ND2 3Å; N181-K183 PolarHBondContact O-N 3.01Å; N181-K183 WeakPolarHBondContact OD1-CA 3.46Å; N181-K183 WeakPolarHBondContact OD1-CB 3.32Å; N181-K183 PolarHBondContact OD1-N 3.43Å; N181-G184 PolarHBondContact O-N 3.09Å; N181-G184 PolarHBondContact OD1-N 3.25Å; N181-Q185 PolarHBondContact N-O 3.49Å; N181-Q185 PolarHBondContact ND2-OE1 3.07Å; N181-Q185 WeakPolarHBondContact OD1-CB 3.3Å; N181-Q185 PolarHBondContact OD1-N 3.45Å; N181-R190 PolarHBondContact ND2-NH1 3.26Å
182L89.7Confident90.4Very high113 Ų11336.1 Ų36.159%0.59219%0.192SC*.THydrogen-bonded Turntrans-60.4-17.2178.9-66.9-179000114.4Y149 N150Y149-L182 WeakPolarHBondContact O-CD1 3.33Å; N150-L182 WeakPolarHBondContact O-CG 3.36Å; N150-L182 PolarHBondContact O-N 3.39Å
183K85.6Confident89.8Confident148 Ų14835.5 Ų35.564%0.64319%0.19SC*.THydrogen-bonded Turntrans-93.85.5175.3-61175.2-176.9170.20112.7N181 Q185N181-K183 PolarHBondContact O-N 3.01Å; N181-K183 WeakPolarHBondContact OD1-CA 3.46Å; N181-K183 WeakPolarHBondContact OD1-CB 3.32Å; N181-K183 PolarHBondContact OD1-N 3.43Å; K183-Q185 VanDerWaalsContact C-N 3.29Å; K183-Q185 HydrophobicContact CB-CG 4.03Å; K183-Q185 PolarHBondContact O-N 2.92Å
184G86.2Confident89.3Confident27 Ų2735.3 Ų35.328%0.27819%0.19SC..SBendtrans72.520-176.400000113.8N181N181-G184 PolarHBondContact O-N 3.09Å; N181-G184 PolarHBondContact OD1-N 3.25Å
185Q86.2Confident88.9Confident28 Ų2835.3 Ų35.313%0.13119%0.187CC..  trans-93.3127.8-177.7-59.3-179.5-6900110.6T180 N181 K183 S189 R190T180-Q185 WeakPolarHBondContact CA-O 3.35Å; N181-Q185 PolarHBondContact N-O 3.49Å; N181-Q185 PolarHBondContact ND2-OE1 3.07Å; N181-Q185 WeakPolarHBondContact OD1-CB 3.3Å; N181-Q185 PolarHBondContact OD1-N 3.45Å; K183-Q185 VanDerWaalsContact C-N 3.29Å; K183-Q185 HydrophobicContact CB-CG 4.03Å; K183-Q185 PolarHBondContact O-N 2.92Å; Q185-S189 WeakPolarHBondContact CA-OG 3.45Å; Q185-S189 VanDerWaalsContact CB-OG 3.22Å; Q185-S189 WeakPolarHBondContact CB-OG 3.47Å; Q185-R190 HydrophobicContact CB-CG 4.17Å
186T90.6Very high88.3Confident26 Ų2635.6 Ų35.616%0.1619%0.189CC..  trans-82.6163.4167.162.80000111.3V179 T180 I188 S189 R190V179-T186 WeakPolarHBondContact O-CA 3.5Å; T180-T186 HydrophobicContact CG2-CG2 3.8Å; T186-I188 VanDerWaalsContact C-N 3.28Å; T186-I188 PolarHBondContact O-N 3.3Å; T186-S189 PolarHBondContact N-OG 2.95Å; T186-S189 PolarHBondContact O-N 2.99Å; T186-S189 PolarHBondContact O-OG 3.22Å; T186-S189 PolarHBondContact OG1-N 3.16Å; T186-R190 PolarHBondContact O-N 3.48Å; T186-R190 VanDerWaalsContact O-N 3.1Å
187P91.8Very high87.7Confident0 Ų038.4 Ų38.40%020%0.196CC..Hα-helixtrans-48.5-46.4171.9-29.934.6000113.4L155 A159 V177 V179 S189 R190 L191L155-P187 HydrophobicContact CD2-CG 4.24Å; L155-P187 HydrophobicContact CG-CB 4.22Å; L155-P187 HydrophobicContact CG-CG 4.2Å; A159-P187 HydrophobicContact CB-CB 3.94Å; A159-P187 WeakPolarHBondContact CB-O 3.4Å; V177-P187 WeakPolarHBondContact O-CD 3.49Å; V179-P187 WeakPolarHBondContact O-CD 3.22Å; P187-S189 PolarHBondContact O-N 3.35Å; P187-R190 WeakPolarHBondContact O-CB 3.47Å; P187-R190 PolarHBondContact O-N 3.23Å; P187-R190 VanDerWaalsContact O-N 3.15Å; P187-L191 PolarHBondContact O-N 3.15Å; P187-L191 VanDerWaalsContact O-N 3.12Å
188I90.5Very high86.5Confident1 Ų140.9 Ų40.91%0.00522%0.224CC..Hα-helixtrans-59.1-45.8176.1-68.6170.2000111.2T186 R190 L191 V192 L208 L211 A215 F218T186-I188 VanDerWaalsContact C-N 3.28Å; T186-I188 PolarHBondContact O-N 3.3Å; I188-R190 PolarHBondContact O-N 3.23Å; I188-L191 PolarHBondContact O-N 3.26Å; I188-V192 HydrophobicContact CG2-CG2 4.12Å; I188-V192 VanDerWaalsContact O-CG2 3.31Å; I188-V192 WeakPolarHBondContact O-CG2 3.29Å; I188-V192 PolarHBondContact O-N 3.15Å; I188-L208 HydrophobicContact CG2-CD1 4.09Å; I188-L211 HydrophobicContact CD1-CB 4.05Å; I188-L211 HydrophobicContact CG1-CB 3.54Å; I188-L211 HydrophobicContact CG1-CD1 4.16Å; I188-L211 HydrophobicContact CG1-CG 4.38Å; I188-A215 HydrophobicContact CD1-CB 3.57Å; I188-F218 HydrophobicContact CD1-CB 3.81Å; I188-F218 HydrophobicContact CD1-CG 4.23Å; I188-F218 HydrophobicContact CG2-CB 4.19Å; I188-F218 HydrophobicContact CG2-CD2 3.54Å; I188-F218 HydrophobicContact CG2-CE2 3.98Å; I188-F218 HydrophobicContact CG2-CG 3.85Å
189S87.1Confident85.2Confident23 Ų2341.9 Ų41.916%0.16123%0.231CC..Hα-helixtrans-64-27.3-179.175.80000113Q185 T186 P187 A193Q185-S189 WeakPolarHBondContact CA-OG 3.45Å; Q185-S189 VanDerWaalsContact CB-OG 3.22Å; Q185-S189 WeakPolarHBondContact CB-OG 3.47Å; T186-S189 PolarHBondContact N-OG 2.95Å; T186-S189 PolarHBondContact O-N 2.99Å; T186-S189 PolarHBondContact O-OG 3.22Å; T186-S189 PolarHBondContact OG1-N 3.16Å; P187-S189 PolarHBondContact O-N 3.35Å; S189-A193 WeakPolarHBondContact O-CB 3.48Å; S189-A193 PolarHBondContact O-N 3.16Å; S189-A193 VanDerWaalsContact O-N 3.1Å
190R88.1Confident83.8Confident38 Ų3843.8 Ų43.814%0.14325%0.253CS..Hα-helixtrans-74.3-41.8174.6-64.9-168.775.9113.5-3.6112.2D152 S156 M160 N181 Q185 T186 P187 I188 V192 A193 L194D152-R190 IonicContact OD1-CZ 3.36Å; D152-R190 IonicContact OD1-NE 3.35Å; D152-R190 IonicContact OD1-NH1 2.99Å; D152-R190 PolarHBondContact OD1-NH1 3.07Å; D152-R190 IonicContact OD2-CZ 2.93Å; D152-R190 IonicContact OD2-NH1 2.99Å; D152-R190 PolarHBondContact OD2-NH1 2.91Å; S156-R190 WeakPolarHBondContact OG-CD 3.38Å; M160-R190 HydrophobicContact CB-CB 4.28Å; M160-R190 PolarHBondContact SD-NH2 3.02Å; N181-R190 PolarHBondContact ND2-NH1 3.26Å; Q185-R190 HydrophobicContact CB-CG 4.17Å; T186-R190 PolarHBondContact O-N 3.48Å; T186-R190 VanDerWaalsContact O-N 3.1Å; P187-R190 WeakPolarHBondContact O-CB 3.47Å; P187-R190 PolarHBondContact O-N 3.23Å; P187-R190 VanDerWaalsContact O-N 3.15Å; I188-R190 PolarHBondContact O-N 3.23Å; R190-V192 VanDerWaalsContact C-N 3.35Å; R190-A193 WeakPolarHBondContact O-CB 3.49Å; R190-A193 PolarHBondContact O-N 3.13Å; R190-L194 PolarHBondContact O-N 3.5Å; R190-L194 VanDerWaalsContact O-N 3.09Å
191L89.8Confident82.8Confident0 Ų042.7 Ų42.70%025%0.252CS..Hα-helixtrans-62.3-43.9172.8178.462.8000111.2A159 P187 I188 A193 L194 L195 E204 C207 L208 L211A159-L191 HydrophobicContact CB-CB 4.34Å; A159-L191 WeakPolarHBondContact O-CA 3.33Å; A159-L191 WeakPolarHBondContact O-CB 3.45Å; A159-L191 WeakPolarHBondContact O-CD1 3.41Å; P187-L191 PolarHBondContact O-N 3.15Å; P187-L191 VanDerWaalsContact O-N 3.12Å; I188-L191 PolarHBondContact O-N 3.26Å; L191-A193 PolarHBondContact O-N 3.47Å; L191-L194 HydrophobicContact CD1-CD2 4.17Å; L191-L194 WeakPolarHBondContact O-CA 3.28Å; L191-L194 VanDerWaalsContact O-CB 3.24Å; L191-L194 WeakPolarHBondContact O-CB 3.15Å; L191-L194 PolarHBondContact O-N 2.85Å; L191-L195 HydrophobicContact CG-CD1 4.35Å; L191-L195 PolarHBondContact O-N 3.5Å; L191-E204 HydrophobicContact CD1-CB 4.37Å; L191-C207 HydrophobicContact CD2-CB 3.99Å; L191-L208 VanDerWaalsContact CD2-CA 3.44Å; L191-L208 HydrophobicContact CD2-CB 3.76Å; L191-L208 HydrophobicContact CD2-CD1 4.33Å; L191-L208 VanDerWaalsContact CD2-N 3.32Å; L191-L211 HydrophobicContact CD2-CD1 3.87Å
192V86.8Confident82.2Confident7 Ų750.8 Ų50.84%0.04229%0.289CS..Hα-helixtrans-60.4-37.3175.8169.90000111.6I188 R190 L194 L195 A196 L208 L231 L241I188-V192 HydrophobicContact CG2-CG2 4.12Å; I188-V192 VanDerWaalsContact O-CG2 3.31Å; I188-V192 WeakPolarHBondContact O-CG2 3.29Å; I188-V192 PolarHBondContact O-N 3.15Å; R190-V192 VanDerWaalsContact C-N 3.35Å; V192-L194 VanDerWaalsContact C-N 3.28Å; V192-L194 PolarHBondContact O-N 3.19Å; V192-L195 PolarHBondContact O-N 3.22Å; V192-A196 WeakPolarHBondContact O-CB 3.36Å; V192-A196 PolarHBondContact O-N 3.27Å; V192-L208 HydrophobicContact CG2-CD1 4Å; V192-L231 HydrophobicContact CG1-CD1 3.57Å; V192-L231 HydrophobicContact CG1-CD2 3.75Å; V192-L231 HydrophobicContact CG1-CG 3.87Å; V192-L241 HydrophobicContact CB-CD1 4.47Å; V192-L241 HydrophobicContact CG1-CD1 3.5Å; V192-L241 HydrophobicContact CG2-CD1 4.08Å; V192-L241 HydrophobicContact CG2-CD2 3.97Å
