A0A093H302_STRCA Loading...

Calcium homeostasis modulator protein 2

AlphaFold DB , UniProt , Accession A0A093H302, Species STRCA (Struthio camelus australis), Gene n/a, Length 306 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
1M48.9Very low55.7Low206 Ų206123 Ų123100%1.01565%0.645SS**  0-37.80-86.4-171.1-88.800113.9I5M1-I5 WeakPolarHBondContact O-CG1 3.49Å
2A52.3Low55.9Low82 Ų82120.3 Ų120.368%0.67863%0.631SS**Hα-helixtrans-68-32.117900000115.1A6A2-A6 WeakPolarHBondContact O-CB 3.24Å; A2-A6 PolarHBondContact O-N 3.25Å; A2-A6 VanDerWaalsContact O-N 3.15Å
3A53.5Low55.9Low74 Ų74115.8 Ų115.861%0.61262%0.615SS**Hα-helixtrans-70.3-38-179.600000113.7A6 E7A3-A6 PolarHBondContact O-N 3.07Å; A3-E7 PolarHBondContact O-N 3.44Å
4L52.2Low55.9Low119 Ų119115.1 Ų115.162%0.62361%0.611SS**Hα-helixtrans-69.1-34.9178.3-110.8152.7000112.4N8L4-N8 WeakPolarHBondContact O-CB 3.35Å; L4-N8 PolarHBondContact O-N 3.28Å
5I55.8Low55.8Low110 Ų110114.1 Ų114.156%0.56460%0.6SS**Hα-helixtrans-71.8-40.4176.3-63.7169.2000110.1M1 N8 F9M1-I5 WeakPolarHBondContact O-CG1 3.49Å; I5-N8 PolarHBondContact O-N 3.06Å; I5-F9 WeakPolarHBondContact O-CB 3.32Å; I5-F9 PolarHBondContact O-N 2.94Å
6A58.8Low55.7Low60 Ų60114.9 Ų114.950%0.49660%0.597SS.*Hα-helixtrans-65.9-37.9176.600000112.6A2 A3 R10A2-A6 WeakPolarHBondContact O-CB 3.24Å; A2-A6 PolarHBondContact O-N 3.25Å; A2-A6 VanDerWaalsContact O-N 3.15Å; A3-A6 PolarHBondContact O-N 3.07Å; A6-R10 WeakPolarHBondContact O-CB 3.25Å; A6-R10 PolarHBondContact O-N 3.07Å
7E58.3Low55.5Low138 Ų138118.9 Ų118.965%0.64561%0.609SS**Hα-helixtrans-69.3-42.4174.1-76.1-167.2164.300112.5A3 F9 R10 F11A3-E7 PolarHBondContact O-N 3.44Å; E7-F9 VanDerWaalsContact C-N 3.34Å; E7-F9 PolarHBondContact O-N 2.76Å; E7-R10 PolarHBondContact O-N 3.42Å; E7-F11 WeakPolarHBondContact O-CB 3.37Å; E7-F11 PolarHBondContact O-N 3.41Å
8N53.1Low55.6Low101 Ų101114.7 Ų114.754%0.5459%0.591SS.*Hα-helixtrans-63.4-38.3174.2-86.37.5000112.3L4 I5 F11 L12L4-N8 WeakPolarHBondContact O-CB 3.35Å; L4-N8 PolarHBondContact O-N 3.28Å; I5-N8 PolarHBondContact O-N 3.06Å; N8-F11 PolarHBondContact O-N 3.01Å; N8-L12 WeakPolarHBondContact O-CB 3.21Å; N8-L12 WeakPolarHBondContact O-CD1 3.26Å; N8-L12 PolarHBondContact O-N 3.34Å
9F64.6Low55.8Low150 Ų150117.3 Ų117.366%0.65860%0.598SS**Hα-helixtrans-69.7-35.7174.6-120.6-88.7000112.1I5 E7 S13I5-F9 WeakPolarHBondContact O-CB 3.32Å; I5-F9 PolarHBondContact O-N 2.94Å; E7-F9 VanDerWaalsContact C-N 3.34Å; E7-F9 PolarHBondContact O-N 2.76Å; F9-S13 VanDerWaalsContact O-CB 3.23Å; F9-S13 WeakPolarHBondContact O-CB 3.24Å; F9-S13 PolarHBondContact O-N 3.08Å; F9-S13 PolarHBondContact O-OG 3.49Å
10R57.9Low56Low181 Ų181117.9 Ų117.968%0.68360%0.602SS**Hα-helixtrans-68.1-38.9174.9-168.5173.7178.9164.4-1111A6 E7 S13 L14A6-R10 WeakPolarHBondContact O-CB 3.25Å; A6-R10 PolarHBondContact O-N 3.07Å; E7-R10 PolarHBondContact O-N 3.42Å; R10-S13 WeakPolarHBondContact CA-OG 3.47Å; R10-S13 PolarHBondContact O-N 2.91Å; R10-S13 PolarHBondContact O-OG 3.17Å; R10-L14 HydrophobicContact CG-CD1 4.44Å; R10-L14 WeakPolarHBondContact O-CB 3.16Å; R10-L14 WeakPolarHBondContact O-CG 3.43Å; R10-L14 PolarHBondContact O-N 3.2Å
11F57.7Low56.2Low132 Ų132115 Ų11558%0.57959%0.59SS**Hα-helixtrans-67.8-45.4174.5-149.8-97000111.5E7 N8 S13 L14 F15E7-F11 WeakPolarHBondContact O-CB 3.37Å; E7-F11 PolarHBondContact O-N 3.41Å; N8-F11 PolarHBondContact O-N 3.01Å; F11-S13 VanDerWaalsContact C-N 3.33Å; F11-S13 PolarHBondContact O-N 2.91Å; F11-L14 WeakPolarHBondContact O-CB 3.14Å; F11-L14 PolarHBondContact O-N 2.99Å; F11-F15 AromaticContact CD1-CD2 3.86Å; F11-F15 HydrophobicContact CD1-CD2 3.86Å; F11-F15 AromaticContact CD1-CE2 3.76Å; F11-F15 HydrophobicContact CD1-CE2 3.76Å; F11-F15 AromaticContact CE1-CD2 3.95Å; F11-F15 HydrophobicContact CE1-CD2 3.95Å; F11-F15 AromaticContact CE1-CE2 3.34Å; F11-F15 HydrophobicContact CE1-CE2 3.34Å; F11-F15 HydrophobicContact CE1-CZ 4.33Å; F11-F15 HydrophobicContact CZ-CE2 4.09Å; F11-F15 WeakPolarHBondContact O-CD2 3.35Å; F11-F15 PolarHBondContact O-N 3.31Å
12L58.2Low56.8Low91 Ų91109.6 Ų109.648%0.47656%0.564SS.*Hα-helixtrans-57.3-47169.9-107.587.6000110.7N8 L14 F15 F16N8-L12 WeakPolarHBondContact O-CB 3.21Å; N8-L12 WeakPolarHBondContact O-CD1 3.26Å; N8-L12 PolarHBondContact O-N 3.34Å; L12-L14 VanDerWaalsContact C-N 3.28Å; L12-L14 PolarHBondContact O-N 3.38Å; L12-F15 CarbonylContact O-C 3.57Å; L12-F15 WeakPolarHBondContact O-CA 3.36Å; L12-F15 WeakPolarHBondContact O-CB 3.28Å; L12-F15 PolarHBondContact O-N 3.24Å; L12-F15 VanDerWaalsContact O-N 3.08Å; L12-F16 HydrophobicContact CB-CD2 4.33Å; L12-F16 HydrophobicContact CB-CE2 4.45Å; L12-F16 HydrophobicContact CD2-CD2 4.46Å; L12-F16 HydrophobicContact CD2-CE2 3.85Å; L12-F16 HydrophobicContact CG-CD2 4.47Å; L12-F16 HydrophobicContact CG-CE2 4.1Å; L12-F16 WeakPolarHBondContact O-CD2 3.34Å; L12-F16 PolarHBondContact O-N 2.97Å
13S55.3Low57.7Low61 Ų61110.2 Ų110.243%0.42755%0.554SS.*Hα-helixtrans-63.9-33-18080.20000112.4F9 R10 F11 F16 K17F9-S13 VanDerWaalsContact O-CB 3.23Å; F9-S13 WeakPolarHBondContact O-CB 3.24Å; F9-S13 PolarHBondContact O-N 3.08Å; F9-S13 PolarHBondContact O-OG 3.49Å; R10-S13 WeakPolarHBondContact CA-OG 3.47Å; R10-S13 PolarHBondContact O-N 2.91Å; R10-S13 PolarHBondContact O-OG 3.17Å; F11-S13 VanDerWaalsContact C-N 3.33Å; F11-S13 PolarHBondContact O-N 2.91Å; S13-F16 PolarHBondContact O-N 2.81Å; S13-K17 VanDerWaalsContact O-CB 3.25Å; S13-K17 WeakPolarHBondContact O-CB 3.42Å; S13-K17 PolarHBondContact O-N 3.12Å
14L56.5Low58.6Low106 Ų106113 Ų11356%0.55555%0.553SS**Hα-helixtrans-68.6-37.2173.1-85.4157.6000111.6R10 F11 L12R10-L14 HydrophobicContact CG-CD1 4.44Å; R10-L14 WeakPolarHBondContact O-CB 3.16Å; R10-L14 WeakPolarHBondContact O-CG 3.43Å; R10-L14 PolarHBondContact O-N 3.2Å; F11-L14 WeakPolarHBondContact O-CB 3.14Å; F11-L14 PolarHBondContact O-N 2.99Å; L12-L14 VanDerWaalsContact C-N 3.28Å; L12-L14 PolarHBondContact O-N 3.38Å
15F53.8Low59.5Low101 Ų101110.7 Ų110.744%0.44354%0.541SS..Hα-helixtrans-68.1-36.4171.9-94.6-94.1000113F11 L12 V21F11-F15 AromaticContact CD1-CD2 3.86Å; F11-F15 HydrophobicContact CD1-CD2 3.86Å; F11-F15 AromaticContact CD1-CE2 3.76Å; F11-F15 HydrophobicContact CD1-CE2 3.76Å; F11-F15 AromaticContact CE1-CD2 3.95Å; F11-F15 HydrophobicContact CE1-CD2 3.95Å; F11-F15 AromaticContact CE1-CE2 3.34Å; F11-F15 HydrophobicContact CE1-CE2 3.34Å; F11-F15 HydrophobicContact CE1-CZ 4.33Å; F11-F15 HydrophobicContact CZ-CE2 4.09Å; F11-F15 WeakPolarHBondContact O-CD2 3.35Å; F11-F15 PolarHBondContact O-N 3.31Å; L12-F15 CarbonylContact O-C 3.57Å; L12-F15 WeakPolarHBondContact O-CA 3.36Å; L12-F15 WeakPolarHBondContact O-CB 3.28Å; L12-F15 PolarHBondContact O-N 3.24Å; L12-F15 VanDerWaalsContact O-N 3.08Å; F15-V21 HydrophobicContact CD1-CG1 4.44Å
16F54.8Low60.5Low127 Ų127107 Ų10756%0.55753%0.53SS*.Hα-helixtrans-84.4-13.3179.1-77.2-70.2000114.2L12 S13 S18 M22L12-F16 HydrophobicContact CB-CD2 4.33Å; L12-F16 HydrophobicContact CB-CE2 4.45Å; L12-F16 HydrophobicContact CD2-CD2 4.46Å; L12-F16 HydrophobicContact CD2-CE2 3.85Å; L12-F16 HydrophobicContact CG-CD2 4.47Å; L12-F16 HydrophobicContact CG-CE2 4.1Å; L12-F16 WeakPolarHBondContact O-CD2 3.34Å; L12-F16 PolarHBondContact O-N 2.97Å; S13-F16 PolarHBondContact O-N 2.81Å; F16-S18 VanDerWaalsContact C-N 3.32Å; F16-S18 PolarHBondContact O-N 2.86Å; F16-M22 HydrophobicContact CD1-CG 4.46Å; F16-M22 HydrophobicContact CD1-SD 3.7Å; F16-M22 HydrophobicContact CE1-CG 4.39Å; F16-M22 HydrophobicContact CE1-SD 3.77Å
17K52.1Low61.2Low183 Ų183109.4 Ų109.480%0.79653%0.534SS*.SBendtrans-75.6-18.4-177.5-160.1170.8-176.4178.20113.7S13S13-K17 VanDerWaalsContact O-CB 3.25Å; S13-K17 WeakPolarHBondContact O-CB 3.42Å; S13-K17 PolarHBondContact O-N 3.12Å
18S56.9Low62.2Low42 Ų42106.1 Ų106.129%0.29452%0.523SS..  trans-108.9106.6173.256.50000109.6F16 D20 V21 M22F16-S18 VanDerWaalsContact C-N 3.32Å; F16-S18 PolarHBondContact O-N 2.86Å; S18-D20 PolarHBondContact O-N 3.32Å; S18-D20 VanDerWaalsContact O-N 3.11Å; S18-V21 PolarHBondContact O-N 2.84Å; S18-V21 VanDerWaalsContact O-N 3.12Å; S18-V21 VanDerWaalsContact OG-CB 3.23Å; S18-V21 WeakPolarHBondContact OG-CB 3.49Å; S18-V21 WeakPolarHBondContact OG-CG2 3.41Å; S18-M22 PolarHBondContact O-N 2.95Å
19K58.7Low63.2Low165 Ų165103.9 Ų103.972%0.71752%0.519SS*.Hα-helixtrans-51-34.4174.6-75.9176.6174.9170.60111.1I23K19-I23 HydrophobicContact CB-CD1 4.49Å; K19-I23 WeakPolarHBondContact O-CB 3.3Å; K19-I23 VanDerWaalsContact O-CD1 3.3Å; K19-I23 WeakPolarHBondContact O-CD1 3.48Å; K19-I23 WeakPolarHBondContact O-CG1 3.32Å; K19-I23 PolarHBondContact O-N 2.88Å
20D60.2Low63.6Low128 Ų128102.8 Ų102.868%0.68452%0.519SS*.Hα-helixtrans-69.3-36.5-178.8-54.8-42000113.7S18 F24S18-D20 PolarHBondContact O-N 3.32Å; S18-D20 VanDerWaalsContact O-N 3.11Å; D20-F24 WeakPolarHBondContact O-CB 3.46Å; D20-F24 PolarHBondContact O-N 3.46Å
21V60.7Low64.3Low58 Ų5896.1 Ų96.135%0.35251%0.506SS..Hα-helixtrans-76.9-36.1179.6177.90000111.2F15 S18 F24 N25F15-V21 HydrophobicContact CD1-CG1 4.44Å; S18-V21 PolarHBondContact O-N 2.84Å; S18-V21 VanDerWaalsContact O-N 3.12Å; S18-V21 VanDerWaalsContact OG-CB 3.23Å; S18-V21 WeakPolarHBondContact OG-CB 3.49Å; S18-V21 WeakPolarHBondContact OG-CG2 3.41Å; V21-F24 PolarHBondContact O-N 3.49Å; V21-N25 VanDerWaalsContact O-CB 3.26Å; V21-N25 WeakPolarHBondContact O-CB 3.32Å; V21-N25 PolarHBondContact O-N 3.32Å; V21-N25 PolarHBondContact O-ND2 3.19Å
22M62.1Low65Low93 Ų9393.5 Ų93.546%0.45850%0.501SS..Hα-helixtrans-67.5-43.1173.2-177.4-172.968.600111.6F16 S18 F24 G26F16-M22 HydrophobicContact CD1-CG 4.46Å; F16-M22 HydrophobicContact CD1-SD 3.7Å; F16-M22 HydrophobicContact CE1-CG 4.39Å; F16-M22 HydrophobicContact CE1-SD 3.77Å; S18-M22 PolarHBondContact O-N 2.95Å; M22-F24 VanDerWaalsContact C-N 3.34Å; M22-G26 PolarHBondContact O-N 2.88Å
23I71.1Confident65.6Low94 Ų9493.4 Ų93.448%0.48250%0.504SS..Hα-helixtrans-63.1-43.9174.8-69.6165.5000109.9K19 G26 L27K19-I23 HydrophobicContact CB-CD1 4.49Å; K19-I23 WeakPolarHBondContact O-CB 3.3Å; K19-I23 VanDerWaalsContact O-CD1 3.3Å; K19-I23 WeakPolarHBondContact O-CD1 3.48Å; K19-I23 WeakPolarHBondContact O-CG1 3.32Å; K19-I23 PolarHBondContact O-N 2.88Å; I23-G26 PolarHBondContact O-N 3.01Å; I23-L27 HydrophobicContact CG2-CD1 3.81Å; I23-L27 HydrophobicContact CG2-CG 4.34Å; I23-L27 VanDerWaalsContact O-CB 3.31Å; I23-L27 WeakPolarHBondContact O-CB 3.48Å; I23-L27 VanDerWaalsContact O-CG 3.23Å; I23-L27 WeakPolarHBondContact O-CG 3.46Å; I23-L27 PolarHBondContact O-N 2.63Å
24F71.1Confident66.1Low133 Ų13392 Ų9258%0.58350%0.5SS*.Hα-helixtrans-64.1-49.2178.2-175.4-99.1000112.3D20 V21 M22 G26 L27 V28D20-F24 WeakPolarHBondContact O-CB 3.46Å; D20-F24 PolarHBondContact O-N 3.46Å; V21-F24 PolarHBondContact O-N 3.49Å; M22-F24 VanDerWaalsContact C-N 3.34Å; F24-G26 VanDerWaalsContact C-N 3.31Å; F24-G26 PolarHBondContact O-N 2.62Å; F24-L27 PolarHBondContact O-N 3.03Å; F24-V28 HydrophobicContact CD1-CG2 4.21Å; F24-V28 HydrophobicContact CE1-CG2 3.89Å; F24-V28 HydrophobicContact CE2-CG2 4.49Å; F24-V28 HydrophobicContact CZ-CG2 4.04Å; F24-V28 VanDerWaalsContact O-CG2 3.29Å; F24-V28 WeakPolarHBondContact O-CG2 3.38Å; F24-V28 PolarHBondContact O-N 3.41Å
25N72.5Confident66.7Low71 Ų7189.1 Ų89.138%0.3849%0.488SS..Hα-helixtrans-65.4-35.4178.2-69.6-15.8000111.9V21 V28 A29V21-N25 VanDerWaalsContact O-CB 3.26Å; V21-N25 WeakPolarHBondContact O-CB 3.32Å; V21-N25 PolarHBondContact O-N 3.32Å; V21-N25 PolarHBondContact O-ND2 3.19Å; N25-V28 PolarHBondContact O-N 3.46Å; N25-A29 WeakPolarHBondContact O-CB 3.46Å; N25-A29 PolarHBondContact O-N 3.27Å
26G75.4Confident67Low31 Ų3190.5 Ų90.532%0.3250%0.496SS..Hα-helixtrans-65.8-43172.500000112.7M22 I23 F24 A29 L30M22-G26 PolarHBondContact O-N 2.88Å; I23-G26 PolarHBondContact O-N 3.01Å; F24-G26 VanDerWaalsContact C-N 3.31Å; F24-G26 PolarHBondContact O-N 2.62Å; G26-A29 PolarHBondContact O-N 3Å; G26-L30 WeakPolarHBondContact O-CB 3.49Å; G26-L30 VanDerWaalsContact O-CG 3.31Å; G26-L30 WeakPolarHBondContact O-CG 3.47Å; G26-L30 PolarHBondContact O-N 3.22Å
27L74.2Confident67.4Low111 Ų11190.2 Ų90.258%0.58150%0.496SS*.Hα-helixtrans-64.3-39.4174.1-77.9169.3000112I23 F24 G31I23-L27 HydrophobicContact CG2-CD1 3.81Å; I23-L27 HydrophobicContact CG2-CG 4.34Å; I23-L27 VanDerWaalsContact O-CB 3.31Å; I23-L27 WeakPolarHBondContact O-CB 3.48Å; I23-L27 VanDerWaalsContact O-CG 3.23Å; I23-L27 WeakPolarHBondContact O-CG 3.46Å; I23-L27 PolarHBondContact O-N 2.63Å; F24-L27 PolarHBondContact O-N 3.03Å; L27-G31 WeakPolarHBondContact O-CA 3.41Å; L27-G31 PolarHBondContact O-N 3.05Å
28V79.1Confident67.8Low69 Ų6987 Ų8742%0.41849%0.487SS..Hα-helixtrans-65.6-45.3174.4171.60000110.2F24 N25 G31 T32F24-V28 HydrophobicContact CD1-CG2 4.21Å; F24-V28 HydrophobicContact CE1-CG2 3.89Å; F24-V28 HydrophobicContact CE2-CG2 4.49Å; F24-V28 HydrophobicContact CZ-CG2 4.04Å; F24-V28 VanDerWaalsContact O-CG2 3.29Å; F24-V28 WeakPolarHBondContact O-CG2 3.38Å; F24-V28 PolarHBondContact O-N 3.41Å; N25-V28 PolarHBondContact O-N 3.46Å; V28-G31 PolarHBondContact O-N 2.92Å; V28-T32 WeakPolarHBondContact O-CB 3.26Å; V28-T32 PolarHBondContact O-N 3.37Å; V28-T32 PolarHBondContact O-OG1 3.12Å
29A75.3Confident68Low54 Ų5491 Ų9145%0.44650%0.5SS..Hα-helixtrans-63.8-46.9178.400000112.5N25 G26 G31 T32 V33N25-A29 WeakPolarHBondContact O-CB 3.46Å; N25-A29 PolarHBondContact O-N 3.27Å; G26-A29 PolarHBondContact O-N 3Å; A29-G31 VanDerWaalsContact C-N 3.3Å; A29-G31 PolarHBondContact O-N 2.71Å; A29-T32 PolarHBondContact O-N 2.92Å; A29-V33 WeakPolarHBondContact O-CG2 3.47Å; A29-V33 PolarHBondContact O-N 2.91Å
30L72Confident67.8Low128 Ų12887 Ų8767%0.6749%0.493SS*.Hα-helixtrans-63.4-38.1174-73170.9000111.7G26 G34G26-L30 WeakPolarHBondContact O-CB 3.49Å; G26-L30 VanDerWaalsContact O-CG 3.31Å; G26-L30 WeakPolarHBondContact O-CG 3.47Å; G26-L30 PolarHBondContact O-N 3.22Å; L30-G34 WeakPolarHBondContact O-CA 3.28Å; L30-G34 PolarHBondContact O-N 3.35Å
31G71.9Confident67.8Low40 Ų4086.9 Ų86.941%0.41250%0.496SS..Hα-helixtrans-62.6-43.6174.700000111.7L27 V28 A29 S35L27-G31 WeakPolarHBondContact O-CA 3.41Å; L27-G31 PolarHBondContact O-N 3.05Å; V28-G31 PolarHBondContact O-N 2.92Å; A29-G31 VanDerWaalsContact C-N 3.3Å; A29-G31 PolarHBondContact O-N 2.71Å; G31-S35 WeakPolarHBondContact O-CA 3.5Å; G31-S35 WeakPolarHBondContact O-CB 3.5Å; G31-S35 PolarHBondContact O-N 2.93Å; G31-S35 PolarHBondContact O-OG 2.76Å; G31-S35 VanDerWaalsContact O-OG 3.07Å
32T73.7Confident68Low78 Ų7888.7 Ų88.748%0.47951%0.507SS..Hα-helixtrans-64.6-53.9177.7-58.30000111.1V28 A29 G34 S35 E36V28-T32 WeakPolarHBondContact O-CB 3.26Å; V28-T32 PolarHBondContact O-N 3.37Å; V28-T32 PolarHBondContact O-OG1 3.12Å; A29-T32 PolarHBondContact O-N 2.92Å; T32-G34 PolarHBondContact O-N 3.24Å; T32-S35 WeakPolarHBondContact CA-OG 3.36Å; T32-S35 PolarHBondContact O-N 2.91Å; T32-S35 PolarHBondContact O-OG 3.1Å; T32-E36 PolarHBondContact O-N 3.44Å
33V70.3Confident68.5Low88 Ų8885.9 Ų85.953%0.53350%0.498SS..Hα-helixtrans-62.7-45.9179.9176.20000110.9A29 S35 E36 E37A29-V33 WeakPolarHBondContact O-CG2 3.47Å; A29-V33 PolarHBondContact O-N 2.91Å; V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 3.43Å; V33-E36 PolarHBondContact O-N 2.86Å; V33-E37 WeakPolarHBondContact O-CG 3.14Å; V33-E37 PolarHBondContact O-N 3.42Å
34G65.8Low69Low32 Ų3283.7 Ų83.733%0.3349%0.486SS..Hα-helixtrans-61.8-38176.600000112.1L30 T32 L38L30-G34 WeakPolarHBondContact O-CA 3.28Å; L30-G34 PolarHBondContact O-N 3.35Å; T32-G34 PolarHBondContact O-N 3.24Å; G34-L38 VanDerWaalsContact O-CB 3.22Å; G34-L38 WeakPolarHBondContact O-CB 2.92Å; G34-L38 WeakPolarHBondContact O-CD1 3.21Å; G34-L38 WeakPolarHBondContact O-CG 3.37Å; G34-L38 PolarHBondContact O-N 3.24Å
35S69.2Low69.9Low45 Ų4583.6 Ų83.632%0.31549%0.487SS..Hα-helixtrans-68.6-40.4175.973.20000112.3G31 T32 V33 L38 F39G31-S35 WeakPolarHBondContact O-CA 3.5Å; G31-S35 WeakPolarHBondContact O-CB 3.5Å; G31-S35 PolarHBondContact O-N 2.93Å; G31-S35 PolarHBondContact O-OG 2.76Å; G31-S35 VanDerWaalsContact O-OG 3.07Å; T32-S35 WeakPolarHBondContact CA-OG 3.36Å; T32-S35 PolarHBondContact O-N 2.91Å; T32-S35 PolarHBondContact O-OG 3.1Å; V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 3.43Å; S35-L38 PolarHBondContact O-N 3.02Å; S35-F39 VanDerWaalsContact O-CB 3.3Å; S35-F39 WeakPolarHBondContact O-CB 3.48Å; S35-F39 WeakPolarHBondContact O-CD2 3.39Å; S35-F39 VanDerWaalsContact O-CG 3.28Å; S35-F39 WeakPolarHBondContact O-CG 3.38Å; S35-F39 PolarHBondContact O-N 2.95Å
36E60.2Low70.7Confident131 Ų13181.3 Ų81.361%0.61248%0.476SS*.Hα-helixtrans-63.3-46.9178.3-172.5173.2-177.100111.4T32 V33 F39 S40T32-E36 PolarHBondContact O-N 3.44Å; V33-E36 PolarHBondContact O-N 2.86Å; E36-F39 PolarHBondContact O-N 3.38Å; E36-S40 WeakPolarHBondContact O-CB 3.36Å; E36-S40 PolarHBondContact O-N 3.49Å
37E63.3Low71.4Confident120 Ų12082.8 Ų82.856%0.56148%0.48SS*.Hα-helixtrans-64.4-40.9175.5-66.8-61.9155.200111.9V33 S40 V41V33-E37 WeakPolarHBondContact O-CG 3.14Å; V33-E37 PolarHBondContact O-N 3.42Å; E37-S40 PolarHBondContact O-N 2.91Å; E37-V41 WeakPolarHBondContact O-CG2 3.21Å; E37-V41 PolarHBondContact O-N 2.95Å
38L61Low72.2Confident115 Ų11578.3 Ų78.360%0.60246%0.458SS*.Hα-helixtrans-63.8-40.6172.7-92.9155.7000112.2G34 S35 S40 V41 V42G34-L38 VanDerWaalsContact O-CB 3.22Å; G34-L38 WeakPolarHBondContact O-CB 2.92Å; G34-L38 WeakPolarHBondContact O-CD1 3.21Å; G34-L38 WeakPolarHBondContact O-CG 3.37Å; G34-L38 PolarHBondContact O-N 3.24Å; S35-L38 PolarHBondContact O-N 3.02Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 3.41Å; L38-V41 PolarHBondContact O-N 3.31Å; L38-V42 HydrophobicContact CD2-CG2 4.38Å; L38-V42 WeakPolarHBondContact O-CB 3.4Å; L38-V42 WeakPolarHBondContact O-CG2 3.5Å; L38-V42 PolarHBondContact O-N 3.24Å
39F60.6Low72.7Confident128 Ų12877 Ų7756%0.56145%0.452SS*.Hα-helixtrans-68.3-30.5178-78.4-56000111.9S35 E36 A43S35-F39 VanDerWaalsContact O-CB 3.3Å; S35-F39 WeakPolarHBondContact O-CB 3.48Å; S35-F39 WeakPolarHBondContact O-CD2 3.39Å; S35-F39 VanDerWaalsContact O-CG 3.28Å; S35-F39 WeakPolarHBondContact O-CG 3.38Å; S35-F39 PolarHBondContact O-N 2.95Å; E36-F39 PolarHBondContact O-N 3.38Å; F39-A43 WeakPolarHBondContact O-CA 3.43Å; F39-A43 WeakPolarHBondContact O-CB 3.28Å; F39-A43 PolarHBondContact O-N 2.84Å
40S54.7Low73.3Confident81 Ų8176.8 Ų76.857%0.56645%0.446SS*.Hα-helixtrans-70.5-46.6173.5-175.50000112.1E36 E37 L38 A43E36-S40 WeakPolarHBondContact O-CB 3.36Å; E36-S40 PolarHBondContact O-N 3.49Å; E37-S40 PolarHBondContact O-N 2.91Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 3.41Å; S40-A43 WeakPolarHBondContact O-CB 3.13Å; S40-A43 PolarHBondContact O-N 3.36Å
41V60.6Low73.9Confident125 Ų12573.6 Ų73.676%0.75844%0.438SS*.Hα-helixtrans-71.5-34.5179.1174.90000112.3E37 L38 A43E37-V41 WeakPolarHBondContact O-CG2 3.21Å; E37-V41 PolarHBondContact O-N 2.95Å; L38-V41 PolarHBondContact O-N 3.31Å; V41-A43 VanDerWaalsContact C-N 3.26Å
42V65Low74.8Confident95 Ų9577.1 Ų77.158%0.57644%0.443SS*.THydrogen-bonded Turntrans-92.410.8177.1-169.60000110.8L38 F44L38-V42 HydrophobicContact CD2-CG2 4.38Å; L38-V42 WeakPolarHBondContact O-CB 3.4Å; L38-V42 WeakPolarHBondContact O-CG2 3.5Å; L38-V42 PolarHBondContact O-N 3.24Å; V42-F44 PolarHBondContact O-N 3.47Å
43A71.7Confident75.7Confident34 Ų3473.4 Ų73.428%0.28142%0.42SS..  trans-59.6124.9176.100000109.3F39 S40 V41 H45F39-A43 WeakPolarHBondContact O-CA 3.43Å; F39-A43 WeakPolarHBondContact O-CB 3.28Å; F39-A43 PolarHBondContact O-N 2.84Å; S40-A43 WeakPolarHBondContact O-CB 3.13Å; S40-A43 PolarHBondContact O-N 3.36Å; V41-A43 VanDerWaalsContact C-N 3.26Å; A43-H45 PolarHBondContact O-CD2 2.99Å; A43-H45 VanDerWaalsContact O-CD2 3.26Å; A43-H45 PolarHBondContact O-N 3.37Å
44F82.5Confident76.8Confident49 Ų4974.1 Ų74.122%0.21541%0.414CS..  trans-74.7118.6-179.3177.9-97.1000109.6V42 C46 Y56 A60 E126 A127 C130V42-F44 PolarHBondContact O-N 3.47Å; F44-C46 HydrophobicContact CE1-CB 4.27Å; F44-Y56 AromaticContact CD2-CE1 3.79Å; F44-Y56 HydrophobicContact CD2-CE1 3.79Å; F44-Y56 AromaticContact CE2-CD1 3.68Å; F44-Y56 HydrophobicContact CE2-CD1 3.68Å; F44-Y56 AromaticContact CE2-CE1 3.35Å; F44-Y56 HydrophobicContact CE2-CE1 3.35Å; F44-Y56 AromaticContact CZ-CD1 3.99Å; F44-Y56 HydrophobicContact CZ-CD1 3.99Å; F44-Y56 AromaticContact CZ-CE1 3.91Å; F44-Y56 HydrophobicContact CZ-CE1 3.91Å; F44-A60 HydrophobicContact CD2-CB 3.66Å; F44-A60 HydrophobicContact CE2-CB 3.47Å; F44-A60 VanDerWaalsContact CE2-CB 3.47Å; F44-E126 HydrophobicContact CD1-CB 3.97Å; F44-E126 HydrophobicContact CE1-CB 4.32Å; F44-A127 HydrophobicContact CD2-CB 4.4Å; F44-A127 HydrophobicContact CE1-CB 4.42Å; F44-A127 HydrophobicContact CE2-CB 3.91Å; F44-A127 HydrophobicContact CZ-CB 3.95Å; F44-C130 HydrophobicContact CE1-CB 3.72Å; F44-C130 HydrophobicContact CZ-CB 3.57Å