193A84.3Confident81.9Confident7 Ų751.4 Ų51.46%0.05829%0.289CS..Hα-helixtrans-68.7-24.7173.400000113.2S189 R190 L191 R197S189-A193 WeakPolarHBondContact O-CB 3.48Å; S189-A193 PolarHBondContact O-N 3.16Å; S189-A193 VanDerWaalsContact O-N 3.1Å; R190-A193 WeakPolarHBondContact O-CB 3.49Å; R190-A193 PolarHBondContact O-N 3.13Å; L191-A193 PolarHBondContact O-N 3.47Å; A193-R197 WeakPolarHBondContact O-CG 3.49Å; A193-R197 PolarHBondContact O-NH1 2.91Å
194L85.8Confident81.9Confident16 Ų1645.2 Ų45.28%0.08426%0.263CS..Hα-helixtrans-72.1-53170.9179.570.6000110.5M160 K161 R190 L191 V192 A196 R197 L199 E204M160-L194 WeakPolarHBondContact O-CD2 3.36Å; K161-L194 VanDerWaalsContact C-CD2 3.5Å; R190-L194 PolarHBondContact O-N 3.5Å; R190-L194 VanDerWaalsContact O-N 3.09Å; L191-L194 HydrophobicContact CD1-CD2 4.17Å; L191-L194 WeakPolarHBondContact O-CA 3.28Å; L191-L194 VanDerWaalsContact O-CB 3.24Å; L191-L194 WeakPolarHBondContact O-CB 3.15Å; L191-L194 PolarHBondContact O-N 2.85Å; V192-L194 VanDerWaalsContact C-N 3.28Å; V192-L194 PolarHBondContact O-N 3.19Å; L194-A196 VanDerWaalsContact C-N 3.27Å; L194-A196 PolarHBondContact O-N 3.41Å; L194-R197 WeakPolarHBondContact O-CB 3.22Å; L194-R197 PolarHBondContact O-N 3.28Å; L194-L199 HydrophobicContact CD1-CB 4.42Å; L194-L199 HydrophobicContact CD1-CD1 3.82Å; L194-E204 HydrophobicContact CD2-CG 4.17Å; L194-E204 WeakPolarHBondContact CD2-OE1 3.44Å
195L84.6Confident81.9Confident12 Ų1248 Ų486%0.06327%0.269CS..Iπ-helixtrans-53.3-44.6177.2-74.4166.8000111.7L191 V192 R197 G198 E204 L208 L237L191-L195 HydrophobicContact CG-CD1 4.35Å; L191-L195 PolarHBondContact O-N 3.5Å; V192-L195 PolarHBondContact O-N 3.22Å; L195-R197 PolarHBondContact O-N 2.94Å; L195-R197 VanDerWaalsContact O-N 3.1Å; L195-G198 PolarHBondContact O-N 3.31Å; L195-E204 HydrophobicContact CD2-CB 3.56Å; L195-E204 WeakPolarHBondContact CD2-OE2 3.45Å; L195-E204 HydrophobicContact CG-CB 4.28Å; L195-L208 HydrophobicContact CD1-CB 4.29Å; L195-L208 HydrophobicContact CD1-CD2 3.86Å; L195-L237 HydrophobicContact CB-CD1 4.32Å; L195-L237 HydrophobicContact CB-CD2 3.71Å; L195-L237 HydrophobicContact CD1-CD1 4.36Å
196A81.1Confident82.1Confident14 Ų1451 Ų5112%0.11628%0.282CS..Iπ-helixtrans-66.1-12179.100000114.5V192 L194 G198 E230 L231 L237V192-A196 WeakPolarHBondContact O-CB 3.36Å; V192-A196 PolarHBondContact O-N 3.27Å; L194-A196 VanDerWaalsContact C-N 3.27Å; L194-A196 PolarHBondContact O-N 3.41Å; A196-G198 VanDerWaalsContact C-N 3.26Å; A196-E230 HydrophobicContact CB-CB 3.69Å; A196-L231 HydrophobicContact CB-CD2 4.43Å; A196-L231 HydrophobicContact CB-CG 4.33Å; A196-L237 HydrophobicContact CB-CD2 3.95Å
197R80.8Confident82.1Confident147 Ų14749.8 Ų49.856%0.55528%0.275SS*.Iπ-helixtrans-850.7171.9-68.2173.7-177.9110.71.6112.7A193 L194 L195A193-R197 WeakPolarHBondContact O-CG 3.49Å; A193-R197 PolarHBondContact O-NH1 2.91Å; L194-R197 WeakPolarHBondContact O-CB 3.22Å; L194-R197 PolarHBondContact O-N 3.28Å; L195-R197 PolarHBondContact O-N 2.94Å; L195-R197 VanDerWaalsContact O-N 3.1Å
198G67.7Low82Confident65 Ų6549.9 Ų49.967%0.6728%0.276SS*.Iπ-helixtrans76.223.1178.400000113.6L195 A196 G200L195-G198 PolarHBondContact O-N 3.31Å; A196-G198 VanDerWaalsContact C-N 3.26Å; G198-G200 VanDerWaalsContact C-N 3.31Å
199L62.3Low82Confident113 Ų11354.7 Ų54.759%0.59230%0.298SS*.Iπ-helixtrans-91.55.1174.2-68171.2000112.8L194 A201L194-L199 HydrophobicContact CD1-CB 4.42Å; L194-L199 HydrophobicContact CD1-CD1 3.82Å; L199-A201 PolarHBondContact O-N 3.26Å
200G58.9Low82.3Confident52 Ų5254.1 Ų54.154%0.53629%0.293SS..  trans-54.590.8-174.200000114.5G198 E204G198-G200 VanDerWaalsContact C-N 3.31Å; G200-E204 VanDerWaalsContact CA-OE2 3.27Å; G200-E204 WeakPolarHBondContact CA-OE2 3.27Å; G200-E204 PolarHBondContact N-OE2 3.06Å
201A70.9Confident82.5Confident49 Ų4952.3 Ų52.341%0.40529%0.286SS..  trans-80.2161.116100000109.9L199 Q203 E204L199-A201 PolarHBondContact O-N 3.26Å; A201-Q203 PolarHBondContact O-N 2.96Å; A201-Q203 VanDerWaalsContact O-N 3.12Å; A201-E204 PolarHBondContact O-N 3.1Å
202E78.4Confident82.5Confident181 Ų18154.5 Ų54.585%0.84630%0.295SS*.Hα-helixtrans-52.2-34.8174.7-65.5179.1167.600112.1E204 E205 E206E202-E204 PolarHBondContact O-N 2.92Å; E202-E205 PolarHBondContact O-N 3.41Å; E202-E206 PolarHBondContact O-N 2.88Å; E202-E206 VanDerWaalsContact O-N 3.09Å
203Q81.8Confident82.6Confident125 Ų12557 Ų5758%0.58431%0.305SS*.Hα-helixtrans-63.9-34.8177.3-67.7178-23.200113.6A201 E205 E206 C207A201-Q203 PolarHBondContact O-N 2.96Å; A201-Q203 VanDerWaalsContact O-N 3.12Å; Q203-E205 VanDerWaalsContact C-N 3.35Å; Q203-E206 PolarHBondContact O-N 3.21Å; Q203-C207 VanDerWaalsContact O-CB 3.27Å; Q203-C207 WeakPolarHBondContact O-CB 3.36Å; Q203-C207 PolarHBondContact O-N 3.24Å
204E86Confident82.8Confident19 Ų1957 Ų579%0.08931%0.305CS..Hα-helixtrans-71.7-33.8179.4-61.5-174.7176.200111.1L191 L194 L195 G200 A201 E202 C207 L208L191-E204 HydrophobicContact CD1-CB 4.37Å; L194-E204 HydrophobicContact CD2-CG 4.17Å; L194-E204 WeakPolarHBondContact CD2-OE1 3.44Å; L195-E204 HydrophobicContact CD2-CB 3.56Å; L195-E204 WeakPolarHBondContact CD2-OE2 3.45Å; L195-E204 HydrophobicContact CG-CB 4.28Å; G200-E204 VanDerWaalsContact CA-OE2 3.27Å; G200-E204 WeakPolarHBondContact CA-OE2 3.27Å; G200-E204 PolarHBondContact N-OE2 3.06Å; A201-E204 PolarHBondContact O-N 3.1Å; E202-E204 PolarHBondContact O-N 2.92Å; E204-C207 PolarHBondContact O-N 2.85Å; E204-L208 PolarHBondContact O-N 2.82Å
205E85.6Confident82.8Confident86 Ų8656.4 Ų56.440%0.40230%0.303SS..Hα-helixtrans-68.2-44.9173.4-61.7-151.3144.400111.5E202 Q203 C207 L208 E209 K240E202-E205 PolarHBondContact O-N 3.41Å; Q203-E205 VanDerWaalsContact C-N 3.35Å; E205-C207 VanDerWaalsContact C-N 3.27Å; E205-C207 PolarHBondContact O-N 2.94Å; E205-L208 WeakPolarHBondContact O-CB 3.38Å; E205-L208 PolarHBondContact O-N 3.09Å; E205-L208 VanDerWaalsContact O-N 3.1Å; E205-E209 PolarHBondContact O-N 3.19Å; E205-K240 IonicContact OE1-NZ 3.79Å; E205-K240 PolarHBondContact OE1-NZ 3.3Å; E205-K240 IonicContact OE2-NZ 3.77Å; E205-K240 PolarHBondContact OE2-NZ 3.43Å
206E90.4Very high82.5Confident90 Ų9056.1 Ų56.142%0.42130%0.303SS..Hα-helixtrans-60.2-40.5174.6-169.1-17616200111.1L164 R168 E202 Q203 L208 E209 L210L164-E206 HydrophobicContact CD1-CB 4.31Å; L164-E206 HydrophobicContact CD1-CG 4.02Å; L164-E206 HydrophobicContact CD2-CB 4.19Å; L164-E206 HydrophobicContact CD2-CG 3.99Å; L164-E206 VanDerWaalsContact CD2-OE2 3.27Å; L164-E206 WeakPolarHBondContact CD2-OE2 3.4Å; R168-E206 IonicContact NH2-OE1 2.8Å; R168-E206 PolarHBondContact NH2-OE1 3Å; E202-E206 PolarHBondContact O-N 2.88Å; E202-E206 VanDerWaalsContact O-N 3.09Å; Q203-E206 PolarHBondContact O-N 3.21Å; E206-L208 VanDerWaalsContact C-N 3.3Å; E206-L208 PolarHBondContact O-N 3.23Å; E206-E209 PolarHBondContact O-N 3.47Å; E206-L210 WeakPolarHBondContact O-CB 3.28Å; E206-L210 PolarHBondContact O-N 3.09Å
207C91.9Very high82.2Confident0 Ų063.3 Ų63.30%033%0.327CS..Hα-helixtrans-63-37.7175.9-1710000111.8L164 L191 Q203 E204 E205 L210 L211L164-C207 HydrophobicContact CB-CB 4.4Å; L164-C207 HydrophobicContact CD1-CB 4.04Å; L191-C207 HydrophobicContact CD2-CB 3.99Å; Q203-C207 VanDerWaalsContact O-CB 3.27Å; Q203-C207 WeakPolarHBondContact O-CB 3.36Å; Q203-C207 PolarHBondContact O-N 3.24Å; E204-C207 PolarHBondContact O-N 2.85Å; E205-C207 VanDerWaalsContact C-N 3.27Å; E205-C207 PolarHBondContact O-N 2.94Å; C207-L210 PolarHBondContact O-N 3.41Å; C207-L211 WeakPolarHBondContact O-CB 3.49Å; C207-L211 WeakPolarHBondContact O-CG 3.38Å; C207-L211 PolarHBondContact O-N 3.34Å