45H88.8Confident78.1Confident131 Ų13177.8 Ų77.861%0.60643%0.425SS*.  trans-121.1109.9178.3-66.6-62.3000110.5A43 Y56A43-H45 PolarHBondContact O-CD2 2.99Å; A43-H45 VanDerWaalsContact O-CD2 3.26Å; A43-H45 PolarHBondContact O-N 3.37Å; H45-Y56 WeakPolarHBondContact O-CE1 3.36Å
46C90.4Very high79.2Confident22 Ų2280.2 Ų80.215%0.14943%0.428CS..  trans-69.2131.4179-168.10000110.6F44 C48 C130 P157F44-C46 HydrophobicContact CE1-CB 4.27Å; C46-C48 PolarHBondContact O-N 3.32Å; C46-C130 VanDerWaalsContact CA-SG 3.58Å; C46-C130 HydrophobicContact CB-CB 3.79Å; C46-C130 WeakPolarHBondContact CB-SG 3.44Å; C46-C130 WeakPolarHBondContact SG-CB 3.14Å; C46-C130 CovalentContact SG-SG 2.04Å; C46-C130 PolarHBondContact SG-SG 3.47Å; C46-P157 HydrophobicContact CB-CB 4.02Å
47P90.1Very high80.8Confident63 Ų6374 Ų7441%0.40940%0.399SS..  trans-72.6-12.6-177.827.7-34000113.9S49 H52 Y56P47-S49 PolarHBondContact O-N 3.42Å; P47-S49 VanDerWaalsContact O-N 3.16Å; P47-H52 HydrophobicContact CG-CB 4.26Å; P47-Y56 HydrophobicContact CG-CD1 4.42Å; P47-Y56 HydrophobicContact CG-CG 4.24Å
48C90.8Very high82.2Confident16 Ų1672.6 Ų72.611%0.10840%0.395CS..  trans49.941.2176.6-65.70000114.3C46 N53 A154 R155 C158C46-C48 PolarHBondContact O-N 3.32Å; C48-N53 WeakPolarHBondContact CA-OD1 3.24Å; C48-N53 PolarHBondContact N-OD1 2.9Å; C48-A154 WeakPolarHBondContact CA-O 3.32Å; C48-R155 HydrophobicContact CB-CG 4.43Å; C48-R155 WeakPolarHBondContact O-CG 3.43Å; C48-C158 HydrophobicContact CB-CB 3.82Å; C48-C158 WeakPolarHBondContact CB-SG 3.18Å; C48-C158 WeakPolarHBondContact SG-CB 3.34Å; C48-C158 PolarHBondContact SG-N 3.11Å; C48-C158 CovalentContact SG-SG 1.99Å; C48-C158 PolarHBondContact SG-SG 3.16Å
49S89.3Confident83.8Confident43 Ų4369 Ų6930%0.30138%0.382SS..  trans-127.8135.7178.4176.90000108.9P47 H52 N53P47-S49 PolarHBondContact O-N 3.42Å; P47-S49 VanDerWaalsContact O-N 3.16Å; S49-H52 PolarHBondContact O-N 3.03Å; S49-H52 PolarHBondContact OG-ND1 3.04Å; S49-N53 PolarHBondContact N-OD1 3.21Å; S49-N53 PolarHBondContact O-N 3.33Å; S49-N53 VanDerWaalsContact O-N 3.12Å; S49-N53 PolarHBondContact O-OD1 2.93Å
50P86.4Confident85.2Confident49 Ų4964.2 Ų64.232%0.31837%0.366SS..THydrogen-bonded Turntrans-57.2148.1177.325.5-34000111.1H52 E134 E151 A154P50-H52 PolarHBondContact O-N 3.14Å; P50-H52 PolarHBondContact O-ND1 3.37Å; P50-E134 WeakPolarHBondContact CA-OE2 3.2Å; P50-E151 HydrophobicContact CG-CG 4.35Å; P50-A154 HydrophobicContact CB-CB 4.36Å
51A86.2Confident87Confident60 Ų6061.7 Ų61.750%0.49635%0.346SS..THydrogen-bonded Turntrans62.3-31.4-171.800000116.1I55 E134A51-I55 WeakPolarHBondContact O-CG1 3.36Å; A51-E134 PolarHBondContact N-OE2 3.15Å
52H91Very high88.5Confident115 Ų11557.4 Ų57.453%0.53233%0.327SS..Hα-helixtrans-77-34.4-179.7-65.279.4000111.9P47 S49 P50 Y54 I55 Y56P47-H52 HydrophobicContact CG-CB 4.26Å; S49-H52 PolarHBondContact O-N 3.03Å; S49-H52 PolarHBondContact OG-ND1 3.04Å; P50-H52 PolarHBondContact O-N 3.14Å; P50-H52 PolarHBondContact O-ND1 3.37Å; H52-Y54 PolarHBondContact O-N 3.4Å; H52-I55 PolarHBondContact O-N 2.98Å; H52-Y56 VanDerWaalsContact O-CB 3.3Å; H52-Y56 WeakPolarHBondContact O-CB 3.35Å; H52-Y56 PolarHBondContact O-N 3.41Å
53N92.2Very high89.9Confident0 Ų056.9 Ų56.90%032%0.324CS..Hα-helixtrans-54.9-50.9176.6-82.34.8000113.1C48 S49 G57 C130 A154C48-N53 WeakPolarHBondContact CA-OD1 3.24Å; C48-N53 PolarHBondContact N-OD1 2.9Å; S49-N53 PolarHBondContact N-OD1 3.21Å; S49-N53 PolarHBondContact O-N 3.33Å; S49-N53 VanDerWaalsContact O-N 3.12Å; S49-N53 PolarHBondContact O-OD1 2.93Å; N53-G57 PolarHBondContact O-N 2.68Å; N53-C130 WeakPolarHBondContact CB-O 3.3Å; N53-A154 PolarHBondContact ND2-O 3.36Å
54Y92.1Very high90.9Very high102 Ų10257.4 Ų57.440%0.432%0.324SS..Hα-helixtrans-57.1-51.1176.6176.3-106000112.4H52 Y56 L58 A131 E134 F135H52-Y54 PolarHBondContact O-N 3.4Å; Y54-Y56 PolarHBondContact O-N 3.34Å; Y54-L58 HydrophobicContact CE1-CD2 4.28Å; Y54-L58 VanDerWaalsContact O-CB 3.22Å; Y54-L58 WeakPolarHBondContact O-CB 3.42Å; Y54-L58 PolarHBondContact O-N 3.26Å; Y54-A131 HydrophobicContact CD2-CB 4.48Å; Y54-E134 VanDerWaalsContact CB-OE1 3.3Å; Y54-E134 WeakPolarHBondContact CB-OE1 3.31Å; Y54-E134 PolarHBondContact N-OE1 2.94Å; Y54-F135 AromaticContact CD2-CE2 3.74Å; Y54-F135 HydrophobicContact CD2-CE2 3.74Å; Y54-F135 HydrophobicContact CD2-CZ 4.34Å; Y54-F135 AromaticContact CG-CE2 3.99Å; Y54-F135 HydrophobicContact CG-CE2 3.99Å; Y54-F135 HydrophobicContact CG-CZ 4.31Å
55I94.1Very high91.5Very high109 Ų10955.6 Ų55.656%0.55932%0.319SS*.Hα-helixtrans-63.1-47-176.9-62.1171000110.2A51 H52 A59A51-I55 WeakPolarHBondContact O-CG1 3.36Å; H52-I55 PolarHBondContact O-N 2.98Å; I55-A59 WeakPolarHBondContact O-CB 3.31Å; I55-A59 PolarHBondContact O-N 3.47Å
56Y93.2Very high91.7Very high96 Ų9654.3 Ų54.338%0.37632%0.316SS..Hα-helixtrans-67-46.3-178.8-176-97.8000112F44 H45 P47 H52 Y54 L58 A59 A60F44-Y56 AromaticContact CD2-CE1 3.79Å; F44-Y56 HydrophobicContact CD2-CE1 3.79Å; F44-Y56 AromaticContact CE2-CD1 3.68Å; F44-Y56 HydrophobicContact CE2-CD1 3.68Å; F44-Y56 AromaticContact CE2-CE1 3.35Å; F44-Y56 HydrophobicContact CE2-CE1 3.35Å; F44-Y56 AromaticContact CZ-CD1 3.99Å; F44-Y56 HydrophobicContact CZ-CD1 3.99Å; F44-Y56 AromaticContact CZ-CE1 3.91Å; F44-Y56 HydrophobicContact CZ-CE1 3.91Å; H45-Y56 WeakPolarHBondContact O-CE1 3.36Å; P47-Y56 HydrophobicContact CG-CD1 4.42Å; P47-Y56 HydrophobicContact CG-CG 4.24Å; H52-Y56 VanDerWaalsContact O-CB 3.3Å; H52-Y56 WeakPolarHBondContact O-CB 3.35Å; H52-Y56 PolarHBondContact O-N 3.41Å; Y54-Y56 PolarHBondContact O-N 3.34Å; Y56-L58 PolarHBondContact O-N 3.5Å; Y56-A59 PolarHBondContact O-N 2.94Å; Y56-A60 WeakPolarHBondContact O-CB 3.38Å; Y56-A60 PolarHBondContact O-N 3.08Å
57G92.6Very high91.9Very high0 Ų056.9 Ų56.90%033%0.33CS..Hα-helixtrans-62.8-41.3177.800000112.5N53 A60 I61N53-G57 PolarHBondContact O-N 2.68Å; G57-A60 PolarHBondContact O-N 3.44Å; G57-I61 PolarHBondContact O-N 2.73Å
58L93.1Very high92.1Very high92 Ų9256.7 Ų56.748%0.48233%0.326SS..Hα-helixtrans-66.3-43.3175.1-173.368000111.7Y54 Y56 A60 I61 G62Y54-L58 HydrophobicContact CE1-CD2 4.28Å; Y54-L58 VanDerWaalsContact O-CB 3.22Å; Y54-L58 WeakPolarHBondContact O-CB 3.42Å; Y54-L58 PolarHBondContact O-N 3.26Å; Y56-L58 PolarHBondContact O-N 3.5Å; L58-A60 VanDerWaalsContact C-N 3.34Å; L58-A60 PolarHBondContact O-N 2.97Å; L58-I61 PolarHBondContact O-N 3.45Å; L58-G62 PolarHBondContact O-N 2.8Å
59A93.7Very high92.2Very high40 Ų4058.9 Ų58.933%0.33133%0.333SS..Hα-helixtrans-62.2-40.9177.200000111.8I55 Y56 I61 G62 V63I55-A59 WeakPolarHBondContact O-CB 3.31Å; I55-A59 PolarHBondContact O-N 3.47Å; Y56-A59 PolarHBondContact O-N 2.94Å; A59-I61 VanDerWaalsContact C-N 3.26Å; A59-I61 PolarHBondContact O-N 3.21Å; A59-G62 PolarHBondContact O-N 3.38Å; A59-V63 HydrophobicContact CB-CG2 4.16Å; A59-V63 VanDerWaalsContact O-CB 3.26Å; A59-V63 WeakPolarHBondContact O-CB 2.82Å; A59-V63 WeakPolarHBondContact O-CG2 3.26Å; A59-V63 PolarHBondContact O-N 3.4Å
60A91.2Very high92.4Very high27 Ų2761.1 Ų61.122%0.22334%0.342CS..Hα-helixtrans-63.4-29.5178.200000113.4F44 Y56 G57 L58 P64 A127F44-A60 HydrophobicContact CD2-CB 3.66Å; F44-A60 HydrophobicContact CE2-CB 3.47Å; F44-A60 VanDerWaalsContact CE2-CB 3.47Å; Y56-A60 WeakPolarHBondContact O-CB 3.38Å; Y56-A60 PolarHBondContact O-N 3.08Å; G57-A60 PolarHBondContact O-N 3.44Å; L58-A60 VanDerWaalsContact C-N 3.34Å; L58-A60 PolarHBondContact O-N 2.97Å; A60-P64 WeakPolarHBondContact O-CD 3.35Å; A60-P64 WeakPolarHBondContact O-CG 3.35Å; A60-A127 HydrophobicContact CB-CB 4.5Å
61I91.9Very high92.7Very high27 Ų2763 Ų6314%0.13835%0.348CS..Hα-helixtrans-83.2-50.5173-60.2174.3000110.3G57 L58 A59 W117 A127G57-I61 PolarHBondContact O-N 2.73Å; L58-I61 PolarHBondContact O-N 3.45Å; A59-I61 VanDerWaalsContact C-N 3.26Å; A59-I61 PolarHBondContact O-N 3.21Å; I61-W117 PolarHBondContact O-NE1 2.83Å; I61-W117 VanDerWaalsContact O-NE1 3.11Å; I61-A127 HydrophobicContact CD1-CB 3.84Å; I61-A127 HydrophobicContact CG1-CB 3.65Å
62G92.6Very high92.9Very high36 Ų3661.2 Ų61.237%0.37134%0.336SS..Hα-helixtrans-79.1-38.7-167.500000115.2L58 A59 A65 L66L58-G62 PolarHBondContact O-N 2.8Å; A59-G62 PolarHBondContact O-N 3.38Å; G62-A65 PolarHBondContact O-N 2.9Å; G62-L66 WeakPolarHBondContact O-CB 3.4Å; G62-L66 PolarHBondContact O-N 3.48Å
63V94.6Very high92.9Very high84 Ų8457.1 Ų57.151%0.50932%0.319SS..Hα-helixtrans-67.3-48.9-175.8175.50000111.6A59 A65 L66 V67A59-V63 HydrophobicContact CB-CG2 4.16Å; A59-V63 VanDerWaalsContact O-CB 3.26Å; A59-V63 WeakPolarHBondContact O-CB 2.82Å; A59-V63 WeakPolarHBondContact O-CG2 3.26Å; A59-V63 PolarHBondContact O-N 3.4Å; V63-A65 VanDerWaalsContact C-N 3.29Å; V63-A65 PolarHBondContact O-N 3.13Å; V63-L66 PolarHBondContact O-N 3.44Å; V63-L66 VanDerWaalsContact O-N 3.15Å; V63-V67 HydrophobicContact CG1-CG2 4.48Å; V63-V67 WeakPolarHBondContact O-CG2 3.4Å; V63-V67 PolarHBondContact O-N 3.02Å
64P92.4Very high92.8Very high44 Ų4462.1 Ų62.129%0.28634%0.344SS..Hα-helixtrans-63.8-35.7176.6-20.533.3000112.3A60 V67 L68 W117A60-P64 WeakPolarHBondContact O-CD 3.35Å; A60-P64 WeakPolarHBondContact O-CG 3.35Å; P64-V67 PolarHBondContact O-N 3.07Å; P64-L68 WeakPolarHBondContact O-CB 3.31Å; P64-L68 VanDerWaalsContact O-CG 3.27Å; P64-L68 WeakPolarHBondContact O-CG 3.42Å; P64-L68 PolarHBondContact O-N 3.13Å; P64-W117 HydrophobicContact CB-CD2 4.19Å; P64-W117 HydrophobicContact CB-CZ2 3.83Å; P64-W117 HydrophobicContact CG-CZ2 3.78Å
65A93.9Very high92.5Very high12 Ų1267.6 Ų67.610%0.09937%0.365CS..Hα-helixtrans-59.8-48.1171.700000111.3G62 V63 V67 L68 F69 P114G62-A65 PolarHBondContact O-N 2.9Å; V63-A65 VanDerWaalsContact C-N 3.29Å; V63-A65 PolarHBondContact O-N 3.13Å; A65-V67 VanDerWaalsContact C-N 3.35Å; A65-V67 PolarHBondContact O-N 3.18Å; A65-L68 PolarHBondContact O-N 3.4Å; A65-F69 WeakPolarHBondContact O-CB 3.37Å; A65-F69 PolarHBondContact O-N 3.46Å; A65-P114 HydrophobicContact CB-CB 3.88Å; A65-P114 VanDerWaalsContact O-CB 3.32Å; A65-P114 WeakPolarHBondContact O-CB 3.27Å
66L94.6Very high92.1Very high103 Ų10363.2 Ų63.254%0.53934%0.342SS..Hα-helixtrans-60.3-43.9178.4-178.662.1000111.9G62 V63 F69 L70G62-L66 WeakPolarHBondContact O-CB 3.4Å; G62-L66 PolarHBondContact O-N 3.48Å; V63-L66 PolarHBondContact O-N 3.44Å; V63-L66 VanDerWaalsContact O-N 3.15Å; L66-F69 WeakPolarHBondContact O-CB 3.47Å; L66-F69 PolarHBondContact O-N 2.93Å; L66-L70 HydrophobicContact CD1-CG 4.44Å; L66-L70 HydrophobicContact CG-CD1 4.33Å; L66-L70 VanDerWaalsContact O-CG 3.31Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 2.88Å
67V94.4Very high91.6Very high76 Ų7664.5 Ų64.546%0.46136%0.355SS..Hα-helixtrans-60.9-48176.9172.40000111.1V63 P64 A65 F69 L70 I71V63-V67 HydrophobicContact CG1-CG2 4.48Å; V63-V67 WeakPolarHBondContact O-CG2 3.4Å; V63-V67 PolarHBondContact O-N 3.02Å; P64-V67 PolarHBondContact O-N 3.07Å; A65-V67 VanDerWaalsContact C-N 3.35Å; A65-V67 PolarHBondContact O-N 3.18Å; V67-F69 VanDerWaalsContact C-N 3.28Å; V67-F69 PolarHBondContact O-N 2.96Å; V67-L70 PolarHBondContact O-N 3.35Å; V67-I71 HydrophobicContact CG1-CD1 3.84Å; V67-I71 WeakPolarHBondContact O-CG1 3.35Å; V67-I71 PolarHBondContact O-N 3.5Å
68L93.1Very high91.1Very high60 Ų6068.4 Ų68.431%0.31437%0.373SS..Hα-helixtrans-60.8-38.7177.1-72.7171.8000112.2P64 A65 G72 A113 W117P64-L68 WeakPolarHBondContact O-CB 3.31Å; P64-L68 VanDerWaalsContact O-CG 3.27Å; P64-L68 WeakPolarHBondContact O-CG 3.42Å; P64-L68 PolarHBondContact O-N 3.13Å; A65-L68 PolarHBondContact O-N 3.4Å; L68-G72 PolarHBondContact O-N 3.29Å; L68-A113 HydrophobicContact CB-CB 4.07Å; L68-A113 HydrophobicContact CD1-CB 4.37Å; L68-A113 HydrophobicContact CD2-CB 4.37Å; L68-W117 HydrophobicContact CD1-CB 3.81Å; L68-W117 HydrophobicContact CD1-CG 4.28Å
69F94Very high90.7Very high61 Ų6165 Ų6527%0.26836%0.357SS..Hα-helixtrans-63.2-47.8175.5-179.7-107.6000111.8A65 L66 V67 I71 G72 V73 M107 A110 P114A65-F69 WeakPolarHBondContact O-CB 3.37Å; A65-F69 PolarHBondContact O-N 3.46Å; L66-F69 WeakPolarHBondContact O-CB 3.47Å; L66-F69 PolarHBondContact O-N 2.93Å; V67-F69 VanDerWaalsContact C-N 3.28Å; V67-F69 PolarHBondContact O-N 2.96Å; F69-I71 PolarHBondContact O-N 2.84Å; F69-G72 PolarHBondContact O-N 3.34Å; F69-G72 VanDerWaalsContact O-N 3.15Å; F69-V73 HydrophobicContact CD1-CG2 4.42Å; F69-V73 HydrophobicContact CE1-CG2 4.1Å; F69-V73 HydrophobicContact CE2-CG2 4.36Å; F69-V73 HydrophobicContact CZ-CG2 4.1Å; F69-V73 WeakPolarHBondContact O-CG2 3.28Å; F69-V73 PolarHBondContact O-N 2.98Å; F69-M107 HydrophobicContact CE1-SD 4.46Å; F69-M107 HydrophobicContact CE2-SD 3.89Å; F69-M107 HydrophobicContact CZ-CE 4.47Å; F69-M107 HydrophobicContact CZ-SD 3.4Å; F69-M107 WeakPolarHBondContact CZ-SD 3.42Å; F69-A110 HydrophobicContact CD2-CB 4.03Å; F69-A110 HydrophobicContact CE2-CB 4Å; F69-P114 HydrophobicContact CB-CB 4.32Å; F69-P114 HydrophobicContact CB-CG 3.98Å; F69-P114 HydrophobicContact CD2-CG 4.23Å
70L94Very high90.3Very high90 Ų9069.8 Ų69.847%0.47137%0.366SS..Hα-helixtrans-60.9-44.8178.3-69.2174.4000111.6L66 V67 G72 V73 I74L66-L70 HydrophobicContact CD1-CG 4.44Å; L66-L70 HydrophobicContact CG-CD1 4.33Å; L66-L70 VanDerWaalsContact O-CG 3.31Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 2.88Å; V67-L70 PolarHBondContact O-N 3.35Å; L70-G72 VanDerWaalsContact C-N 3.3Å; L70-G72 PolarHBondContact O-N 2.88Å; L70-V73 PolarHBondContact O-N 3.46Å; L70-I74 VanDerWaalsContact O-CG1 3.26Å; L70-I74 WeakPolarHBondContact O-CG1 3.38Å; L70-I74 PolarHBondContact O-N 3.47Å
71I92.1Very high89.8Confident89 Ų8971.4 Ų71.446%0.45637%0.371SS..Hα-helixtrans-58.3-45.3174.5-67.5167.2000110.2V67 F69 V73 I74 W75V67-I71 HydrophobicContact CG1-CD1 3.84Å; V67-I71 WeakPolarHBondContact O-CG1 3.35Å; V67-I71 PolarHBondContact O-N 3.5Å; F69-I71 PolarHBondContact O-N 2.84Å; I71-V73 VanDerWaalsContact C-N 3.32Å; I71-V73 PolarHBondContact O-N 3.34Å; I71-I74 PolarHBondContact O-N 3.5Å; I71-W75 WeakPolarHBondContact O-CB 3.27Å; I71-W75 PolarHBondContact O-N 3.04Å
72G90.7Very high89.3Confident23 Ų2372.1 Ų72.124%0.23738%0.377CS..Hα-helixtrans-60.8-37.3177.100000113.6L68 F69 L70 N76L68-G72 PolarHBondContact O-N 3.29Å; F69-G72 PolarHBondContact O-N 3.34Å; F69-G72 VanDerWaalsContact O-N 3.15Å; L70-G72 VanDerWaalsContact C-N 3.3Å; L70-G72 PolarHBondContact O-N 2.88Å; G72-N76 WeakPolarHBondContact O-CB 3.42Å; G72-N76 PolarHBondContact O-N 3.46Å
73V89.9Confident88.8Confident29 Ų2974 Ų7418%0.17638%0.381CS..Hα-helixtrans-69.3-43.3175.5172.30000111.3F69 L70 I71 N76 T79 A110F69-V73 HydrophobicContact CD1-CG2 4.42Å; F69-V73 HydrophobicContact CE1-CG2 4.1Å; F69-V73 HydrophobicContact CE2-CG2 4.36Å; F69-V73 HydrophobicContact CZ-CG2 4.1Å; F69-V73 WeakPolarHBondContact O-CG2 3.28Å; F69-V73 PolarHBondContact O-N 2.98Å; L70-V73 PolarHBondContact O-N 3.46Å; I71-V73 VanDerWaalsContact C-N 3.32Å; I71-V73 PolarHBondContact O-N 3.34Å; V73-N76 PolarHBondContact O-N 3.5Å; V73-T79 HydrophobicContact CG1-CG2 3.84Å; V73-T79 WeakPolarHBondContact O-CB 3.48Å; V73-T79 PolarHBondContact O-OG1 3.37Å; V73-A110 HydrophobicContact CG2-CB 3.67Å
74I90.3Very high88.1Confident104 Ų10471.3 Ų71.353%0.53337%0.368SS..Hα-helixtrans-66-42.5-178.9-69.6166.6000111.4L70 I71 N76 W80L70-I74 VanDerWaalsContact O-CG1 3.26Å; L70-I74 WeakPolarHBondContact O-CG1 3.38Å; L70-I74 PolarHBondContact O-N 3.47Å; I71-I74 PolarHBondContact O-N 3.5Å; I74-N76 PolarHBondContact O-N 3.39Å; I74-W80 HydrophobicContact CG2-CZ2 4.47Å; I74-W80 PolarHBondContact O-NE1 3.35Å
75W86.7Confident87.4Confident218 Ų21870 Ų7083%0.82636%0.357SS*.Hα-helixtrans-75.7-12.6-178-154.4-77.9000113.3I71 N77I71-W75 WeakPolarHBondContact O-CB 3.27Å; I71-W75 PolarHBondContact O-N 3.04Å; W75-N77 PolarHBondContact O-N 2.57Å
76N86.1Confident86.6Confident17 Ų1772.1 Ų72.19%0.09137%0.371CS..  trans-82.1108.9-176.7-173.7-5000111.5G72 V73 I74 H78 T79 I106G72-N76 WeakPolarHBondContact O-CB 3.42Å; G72-N76 PolarHBondContact O-N 3.46Å; V73-N76 PolarHBondContact O-N 3.5Å; I74-N76 PolarHBondContact O-N 3.39Å; N76-H78 PolarHBondContact O-N 2.72Å; N76-H78 WeakPolarHBondContact OD1-CB 3.25Å; N76-H78 PolarHBondContact OD1-CD2 2.86Å; N76-H78 PolarHBondContact OD1-N 2.96Å; N76-T79 WeakPolarHBondContact O-CB 3.13Å; N76-T79 PolarHBondContact O-N 2.73Å; N76-T79 PolarHBondContact O-OG1 3.19Å; N76-I106 WeakPolarHBondContact ND2-CA 3.39Å
77N82.7Confident85.8Confident122 Ų12275 Ų7565%0.65238%0.382SS*.Hα-helixtrans-54.8-27.7176.2-70.3-14000113.7W75 T79 W80 N81W75-N77 PolarHBondContact O-N 2.57Å; N77-T79 VanDerWaalsContact C-N 3.31Å; N77-T79 PolarHBondContact O-N 3.42Å; N77-W80 PolarHBondContact O-N 3.28Å; N77-N81 PolarHBondContact O-N 2.88Å; N77-N81 VanDerWaalsContact O-N 3.13Å; N77-N81 PolarHBondContact O-ND2 3.23Å
78H81.6Confident84.7Confident82 Ų8275.5 Ų75.538%0.3838%0.377SS..Hα-helixtrans-66.3-32.3175.1-68.6-72.3000112.7N76 N81 V82 I106N76-H78 PolarHBondContact O-N 2.72Å; N76-H78 WeakPolarHBondContact OD1-CB 3.25Å; N76-H78 PolarHBondContact OD1-CD2 2.86Å; N76-H78 PolarHBondContact OD1-N 2.96Å; H78-N81 PolarHBondContact O-N 3.41Å; H78-V82 WeakPolarHBondContact O-CG2 3.29Å; H78-V82 PolarHBondContact O-N 3.47Å; H78-V82 VanDerWaalsContact O-N 3.15Å; H78-I106 HydrophobicContact CB-CD1 4.36Å; H78-I106 HydrophobicContact CB-CG1 3.88Å
79T84.4Confident83.6Confident21 Ų2176 Ų7613%0.12938%0.375CS..Hα-helixtrans-59-51.7174.8-51.40000110.2V73 N76 N77 N81 V82 V83 I106V73-T79 HydrophobicContact CG1-CG2 3.84Å; V73-T79 WeakPolarHBondContact O-CB 3.48Å; V73-T79 PolarHBondContact O-OG1 3.37Å; N76-T79 WeakPolarHBondContact O-CB 3.13Å; N76-T79 PolarHBondContact O-N 2.73Å; N76-T79 PolarHBondContact O-OG1 3.19Å; N77-T79 VanDerWaalsContact C-N 3.31Å; N77-T79 PolarHBondContact O-N 3.42Å; T79-N81 VanDerWaalsContact C-N 3.32Å; T79-N81 PolarHBondContact O-N 2.92Å; T79-V82 PolarHBondContact O-N 2.94Å; T79-V82 VanDerWaalsContact O-N 3.13Å; T79-V83 WeakPolarHBondContact O-CG2 3.45Å; T79-V83 PolarHBondContact O-N 3.47Å; T79-I106 WeakPolarHBondContact OG1-CG2 3.19Å
80W84.6Confident82.3Confident140 Ų14074.6 Ų74.653%0.5338%0.378SS..Hα-helixtrans-65.3-34.4-179.3-62111.6000113I74 N77 V82 V83 A84I74-W80 HydrophobicContact CG2-CZ2 4.47Å; I74-W80 PolarHBondContact O-NE1 3.35Å; N77-W80 PolarHBondContact O-N 3.28Å; W80-V82 VanDerWaalsContact C-N 3.34Å; W80-V82 PolarHBondContact O-N 2.94Å; W80-V83 PolarHBondContact O-N 2.81Å; W80-A84 VanDerWaalsContact O-CB 3.26Å; W80-A84 WeakPolarHBondContact O-CB 3.25Å; W80-A84 PolarHBondContact O-N 3.23Å
81N81.6Confident80.7Confident62 Ų6275.6 Ų75.633%0.33239%0.388SS..Hα-helixtrans-62.5-39.4173.4-75.3-35.4000112.4N77 H78 T79 E85 V267N77-N81 PolarHBondContact O-N 2.88Å; N77-N81 VanDerWaalsContact O-N 3.13Å; N77-N81 PolarHBondContact O-ND2 3.23Å; H78-N81 PolarHBondContact O-N 3.41Å; T79-N81 VanDerWaalsContact C-N 3.32Å; T79-N81 PolarHBondContact O-N 2.92Å; N81-E85 WeakPolarHBondContact O-CB 3.41Å; N81-E85 PolarHBondContact O-N 3.11Å; N81-V267 HydrophobicContact CB-CG2 4.16Å
82V80.8Confident79.1Confident41 Ų4180.7 Ų80.725%0.24841%0.406CS..Hα-helixtrans-68.6-44.9175.6173.20000110.8H78 T79 W80 A84 E85 C86 I106 V267H78-V82 WeakPolarHBondContact O-CG2 3.29Å; H78-V82 PolarHBondContact O-N 3.47Å; H78-V82 VanDerWaalsContact O-N 3.15Å; T79-V82 PolarHBondContact O-N 2.94Å; T79-V82 VanDerWaalsContact O-N 3.13Å; W80-V82 VanDerWaalsContact C-N 3.34Å; W80-V82 PolarHBondContact O-N 2.94Å; V82-A84 VanDerWaalsContact C-N 3.34Å; V82-A84 PolarHBondContact O-N 2.93Å; V82-E85 PolarHBondContact O-N 2.91Å; V82-C86 WeakPolarHBondContact O-CB 3.5Å; V82-C86 PolarHBondContact O-N 3Å; V82-I106 HydrophobicContact CG2-CD1 3.92Å; V82-V267 HydrophobicContact CB-CG2 4.36Å; V82-V267 HydrophobicContact CG2-CG2 3.69Å
83V83.1Confident77.6Confident76 Ų7684.6 Ų84.646%0.46142%0.422SS..Hα-helixtrans-60.4-45177.4173.60000110.9T79 W80 E85 C86 H87T79-V83 WeakPolarHBondContact O-CG2 3.45Å; T79-V83 PolarHBondContact O-N 3.47Å; W80-V83 PolarHBondContact O-N 2.81Å; V83-E85 VanDerWaalsContact C-N 3.34Å; V83-E85 PolarHBondContact O-N 3.01Å; V83-C86 PolarHBondContact O-N 3.46Å; V83-H87 WeakPolarHBondContact O-CB 3.43Å; V83-H87 PolarHBondContact O-N 3.16Å