208L90.3Very high82Confident3 Ų357 Ų572%0.01630%0.303CS..Hα-helixtrans-65.8-45.2175.8176.865.9000111I188 L191 V192 L195 E204 E205 E206 L211 Y212 L241 M244I188-L208 HydrophobicContact CG2-CD1 4.09Å; L191-L208 VanDerWaalsContact CD2-CA 3.44Å; L191-L208 HydrophobicContact CD2-CB 3.76Å; L191-L208 HydrophobicContact CD2-CD1 4.33Å; L191-L208 VanDerWaalsContact CD2-N 3.32Å; V192-L208 HydrophobicContact CG2-CD1 4Å; L195-L208 HydrophobicContact CD1-CB 4.29Å; L195-L208 HydrophobicContact CD1-CD2 3.86Å; E204-L208 PolarHBondContact O-N 2.82Å; E205-L208 WeakPolarHBondContact O-CB 3.38Å; E205-L208 PolarHBondContact O-N 3.09Å; E205-L208 VanDerWaalsContact O-N 3.1Å; E206-L208 VanDerWaalsContact C-N 3.3Å; E206-L208 PolarHBondContact O-N 3.23Å; L208-L211 PolarHBondContact O-N 2.94Å; L208-Y212 WeakPolarHBondContact O-CB 3.22Å; L208-Y212 PolarHBondContact O-N 3.45Å; L208-L241 HydrophobicContact CD1-CD2 4.38Å; L208-L241 HydrophobicContact CD2-CD2 3.88Å; L208-M244 HydrophobicContact CD2-SD 4.48Å
209E89.8Confident82.3Confident101 Ų10159.8 Ų59.847%0.47230%0.299SS..Hα-helixtrans-61.9-43.5176.6-70.8-175.6-178.900111.7E205 E206 Y212 K213E205-E209 PolarHBondContact O-N 3.19Å; E206-E209 PolarHBondContact O-N 3.47Å; E209-Y212 PolarHBondContact O-N 2.87Å; E209-K213 WeakPolarHBondContact O-CB 3.29Å; E209-K213 WeakPolarHBondContact O-CG 3.12Å; E209-K213 PolarHBondContact O-N 3.43Å
210L93.1Very high82.7Confident12 Ų1255.6 Ų55.66%0.06328%0.277CS..Hα-helixtrans-62.1-48.4178.2-178.961.9000111.8L164 V167 R168 L171 E206 C207 Y212 K213 A214 L287L164-L210 HydrophobicContact CD1-CD2 3.95Å; V167-L210 HydrophobicContact CG1-CD2 4.03Å; R168-L210 HydrophobicContact CB-CD2 4.02Å; R168-L210 HydrophobicContact CG-CD2 4.41Å; L171-L210 HydrophobicContact CD1-CD1 4.37Å; L171-L210 HydrophobicContact CD1-CD2 4.16Å; L171-L210 HydrophobicContact CD1-CG 3.85Å; E206-L210 WeakPolarHBondContact O-CB 3.28Å; E206-L210 PolarHBondContact O-N 3.09Å; C207-L210 PolarHBondContact O-N 3.41Å; L210-Y212 VanDerWaalsContact C-N 3.35Å; L210-K213 PolarHBondContact O-N 3.16Å; L210-A214 WeakPolarHBondContact O-CB 3.43Å; L210-A214 PolarHBondContact O-N 2.88Å; L210-L287 HydrophobicContact CD1-CB 3.93Å; L210-L287 HydrophobicContact CD1-CD1 3.96Å
211L92.1Very high83.3Confident0 Ų060 Ų600%028%0.277CS..Hα-helixtrans-65.7-38.9176.8-72.3171.6000111.7L155 A159 V167 L171 V177 I188 L191 C207 L208 A214 A215L155-L211 HydrophobicContact CD1-CD2 4.19Å; A159-L211 HydrophobicContact CB-CD1 3.84Å; V167-L211 HydrophobicContact CG1-CD2 3.7Å; V167-L211 HydrophobicContact CG1-CG 3.93Å; L171-L211 HydrophobicContact CD1-CD2 4.32Å; V177-L211 HydrophobicContact CG1-CD2 4.45Å; I188-L211 HydrophobicContact CD1-CB 4.05Å; I188-L211 HydrophobicContact CG1-CB 3.54Å; I188-L211 HydrophobicContact CG1-CD1 4.16Å; I188-L211 HydrophobicContact CG1-CG 4.38Å; L191-L211 HydrophobicContact CD2-CD1 3.87Å; C207-L211 WeakPolarHBondContact O-CB 3.49Å; C207-L211 WeakPolarHBondContact O-CG 3.38Å; C207-L211 PolarHBondContact O-N 3.34Å; L208-L211 PolarHBondContact O-N 2.94Å; L211-A214 PolarHBondContact O-N 3.15Å; L211-A215 WeakPolarHBondContact O-CB 3.41Å; L211-A215 PolarHBondContact O-N 3.32Å
212Y89.6Confident83.2Confident45 Ų4561.4 Ų61.418%0.17627%0.272CS..Hα-helixtrans-59.6-46.9174.3175.4-114.4000111.1L208 E209 L210 A214 A215 G216 F218 M244L208-Y212 WeakPolarHBondContact O-CB 3.22Å; L208-Y212 PolarHBondContact O-N 3.45Å; E209-Y212 PolarHBondContact O-N 2.87Å; L210-Y212 VanDerWaalsContact C-N 3.35Å; Y212-A214 VanDerWaalsContact C-N 3.31Å; Y212-A214 PolarHBondContact O-N 2.81Å; Y212-A215 PolarHBondContact O-N 2.97Å; Y212-G216 PolarHBondContact O-N 3.34Å; Y212-F218 AromaticContact CD2-CD1 3.56Å; Y212-F218 HydrophobicContact CD2-CD1 3.56Å; Y212-F218 AromaticContact CD2-CE1 3.5Å; Y212-F218 HydrophobicContact CD2-CE1 3.5Å; Y212-F218 VanDerWaalsContact CD2-CE1 3.5Å; Y212-F218 AromaticContact CE2-CD1 3.97Å; Y212-F218 HydrophobicContact CE2-CD1 3.97Å; Y212-F218 AromaticContact CE2-CE1 3.83Å; Y212-F218 HydrophobicContact CE2-CE1 3.83Å; Y212-M244 HydrophobicContact CD1-CE 3.61Å; Y212-M244 HydrophobicContact CD2-CE 3.97Å; Y212-M244 HydrophobicContact CE1-CE 4.09Å; Y212-M244 HydrophobicContact CE2-CE 4.43Å; Y212-M244 HydrophobicContact CG-CE 3.53Å; Y212-M244 PolarHBondContact OH-O 2.83Å
213K89.2Confident82.6Confident60 Ų6057.4 Ų57.426%0.26127%0.27SS..Hα-helixtrans-58.2-44.4174.7-75.8-177.8176.7-168.90110.8E209 L210 R256 L287 D289E209-K213 WeakPolarHBondContact O-CB 3.29Å; E209-K213 WeakPolarHBondContact O-CG 3.12Å; E209-K213 PolarHBondContact O-N 3.43Å; L210-K213 PolarHBondContact O-N 3.16Å; K213-R256 VanDerWaalsContact C-NH2 3.3Å; K213-R256 PolarHBondContact O-NE 3.3Å; K213-R256 VanDerWaalsContact O-NE 3.11Å; K213-R256 PolarHBondContact O-NH2 2.94Å; K213-L287 HydrophobicContact CB-CD2 3.91Å; K213-D289 PolarHBondContact NZ-O 2.97Å; K213-D289 IonicContact NZ-OD1 3.13Å; K213-D289 PolarHBondContact NZ-OD1 3.04Å
214A89.1Confident81.8Confident6 Ų656.6 Ų56.65%0.0527%0.27CS..Hα-helixtrans-67.1-38.5-179.500000113.5L171 V177 L210 L211 Y212 C257 L287L171-A214 HydrophobicContact CD1-CB 3.97Å; L171-A214 HydrophobicContact CD2-CB 3.85Å; V177-A214 HydrophobicContact CG1-CB 3.87Å; L210-A214 WeakPolarHBondContact O-CB 3.43Å; L210-A214 PolarHBondContact O-N 2.88Å; L211-A214 PolarHBondContact O-N 3.15Å; Y212-A214 VanDerWaalsContact C-N 3.31Å; Y212-A214 PolarHBondContact O-N 2.81Å; A214-C257 PolarHBondContact O-SG 3.29Å; A214-L287 HydrophobicContact CB-CD1 3.8Å
215A85.8Confident81Confident5 Ų557.4 Ų57.44%0.04128%0.284CS..Hα-helixtrans-82.5-32.8-17800000113.6V177 H178 I188 L211 Y212 R217 C257V177-A215 HydrophobicContact CB-CB 4.23Å; V177-A215 HydrophobicContact CG2-CB 3.89Å; H178-A215 PolarHBondContact CE1-O 3.05Å; I188-A215 HydrophobicContact CD1-CB 3.57Å; L211-A215 WeakPolarHBondContact O-CB 3.41Å; L211-A215 PolarHBondContact O-N 3.32Å; Y212-A215 PolarHBondContact O-N 2.97Å; A215-R217 PolarHBondContact O-N 3.43Å; A215-C257 PolarHBondContact O-SG 3.46Å
216G77.4Confident80.4Confident6 Ų656.4 Ų56.46%0.06228%0.283CS..SBendtrans68.2-27.5-176.100000114.5Y212Y212-G216 PolarHBondContact O-N 3.34Å
217R76.1Confident79.6Confident164 Ų16455 Ų5562%0.61928%0.278SS*.  trans-146.7140.3172.3-175.3178.4176.4-170.9-4.5109.2A215A215-R217 PolarHBondContact O-N 3.43Å
218F76.5Confident78.6Confident14 Ų1455.6 Ų55.66%0.06128%0.282CS..  trans-141.9158.516974.2-77.7000110.8I188 Y212 I220 L241 M244 V245I188-F218 HydrophobicContact CD1-CB 3.81Å; I188-F218 HydrophobicContact CD1-CG 4.23Å; I188-F218 HydrophobicContact CG2-CB 4.19Å; I188-F218 HydrophobicContact CG2-CD2 3.54Å; I188-F218 HydrophobicContact CG2-CE2 3.98Å; I188-F218 HydrophobicContact CG2-CG 3.85Å; Y212-F218 AromaticContact CD2-CD1 3.56Å; Y212-F218 HydrophobicContact CD2-CD1 3.56Å; Y212-F218 AromaticContact CD2-CE1 3.5Å; Y212-F218 HydrophobicContact CD2-CE1 3.5Å; Y212-F218 VanDerWaalsContact CD2-CE1 3.5Å; Y212-F218 AromaticContact CE2-CD1 3.97Å; Y212-F218 HydrophobicContact CE2-CD1 3.97Å; Y212-F218 AromaticContact CE2-CE1 3.83Å; Y212-F218 HydrophobicContact CE2-CE1 3.83Å; F218-I220 HydrophobicContact CD2-CG1 4.34Å; F218-I220 HydrophobicContact CE2-CG1 3.69Å; F218-I220 HydrophobicContact CZ-CG1 4.4Å; F218-L241 HydrophobicContact CE2-CD2 4.07Å; F218-L241 HydrophobicContact CZ-CD2 3.79Å; F218-M244 HydrophobicContact CE1-CB 4.34Å; F218-V245 HydrophobicContact CD1-CG2 4.2Å; F218-V245 HydrophobicContact CD2-CG2 4.34Å; F218-V245 HydrophobicContact CE1-CG2 3.77Å; F218-V245 HydrophobicContact CE2-CG2 3.94Å; F218-V245 HydrophobicContact CG-CG2 4.48Å; F218-V245 HydrophobicContact CZ-CG2 3.64Å
219E72.1Confident77.7Confident125 Ų12565.1 Ų65.158%0.58432%0.318SS*.  trans-107.4132.1175.7-64.1-176.817400108.9
220I71Confident76.9Confident24 Ų2462.7 Ų62.712%0.12331%0.307CS..SBendtrans-81.8-30.6175.9-59.7157.9000110.3F218 L227 P228 L231 L241 V245F218-I220 HydrophobicContact CD2-CG1 4.34Å; F218-I220 HydrophobicContact CE2-CG1 3.69Å; F218-I220 HydrophobicContact CZ-CG1 4.4Å; I220-L227 HydrophobicContact CG2-CD2 3.88Å; I220-P228 VanDerWaalsContact O-CD 3.3Å; I220-P228 WeakPolarHBondContact O-CD 3.33Å; I220-L231 HydrophobicContact CG2-CD1 3.53Å; I220-L241 HydrophobicContact CD1-CB 3.62Å; I220-L241 HydrophobicContact CG1-CB 4.11Å; I220-V245 HydrophobicContact CD1-CB 4.17Å; I220-V245 HydrophobicContact CD1-CG2 3.61Å; I220-V245 HydrophobicContact CG1-CG2 3.83Å
221R71.5Confident75.9Confident144 Ų14462.2 Ų62.254%0.54330%0.304SS..SBendtrans-78.4143.5179.1-68177.6-178-88.5-2.5109.5G225 T226 L227R221-G225 WeakPolarHBondContact CD-O 3.2Å; R221-G225 PolarHBondContact NH1-O 3.43Å; R221-T226 WeakPolarHBondContact CA-O 3.29Å; R221-L227 HydrophobicContact CG-CG 4.5Å
222R69.4Low74.9Confident79 Ų7966.3 Ų66.330%0.29833%0.333SS..  trans-68.1167.6170-65.8177.7-177.6-166.31.8109.5D224 G225 T226 P228 E230R222-D224 VanDerWaalsContact CB-OD1 3.23Å; R222-D224 WeakPolarHBondContact CB-OD1 3.2Å; R222-D224 PolarHBondContact O-N 2.92Å; R222-G225 WeakPolarHBondContact O-CA 3.4Å; R222-G225 PolarHBondContact O-N 2.64Å; R222-T226 PolarHBondContact N-O 2.95Å; R222-P228 HydrophobicContact CG-CG 4.38Å; R222-E230 IonicContact NH2-OE2 2.8Å
223A65.4Low74.3Confident98 Ų9872.4 Ų72.481%0.8136%0.36SS*.THydrogen-bonded Turntrans-56.9-21.9176.900000113.9G225A223-G225 VanDerWaalsContact C-N 3.28Å
224D66.2Low73.8Confident107 Ų10771.7 Ų71.757%0.57236%0.359SS*.THydrogen-bonded Turntrans-83.33.3174.563.710.9000113.9R222 T226R222-D224 VanDerWaalsContact CB-OD1 3.23Å; R222-D224 WeakPolarHBondContact CB-OD1 3.2Å; R222-D224 PolarHBondContact O-N 2.92Å; D224-T226 PolarHBondContact O-N 3.25Å; D224-T226 VanDerWaalsContact OD1-CB 3.28Å; D224-T226 WeakPolarHBondContact OD1-CB 3.36Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.16Å; D224-T226 PolarHBondContact OD1-N 3.19Å; D224-T226 PolarHBondContact OD1-OG1 3.3Å; D224-T226 PolarHBondContact OD2-OG1 3.04Å
225G68.6Low73.3Confident37 Ų3776 Ų7638%0.38139%0.387SS..SBendtrans77.7-2.3-177.700000114.6R221 R222 A223R221-G225 WeakPolarHBondContact CD-O 3.2Å; R221-G225 PolarHBondContact NH1-O 3.43Å; R222-G225 WeakPolarHBondContact O-CA 3.4Å; R222-G225 PolarHBondContact O-N 2.64Å; A223-G225 VanDerWaalsContact C-N 3.28Å
226T73.6Confident73.1Confident64 Ų6483.4 Ų83.439%0.39342%0.421SS..PPolyproline II helixtrans-82.4146.6-178.870.90000111.8R221 R222 D224R221-T226 WeakPolarHBondContact CA-O 3.29Å; R222-T226 PolarHBondContact N-O 2.95Å; D224-T226 PolarHBondContact O-N 3.25Å; D224-T226 VanDerWaalsContact OD1-CB 3.28Å; D224-T226 WeakPolarHBondContact OD1-CB 3.36Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.16Å; D224-T226 PolarHBondContact OD1-N 3.19Å; D224-T226 PolarHBondContact OD1-OG1 3.3Å; D224-T226 PolarHBondContact OD2-OG1 3.04Å
227L72Confident73.2Confident60 Ų6084 Ų8431%0.31442%0.422SS..PPolyproline II helixtrans-75.5135.9167.7-85.7149.9000108.7I220 R221 R229 L238I220-L227 HydrophobicContact CG2-CD2 3.88Å; R221-L227 HydrophobicContact CG-CG 4.5Å; L227-R229 PolarHBondContact O-N 3.35Å; L227-L238 HydrophobicContact CD2-CD1 3.69Å
228P71.3Confident73.5Confident13 Ų1378.2 Ų78.28%0.08440%0.403CS..PPolyproline II helixtrans-50.5130.6169.2-27.636.1000110.3I220 R222 E230 L231 S232I220-P228 VanDerWaalsContact O-CD 3.3Å; I220-P228 WeakPolarHBondContact O-CD 3.33Å; R222-P228 HydrophobicContact CG-CG 4.38Å; P228-E230 PolarHBondContact O-N 3.22Å; P228-E230 VanDerWaalsContact O-N 3.11Å; P228-L231 HydrophobicContact CB-CB 4.5Å; P228-L231 HydrophobicContact CB-CD1 4.06Å; P228-L231 HydrophobicContact CG-CD1 3.82Å; P228-L231 WeakPolarHBondContact O-CB 3.33Å; P228-L231 PolarHBondContact O-N 3.35Å; P228-S232 PolarHBondContact O-N 3.43Å
229R72.2Confident73.7Confident203 Ų20380.5 Ų80.577%0.76642%0.424SS*.THydrogen-bonded Turntrans-57.3-31.3-176.6-69.8-176.4178.41765.6111.5L227 S232L227-R229 PolarHBondContact O-N 3.35Å; R229-S232 PolarHBondContact O-N 3.18Å; R229-S232 PolarHBondContact O-OG 3.01Å
230E72.2Confident74.2Confident51 Ų5178.1 Ų78.124%0.23841%0.412CS..THydrogen-bonded Turntrans-61-46176.9-58.779.4-17500111.2A196 R222 P228 S232 K233A196-E230 HydrophobicContact CB-CB 3.69Å; R222-E230 IonicContact NH2-OE2 2.8Å; P228-E230 PolarHBondContact O-N 3.22Å; P228-E230 VanDerWaalsContact O-N 3.11Å; E230-S232 VanDerWaalsContact C-N 3.29Å; E230-S232 PolarHBondContact O-N 3.46Å; E230-K233 WeakPolarHBondContact O-CB 3.34Å; E230-K233 PolarHBondContact O-N 3.37Å; E230-K233 VanDerWaalsContact O-N 3.16Å
231L73.3Confident74.8Confident1 Ų177 Ų771%0.00541%0.406CS..G310 helixtrans-66.8-27.7177.8-82.8163.6000113.5V192 A196 I220 P228 K233 D234 L237 L241V192-L231 HydrophobicContact CG1-CD1 3.57Å; V192-L231 HydrophobicContact CG1-CD2 3.75Å; V192-L231 HydrophobicContact CG1-CG 3.87Å; A196-L231 HydrophobicContact CB-CD2 4.43Å; A196-L231 HydrophobicContact CB-CG 4.33Å; I220-L231 HydrophobicContact CG2-CD1 3.53Å; P228-L231 HydrophobicContact CB-CB 4.5Å; P228-L231 HydrophobicContact CB-CD1 4.06Å; P228-L231 HydrophobicContact CG-CD1 3.82Å; P228-L231 WeakPolarHBondContact O-CB 3.33Å; P228-L231 PolarHBondContact O-N 3.35Å; L231-K233 PolarHBondContact O-N 3.24Å; L231-K233 VanDerWaalsContact O-N 3.16Å; L231-D234 PolarHBondContact O-N 3.44Å; L231-L237 HydrophobicContact CD2-CD2 3.84Å; L231-L237 HydrophobicContact CD2-CG 3.98Å; L231-L241 HydrophobicContact CD1-CD1 4.49Å; L231-L241 HydrophobicContact CD2-CD1 3.54Å
232S70.8Confident75.4Confident86 Ų8673.6 Ų73.660%0.60140%0.402SS*.G310 helixtrans-64.9-16.9176.2720000113.3P228 R229 E230P228-S232 PolarHBondContact O-N 3.43Å; R229-S232 PolarHBondContact O-N 3.18Å; R229-S232 PolarHBondContact O-OG 3.01Å; E230-S232 VanDerWaalsContact C-N 3.29Å; E230-S232 PolarHBondContact O-N 3.46Å
233K75.9Confident76Confident173 Ų17373.1 Ų73.175%0.75241%0.411SS*.G310 helixtrans-90.3-16.8179.3-60179.9-179-178.30113.3E230 L231E230-K233 WeakPolarHBondContact O-CB 3.34Å; E230-K233 PolarHBondContact O-N 3.37Å; E230-K233 VanDerWaalsContact O-N 3.16Å; L231-K233 PolarHBondContact O-N 3.24Å; L231-K233 VanDerWaalsContact O-N 3.16Å
234D80.2Confident76.7Confident45 Ų4569.6 Ų69.624%0.24138%0.378CS..  trans-120.693.3-178.4-170.5-19.9000110.9L231 Q236 L237 L238L231-D234 PolarHBondContact O-N 3.44Å; D234-Q236 VanDerWaalsContact C-N 3.29Å; D234-Q236 PolarHBondContact O-N 2.67Å; D234-Q236 PolarHBondContact OD1-N 2.63Å; D234-L237 HydrophobicContact CB-CB 4.11Å; D234-L237 VanDerWaalsContact CG-CB 3.49Å; D234-L237 PolarHBondContact OD1-N 2.96Å; D234-L237 WeakPolarHBondContact OD2-CB 3.33Å; D234-L238 WeakPolarHBondContact O-CB 3.49Å; D234-L238 PolarHBondContact O-N 3.29Å; D234-L238 VanDerWaalsContact O-N 3.12Å
235P77.6Confident77.4Confident97 Ų9767.5 Ų67.563%0.6337%0.369SS*.Hα-helixtrans-70-24.1-178.628.1-33.7000113.1A239P235-A239 WeakPolarHBondContact O-CB 3.27Å; P235-A239 PolarHBondContact O-N 3.44Å
236Q80.9Confident77.7Confident161 Ų16169.4 Ų69.475%0.75238%0.38SS*.Hα-helixtrans-74.9-48.8-179.6-69.4-177.6-800110.5D234 L238 A239 K240D234-Q236 VanDerWaalsContact C-N 3.29Å; D234-Q236 PolarHBondContact O-N 2.67Å; D234-Q236 PolarHBondContact OD1-N 2.63Å; Q236-L238 VanDerWaalsContact C-N 3.29Å; Q236-L238 PolarHBondContact O-N 2.96Å; Q236-A239 PolarHBondContact O-N 3.16Å; Q236-K240 PolarHBondContact O-N 3.47Å
237L80.9Confident77.8Confident17 Ų1771.8 Ų71.89%0.08939%0.387CS..Hα-helixtrans-60.4-41.9174.4-17962.9000110.9L195 A196 L231 D234 A239 K240 L241L195-L237 HydrophobicContact CB-CD1 4.32Å; L195-L237 HydrophobicContact CB-CD2 3.71Å; L195-L237 HydrophobicContact CD1-CD1 4.36Å; A196-L237 HydrophobicContact CB-CD2 3.95Å; L231-L237 HydrophobicContact CD2-CD2 3.84Å; L231-L237 HydrophobicContact CD2-CG 3.98Å; D234-L237 HydrophobicContact CB-CB 4.11Å; D234-L237 VanDerWaalsContact CG-CB 3.49Å; D234-L237 PolarHBondContact OD1-N 2.96Å; D234-L237 WeakPolarHBondContact OD2-CB 3.33Å; L237-A239 VanDerWaalsContact C-N 3.35Å; L237-A239 PolarHBondContact O-N 2.98Å; L237-K240 PolarHBondContact O-N 3.16Å; L237-L241 HydrophobicContact CD1-CD1 4.13Å; L237-L241 HydrophobicContact CD1-CG 4.2Å; L237-L241 HydrophobicContact CG-CD1 3.89Å; L237-L241 HydrophobicContact CG-CG 4.39Å; L237-L241 WeakPolarHBondContact O-CB 3.43Å; L237-L241 VanDerWaalsContact O-CG 3.25Å; L237-L241 WeakPolarHBondContact O-CG 3.28Å; L237-L241 PolarHBondContact O-N 2.81Å