84A78.8Confident76.2Confident28 Ų2885.2 Ų85.223%0.23142%0.423CS..Hα-helixtrans-63-38.9176.700000112.3W80 V82 K88W80-A84 VanDerWaalsContact O-CB 3.26Å; W80-A84 WeakPolarHBondContact O-CB 3.25Å; W80-A84 PolarHBondContact O-N 3.23Å; V82-A84 VanDerWaalsContact C-N 3.34Å; V82-A84 PolarHBondContact O-N 2.93Å; A84-K88 VanDerWaalsContact O-CB 3.32Å; A84-K88 WeakPolarHBondContact O-CB 3.43Å; A84-K88 VanDerWaalsContact O-CG 3.28Å; A84-K88 WeakPolarHBondContact O-CG 3.38Å; A84-K88 PolarHBondContact O-N 2.68Å
85E77.2Confident75.2Confident15 Ų1583.3 Ų83.37%0.0742%0.418CS..Hα-helixtrans-65.2-44.5176.1-165.366.3-155.500111.2N81 V82 V83 K88 R89 F94 G266 V267N81-E85 WeakPolarHBondContact O-CB 3.41Å; N81-E85 PolarHBondContact O-N 3.11Å; V82-E85 PolarHBondContact O-N 2.91Å; V83-E85 VanDerWaalsContact C-N 3.34Å; V83-E85 PolarHBondContact O-N 3.01Å; E85-K88 PolarHBondContact O-N 3.45Å; E85-R89 PolarHBondContact O-N 2.82Å; E85-R89 VanDerWaalsContact OE1-CD 3.26Å; E85-R89 WeakPolarHBondContact OE1-CD 3.16Å; E85-R89 IonicContact OE1-CZ 3.69Å; E85-R89 IonicContact OE1-NE 3.84Å; E85-R89 IonicContact OE1-NH1 2.76Å; E85-R89 PolarHBondContact OE1-NH1 3.36Å; E85-R89 IonicContact OE2-NH1 2.92Å; E85-R89 PolarHBondContact OE2-NH1 2.96Å; E85-F94 HydrophobicContact CB-CE2 3.96Å; E85-F94 HydrophobicContact CB-CZ 3.96Å; E85-F94 HydrophobicContact CG-CE2 3.59Å; E85-F94 HydrophobicContact CG-CZ 3.64Å; E85-G266 VanDerWaalsContact OE2-CA 3.3Å; E85-G266 WeakPolarHBondContact OE2-CA 3.32Å; E85-V267 HydrophobicContact CB-CG2 4.38Å; E85-V267 PolarHBondContact OE2-N 2.74Å
86C78.3Confident74.4Confident57 Ų5778.9 Ų78.939%0.38542%0.415SS..Hα-helixtrans-64-45177.4-168.70000111.9V82 V83 K88 G90V82-C86 WeakPolarHBondContact O-CB 3.5Å; V82-C86 PolarHBondContact O-N 3Å; V83-C86 PolarHBondContact O-N 3.46Å; C86-K88 PolarHBondContact O-N 3.24Å; C86-G90 WeakPolarHBondContact O-CA 3.12Å; C86-G90 PolarHBondContact O-N 3.45Å
87H77.4Confident73.7Confident165 Ų16581 Ų8176%0.76444%0.435SS*.Hα-helixtrans-63.5-41.2178.2-179.3-91.2000112.5V83V83-H87 WeakPolarHBondContact O-CB 3.43Å; V83-H87 PolarHBondContact O-N 3.16Å
88K71.3Confident73.1Confident85 Ų8575.9 Ų75.937%0.3741%0.41SS..Hα-helixtrans-87.7-31.8-173.7-66.8-179.3-176.6-165.70114.3A84 E85 C86 N262 T265A84-K88 VanDerWaalsContact O-CB 3.32Å; A84-K88 WeakPolarHBondContact O-CB 3.43Å; A84-K88 VanDerWaalsContact O-CG 3.28Å; A84-K88 WeakPolarHBondContact O-CG 3.38Å; A84-K88 PolarHBondContact O-N 2.68Å; E85-K88 PolarHBondContact O-N 3.45Å; C86-K88 PolarHBondContact O-N 3.24Å; K88-N262 HydrophobicContact CD-CB 4.5Å; K88-N262 WeakPolarHBondContact CD-OD1 3.49Å; K88-N262 VanDerWaalsContact CE-OD1 3.25Å; K88-N262 WeakPolarHBondContact CE-OD1 3.4Å; K88-N262 PolarHBondContact NZ-OD1 2.88Å; K88-T265 PolarHBondContact NZ-OG1 3.36Å
89R69.8Low72.8Confident71 Ų7175 Ų7527%0.26841%0.41SS..Hα-helixtrans-1230.4-172.9-62.2-160.3-179.579.917.9114.5E85 N262 R281E85-R89 PolarHBondContact O-N 2.82Å; E85-R89 VanDerWaalsContact OE1-CD 3.26Å; E85-R89 WeakPolarHBondContact OE1-CD 3.16Å; E85-R89 IonicContact OE1-CZ 3.69Å; E85-R89 IonicContact OE1-NE 3.84Å; E85-R89 IonicContact OE1-NH1 2.76Å; E85-R89 PolarHBondContact OE1-NH1 3.36Å; E85-R89 IonicContact OE2-NH1 2.92Å; E85-R89 PolarHBondContact OE2-NH1 2.96Å; R89-N262 PolarHBondContact NH2-O 2.69Å; R89-R281 VanDerWaalsContact CZ-CZ 3.42Å; R89-R281 VanDerWaalsContact NH1-NH2 3.16Å; R89-R281 VanDerWaalsContact NH2-CZ 3.35Å
90G66.4Low72.4Confident31 Ų3181.3 Ų81.332%0.3244%0.436SS..  trans64.5-179-172.500000112.5C86 K92C86-G90 WeakPolarHBondContact O-CA 3.12Å; C86-G90 PolarHBondContact O-N 3.45Å; G90-K92 PolarHBondContact O-N 2.93Å
91T61.6Low72.1Confident111 Ų11180.8 Ų80.868%0.68144%0.443SS*.G310 helixtrans-73.8-0.8179.743.10000114.2N93T91-N93 VanDerWaalsContact C-N 3.32Å; T91-N93 PolarHBondContact O-N 3.49Å
92K58.9Low72Confident196 Ų19679.5 Ų79.585%0.85244%0.436SS*.G310 helixtrans-71-15.8-167.9-70.7-174.2175-178.80115.8G90G90-K92 PolarHBondContact O-N 2.93Å
93N58.5Low72Confident105 Ų10583.2 Ų83.256%0.56145%0.449SS*.G310 helixtrans-107.72.9-174-70.7-29.8000114.5T91T91-N93 VanDerWaalsContact C-N 3.32Å; T91-N93 PolarHBondContact O-N 3.49Å
94F60.2Low72Confident43 Ų4381.5 Ų81.519%0.18945%0.447CS..  trans-97106.3-177.5-86-67.6000110.4E85 T99 L102 V267E85-F94 HydrophobicContact CB-CE2 3.96Å; E85-F94 HydrophobicContact CB-CZ 3.96Å; E85-F94 HydrophobicContact CG-CE2 3.59Å; E85-F94 HydrophobicContact CG-CZ 3.64Å; F94-T99 WeakPolarHBondContact CB-OG1 3.26Å; F94-L102 HydrophobicContact CD1-CD1 4.14Å; F94-L102 HydrophobicContact CE1-CD1 3.52Å; F94-V267 HydrophobicContact CE1-CB 4.39Å; F94-V267 HydrophobicContact CE1-CG2 4.45Å; F94-V267 HydrophobicContact CZ-CB 4.27Å; F94-V267 HydrophobicContact CZ-CG2 4.07Å
95S69.8Low72.2Confident63 Ų6382.4 Ų82.444%0.44145%0.451SS..  trans-58.5140.5162.8171.60000109.1A97 A98 T99S95-A97 PolarHBondContact O-N 2.8Å; S95-A98 PolarHBondContact O-N 2.96Å; S95-A98 VanDerWaalsContact O-N 3.08Å; S95-T99 PolarHBondContact O-N 2.85Å; S95-T99 PolarHBondContact O-OG1 2.81Å
96V70.1Confident72.7Confident126 Ų12682.2 Ų82.276%0.76445%0.45SS*.Hα-helixtrans-53.9-43-179.61770000110.8A98 T99 F100V96-A98 PolarHBondContact O-N 2.83Å; V96-T99 PolarHBondContact O-N 3.3Å; V96-F100 PolarHBondContact O-N 3.17Å
97A70.8Confident73.2Confident62 Ų6281.8 Ų81.851%0.51244%0.443SS..Hα-helixtrans-64-42.4178.400000112.5S95 F100 L101S95-A97 PolarHBondContact O-N 2.8Å; A97-F100 PolarHBondContact O-N 3.5Å; A97-L101 WeakPolarHBondContact O-CG 3.41Å; A97-L101 PolarHBondContact O-N 3.32Å
98A71.1Confident73.6Confident14 Ų1476.2 Ų76.212%0.11643%0.43CS..Hα-helixtrans-66.5-39.8177.700000111.8S95 V96 F100 L101 L102 I269S95-A98 PolarHBondContact O-N 2.96Å; S95-A98 VanDerWaalsContact O-N 3.08Å; V96-A98 PolarHBondContact O-N 2.83Å; A98-F100 VanDerWaalsContact C-N 3.34Å; A98-L101 PolarHBondContact O-N 3.39Å; A98-L102 WeakPolarHBondContact O-CB 3.47Å; A98-L102 VanDerWaalsContact O-CD1 3.32Å; A98-L102 WeakPolarHBondContact O-CD1 3.22Å; A98-L102 WeakPolarHBondContact O-CG 3.45Å; A98-L102 PolarHBondContact O-N 3.38Å; A98-I269 HydrophobicContact CB-CD1 3.46Å; A98-I269 VanDerWaalsContact CB-CD1 3.46Å; A98-I269 HydrophobicContact CB-CG1 4.34Å
99T74Confident74.5Confident63 Ų6378 Ų7839%0.38744%0.435SS..Hα-helixtrans-60.7-45.6175.3-490000111.1F94 S95 V96 L101 L102 F103F94-T99 WeakPolarHBondContact CB-OG1 3.26Å; S95-T99 PolarHBondContact O-N 2.85Å; S95-T99 PolarHBondContact O-OG1 2.81Å; V96-T99 PolarHBondContact O-N 3.3Å; T99-L101 PolarHBondContact O-N 2.87Å; T99-L102 PolarHBondContact O-N 3.37Å; T99-F103 VanDerWaalsContact O-CB 3.24Å; T99-F103 WeakPolarHBondContact O-CB 3.38Å; T99-F103 PolarHBondContact O-N 3.35Å
100F75.7Confident75.5Confident154 Ų15474.7 Ų74.768%0.67542%0.423SS*.Hα-helixtrans-62.4-44.1178.9-173.1-98.9000112V96 A97 A98 L102 F103 G104V96-F100 PolarHBondContact O-N 3.17Å; A97-F100 PolarHBondContact O-N 3.5Å; A98-F100 VanDerWaalsContact C-N 3.34Å; F100-L102 PolarHBondContact O-N 3.1Å; F100-F103 PolarHBondContact O-N 3.41Å; F100-G104 PolarHBondContact O-N 3.41Å
101L78.1Confident76.8Confident128 Ų12874.7 Ų74.767%0.6742%0.42SS*.Hα-helixtrans-63.8-41.5176.9-70.9173.6000112.4A97 A98 T99 S105A97-L101 WeakPolarHBondContact O-CG 3.41Å; A97-L101 PolarHBondContact O-N 3.32Å; A98-L101 PolarHBondContact O-N 3.39Å; T99-L101 PolarHBondContact O-N 2.87Å; L101-S105 VanDerWaalsContact O-CB 3.25Å; L101-S105 WeakPolarHBondContact O-CB 3.48Å; L101-S105 PolarHBondContact O-N 3.47Å
102L79.8Confident78.2Confident36 Ų3673.7 Ų73.719%0.18841%0.413CS..Hα-helixtrans-67.8-46.9178.3-70.6162.8000111.3F94 A98 T99 F100 S105 I106 V267F94-L102 HydrophobicContact CD1-CD1 4.14Å; F94-L102 HydrophobicContact CE1-CD1 3.52Å; A98-L102 WeakPolarHBondContact O-CB 3.47Å; A98-L102 VanDerWaalsContact O-CD1 3.32Å; A98-L102 WeakPolarHBondContact O-CD1 3.22Å; A98-L102 WeakPolarHBondContact O-CG 3.45Å; A98-L102 PolarHBondContact O-N 3.38Å; T99-L102 PolarHBondContact O-N 3.37Å; F100-L102 PolarHBondContact O-N 3.1Å; L102-S105 WeakPolarHBondContact O-CB 3.48Å; L102-S105 PolarHBondContact O-N 3.24Å; L102-I106 WeakPolarHBondContact O-CG1 3.21Å; L102-I106 PolarHBondContact O-N 3.26Å; L102-V267 HydrophobicContact CD1-CG1 3.65Å; L102-V267 HydrophobicContact CD2-CG1 3.65Å; L102-V267 HydrophobicContact CG-CG1 4.31Å
103F81.8Confident79.7Confident119 Ų11966.5 Ų66.552%0.52239%0.39SS..Hα-helixtrans-62.8-46.7178-168.2-98.2000111T99 F100 S105 I106 M107T99-F103 VanDerWaalsContact O-CB 3.24Å; T99-F103 WeakPolarHBondContact O-CB 3.38Å; T99-F103 PolarHBondContact O-N 3.35Å; F100-F103 PolarHBondContact O-N 3.41Å; F103-S105 VanDerWaalsContact C-N 3.25Å; F103-S105 PolarHBondContact O-N 2.95Å; F103-I106 PolarHBondContact O-N 3.4Å; F103-I106 VanDerWaalsContact O-N 3.11Å; F103-M107 HydrophobicContact CD1-CG 3.69Å; F103-M107 HydrophobicContact CD2-CE 3.97Å; F103-M107 HydrophobicContact CD2-CG 4.46Å; F103-M107 HydrophobicContact CE1-CE 4.05Å; F103-M107 HydrophobicContact CE1-CG 3.44Å; F103-M107 VanDerWaalsContact CE1-CG 3.44Å; F103-M107 HydrophobicContact CE1-SD 4.37Å; F103-M107 HydrophobicContact CE2-CE 3.24Å; F103-M107 HydrophobicContact CE2-CG 4.26Å; F103-M107 HydrophobicContact CG-CG 4.21Å; F103-M107 HydrophobicContact CZ-CE 3.3Å; F103-M107 HydrophobicContact CZ-CG 3.76Å; F103-M107 HydrophobicContact CZ-SD 4.12Å; F103-M107 WeakPolarHBondContact O-CB 3.39Å; F103-M107 VanDerWaalsContact O-CG 3.28Å; F103-M107 WeakPolarHBondContact O-CG 3.26Å; F103-M107 PolarHBondContact O-N 2.88Å
104G81.9Confident81.5Confident40 Ų4062.1 Ų62.141%0.41237%0.367SS..Hα-helixtrans-59.1-36173.700000112.7F100 G108F100-G104 PolarHBondContact O-N 3.41Å; G104-G108 WeakPolarHBondContact O-CA 3.19Å; G104-G108 PolarHBondContact O-N 2.97Å
105S83.8Confident83.1Confident47 Ų4762.1 Ų62.133%0.32937%0.371SS..Hα-helixtrans-70.3-33.9175.8-162.10000113.3L101 L102 F103 R109L101-S105 VanDerWaalsContact O-CB 3.25Å; L101-S105 WeakPolarHBondContact O-CB 3.48Å; L101-S105 PolarHBondContact O-N 3.47Å; L102-S105 WeakPolarHBondContact O-CB 3.48Å; L102-S105 PolarHBondContact O-N 3.24Å; F103-S105 VanDerWaalsContact C-N 3.25Å; F103-S105 PolarHBondContact O-N 2.95Å; S105-R109 WeakPolarHBondContact O-CG 3.26Å; S105-R109 PolarHBondContact O-NH1 3.38Å; S105-R109 PolarHBondContact OG-NH1 3.41Å