238L82.1Confident77.9Confident44 Ų4475.1 Ų75.123%0.2341%0.41CS..Hα-helixtrans-61.5-41.7176.2-177.661.5000112.2L227 D234 Q236 T242L227-L238 HydrophobicContact CD2-CD1 3.69Å; D234-L238 WeakPolarHBondContact O-CB 3.49Å; D234-L238 PolarHBondContact O-N 3.29Å; D234-L238 VanDerWaalsContact O-N 3.12Å; Q236-L238 VanDerWaalsContact C-N 3.29Å; Q236-L238 PolarHBondContact O-N 2.96Å; L238-T242 VanDerWaalsContact O-CB 3.24Å; L238-T242 WeakPolarHBondContact O-CB 3.34Å; L238-T242 PolarHBondContact O-N 3.29Å; L238-T242 PolarHBondContact O-OG1 2.82Å
239A81.3Confident78.2Confident61 Ų6176.3 Ų76.350%0.50442%0.418SS..Hα-helixtrans-64.3-44.8176.300000111.8P235 Q236 L237 T242 S243P235-A239 WeakPolarHBondContact O-CB 3.27Å; P235-A239 PolarHBondContact O-N 3.44Å; Q236-A239 PolarHBondContact O-N 3.16Å; L237-A239 VanDerWaalsContact C-N 3.35Å; L237-A239 PolarHBondContact O-N 2.98Å; A239-T242 PolarHBondContact O-N 3.39Å; A239-S243 PolarHBondContact O-N 2.89Å
240K82.9Confident78.9Confident75 Ų7570.7 Ų70.733%0.32641%0.406SS..Hα-helixtrans-58.5-52176.3-173.5176.6-179.4178.80110.9E205 Q236 L237 T242 S243 M244E205-K240 IonicContact OE1-NZ 3.79Å; E205-K240 PolarHBondContact OE1-NZ 3.3Å; E205-K240 IonicContact OE2-NZ 3.77Å; E205-K240 PolarHBondContact OE2-NZ 3.43Å; Q236-K240 PolarHBondContact O-N 3.47Å; L237-K240 PolarHBondContact O-N 3.16Å; K240-T242 VanDerWaalsContact C-N 3.35Å; K240-T242 PolarHBondContact O-N 2.88Å; K240-S243 WeakPolarHBondContact O-CB 3.5Å; K240-S243 PolarHBondContact O-N 3.34Å; K240-M244 HydrophobicContact CG-SD 4.5Å; K240-M244 WeakPolarHBondContact O-CG 3.37Å; K240-M244 PolarHBondContact O-N 3.33Å
241L83.4Confident79.7Confident0 Ų075 Ų750%043%0.43CS..Hα-helixtrans-63.1-40.9179-66.7170.4000112V192 L208 F218 I220 L231 L237 S243 M244 V245V192-L241 HydrophobicContact CB-CD1 4.47Å; V192-L241 HydrophobicContact CG1-CD1 3.5Å; V192-L241 HydrophobicContact CG2-CD1 4.08Å; V192-L241 HydrophobicContact CG2-CD2 3.97Å; L208-L241 HydrophobicContact CD1-CD2 4.38Å; L208-L241 HydrophobicContact CD2-CD2 3.88Å; F218-L241 HydrophobicContact CE2-CD2 4.07Å; F218-L241 HydrophobicContact CZ-CD2 3.79Å; I220-L241 HydrophobicContact CD1-CB 3.62Å; I220-L241 HydrophobicContact CG1-CB 4.11Å; L231-L241 HydrophobicContact CD1-CD1 4.49Å; L231-L241 HydrophobicContact CD2-CD1 3.54Å; L237-L241 HydrophobicContact CD1-CD1 4.13Å; L237-L241 HydrophobicContact CD1-CG 4.2Å; L237-L241 HydrophobicContact CG-CD1 3.89Å; L237-L241 HydrophobicContact CG-CG 4.39Å; L237-L241 WeakPolarHBondContact O-CB 3.43Å; L237-L241 VanDerWaalsContact O-CG 3.25Å; L237-L241 WeakPolarHBondContact O-CG 3.28Å; L237-L241 PolarHBondContact O-N 2.81Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 2.84Å; L241-M244 HydrophobicContact CD2-SD 4.46Å; L241-M244 PolarHBondContact O-N 3.31Å; L241-V245 WeakPolarHBondContact O-CG2 3.21Å; L241-V245 PolarHBondContact O-N 3.45Å
242T82.4Confident80.4Confident73 Ų7381.3 Ų81.345%0.44845%0.454SS..Hα-helixtrans-63-39.3177.4-57.90000111L238 A239 K240 V245 A246L238-T242 VanDerWaalsContact O-CB 3.24Å; L238-T242 WeakPolarHBondContact O-CB 3.34Å; L238-T242 PolarHBondContact O-N 3.29Å; L238-T242 PolarHBondContact O-OG1 2.82Å; A239-T242 PolarHBondContact O-N 3.39Å; K240-T242 VanDerWaalsContact C-N 3.35Å; K240-T242 PolarHBondContact O-N 2.88Å; T242-V245 PolarHBondContact O-N 3.36Å; T242-A246 WeakPolarHBondContact O-CB 3.21Å; T242-A246 PolarHBondContact O-N 3.33Å
243S83.4Confident81.2Confident69 Ų6977.8 Ų77.848%0.48343%0.43SS..Hα-helixtrans-60.7-48.7172.8-1680000111.3A239 K240 L241 V245 A246 E247A239-S243 PolarHBondContact O-N 2.89Å; K240-S243 WeakPolarHBondContact O-CB 3.5Å; K240-S243 PolarHBondContact O-N 3.34Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 2.84Å; S243-V245 VanDerWaalsContact C-N 3.32Å; S243-V245 PolarHBondContact O-N 2.99Å; S243-A246 PolarHBondContact O-N 3.19Å; S243-E247 PolarHBondContact O-N 3.28Å; S243-E247 VanDerWaalsContact O-N 3.15Å
244M80.2Confident81.7Confident25 Ų2573.6 Ų73.612%0.12342%0.415CS..Hα-helixtrans-60.9-38.5179-66.3174.674.300112.7L208 Y212 F218 K240 L241L208-M244 HydrophobicContact CD2-SD 4.48Å; Y212-M244 HydrophobicContact CD1-CE 3.61Å; Y212-M244 HydrophobicContact CD2-CE 3.97Å; Y212-M244 HydrophobicContact CE1-CE 4.09Å; Y212-M244 HydrophobicContact CE2-CE 4.43Å; Y212-M244 HydrophobicContact CG-CE 3.53Å; Y212-M244 PolarHBondContact OH-O 2.83Å; F218-M244 HydrophobicContact CE1-CB 4.34Å; K240-M244 HydrophobicContact CG-SD 4.5Å; K240-M244 WeakPolarHBondContact O-CG 3.37Å; K240-M244 PolarHBondContact O-N 3.33Å; L241-M244 HydrophobicContact CD2-SD 4.46Å; L241-M244 PolarHBondContact O-N 3.31Å
245V79.4Confident82.2Confident63 Ų6374.2 Ų74.238%0.38242%0.423SS..Hα-helixtrans-77-29.3178.5173.20000112.4F218 I220 L241 T242 S243 E247F218-V245 HydrophobicContact CD1-CG2 4.2Å; F218-V245 HydrophobicContact CD2-CG2 4.34Å; F218-V245 HydrophobicContact CE1-CG2 3.77Å; F218-V245 HydrophobicContact CE2-CG2 3.94Å; F218-V245 HydrophobicContact CG-CG2 4.48Å; F218-V245 HydrophobicContact CZ-CG2 3.64Å; I220-V245 HydrophobicContact CD1-CB 4.17Å; I220-V245 HydrophobicContact CD1-CG2 3.61Å; I220-V245 HydrophobicContact CG1-CG2 3.83Å; L241-V245 WeakPolarHBondContact O-CG2 3.21Å; L241-V245 PolarHBondContact O-N 3.45Å; T242-V245 PolarHBondContact O-N 3.36Å; S243-V245 VanDerWaalsContact C-N 3.32Å; S243-V245 PolarHBondContact O-N 2.99Å; V245-E247 VanDerWaalsContact C-N 3.29Å
246A75.8Confident82.9Confident76 Ų7670.2 Ų70.263%0.62840%0.395SS*.Hα-helixtrans-73.2-23.3177.300000112.5T242 S243 V248T242-A246 WeakPolarHBondContact O-CB 3.21Å; T242-A246 PolarHBondContact O-N 3.33Å; S243-A246 PolarHBondContact O-N 3.19Å; A246-V248 PolarHBondContact O-N 2.94Å
247E75.4Confident83.2Confident114 Ų11463 Ų6353%0.53336%0.362SS..SBendtrans-62.6118.1172.1-74.7179.7-173.400110.3S243 V245 P249S243-E247 PolarHBondContact O-N 3.28Å; S243-E247 VanDerWaalsContact O-N 3.15Å; V245-E247 VanDerWaalsContact C-N 3.29Å; E247-P249 WeakPolarHBondContact O-CD 3.3Å
248V74.1Confident83.6Confident130 Ų13064.5 Ų64.579%0.78838%0.377SS*.PPolyproline II helixtrans-64.5121.1174.6-179.50000107.6A246 T250A246-V248 PolarHBondContact O-N 2.94Å; V248-T250 PolarHBondContact O-N 2.92Å
249P78.9Confident84.1Confident39 Ų3965 Ų6525%0.25338%0.382SS..PPolyproline II helixtrans-60.9126.1-178.122.5-31.7000109.3E247 L254E247-P249 WeakPolarHBondContact O-CD 3.3Å; P249-L254 HydrophobicContact CB-CD2 3.97Å; P249-L254 HydrophobicContact CB-CG 4.14Å; P249-L254 HydrophobicContact CG-CD2 3.97Å; P249-L254 HydrophobicContact CG-CG 4.35Å
250T86.8Confident84.7Confident85 Ų8563.2 Ų63.252%0.52136%0.362SS..PPolyproline II helixtrans-61.5151.1178.763.40000110V248 R252 A253 L254V248-T250 PolarHBondContact O-N 2.92Å; T250-R252 PolarHBondContact O-N 3.23Å; T250-R252 VanDerWaalsContact O-N 3.07Å; T250-A253 PolarHBondContact O-N 3.07Å; T250-A253 PolarHBondContact OG1-N 3.45Å; T250-L254 PolarHBondContact O-N 2.99Å
251L87.3Confident84.9Confident140 Ų14065.5 Ų65.573%0.73337%0.374SS*.Hα-helixtrans-53-33.5173.3-177.164.5000111.3S255L251-S255 VanDerWaalsContact O-CB 3.29Å; L251-S255 WeakPolarHBondContact O-CB 3.49Å; L251-S255 PolarHBondContact O-N 3.13Å; L251-S255 PolarHBondContact O-OG 3.34Å
252R88.6Confident85.3Confident135 Ų13570.5 Ų70.551%0.50941%0.409SS..Hα-helixtrans-61.8-47.3175-168-172.5170.7102.7-1.5111.9T250 S255 R256 Y284T250-R252 PolarHBondContact O-N 3.23Å; T250-R252 VanDerWaalsContact O-N 3.07Å; R252-S255 PolarHBondContact O-N 3.2Å; R252-R256 PolarHBondContact O-N 2.96Å; R252-Y284 HydrophobicContact CG-CD1 4.41Å; R252-Y284 HydrophobicContact CG-CE1 3.58Å