106I87.6Confident84.1Confident10 Ų1062.6 Ų62.65%0.05137%0.372CS..Hα-helixtrans-73.1-53.3175.6-68.8161.8000109.7N76 H78 T79 V82 L102 F103 G108 R109 A110N76-I106 WeakPolarHBondContact ND2-CA 3.39Å; H78-I106 HydrophobicContact CB-CD1 4.36Å; H78-I106 HydrophobicContact CB-CG1 3.88Å; T79-I106 WeakPolarHBondContact OG1-CG2 3.19Å; V82-I106 HydrophobicContact CG2-CD1 3.92Å; L102-I106 WeakPolarHBondContact O-CG1 3.21Å; L102-I106 PolarHBondContact O-N 3.26Å; F103-I106 PolarHBondContact O-N 3.4Å; F103-I106 VanDerWaalsContact O-N 3.11Å; I106-G108 PolarHBondContact O-N 2.93Å; I106-R109 PolarHBondContact O-N 3.15Å; I106-A110 PolarHBondContact O-N 3.28Å
107M88.1Confident85.3Confident48 Ų4859.8 Ų59.824%0.23635%0.347CS..Hα-helixtrans-63.4-41.7-177.8-64.7-51.5158.800111.9F69 F103 R109 A110 A111F69-M107 HydrophobicContact CE1-SD 4.46Å; F69-M107 HydrophobicContact CE2-SD 3.89Å; F69-M107 HydrophobicContact CZ-CE 4.47Å; F69-M107 HydrophobicContact CZ-SD 3.4Å; F69-M107 WeakPolarHBondContact CZ-SD 3.42Å; F103-M107 HydrophobicContact CD1-CG 3.69Å; F103-M107 HydrophobicContact CD2-CE 3.97Å; F103-M107 HydrophobicContact CD2-CG 4.46Å; F103-M107 HydrophobicContact CE1-CE 4.05Å; F103-M107 HydrophobicContact CE1-CG 3.44Å; F103-M107 VanDerWaalsContact CE1-CG 3.44Å; F103-M107 HydrophobicContact CE1-SD 4.37Å; F103-M107 HydrophobicContact CE2-CE 3.24Å; F103-M107 HydrophobicContact CE2-CG 4.26Å; F103-M107 HydrophobicContact CG-CG 4.21Å; F103-M107 HydrophobicContact CZ-CE 3.3Å; F103-M107 HydrophobicContact CZ-CG 3.76Å; F103-M107 HydrophobicContact CZ-SD 4.12Å; F103-M107 WeakPolarHBondContact O-CB 3.39Å; F103-M107 VanDerWaalsContact O-CG 3.28Å; F103-M107 WeakPolarHBondContact O-CG 3.26Å; F103-M107 PolarHBondContact O-N 2.88Å; M107-R109 VanDerWaalsContact C-N 3.3Å; M107-R109 PolarHBondContact O-N 2.96Å; M107-A110 PolarHBondContact O-N 2.82Å; M107-A111 WeakPolarHBondContact O-CB 3.43Å; M107-A111 PolarHBondContact O-N 3.28Å
108G87.2Confident86.4Confident48 Ų4858 Ų5850%0.49533%0.331SS..Hα-helixtrans-61.6-34.8177.400000113.5G104 I106G104-G108 WeakPolarHBondContact O-CA 3.19Å; G104-G108 PolarHBondContact O-N 2.97Å; I106-G108 PolarHBondContact O-N 2.93Å
109R88.7Confident87.4Confident123 Ų12358.1 Ų58.146%0.46433%0.33SS..Hα-helixtrans-75.8-42.4175.1-70.9-173.5-171.795.7-13112S105 I106 M107 A111S105-R109 WeakPolarHBondContact O-CG 3.26Å; S105-R109 PolarHBondContact O-NH1 3.38Å; S105-R109 PolarHBondContact OG-NH1 3.41Å; I106-R109 PolarHBondContact O-N 3.15Å; M107-R109 VanDerWaalsContact C-N 3.3Å; M107-R109 PolarHBondContact O-N 2.96Å; R109-A111 VanDerWaalsContact C-N 3.29Å; R109-A111 PolarHBondContact O-N 3.33Å
110A91.9Very high88.3Confident2 Ų258.5 Ų58.52%0.01733%0.329CS..Hα-helixtrans-68.9-28.7179.300000112.7F69 V73 I106 M107 V112 P114F69-A110 HydrophobicContact CD2-CB 4.03Å; F69-A110 HydrophobicContact CE2-CB 4Å; V73-A110 HydrophobicContact CG2-CB 3.67Å; I106-A110 PolarHBondContact O-N 3.28Å; M107-A110 PolarHBondContact O-N 2.82Å; A110-V112 VanDerWaalsContact C-N 3.31Å; A110-V112 PolarHBondContact O-N 3.47Å; A110-P114 WeakPolarHBondContact O-CD 3.36Å
111A93.3Very high89.1Confident31 Ų3151.8 Ų51.826%0.25630%0.301SS..THydrogen-bonded Turntrans-76.6-10-177.800000114.5M107 R109 P114 V115M107-A111 WeakPolarHBondContact O-CB 3.43Å; M107-A111 PolarHBondContact O-N 3.28Å; R109-A111 VanDerWaalsContact C-N 3.29Å; R109-A111 PolarHBondContact O-N 3.33Å; A111-P114 VanDerWaalsContact C-CD 3.46Å; A111-P114 WeakPolarHBondContact O-CD 3.22Å; A111-P114 VanDerWaalsContact O-CG 3.27Å; A111-P114 WeakPolarHBondContact O-CG 3.46Å; A111-V115 HydrophobicContact CB-CG2 4.5Å; A111-V115 VanDerWaalsContact O-CB 3.26Å; A111-V115 WeakPolarHBondContact O-CB 3.33Å; A111-V115 WeakPolarHBondContact O-CG2 3.26Å; A111-V115 PolarHBondContact O-N 2.97Å; A111-V115 VanDerWaalsContact O-N 3.1Å
112V91.7Very high89.9Confident90 Ų9046.8 Ų46.855%0.54528%0.275SS..Hα-helixtrans-60.7-57.9-176.8177.90000111.3A110 V115 T116A110-V112 VanDerWaalsContact C-N 3.31Å; A110-V112 PolarHBondContact O-N 3.47Å; V112-V115 PolarHBondContact O-N 2.94Å; V112-T116 PolarHBondContact O-N 2.7Å; V112-T116 PolarHBondContact O-OG1 2.98Å
113A90.4Very high90.4Very high44 Ų4447.5 Ų47.536%0.36428%0.279SS..Hα-helixtrans-59-48.1-179.800000114.4L68 V115 T116 W117L68-A113 HydrophobicContact CB-CB 4.07Å; L68-A113 HydrophobicContact CD1-CB 4.37Å; L68-A113 HydrophobicContact CD2-CB 4.37Å; A113-V115 PolarHBondContact O-N 3.38Å; A113-T116 PolarHBondContact O-N 2.97Å; A113-W117 PolarHBondContact O-N 3.42Å
114P94.4Very high90.9Very high13 Ų1348.1 Ų48.18%0.08428%0.278CS..Hα-helixtrans-66.9-34.7179.325.5-36.5000113.9A65 F69 A110 A111 W117 S118A65-P114 HydrophobicContact CB-CB 3.88Å; A65-P114 VanDerWaalsContact O-CB 3.32Å; A65-P114 WeakPolarHBondContact O-CB 3.27Å; F69-P114 HydrophobicContact CB-CB 4.32Å; F69-P114 HydrophobicContact CB-CG 3.98Å; F69-P114 HydrophobicContact CD2-CG 4.23Å; A110-P114 WeakPolarHBondContact O-CD 3.36Å; A111-P114 VanDerWaalsContact C-CD 3.46Å; A111-P114 WeakPolarHBondContact O-CD 3.22Å; A111-P114 VanDerWaalsContact O-CG 3.27Å; A111-P114 WeakPolarHBondContact O-CG 3.46Å; P114-W117 PolarHBondContact O-N 3.08Å; P114-S118 WeakPolarHBondContact O-CB 3.3Å; P114-S118 PolarHBondContact O-N 2.83Å; P114-S118 PolarHBondContact O-OG 2.94Å
115V94.4Very high91.4Very high43 Ų4346.2 Ų46.226%0.26126%0.258SS..Hα-helixtrans-64.9-46.5173.6168.10000109.8A111 V112 A113 W117 S118 V119 V191A111-V115 HydrophobicContact CB-CG2 4.5Å; A111-V115 VanDerWaalsContact O-CB 3.26Å; A111-V115 WeakPolarHBondContact O-CB 3.33Å; A111-V115 WeakPolarHBondContact O-CG2 3.26Å; A111-V115 PolarHBondContact O-N 2.97Å; A111-V115 VanDerWaalsContact O-N 3.1Å; V112-V115 PolarHBondContact O-N 2.94Å; A113-V115 PolarHBondContact O-N 3.38Å; V115-W117 PolarHBondContact O-N 2.9Å; V115-S118 PolarHBondContact O-N 3.05Å; V115-V119 HydrophobicContact CG1-CG2 4.44Å; V115-V119 WeakPolarHBondContact O-CB 3.32Å; V115-V119 VanDerWaalsContact O-CG2 3.3Å; V115-V119 WeakPolarHBondContact O-CG2 3.14Å; V115-V119 PolarHBondContact O-N 2.95Å; V115-V191 HydrophobicContact CG1-CG1 4.25Å; V115-V191 HydrophobicContact CG1-CG2 3.71Å
116T91.8Very high91.8Very high74 Ų7448.7 Ų48.745%0.45426%0.264SS..Hα-helixtrans-59.1-45.3176.4-59.50000111.8V112 A113 V119 I120V112-T116 PolarHBondContact O-N 2.7Å; V112-T116 PolarHBondContact O-OG1 2.98Å; A113-T116 PolarHBondContact O-N 2.97Å; T116-V119 PolarHBondContact O-N 2.95Å; T116-I120 HydrophobicContact CG2-CD1 3.88Å; T116-I120 VanDerWaalsContact O-CG1 3.31Å; T116-I120 WeakPolarHBondContact O-CG1 3.27Å; T116-I120 PolarHBondContact O-N 3.46Å
117W94.4Very high92Very high67 Ų6748.6 Ų48.625%0.25427%0.265SS..Hα-helixtrans-57.2-52.2174.9172.4-99.4000111.7I61 P64 L68 A113 P114 V115 V119 I120 S121I61-W117 PolarHBondContact O-NE1 2.83Å; I61-W117 VanDerWaalsContact O-NE1 3.11Å; P64-W117 HydrophobicContact CB-CD2 4.19Å; P64-W117 HydrophobicContact CB-CZ2 3.83Å; P64-W117 HydrophobicContact CG-CZ2 3.78Å; L68-W117 HydrophobicContact CD1-CB 3.81Å; L68-W117 HydrophobicContact CD1-CG 4.28Å; A113-W117 PolarHBondContact O-N 3.42Å; P114-W117 PolarHBondContact O-N 3.08Å; V115-W117 PolarHBondContact O-N 2.9Å; W117-V119 VanDerWaalsContact C-N 3.3Å; W117-V119 PolarHBondContact O-N 3.38Å; W117-I120 PolarHBondContact O-N 2.86Å; W117-I120 VanDerWaalsContact O-N 3.09Å; W117-S121 PolarHBondContact O-N 3.32Å; W117-S121 PolarHBondContact O-OG 3.35Å
118S93.7Very high92.3Very high25 Ų2547.8 Ų47.818%0.17526%0.259CS..Hα-helixtrans-59.5-41.5-178.4-55.60000111.8P114 V115 S121 L122P114-S118 WeakPolarHBondContact O-CB 3.3Å; P114-S118 PolarHBondContact O-N 2.83Å; P114-S118 PolarHBondContact O-OG 2.94Å; V115-S118 PolarHBondContact O-N 3.05Å; S118-S121 PolarHBondContact O-N 2.89Å; S118-L122 WeakPolarHBondContact O-CB 3.14Å; S118-L122 VanDerWaalsContact O-CG 3.25Å; S118-L122 WeakPolarHBondContact O-CG 3.39Å; S118-L122 PolarHBondContact O-N 2.82Å
119V93.4Very high92.6Very high16 Ų1645.9 Ų45.910%0.09724%0.238CC..Hα-helixtrans-59.8-49.6173.9166.60000111V115 T116 W117 S121 L122 L123 L187 I188V115-V119 HydrophobicContact CG1-CG2 4.44Å; V115-V119 WeakPolarHBondContact O-CB 3.32Å; V115-V119 VanDerWaalsContact O-CG2 3.3Å; V115-V119 WeakPolarHBondContact O-CG2 3.14Å; V115-V119 PolarHBondContact O-N 2.95Å; T116-V119 PolarHBondContact O-N 2.95Å; W117-V119 VanDerWaalsContact C-N 3.3Å; W117-V119 PolarHBondContact O-N 3.38Å; V119-S121 VanDerWaalsContact C-N 3.34Å; V119-S121 PolarHBondContact O-N 2.85Å; V119-L122 PolarHBondContact O-N 3.31Å; V119-L123 HydrophobicContact CG1-CD1 3.85Å; V119-L123 HydrophobicContact CG1-CG 4.33Å; V119-L123 WeakPolarHBondContact O-CB 3.29Å; V119-L123 VanDerWaalsContact O-CG 3.29Å; V119-L123 WeakPolarHBondContact O-CG 3.47Å; V119-L123 PolarHBondContact O-N 3.27Å; V119-L187 HydrophobicContact CG2-CB 4.37Å; V119-L187 HydrophobicContact CG2-CD2 3.71Å; V119-L187 HydrophobicContact CG2-CG 3.95Å; V119-I188 HydrophobicContact CB-CG1 4.43Å; V119-I188 HydrophobicContact CG1-CD1 3.55Å; V119-I188 HydrophobicContact CG1-CG1 3.54Å; V119-I188 HydrophobicContact CG2-CG1 3.93Å
120I92.1Very high92.9Very high71 Ų7140 Ų4036%0.36422%0.216SC..Hα-helixtrans-61.2-44.9179.7-68.6167.4000110.5T116 W117 L122 L123 R124T116-I120 HydrophobicContact CG2-CD1 3.88Å; T116-I120 VanDerWaalsContact O-CG1 3.31Å; T116-I120 WeakPolarHBondContact O-CG1 3.27Å; T116-I120 PolarHBondContact O-N 3.46Å; W117-I120 PolarHBondContact O-N 2.86Å; W117-I120 VanDerWaalsContact O-N 3.09Å; I120-L122 PolarHBondContact O-N 3.15Å; I120-L123 PolarHBondContact O-N 3.37Å; I120-R124 WeakPolarHBondContact O-CG 3.42Å; I120-R124 PolarHBondContact O-N 3.3Å
121S92.7Very high93Very high12 Ų1240.3 Ų40.38%0.08422%0.218CC..Hα-helixtrans-62.3-41.5178.1-60.90000112.5W117 S118 V119 G125W117-S121 PolarHBondContact O-N 3.32Å; W117-S121 PolarHBondContact O-OG 3.35Å; S118-S121 PolarHBondContact O-N 2.89Å; V119-S121 VanDerWaalsContact C-N 3.34Å; V119-S121 PolarHBondContact O-N 2.85Å; S121-G125 PolarHBondContact O-N 3.37Å
122L93.8Very high93.1Very high24 Ų2441 Ų4113%0.12622%0.217CC..Hα-helixtrans-68.1-39.6176.2-74.6169.8000112.5S118 V119 I120 G125 Y128 S180 F183 L187S118-L122 WeakPolarHBondContact O-CB 3.14Å; S118-L122 VanDerWaalsContact O-CG 3.25Å; S118-L122 WeakPolarHBondContact O-CG 3.39Å; S118-L122 PolarHBondContact O-N 2.82Å; V119-L122 PolarHBondContact O-N 3.31Å; I120-L122 PolarHBondContact O-N 3.15Å; L122-G125 PolarHBondContact O-N 2.86Å; L122-Y128 HydrophobicContact CD2-CD2 3.95Å; L122-S180 CarbonylContact O-C 3.52Å; L122-S180 WeakPolarHBondContact O-CB 3.5Å; L122-S180 PolarHBondContact O-OG 3.34Å; L122-F183 HydrophobicContact CD1-CB 4.46Å; L122-L187 HydrophobicContact CD1-CD2 4.14Å
123L92Very high93.1Very high50 Ų5036.7 Ų36.726%0.26219%0.191SC..Hα-helixtrans-69.2-34.5177.6-69.8177.8000112.4V119 I120 Q181 W185 I188V119-L123 HydrophobicContact CG1-CD1 3.85Å; V119-L123 HydrophobicContact CG1-CG 4.33Å; V119-L123 WeakPolarHBondContact O-CB 3.29Å; V119-L123 VanDerWaalsContact O-CG 3.29Å; V119-L123 WeakPolarHBondContact O-CG 3.47Å; V119-L123 PolarHBondContact O-N 3.27Å; I120-L123 PolarHBondContact O-N 3.37Å; L123-Q181 WeakPolarHBondContact O-CG 3.39Å; L123-Q181 PolarHBondContact O-NE2 3.47Å; L123-W185 HydrophobicContact CD2-CD2 4.47Å; L123-W185 HydrophobicContact CD2-CG 4.39Å; L123-I188 HydrophobicContact CD1-CD1 4.19Å
124R91.5Very high93Very high132 Ų13235.7 Ų35.750%0.49818%0.179SC..Hα-helixtrans-64.6-43.4169.1-73.5-179.2-178.8-172.5-0.5111.3I120 E126I120-R124 WeakPolarHBondContact O-CG 3.42Å; I120-R124 PolarHBondContact O-N 3.3Å; R124-E126 PolarHBondContact O-N 3.41Å
125G91.8Very high92.8Very high0 Ų040.8 Ų40.80%020%0.2CC..  trans76.9-5.2172.400000116.2S121 L122 Y128 I129 S180S121-G125 PolarHBondContact O-N 3.37Å; L122-G125 PolarHBondContact O-N 2.86Å; G125-Y128 PolarHBondContact O-N 3.1Å; G125-I129 WeakPolarHBondContact O-CB 3.46Å; G125-I129 WeakPolarHBondContact O-CD1 3Å; G125-I129 WeakPolarHBondContact O-CG1 3.49Å; G125-I129 PolarHBondContact O-N 3Å; G125-S180 WeakPolarHBondContact CA-OG 3.06Å
126E92.1Very high92.6Very high99 Ų9939.4 Ų39.446%0.46319%0.192SC..Hα-helixtrans-62.5-47-178.4-63176.3168.700112.5F44 R124 I129 C130F44-E126 HydrophobicContact CD1-CB 3.97Å; F44-E126 HydrophobicContact CE1-CB 4.32Å; R124-E126 PolarHBondContact O-N 3.41Å; E126-I129 PolarHBondContact O-N 3.43Å; E126-C130 WeakPolarHBondContact O-CB 3.37Å; E126-C130 PolarHBondContact O-N 2.95Å
127A92.2Very high92.4Very high8 Ų843 Ų437%0.06620%0.201CC..Hα-helixtrans-67.8-35.6178.600000112.6F44 A60 I61 A131F44-A127 HydrophobicContact CD2-CB 4.4Å; F44-A127 HydrophobicContact CE1-CB 4.42Å; F44-A127 HydrophobicContact CE2-CB 3.91Å; F44-A127 HydrophobicContact CZ-CB 3.95Å; A60-A127 HydrophobicContact CB-CB 4.5Å; I61-A127 HydrophobicContact CD1-CB 3.84Å; I61-A127 HydrophobicContact CG1-CB 3.65Å; A127-A131 VanDerWaalsContact O-CB 3.31Å; A127-A131 WeakPolarHBondContact O-CB 3.46Å; A127-A131 PolarHBondContact O-N 3.41Å
128Y94.8Very high91.9Very high31 Ų3142.1 Ų42.112%0.12220%0.204CC..Hα-helixtrans-67.9-45.4175.6-172.6-84000111.5L122 G125 C130 A131 L132 L176 E179 S180 F183L122-Y128 HydrophobicContact CD2-CD2 3.95Å; G125-Y128 PolarHBondContact O-N 3.1Å; Y128-C130 PolarHBondContact O-N 2.84Å; Y128-A131 PolarHBondContact O-N 3.03Å; Y128-L132 HydrophobicContact CD1-CD1 3.81Å; Y128-L132 HydrophobicContact CD2-CD1 3.9Å; Y128-L132 HydrophobicContact CE1-CD1 3.31Å; Y128-L132 HydrophobicContact CE2-CD1 3.4Å; Y128-L132 VanDerWaalsContact CE2-CD1 3.4Å; Y128-L132 HydrophobicContact CG-CD1 4.08Å; Y128-L132 WeakPolarHBondContact O-CB 3.45Å; Y128-L132 PolarHBondContact O-N 3.46Å; Y128-L132 WeakPolarHBondContact OH-CD1 3.4Å; Y128-L176 WeakPolarHBondContact CD1-O 3.49Å; Y128-L176 HydrophobicContact CE1-CD2 4.28Å; Y128-E179 HydrophobicContact CE1-CB 3.95Å; Y128-S180 WeakPolarHBondContact CB-OG 3.04Å; Y128-F183 AromaticContact CE2-CD2 3.89Å; Y128-F183 HydrophobicContact CE2-CD2 3.89Å; Y128-F183 HydrophobicContact CE2-CE2 4.26Å; Y128-F183 AromaticContact CZ-CD2 3.99Å; Y128-F183 VanDerWaalsContact OH-CE2 3.3Å; Y128-F183 WeakPolarHBondContact OH-CE2 3.3Å
129I94.6Very high91.3Very high8 Ų847.3 Ų47.34%0.04124%0.235CC..Hα-helixtrans-58.7-49.2174.4-68.5161.3000109.6G125 E126 A131 L132 S133 P157 T173 L176 R177G125-I129 WeakPolarHBondContact O-CB 3.46Å; G125-I129 WeakPolarHBondContact O-CD1 3Å; G125-I129 WeakPolarHBondContact O-CG1 3.49Å; G125-I129 PolarHBondContact O-N 3Å; E126-I129 PolarHBondContact O-N 3.43Å; I129-A131 VanDerWaalsContact C-N 3.35Å; I129-A131 PolarHBondContact O-N 3.38Å; I129-L132 PolarHBondContact O-N 2.88Å; I129-S133 WeakPolarHBondContact O-CB 3.43Å; I129-S133 PolarHBondContact O-N 3.49Å; I129-S133 PolarHBondContact O-OG 3Å; I129-P157 HydrophobicContact CG2-CG 4.28Å; I129-T173 HydrophobicContact CD1-CG2 3.93Å; I129-L176 HydrophobicContact CG1-CB 3.86Å; I129-R177 HydrophobicContact CD1-CB 3.91Å
130C94Very high90.9Very high0 Ų049.3 Ų49.30%025%0.25CC..Hα-helixtrans-56.2-48.9176.7-177.60000111.5F44 C46 N53 E126 Y128 L132F44-C130 HydrophobicContact CE1-CB 3.72Å; F44-C130 HydrophobicContact CZ-CB 3.57Å; C46-C130 VanDerWaalsContact CA-SG 3.58Å; C46-C130 HydrophobicContact CB-CB 3.79Å; C46-C130 WeakPolarHBondContact CB-SG 3.44Å; C46-C130 WeakPolarHBondContact SG-CB 3.14Å; C46-C130 CovalentContact SG-SG 2.04Å; C46-C130 PolarHBondContact SG-SG 3.47Å; N53-C130 WeakPolarHBondContact CB-O 3.3Å; E126-C130 WeakPolarHBondContact O-CB 3.37Å; E126-C130 PolarHBondContact O-N 2.95Å; Y128-C130 PolarHBondContact O-N 2.84Å; C130-L132 VanDerWaalsContact C-N 3.34Å; C130-L132 PolarHBondContact O-N 2.91Å
131A94.4Very high90.5Very high8 Ų846.5 Ų46.57%0.06624%0.235CC..Hα-helixtrans-66-32.3-17600000114.3Y54 A127 Y128 I129Y54-A131 HydrophobicContact CD2-CB 4.48Å; A127-A131 VanDerWaalsContact O-CB 3.31Å; A127-A131 WeakPolarHBondContact O-CB 3.46Å; A127-A131 PolarHBondContact O-N 3.41Å; Y128-A131 PolarHBondContact O-N 3.03Å; I129-A131 VanDerWaalsContact C-N 3.35Å; I129-A131 PolarHBondContact O-N 3.38Å
132L94.5Very high90.1Very high46 Ų4651.6 Ų51.624%0.24126%0.262CS..Hα-helixtrans-110.7-6.7-169-72.6165.8000115.3Y128 I129 C130 E134 F135 L176Y128-L132 HydrophobicContact CD1-CD1 3.81Å; Y128-L132 HydrophobicContact CD2-CD1 3.9Å; Y128-L132 HydrophobicContact CE1-CD1 3.31Å; Y128-L132 HydrophobicContact CE2-CD1 3.4Å; Y128-L132 VanDerWaalsContact CE2-CD1 3.4Å; Y128-L132 HydrophobicContact CG-CD1 4.08Å; Y128-L132 WeakPolarHBondContact O-CB 3.45Å; Y128-L132 PolarHBondContact O-N 3.46Å; Y128-L132 WeakPolarHBondContact OH-CD1 3.4Å; I129-L132 PolarHBondContact O-N 2.88Å; C130-L132 VanDerWaalsContact C-N 3.34Å; C130-L132 PolarHBondContact O-N 2.91Å; L132-E134 VanDerWaalsContact C-N 3.25Å; L132-E134 PolarHBondContact O-N 2.95Å; L132-F135 HydrophobicContact CD2-CD2 3.98Å; L132-F135 PolarHBondContact O-N 3.16Å; L132-L176 HydrophobicContact CB-CD2 4Å
133S91.2Very high89.6Confident0 Ų058.8 Ų58.80%029%0.292CS..G310 helixtrans-56.3-39.7-179.6-69.40000112.6I129 F135 V136 L153 P157I129-S133 WeakPolarHBondContact O-CB 3.43Å; I129-S133 PolarHBondContact O-N 3.49Å; I129-S133 PolarHBondContact O-OG 3Å; S133-F135 VanDerWaalsContact C-N 3.28Å; S133-F135 PolarHBondContact O-N 3.18Å; S133-V136 PolarHBondContact O-N 3.38Å; S133-L153 WeakPolarHBondContact CB-O 3.49Å; S133-L153 WeakPolarHBondContact O-CB 3.28Å; S133-P157 WeakPolarHBondContact OG-CG 3.43Å
134E89.4Confident89.2Confident23 Ų2357.6 Ų57.611%0.10729%0.285CS..G310 helixtrans-69.6-20.2-179.868.4-177.8144.200114.6P50 A51 Y54 L132 A154P50-E134 WeakPolarHBondContact CA-OE2 3.2Å; A51-E134 PolarHBondContact N-OE2 3.15Å; Y54-E134 VanDerWaalsContact CB-OE1 3.3Å; Y54-E134 WeakPolarHBondContact CB-OE1 3.31Å; Y54-E134 PolarHBondContact N-OE1 2.94Å; L132-E134 VanDerWaalsContact C-N 3.25Å; L132-E134 PolarHBondContact O-N 2.95Å; E134-A154 HydrophobicContact CB-CB 4Å
135F90.5Very high88.9Confident120 Ų12053 Ų5353%0.52627%0.272SS..G310 helixtrans-93.2-2.6-177-63.6-74.9000113.7Y54 L132 S133 K137Y54-F135 AromaticContact CD2-CE2 3.74Å; Y54-F135 HydrophobicContact CD2-CE2 3.74Å; Y54-F135 HydrophobicContact CD2-CZ 4.34Å; Y54-F135 AromaticContact CG-CE2 3.99Å; Y54-F135 HydrophobicContact CG-CE2 3.99Å; Y54-F135 HydrophobicContact CG-CZ 4.31Å; L132-F135 HydrophobicContact CD2-CD2 3.98Å; L132-F135 PolarHBondContact O-N 3.16Å; S133-F135 VanDerWaalsContact C-N 3.28Å; S133-F135 PolarHBondContact O-N 3.18Å; F135-K137 PolarHBondContact O-N 3.41Å
136V90.3Very high88.3Confident13 Ų1358.2 Ų58.28%0.07932%0.315CS..SBendtrans-68129.1175.1179.20000109S133 P138 L153 V172 L176S133-V136 PolarHBondContact O-N 3.38Å; V136-P138 WeakPolarHBondContact O-CD 3.3Å; V136-L153 HydrophobicContact CB-CD1 4.41Å; V136-L153 WeakPolarHBondContact O-CD1 3.4Å; V136-V172 HydrophobicContact CG1-CG2 4.18Å; V136-V172 HydrophobicContact CG2-CG1 3.96Å; V136-L176 HydrophobicContact CG2-CD1 4.06Å; V136-L176 HydrophobicContact CG2-CD2 4.12Å; V136-L176 HydrophobicContact CG2-CG 4.3Å
137K86.1Confident87.9Confident151 Ų15160.1 Ų60.166%0.65732%0.324SS*.  trans-75.4125179.8-68.1-178.9-179177.40110F135 T139 S140F135-K137 PolarHBondContact O-N 3.41Å; K137-T139 PolarHBondContact O-N 2.95Å; K137-S140 WeakPolarHBondContact O-CB 3.3Å; K137-S140 PolarHBondContact O-N 3.27Å; K137-S140 PolarHBondContact O-OG 2.85Å
138P83.9Confident87.4Confident47 Ų4763 Ų6331%0.30533%0.333SS..G310 helixtrans-55.7-34.5175.3-26.934.6000113.2V136 S140 L141 F144 L153V136-P138 WeakPolarHBondContact O-CD 3.3Å; P138-S140 PolarHBondContact O-N 3.35Å; P138-S140 VanDerWaalsContact O-N 3.17Å; P138-L141 WeakPolarHBondContact O-CB 3.4Å; P138-L141 PolarHBondContact O-N 3.29Å; P138-F144 HydrophobicContact CB-CD1 3.68Å; P138-F144 HydrophobicContact CB-CE1 3.99Å; P138-F144 HydrophobicContact CB-CG 4.4Å; P138-F144 HydrophobicContact CG-CE1 4.45Å; P138-L153 HydrophobicContact CG-CD1 4.02Å
139T81.9Confident86.9Confident134 Ų13463 Ų6382%0.82234%0.343SS*.G310 helixtrans-65.6-15.9177.859.10000114.2K137 L141K137-T139 PolarHBondContact O-N 2.95Å; T139-L141 VanDerWaalsContact C-N 3.29Å
140S84.8Confident86Confident59 Ų5965.2 Ų65.241%0.41336%0.362SS..G310 helixtrans-83.7-6174.570.90000113.3K137 P138 R175K137-S140 WeakPolarHBondContact O-CB 3.3Å; K137-S140 PolarHBondContact O-N 3.27Å; K137-S140 PolarHBondContact O-OG 2.85Å; P138-S140 PolarHBondContact O-N 3.35Å; P138-S140 VanDerWaalsContact O-N 3.17Å; S140-R175 PolarHBondContact OG-NH1 2.88Å