253A87.3Confident85.7Confident12 Ų1268.4 Ų68.410%0.09940%0.395CS..Hα-helixtrans-64.9-44.3177.500000112.2T250 S255 R256 C257 Y284T250-A253 PolarHBondContact O-N 3.07Å; T250-A253 PolarHBondContact OG1-N 3.45Å; A253-S255 VanDerWaalsContact C-N 3.31Å; A253-S255 PolarHBondContact O-N 3.36Å; A253-R256 WeakPolarHBondContact O-CB 3.29Å; A253-R256 PolarHBondContact O-N 3.31Å; A253-C257 PolarHBondContact O-N 3.21Å; A253-C257 VanDerWaalsContact O-N 3.11Å; A253-C257 PolarHBondContact O-SG 3.38Å; A253-C257 VanDerWaalsContact O-SG 3.41Å; A253-Y284 WeakPolarHBondContact CA-OH 3.31Å; A253-Y284 PolarHBondContact N-OH 3.4Å
254L87.4Confident86Confident85 Ų8566.6 Ų66.645%0.44539%0.387SS..Hα-helixtrans-60.7-41.6175.7-65.8177.3000111.7P249 T250 C257 A258P249-L254 HydrophobicContact CB-CD2 3.97Å; P249-L254 HydrophobicContact CB-CG 4.14Å; P249-L254 HydrophobicContact CG-CD2 3.97Å; P249-L254 HydrophobicContact CG-CG 4.35Å; T250-L254 PolarHBondContact O-N 2.99Å; L254-C257 PolarHBondContact O-N 3.11Å; L254-A258 WeakPolarHBondContact O-CB 3.36Å; L254-A258 PolarHBondContact O-N 3.41Å
255S90.7Very high86.4Confident57 Ų5769.3 Ų69.340%0.39941%0.405SS..Hα-helixtrans-63.1-42.4177.1-58.90000111.6L251 R252 A253 C257 A258 V259L251-S255 VanDerWaalsContact O-CB 3.29Å; L251-S255 WeakPolarHBondContact O-CB 3.49Å; L251-S255 PolarHBondContact O-N 3.13Å; L251-S255 PolarHBondContact O-OG 3.34Å; R252-S255 PolarHBondContact O-N 3.2Å; A253-S255 VanDerWaalsContact C-N 3.31Å; A253-S255 PolarHBondContact O-N 3.36Å; S255-C257 PolarHBondContact O-N 2.79Å; S255-A258 PolarHBondContact O-N 3.37Å; S255-V259 WeakPolarHBondContact O-CB 3.48Å; S255-V259 VanDerWaalsContact O-CG2 3.26Å; S255-V259 WeakPolarHBondContact O-CG2 3.46Å; S255-V259 PolarHBondContact O-N 3.13Å
256R91.9Very high87Confident13 Ų1373.3 Ų73.35%0.04941%0.413CS..Hα-helixtrans-57.5-49.6174.8173.6175.670.2-164.2-7.3111.6K213 R252 A253 V259 R260 Y284 L285 D289K213-R256 VanDerWaalsContact C-NH2 3.3Å; K213-R256 PolarHBondContact O-NE 3.3Å; K213-R256 VanDerWaalsContact O-NE 3.11Å; K213-R256 PolarHBondContact O-NH2 2.94Å; R252-R256 PolarHBondContact O-N 2.96Å; A253-R256 WeakPolarHBondContact O-CB 3.29Å; A253-R256 PolarHBondContact O-N 3.31Å; R256-V259 PolarHBondContact O-N 3.32Å; R256-R260 HydrophobicContact CG-CG 4.45Å; R256-R260 WeakPolarHBondContact O-CB 3.12Å; R256-R260 VanDerWaalsContact O-CG 3.3Å; R256-R260 WeakPolarHBondContact O-CG 3.5Å; R256-R260 PolarHBondContact O-N 3.43Å; R256-Y284 HydrophobicContact CB-CD1 4.26Å; R256-Y284 HydrophobicContact CB-CE1 3.63Å; R256-Y284 WeakPolarHBondContact CD-O 3.47Å; R256-Y284 HydrophobicContact CG-CE1 4.24Å; R256-L285 HydrophobicContact CB-CD2 4.35Å; R256-L285 HydrophobicContact CG-CD2 4.26Å; R256-D289 IonicContact NH1-OD1 3.66Å; R256-D289 IonicContact NH1-OD2 2.63Å
257C87.8Confident87.9Confident10 Ų1072.2 Ų72.27%0.06839%0.394CS..Hα-helixtrans-61.7-45.7-179.9-64.80000111.4A214 A215 A253 L254 S255 V259 R260 Q261A214-C257 PolarHBondContact O-SG 3.29Å; A215-C257 PolarHBondContact O-SG 3.46Å; A253-C257 PolarHBondContact O-N 3.21Å; A253-C257 VanDerWaalsContact O-N 3.11Å; A253-C257 PolarHBondContact O-SG 3.38Å; A253-C257 VanDerWaalsContact O-SG 3.41Å; L254-C257 PolarHBondContact O-N 3.11Å; S255-C257 PolarHBondContact O-N 2.79Å; C257-V259 PolarHBondContact O-N 2.94Å; C257-R260 PolarHBondContact O-N 3.01Å; C257-Q261 WeakPolarHBondContact O-CB 3.26Å; C257-Q261 VanDerWaalsContact O-CG 3.24Å; C257-Q261 WeakPolarHBondContact O-CG 3.44Å; C257-Q261 PolarHBondContact O-N 2.96Å
258A89.4Confident88.6Confident48 Ų4866.9 Ų66.940%0.39737%0.369SS..Hα-helixtrans-61.8-42.5178.700000112.7L254 S255 Q261 S262L254-A258 WeakPolarHBondContact O-CB 3.36Å; L254-A258 PolarHBondContact O-N 3.41Å; S255-A258 PolarHBondContact O-N 3.37Å; A258-Q261 PolarHBondContact O-N 2.85Å; A258-S262 WeakPolarHBondContact O-CB 3.36Å; A258-S262 PolarHBondContact O-N 3.23Å; A258-S262 PolarHBondContact O-OG 3.39Å
259V91.9Very high89.5Confident54 Ų5461.6 Ų61.633%0.32734%0.338SS..Hα-helixtrans-65.3-48.2177.2172.20000110.7S255 R256 C257 Q261 S262 L263 L285S255-V259 WeakPolarHBondContact O-CB 3.48Å; S255-V259 VanDerWaalsContact O-CG2 3.26Å; S255-V259 WeakPolarHBondContact O-CG2 3.46Å; S255-V259 PolarHBondContact O-N 3.13Å; R256-V259 PolarHBondContact O-N 3.32Å; C257-V259 PolarHBondContact O-N 2.94Å; V259-Q261 VanDerWaalsContact C-N 3.31Å; V259-Q261 PolarHBondContact O-N 3.19Å; V259-S262 WeakPolarHBondContact O-CB 3.43Å; V259-S262 PolarHBondContact O-N 3.33Å; V259-L263 HydrophobicContact CG1-CD1 4.38Å; V259-L263 WeakPolarHBondContact O-CG 3.49Å; V259-L263 PolarHBondContact O-N 3.01Å; V259-L285 HydrophobicContact CB-CD2 3.85Å; V259-L285 HydrophobicContact CG1-CD1 3.94Å; V259-L285 HydrophobicContact CG1-CD2 3.76Å; V259-L285 HydrophobicContact CG1-CG 4.49Å; V259-L285 HydrophobicContact CG2-CD2 4.44Å
260R92.8Very high90.2Very high25 Ų2563.4 Ų63.49%0.09435%0.348CS..Hα-helixtrans-58.9-41.9177.9-71.817463.477.97.9112L171 R256 C257 S262 L263 L285L171-R260 PolarHBondContact O-NH2 2.99Å; R256-R260 HydrophobicContact CG-CG 4.45Å; R256-R260 WeakPolarHBondContact O-CB 3.12Å; R256-R260 VanDerWaalsContact O-CG 3.3Å; R256-R260 WeakPolarHBondContact O-CG 3.5Å; R256-R260 PolarHBondContact O-N 3.43Å; C257-R260 PolarHBondContact O-N 3.01Å; R260-S262 VanDerWaalsContact C-N 3.32Å; R260-S262 PolarHBondContact O-N 3.26Å; R260-L263 PolarHBondContact O-N 3Å; R260-L285 WeakPolarHBondContact CD-O 3.44Å; R260-L285 PolarHBondContact NH1-O 3.4Å
261Q88.4Confident90.4Very high122 Ų12259.8 Ų59.857%0.5733%0.327SS*.Hα-helixtrans-62.9-39174.7-73.2172.86.100112.1C257 A258 V259 L263 G264C257-Q261 WeakPolarHBondContact O-CB 3.26Å; C257-Q261 VanDerWaalsContact O-CG 3.24Å; C257-Q261 WeakPolarHBondContact O-CG 3.44Å; C257-Q261 PolarHBondContact O-N 2.96Å; A258-Q261 PolarHBondContact O-N 2.85Å; V259-Q261 VanDerWaalsContact C-N 3.31Å; V259-Q261 PolarHBondContact O-N 3.19Å; Q261-L263 VanDerWaalsContact C-N 3.34Å; Q261-L263 PolarHBondContact O-N 2.9Å; Q261-G264 PolarHBondContact O-N 3.47Å
262S91.4Very high90.7Very high106 Ų10653.2 Ų53.274%0.74129%0.293SS*.Hα-helixtrans-70-28.4-179.7-57.50000113.4A258 V259 R260 G264A258-S262 WeakPolarHBondContact O-CB 3.36Å; A258-S262 PolarHBondContact O-N 3.23Å; A258-S262 PolarHBondContact O-OG 3.39Å; V259-S262 WeakPolarHBondContact O-CB 3.43Å; V259-S262 PolarHBondContact O-N 3.33Å; R260-S262 VanDerWaalsContact C-N 3.32Å; R260-S262 PolarHBondContact O-N 3.26Å; S262-G264 PolarHBondContact O-N 3.26Å
263L91.2Very high90.8Very high29 Ų2954.5 Ų54.515%0.15230%0.302CS..Hα-helixtrans-69.1-22.4174.3-67.2172.4000112.4V259 R260 Q261 R266 L268 A271 V272V259-L263 HydrophobicContact CG1-CD1 4.38Å; V259-L263 WeakPolarHBondContact O-CG 3.49Å; V259-L263 PolarHBondContact O-N 3.01Å; R260-L263 PolarHBondContact O-N 3Å; Q261-L263 VanDerWaalsContact C-N 3.34Å; Q261-L263 PolarHBondContact O-N 2.9Å; L263-R266 WeakPolarHBondContact O-CD 3.38Å; L263-R266 PolarHBondContact O-NE 3.15Å; L263-L268 HydrophobicContact CB-CD2 3.6Å; L263-L268 HydrophobicContact CD1-CD2 3.85Å; L263-L268 HydrophobicContact CG-CD2 4.37Å; L263-A271 HydrophobicContact CD2-CB 4.22Å; L263-V272 HydrophobicContact CD1-CG2 3.7Å
264G88.4Confident91.1Very high30 Ų3061.8 Ų61.831%0.30933%0.334SS..  trans70.3-154.6175.400000113.8Q261 S262 R266Q261-G264 PolarHBondContact O-N 3.47Å; S262-G264 PolarHBondContact O-N 3.26Å; G264-R266 PolarHBondContact O-N 3.48Å
265V89.3Confident91.3Very high83 Ų8360 Ų6050%0.50332%0.324SS..SBendtrans-89.795.4-177.2-175.90000109.6P144 N145P144-V265 HydrophobicContact CG-CG1 3.33Å; N145-V265 WeakPolarHBondContact ND2-CG2 3.33Å
266R92.2Very high91.5Very high147 Ų14763.4 Ų63.456%0.55535%0.345SS*.SBendtrans-160.8170.8174.765.1-174.870.3-152.5-3.8108.7Y173 L263 G264 L268 A271Y173-R266 CarbonylContact C-O 3.31Å; Y173-R266 VanDerWaalsContact C-O 3.31Å; Y173-R266 WeakPolarHBondContact CA-O 3.28Å; L263-R266 WeakPolarHBondContact O-CD 3.38Å; L263-R266 PolarHBondContact O-NE 3.15Å; G264-R266 PolarHBondContact O-N 3.48Å; R266-L268 PolarHBondContact O-N 2.99Å; R266-L268 VanDerWaalsContact O-N 3.07Å; R266-A271 HydrophobicContact CG-CB 4.19Å
267F93.9Very high91.6Very high53 Ų5366 Ų6623%0.23236%0.36CS..  trans-66.4108.6168.6-169.9-127.1000109.9E172 Y173 P269 T270 A271E172-F267 HydrophobicContact CB-CD2 4.47Å; E172-F267 HydrophobicContact CB-CE2 4.16Å; Y173-F267 HydrophobicContact CD1-CB 4.07Å; Y173-F267 HydrophobicContact CD1-CD2 4.02Å; Y173-F267 HydrophobicContact CD1-CG 4.49Å; Y173-F267 AromaticContact CD2-CD2 3.86Å; Y173-F267 HydrophobicContact CD2-CD2 3.86Å; Y173-F267 HydrophobicContact CD2-CE2 4.29Å; Y173-F267 HydrophobicContact CE1-CB 3.77Å; Y173-F267 AromaticContact CE1-CD2 3.63Å; Y173-F267 HydrophobicContact CE1-CD2 3.63Å; Y173-F267 AromaticContact CE1-CG 3.98Å; Y173-F267 HydrophobicContact CE1-CG 3.98Å; Y173-F267 AromaticContact CE2-CD2 3.48Å; Y173-F267 HydrophobicContact CE2-CD2 3.48Å; Y173-F267 VanDerWaalsContact CE2-CD2 3.48Å; Y173-F267 AromaticContact CE2-CE2 3.7Å; Y173-F267 HydrophobicContact CE2-CE2 3.7Å; Y173-F267 HydrophobicContact CG-CD2 4.13Å; Y173-F267 AromaticContact CZ-CD2 3.34Å; Y173-F267 AromaticContact CZ-CE2 3.84Å; F267-P269 HydrophobicContact CD1-CB 4.27Å; F267-P269 HydrophobicContact CD1-CG 4.42Å; F267-P269 HydrophobicContact CD2-CG 4.18Å; F267-P269 HydrophobicContact CE1-CB 3.69Å; F267-P269 HydrophobicContact CE1-CG 3.9Å; F267-P269 HydrophobicContact CE2-CB 4.34Å; F267-P269 HydrophobicContact CE2-CG 3.61Å; F267-P269 HydrophobicContact CZ-CB 3.73Å; F267-P269 HydrophobicContact CZ-CG 3.45Å; F267-P269 VanDerWaalsContact CZ-CG 3.45Å; F267-T270 HydrophobicContact CD1-CG2 3.65Å; F267-T270 HydrophobicContact CE1-CG2 4.07Å; F267-T270 PolarHBondContact O-OG1 3.21Å; F267-A271 PolarHBondContact O-N 3.47Å
268L91.5Very high92Very high2 Ų269.4 Ų69.41%0.0138%0.381CS..Hα-helixtrans-66.2-37.2-175.2-62.8179.8000113.3L171 E172 L263 R266 T270 A271 V272 L286L171-L268 VanDerWaalsContact O-CD1 3.31Å; L171-L268 WeakPolarHBondContact O-CD1 3.27Å; E172-L268 VanDerWaalsContact O-CB 3.28Å; E172-L268 WeakPolarHBondContact O-CB 3.36Å; E172-L268 VanDerWaalsContact O-CG 3.28Å; E172-L268 WeakPolarHBondContact O-CG 3.32Å; E172-L268 PolarHBondContact O-N 2.91Å; L263-L268 HydrophobicContact CB-CD2 3.6Å; L263-L268 HydrophobicContact CD1-CD2 3.85Å; L263-L268 HydrophobicContact CG-CD2 4.37Å; R266-L268 PolarHBondContact O-N 2.99Å; R266-L268 VanDerWaalsContact O-N 3.07Å; L268-T270 VanDerWaalsContact C-N 3.33Å; L268-T270 PolarHBondContact O-N 3.42Å; L268-A271 PolarHBondContact O-N 3.08Å; L268-V272 WeakPolarHBondContact O-CB 3.48Å; L268-V272 VanDerWaalsContact O-CG2 3.27Å; L268-V272 WeakPolarHBondContact O-CG2 3.45Å; L268-V272 PolarHBondContact O-N 2.99Å; L268-L286 HydrophobicContact CB-CD2 4.29Å
269P92.4Very high92.2Very high19 Ų1972.6 Ų72.612%0.12339%0.388CS..Hα-helixtrans-56.4-41177.9-29.237.7000114.3E172 F267 K273 L286E172-P269 HydrophobicContact CB-CG 4.38Å; E172-P269 HydrophobicContact CG-CG 4.33Å; F267-P269 HydrophobicContact CD1-CB 4.27Å; F267-P269 HydrophobicContact CD1-CG 4.42Å; F267-P269 HydrophobicContact CD2-CG 4.18Å; F267-P269 HydrophobicContact CE1-CB 3.69Å; F267-P269 HydrophobicContact CE1-CG 3.9Å; F267-P269 HydrophobicContact CE2-CB 4.34Å; F267-P269 HydrophobicContact CE2-CG 3.61Å; F267-P269 HydrophobicContact CZ-CB 3.73Å; F267-P269 HydrophobicContact CZ-CG 3.45Å; F267-P269 VanDerWaalsContact CZ-CG 3.45Å; P269-K273 WeakPolarHBondContact O-CB 3.33Å; P269-K273 PolarHBondContact O-N 3Å; P269-L286 HydrophobicContact CB-CD1 4.48Å; P269-L286 HydrophobicContact CB-CD2 4.34Å; P269-L286 HydrophobicContact CG-CD2 4.07Å
270T92.8Very high92.3Very high77 Ų7774 Ų7447%0.47240%0.4SS..Hα-helixtrans-69.3-45.5175.3480000111.2F267 L268 V272 K273 E274F267-T270 HydrophobicContact CD1-CG2 3.65Å; F267-T270 HydrophobicContact CE1-CG2 4.07Å; F267-T270 PolarHBondContact O-OG1 3.21Å; L268-T270 VanDerWaalsContact C-N 3.33Å; L268-T270 PolarHBondContact O-N 3.42Å; T270-V272 PolarHBondContact O-N 2.8Å; T270-K273 WeakPolarHBondContact O-CB 3.43Å; T270-K273 PolarHBondContact O-N 2.65Å; T270-E274 PolarHBondContact O-N 2.8Å
271A91.9Very high92.3Very high9 Ų974.9 Ų74.97%0.07441%0.408CS..Hα-helixtrans-63.5-40.2-179.800000113.2L263 R266 F267 L268 E274L263-A271 HydrophobicContact CD2-CB 4.22Å; R266-A271 HydrophobicContact CG-CB 4.19Å; F267-A271 PolarHBondContact O-N 3.47Å; L268-A271 PolarHBondContact O-N 3.08Å; A271-E274 PolarHBondContact O-N 3.36Å
272V92.6Very high92.5Very high2 Ų270.3 Ų70.31%0.01239%0.387CS..Hα-helixtrans-70.7-34.1178.7171.50000111.3L263 L268 T270 E274 L275 K282 L285 L286L263-V272 HydrophobicContact CD1-CG2 3.7Å; L268-V272 WeakPolarHBondContact O-CB 3.48Å; L268-V272 VanDerWaalsContact O-CG2 3.27Å; L268-V272 WeakPolarHBondContact O-CG2 3.45Å; L268-V272 PolarHBondContact O-N 2.99Å; T270-V272 PolarHBondContact O-N 2.8Å; V272-E274 PolarHBondContact O-N 2.95Å; V272-L275 HydrophobicContact CG2-CD1 4.47Å; V272-L275 WeakPolarHBondContact O-CB 3.28Å; V272-L275 PolarHBondContact O-N 2.74Å; V272-L275 VanDerWaalsContact O-N 3.11Å; V272-K282 HydrophobicContact CG1-CB 3.7Å; V272-K282 HydrophobicContact CG1-CG 3.8Å; V272-K282 WeakPolarHBondContact O-CE 3.48Å; V272-L285 HydrophobicContact CG1-CB 4.23Å; V272-L285 HydrophobicContact CG1-CD1 4.27Å; V272-L285 HydrophobicContact CG2-CB 4.28Å; V272-L286 HydrophobicContact CB-CD2 4.01Å; V272-L286 HydrophobicContact CB-CG 4.35Å; V272-L286 HydrophobicContact CG1-CD1 4.49Å; V272-L286 HydrophobicContact CG1-CD2 4.35Å; V272-L286 HydrophobicContact CG1-CG 4.17Å; V272-L286 HydrophobicContact CG2-CD2 3.86Å; V272-L286 HydrophobicContact CG2-CG 4.49Å
273K92.5Very high92.6Very high162 Ų16268.1 Ų68.170%0.70437%0.365SS*.Hα-helixtrans-59.9-35.8177.3-174175.5-179.6178.50112.2P269 T270 L275 K282P269-K273 WeakPolarHBondContact O-CB 3.33Å; P269-K273 PolarHBondContact O-N 3Å; T270-K273 WeakPolarHBondContact O-CB 3.43Å; T270-K273 PolarHBondContact O-N 2.65Å; K273-L275 VanDerWaalsContact C-N 3.3Å; K273-L275 PolarHBondContact O-N 2.98Å; K273-K282 PolarHBondContact O-NZ 3.16Å
274E92.7Very high92.6Very high165 Ų16567.8 Ų67.877%0.77136%0.362SS*.THydrogen-bonded Turntrans-74.2-15.7178.7-65.9177.217600113.8T270 A271 V272T270-E274 PolarHBondContact O-N 2.8Å; A271-E274 PolarHBondContact O-N 3.36Å; V272-E274 PolarHBondContact O-N 2.95Å
275L92.4Very high92.8Very high46 Ų4666.7 Ų66.724%0.24135%0.349CS..SBendtrans-69.9140.4-179.9-62.8175.4000111.5V272 K273 L277 K282 L285V272-L275 HydrophobicContact CG2-CD1 4.47Å; V272-L275 WeakPolarHBondContact O-CB 3.28Å; V272-L275 PolarHBondContact O-N 2.74Å; V272-L275 VanDerWaalsContact O-N 3.11Å; K273-L275 VanDerWaalsContact C-N 3.3Å; K273-L275 PolarHBondContact O-N 2.98Å; L275-L277 HydrophobicContact CB-CD1 3.99Å; L275-L277 HydrophobicContact CB-CG 4.07Å; L275-L277 HydrophobicContact CD1-CD1 3.94Å; L275-L277 PolarHBondContact O-N 3.05Å; L275-K282 WeakPolarHBondContact O-CE 3.04Å; L275-K282 PolarHBondContact O-NZ 3.16Å; L275-L285 HydrophobicContact CD1-CD1 4.1Å
276P94.4Very high92.9Very high130 Ų13063.5 Ų63.584%0.84433%0.329SS*.SBendtrans-78.457.117734.6-36.9000111.4
277L94.2Very high92.9Very high68 Ų6857.1 Ų57.136%0.35631%0.306SS..SBendtrans-119.9153.9-177.8-63174.3000111.1L275 V281 K282 L285L275-L277 HydrophobicContact CB-CD1 3.99Å; L275-L277 HydrophobicContact CB-CG 4.07Å; L275-L277 HydrophobicContact CD1-CD1 3.94Å; L275-L277 PolarHBondContact O-N 3.05Å; L277-V281 HydrophobicContact CB-CB 4.42Å; L277-V281 HydrophobicContact CB-CG1 4.44Å; L277-V281 HydrophobicContact CD1-CG1 4.1Å; L277-K282 HydrophobicContact CB-CG 4.3Å; L277-K282 WeakPolarHBondContact O-CE 3.29Å; L277-L285 HydrophobicContact CD1-CD1 3.77Å
278P95.4Very high92.6Very high80 Ų8060.7 Ų60.752%0.51932%0.317SS..  trans-61.1151.7170.8-20.832.6000112.4S280 V281 K282P278-S280 VanDerWaalsContact C-N 3.29Å; P278-S280 PolarHBondContact O-N 3.44Å; P278-V281 HydrophobicContact CB-CG2 4.42Å; P278-V281 HydrophobicContact CG-CG2 4.39Å; P278-V281 WeakPolarHBondContact O-CB 3.05Å; P278-V281 PolarHBondContact O-N 3.06Å; P278-K282 PolarHBondContact O-N 3.45Å; P278-K282 VanDerWaalsContact O-N 3.08Å
279E92.9Very high92Very high115 Ų11565.9 Ų65.954%0.53735%0.346SS..Hα-helixtrans-59.2-38.3-176.7-156.459.8-151.300112.9V281 K282 E283E279-V281 PolarHBondContact O-N 3.35Å; E279-K282 WeakPolarHBondContact O-CA 3.45Å; E279-K282 WeakPolarHBondContact O-CB 3.42Å; E279-K282 PolarHBondContact O-N 3.33Å; E279-E283 PolarHBondContact O-N 3.43Å
280S93.8Very high91.9Very high84 Ų8468.3 Ų68.359%0.58736%0.357SS*.Hα-helixtrans-62.5-28176.158.90000113.8P278 Y284P278-S280 VanDerWaalsContact C-N 3.29Å; P278-S280 PolarHBondContact O-N 3.44Å; S280-Y284 WeakPolarHBondContact O-CB 3.22Å; S280-Y284 PolarHBondContact O-N 3.31Å
281V93Very high91.9Very high43 Ų4367.8 Ų67.826%0.26135%0.351SS..Hα-helixtrans-81.2-34.7174.1-178.40000110.2L277 P278 E279 Y284 L285L277-V281 HydrophobicContact CB-CB 4.42Å; L277-V281 HydrophobicContact CB-CG1 4.44Å; L277-V281 HydrophobicContact CD1-CG1 4.1Å; P278-V281 HydrophobicContact CB-CG2 4.42Å; P278-V281 HydrophobicContact CG-CG2 4.39Å; P278-V281 WeakPolarHBondContact O-CB 3.05Å; P278-V281 PolarHBondContact O-N 3.06Å; E279-V281 PolarHBondContact O-N 3.35Å; V281-Y284 WeakPolarHBondContact O-CB 3.43Å; V281-Y284 PolarHBondContact O-N 2.95Å; V281-L285 WeakPolarHBondContact O-CG 3.47Å; V281-L285 PolarHBondContact O-N 3.03Å
282K93.6Very high91.9Very high27 Ų2771.1 Ų71.112%0.11737%0.366CS..Hα-helixtrans-62.7-50.3174.7-68.9179.7176176.60111.4V272 K273 L275 L277 P278 E279 Y284 L285 L286V272-K282 HydrophobicContact CG1-CB 3.7Å; V272-K282 HydrophobicContact CG1-CG 3.8Å; V272-K282 WeakPolarHBondContact O-CE 3.48Å; K273-K282 PolarHBondContact O-NZ 3.16Å; L275-K282 WeakPolarHBondContact O-CE 3.04Å; L275-K282 PolarHBondContact O-NZ 3.16Å; L277-K282 HydrophobicContact CB-CG 4.3Å; L277-K282 WeakPolarHBondContact O-CE 3.29Å; P278-K282 PolarHBondContact O-N 3.45Å; P278-K282 VanDerWaalsContact O-N 3.08Å; E279-K282 WeakPolarHBondContact O-CA 3.45Å; E279-K282 WeakPolarHBondContact O-CB 3.42Å; E279-K282 PolarHBondContact O-N 3.33Å; K282-Y284 VanDerWaalsContact C-N 3.26Å; K282-Y284 PolarHBondContact O-N 3.02Å; K282-L285 WeakPolarHBondContact O-CB 3.3Å; K282-L285 PolarHBondContact O-N 3.04Å; K282-L286 WeakPolarHBondContact O-CG 3.42Å; K282-L286 PolarHBondContact O-N 3.47Å
283E92.9Very high91.8Very high60 Ų6075.1 Ų75.128%0.2839%0.387SS..Hα-helixtrans-59.2-39175.8-67.8-56.8140.300111.8E279 L285 L286 L287 R288E279-E283 PolarHBondContact O-N 3.43Å; E283-L285 PolarHBondContact O-N 3.15Å; E283-L286 CarbonylContact O-C 3.49Å; E283-L286 PolarHBondContact O-N 3.5Å; E283-L286 VanDerWaalsContact O-N 3.12Å; E283-L287 PolarHBondContact O-N 3.27Å; E283-L287 VanDerWaalsContact O-N 3.14Å; E283-R288 HydrophobicContact CB-CB 4.43Å; E283-R288 PolarHBondContact O-N 2.93Å; E283-R288 WeakPolarHBondContact OE2-CB 3.35Å; E283-R288 WeakPolarHBondContact OE2-CD 3.48Å
284Y92.1Very high91.8Very high21 Ų2169.7 Ų69.78%0.08237%0.367CS..Hα-helixtrans-62.1-40173.9-176.7-104.9000113.4R252 A253 R256 S280 V281 K282 L286 L287 D289R252-Y284 HydrophobicContact CG-CD1 4.41Å; R252-Y284 HydrophobicContact CG-CE1 3.58Å; A253-Y284 WeakPolarHBondContact CA-OH 3.31Å; A253-Y284 PolarHBondContact N-OH 3.4Å; R256-Y284 HydrophobicContact CB-CD1 4.26Å; R256-Y284 HydrophobicContact CB-CE1 3.63Å; R256-Y284 WeakPolarHBondContact CD-O 3.47Å; R256-Y284 HydrophobicContact CG-CE1 4.24Å; S280-Y284 WeakPolarHBondContact O-CB 3.22Å; S280-Y284 PolarHBondContact O-N 3.31Å; V281-Y284 WeakPolarHBondContact O-CB 3.43Å; V281-Y284 PolarHBondContact O-N 2.95Å; K282-Y284 VanDerWaalsContact C-N 3.26Å; K282-Y284 PolarHBondContact O-N 3.02Å; Y284-L286 VanDerWaalsContact C-N 3.27Å; Y284-L286 PolarHBondContact O-N 3.08Å; Y284-L287 PolarHBondContact O-N 3.32Å; Y284-D289 HydrophobicContact CD2-CB 3.87Å; Y284-D289 WeakPolarHBondContact CD2-OD2 3.47Å; Y284-D289 WeakPolarHBondContact CE2-OD2 3.33Å
285L92.3Very high91.7Very high7 Ų763.3 Ų63.34%0.03734%0.34CS..Hα-helixtrans-68-29.2174.6-70.2174.3000112.3R256 V259 R260 V272 L275 L277 V281 K282 E283 L287R256-L285 HydrophobicContact CB-CD2 4.35Å; R256-L285 HydrophobicContact CG-CD2 4.26Å; V259-L285 HydrophobicContact CB-CD2 3.85Å; V259-L285 HydrophobicContact CG1-CD1 3.94Å; V259-L285 HydrophobicContact CG1-CD2 3.76Å; V259-L285 HydrophobicContact CG1-CG 4.49Å; V259-L285 HydrophobicContact CG2-CD2 4.44Å; R260-L285 WeakPolarHBondContact CD-O 3.44Å; R260-L285 PolarHBondContact NH1-O 3.4Å; V272-L285 HydrophobicContact CG1-CB 4.23Å; V272-L285 HydrophobicContact CG1-CD1 4.27Å; V272-L285 HydrophobicContact CG2-CB 4.28Å; L275-L285 HydrophobicContact CD1-CD1 4.1Å; L277-L285 HydrophobicContact CD1-CD1 3.77Å; V281-L285 WeakPolarHBondContact O-CG 3.47Å; V281-L285 PolarHBondContact O-N 3.03Å; K282-L285 WeakPolarHBondContact O-CB 3.3Å; K282-L285 PolarHBondContact O-N 3.04Å; E283-L285 PolarHBondContact O-N 3.15Å; L285-L287 VanDerWaalsContact C-N 3.32Å
286L92.3Very high91.7Very high17 Ų1764.6 Ų64.69%0.08935%0.347CS..THydrogen-bonded Turntrans-85.20.7177.8-63.6179.1000114.2L268 P269 V272 K282 E283 Y284 R288L268-L286 HydrophobicContact CB-CD2 4.29Å; P269-L286 HydrophobicContact CB-CD1 4.48Å; P269-L286 HydrophobicContact CB-CD2 4.34Å; P269-L286 HydrophobicContact CG-CD2 4.07Å; V272-L286 HydrophobicContact CB-CD2 4.01Å; V272-L286 HydrophobicContact CB-CG 4.35Å; V272-L286 HydrophobicContact CG1-CD1 4.49Å; V272-L286 HydrophobicContact CG1-CD2 4.35Å; V272-L286 HydrophobicContact CG1-CG 4.17Å; V272-L286 HydrophobicContact CG2-CD2 3.86Å; V272-L286 HydrophobicContact CG2-CG 4.49Å; K282-L286 WeakPolarHBondContact O-CG 3.42Å; K282-L286 PolarHBondContact O-N 3.47Å; E283-L286 CarbonylContact O-C 3.49Å; E283-L286 PolarHBondContact O-N 3.5Å; E283-L286 VanDerWaalsContact O-N 3.12Å; Y284-L286 VanDerWaalsContact C-N 3.27Å; Y284-L286 PolarHBondContact O-N 3.08Å; L286-R288 VanDerWaalsContact C-N 3.29Å; L286-R288 HydrophobicContact CB-CG 4.12Å
287L91.8Very high91.5Very high13 Ų1359.5 Ų59.57%0.06831%0.309CS..THydrogen-bonded Turntrans64.731.5-179.1-47.1169.1000113.2L171 L210 K213 A214 E283 Y284 L285L171-L287 HydrophobicContact CD1-CD1 4.13Å; L210-L287 HydrophobicContact CD1-CB 3.93Å; L210-L287 HydrophobicContact CD1-CD1 3.96Å; K213-L287 HydrophobicContact CB-CD2 3.91Å; A214-L287 HydrophobicContact CB-CD1 3.8Å; E283-L287 PolarHBondContact O-N 3.27Å; E283-L287 VanDerWaalsContact O-N 3.14Å; Y284-L287 PolarHBondContact O-N 3.32Å; L285-L287 VanDerWaalsContact C-N 3.32Å
288R87.3Confident91.3Very high127 Ų12758.8 Ų58.848%0.47931%0.305SS..  trans-109.216.5-178.4-64.4172.6-178-173.5-1.1112.5E172 E283 L286E172-R288 IonicContact OE1-CZ 3.01Å; E172-R288 IonicContact OE1-NE 3.85Å; E172-R288 IonicContact OE1-NH2 3.89Å; E172-R288 PolarHBondContact OE1-NH2 3.27Å; E283-R288 HydrophobicContact CB-CB 4.43Å; E283-R288 PolarHBondContact O-N 2.93Å; E283-R288 WeakPolarHBondContact OE2-CB 3.35Å; E283-R288 WeakPolarHBondContact OE2-CD 3.48Å; L286-R288 VanDerWaalsContact C-N 3.29Å; L286-R288 HydrophobicContact CB-CG 4.12Å
289D77.8Confident90.9Very high112 Ų11256.9 Ų56.960%0.59929%0.285SS*.  trans-84.90-178.865.6-48.1000114.3K213 R256 Y284K213-D289 PolarHBondContact NZ-O 2.97Å; K213-D289 IonicContact NZ-OD1 3.13Å; K213-D289 PolarHBondContact NZ-OD1 3.04Å; R256-D289 IonicContact NH1-OD1 3.66Å; R256-D289 IonicContact NH1-OD2 2.63Å; Y284-D289 HydrophobicContact CD2-CB 3.87Å; Y284-D289 WeakPolarHBondContact CD2-OD2 3.47Å; Y284-D289 WeakPolarHBondContact CE2-OD2 3.33Å

Retrieved 289 of 289 residues in 56.4 ms (Link to these results)

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