141L84.4Confident85.5Confident11 Ų1171.4 Ų71.46%0.05839%0.391CS..SBendtrans-105.4124.1179-62172.5000109.4P138 T139 K143 F144 L153 F168 E171 V172P138-L141 WeakPolarHBondContact O-CB 3.4Å; P138-L141 PolarHBondContact O-N 3.29Å; T139-L141 VanDerWaalsContact C-N 3.29Å; L141-K143 PolarHBondContact O-N 3.45Å; L141-F144 HydrophobicContact CB-CB 3.95Å; L141-F144 HydrophobicContact CB-CD2 4.31Å; L141-F144 HydrophobicContact CB-CG 4.42Å; L141-F144 HydrophobicContact CD1-CD2 3.74Å; L141-F144 HydrophobicContact CD1-CE2 4.09Å; L141-F144 HydrophobicContact CD1-CG 4.36Å; L141-F144 PolarHBondContact O-N 3.01Å; L141-L153 HydrophobicContact CD1-CD2 4.29Å; L141-F168 HydrophobicContact CB-CD1 4.19Å; L141-F168 HydrophobicContact CB-CE1 4.42Å; L141-F168 HydrophobicContact CD1-CD1 4.43Å; L141-E171 HydrophobicContact CD2-CG 4.42Å; L141-V172 HydrophobicContact CD1-CG2 3.76Å; L141-V172 HydrophobicContact CD2-CG2 3.8Å; L141-V172 HydrophobicContact CG-CG2 4.38Å
142D83.2Confident85.1Confident120 Ų12071.7 Ų71.764%0.64239%0.394SS*.THydrogen-bonded Turntrans-66.7123.5-178-176.534.5000111.2F144 F168D142-F144 VanDerWaalsContact C-N 3.3Å; D142-F144 PolarHBondContact O-N 3.48Å; D142-F168 VanDerWaalsContact O-CE1 3.26Å; D142-F168 WeakPolarHBondContact O-CE1 3.48Å
143K83.9Confident84.8Confident175 Ų17569.5 Ų69.576%0.76138%0.382SS*.THydrogen-bonded Turntrans59.832.8-179.9-56168.3-173.1174.80114.5L141 F168L141-K143 PolarHBondContact O-N 3.45Å; K143-F168 WeakPolarHBondContact O-CZ 3.14Å
144F84.6Confident84.6Confident25 Ų2569.5 Ų69.511%0.1138%0.382CS..  trans-63133.2172.5-168.2-101.6000111.1P138 L141 D142 A146 Y148 L153 F156 L165 F168P138-F144 HydrophobicContact CB-CD1 3.68Å; P138-F144 HydrophobicContact CB-CE1 3.99Å; P138-F144 HydrophobicContact CB-CG 4.4Å; P138-F144 HydrophobicContact CG-CE1 4.45Å; L141-F144 HydrophobicContact CB-CB 3.95Å; L141-F144 HydrophobicContact CB-CD2 4.31Å; L141-F144 HydrophobicContact CB-CG 4.42Å; L141-F144 HydrophobicContact CD1-CD2 3.74Å; L141-F144 HydrophobicContact CD1-CE2 4.09Å; L141-F144 HydrophobicContact CD1-CG 4.36Å; L141-F144 PolarHBondContact O-N 3.01Å; D142-F144 VanDerWaalsContact C-N 3.3Å; D142-F144 PolarHBondContact O-N 3.48Å; F144-A146 PolarHBondContact O-N 3.31Å; F144-Y148 WeakPolarHBondContact CE1-O 3.17Å; F144-L153 HydrophobicContact CE2-CD2 4.29Å; F144-L153 HydrophobicContact CZ-CD2 4.14Å; F144-F156 HydrophobicContact CE2-CZ 4.1Å; F144-L165 HydrophobicContact CE2-CD2 3.89Å; F144-L165 HydrophobicContact CZ-CD2 4.29Å; F144-F168 HydrophobicContact CB-CE1 4.41Å; F144-F168 HydrophobicContact CD2-CB 4.29Å; F144-F168 AromaticContact CD2-CD1 3.89Å; F144-F168 HydrophobicContact CD2-CD1 3.89Å; F144-F168 HydrophobicContact CD2-CD2 4.18Å; F144-F168 HydrophobicContact CD2-CE1 4.23Å; F144-F168 AromaticContact CD2-CG 3.86Å; F144-F168 HydrophobicContact CD2-CG 3.86Å; F144-F168 HydrophobicContact CE2-CB 4.26Å; F144-F168 HydrophobicContact CE2-CG 4.24Å
145P83.6Confident84.6Confident35 Ų3574.9 Ų74.923%0.22740%0.401CS..  trans-65.8129.3-177.5-14.226.4000111.2E147 Y148 L165P145-E147 HydrophobicContact CB-CG 3.92Å; P145-E147 PolarHBondContact O-N 2.84Å; P145-Y148 HydrophobicContact CB-CD2 3.81Å; P145-Y148 HydrophobicContact CB-CE2 4.18Å; P145-Y148 HydrophobicContact CG-CD2 3.98Å; P145-Y148 HydrophobicContact CG-CE2 4.28Å; P145-Y148 PolarHBondContact O-N 3.35Å; P145-Y148 VanDerWaalsContact O-N 3.16Å; P145-L165 HydrophobicContact CG-CD2 4.17Å
146A80.6Confident84.6Confident109 Ų10969.2 Ų69.290%0.90138%0.376SS*.THydrogen-bonded Turntrans-67.2-15.6-177.500000114F144 Y148F144-A146 PolarHBondContact O-N 3.31Å; A146-Y148 VanDerWaalsContact C-N 3.26Å; A146-Y148 PolarHBondContact O-N 2.89Å
147E82.4Confident84.5Confident140 Ų14070.2 Ų70.265%0.65438%0.383SS*.THydrogen-bonded Turntrans-70.9-21.2175.362.2-178.1-17100113.1P145P145-E147 HydrophobicContact CB-CG 3.92Å; P145-E147 PolarHBondContact O-N 2.84Å
148Y82.6Confident84.6Confident68 Ų6864.6 Ų64.627%0.26736%0.363SS..  trans-105146.6178.5-59.8-67.5000110.9F144 P145 A146 A152 N164 L165F144-Y148 WeakPolarHBondContact CE1-O 3.17Å; P145-Y148 HydrophobicContact CB-CD2 3.81Å; P145-Y148 HydrophobicContact CB-CE2 4.18Å; P145-Y148 HydrophobicContact CG-CD2 3.98Å; P145-Y148 HydrophobicContact CG-CE2 4.28Å; P145-Y148 PolarHBondContact O-N 3.35Å; P145-Y148 VanDerWaalsContact O-N 3.16Å; A146-Y148 VanDerWaalsContact C-N 3.26Å; A146-Y148 PolarHBondContact O-N 2.89Å; Y148-A152 HydrophobicContact CD1-CB 3.93Å; Y148-A152 HydrophobicContact CG-CB 4.11Å; Y148-N164 PolarHBondContact OH-ND2 2.74Å; Y148-L165 HydrophobicContact CD1-CD1 3.99Å; Y148-L165 HydrophobicContact CD2-CD1 3.78Å; Y148-L165 HydrophobicContact CD2-CD2 3.75Å; Y148-L165 HydrophobicContact CD2-CG 4.08Å; Y148-L165 HydrophobicContact CE1-CD1 4.13Å; Y148-L165 HydrophobicContact CE2-CD1 3.95Å; Y148-L165 HydrophobicContact CE2-CD2 4.17Å; Y148-L165 HydrophobicContact CE2-CG 4.11Å; Y148-L165 HydrophobicContact CG-CD1 3.85Å; Y148-L165 HydrophobicContact CG-CD2 4.39Å
149G82.9Confident84.3Confident32 Ų3272 Ų7233%0.3339%0.39SS..  trans-133.4-151.517900000112.6E151 A152 L153G149-E151 PolarHBondContact O-N 3.36Å; G149-A152 PolarHBondContact O-N 2.88Å; G149-A152 VanDerWaalsContact O-N 3.14Å; G149-L153 PolarHBondContact O-N 3.35Å
150A76.9Confident84.1Confident53 Ų5372.3 Ų72.344%0.43839%0.387SS..Hα-helixtrans-58.2-32.7179.800000113.4A152 L153 A154A150-A152 VanDerWaalsContact C-N 3.33Å; A150-A152 PolarHBondContact O-N 3.12Å; A150-L153 PolarHBondContact O-N 3.5Å; A150-A154 PolarHBondContact O-N 2.89Å
151E83.8Confident84.1Confident131 Ų13171 Ų7161%0.61238%0.375SS*.Hα-helixtrans-63.9-36.7177.7-60.4-175.1174.600112.9P50 G149P50-E151 HydrophobicContact CG-CG 4.35Å; G149-E151 PolarHBondContact O-N 3.36Å
152A86.1Confident84Confident14 Ų1473.6 Ų73.612%0.11639%0.392CS..Hα-helixtrans-71.1-40.4175.900000110.8Y148 G149 A150 A154 R155 F156 L165Y148-A152 HydrophobicContact CD1-CB 3.93Å; Y148-A152 HydrophobicContact CG-CB 4.11Å; G149-A152 PolarHBondContact O-N 2.88Å; G149-A152 VanDerWaalsContact O-N 3.14Å; A150-A152 VanDerWaalsContact C-N 3.33Å; A150-A152 PolarHBondContact O-N 3.12Å; A152-A154 VanDerWaalsContact C-N 3.32Å; A152-A154 PolarHBondContact O-N 2.92Å; A152-R155 PolarHBondContact O-N 3.49Å; A152-F156 WeakPolarHBondContact O-CD1 3.39Å; A152-F156 WeakPolarHBondContact O-CE1 3.27Å; A152-L165 HydrophobicContact CB-CD1 4.38Å
153L87Confident84Confident0 Ų072.1 Ų72.10%040%0.397CS..Hα-helixtrans-63.4-37.6176.3-64.2173.8000111.9S133 V136 P138 L141 F144 G149 A150 R155 F156S133-L153 WeakPolarHBondContact CB-O 3.49Å; S133-L153 WeakPolarHBondContact O-CB 3.28Å; V136-L153 HydrophobicContact CB-CD1 4.41Å; V136-L153 WeakPolarHBondContact O-CD1 3.4Å; P138-L153 HydrophobicContact CG-CD1 4.02Å; L141-L153 HydrophobicContact CD1-CD2 4.29Å; F144-L153 HydrophobicContact CE2-CD2 4.29Å; F144-L153 HydrophobicContact CZ-CD2 4.14Å; G149-L153 PolarHBondContact O-N 3.35Å; A150-L153 PolarHBondContact O-N 3.5Å; L153-R155 PolarHBondContact O-N 3.31Å; L153-R155 VanDerWaalsContact O-N 3.13Å; L153-F156 HydrophobicContact CD2-CD2 3.84Å; L153-F156 HydrophobicContact CD2-CE1 4.39Å; L153-F156 HydrophobicContact CD2-CE2 3.35Å; L153-F156 HydrophobicContact CD2-CZ 3.67Å; L153-F156 VanDerWaalsContact O-CB 3.29Å; L153-F156 WeakPolarHBondContact O-CB 3.36Å; L153-F156 PolarHBondContact O-N 3.46Å
154A87.9Confident84.1Confident0 Ų067.5 Ų67.50%038%0.38CS..Hα-helixtrans-59.2-23.4173.600000112.9C48 P50 N53 E134 A150 A152 P157C48-A154 WeakPolarHBondContact CA-O 3.32Å; P50-A154 HydrophobicContact CB-CB 4.36Å; N53-A154 PolarHBondContact ND2-O 3.36Å; E134-A154 HydrophobicContact CB-CB 4Å; A150-A154 PolarHBondContact O-N 2.89Å; A152-A154 VanDerWaalsContact C-N 3.32Å; A152-A154 PolarHBondContact O-N 2.92Å; A154-P157 WeakPolarHBondContact O-CD 3.5Å
155R89.8Confident84.1Confident136 Ų13666.4 Ų66.451%0.51338%0.376SS..THydrogen-bonded Turntrans-89.3-8.4177.6-66-179.9-178.3155.54.6114.1C48 A152 L153 P157 C158 I161C48-R155 HydrophobicContact CB-CG 4.43Å; C48-R155 WeakPolarHBondContact O-CG 3.43Å; A152-R155 PolarHBondContact O-N 3.49Å; L153-R155 PolarHBondContact O-N 3.31Å; L153-R155 VanDerWaalsContact O-N 3.13Å; R155-P157 VanDerWaalsContact C-N 3.34Å; R155-C158 WeakPolarHBondContact O-CA 3.31Å; R155-C158 WeakPolarHBondContact O-CB 3.23Å; R155-C158 PolarHBondContact O-N 3.09Å; R155-I161 WeakPolarHBondContact O-CD1 3.43Å
156F90.4Very high84.3Confident0 Ų067.8 Ų67.80%038%0.384CS..THydrogen-bonded Turntrans-56.7-33.1-179-75.811.8000116.1F144 A152 L153 C158 I161 L165 F168 R169 V172F144-F156 HydrophobicContact CE2-CZ 4.1Å; A152-F156 WeakPolarHBondContact O-CD1 3.39Å; A152-F156 WeakPolarHBondContact O-CE1 3.27Å; L153-F156 HydrophobicContact CD2-CD2 3.84Å; L153-F156 HydrophobicContact CD2-CE1 4.39Å; L153-F156 HydrophobicContact CD2-CE2 3.35Å; L153-F156 HydrophobicContact CD2-CZ 3.67Å; L153-F156 VanDerWaalsContact O-CB 3.29Å; L153-F156 WeakPolarHBondContact O-CB 3.36Å; L153-F156 PolarHBondContact O-N 3.46Å; F156-C158 PolarHBondContact O-N 3.32Å; F156-I161 HydrophobicContact CD1-CD1 4.04Å; F156-I161 HydrophobicContact CE1-CG2 4.47Å; F156-L165 HydrophobicContact CE1-CB 4.42Å; F156-L165 HydrophobicContact CE1-CD1 4.41Å; F156-F168 HydrophobicContact CE2-CB 4.18Å; F156-F168 HydrophobicContact CZ-CB 4.15Å; F156-R169 HydrophobicContact CB-CB 4.45Å; F156-R169 HydrophobicContact CB-CG 4.02Å; F156-R169 HydrophobicContact CD1-CB 4.26Å; F156-R169 HydrophobicContact CD2-CB 4.11Å; F156-R169 HydrophobicContact CE2-CB 4.33Å; F156-R169 HydrophobicContact CG-CB 4.05Å; F156-R169 HydrophobicContact CG-CG 4.16Å; F156-R169 VanDerWaalsContact O-CG 3.31Å; F156-R169 WeakPolarHBondContact O-CG 3.19Å; F156-R169 PolarHBondContact O-NE 3.46Å; F156-V172 HydrophobicContact CD2-CB 3.86Å; F156-V172 HydrophobicContact CD2-CG1 4Å; F156-V172 HydrophobicContact CD2-CG2 4.06Å; F156-V172 HydrophobicContact CE2-CB 4.2Å; F156-V172 HydrophobicContact CE2-CG2 3.91Å
157P88.4Confident84.7Confident34 Ų3470.3 Ų70.322%0.22137%0.374CS..THydrogen-bonded Turntrans-65.4-20.5172.3-21.233000114C46 I129 S133 A154 R155C46-P157 HydrophobicContact CB-CB 4.02Å; I129-P157 HydrophobicContact CG2-CG 4.28Å; S133-P157 WeakPolarHBondContact OG-CG 3.43Å; A154-P157 WeakPolarHBondContact O-CD 3.5Å; R155-P157 VanDerWaalsContact C-N 3.34Å
158C88.3Confident85Confident34 Ų3464.7 Ų64.723%0.2335%0.348CS..SBendtrans-92.1166.1-178.9-790000113.2C48 R155 F156 I161C48-C158 HydrophobicContact CB-CB 3.82Å; C48-C158 WeakPolarHBondContact CB-SG 3.18Å; C48-C158 WeakPolarHBondContact SG-CB 3.34Å; C48-C158 PolarHBondContact SG-N 3.11Å; C48-C158 CovalentContact SG-SG 1.99Å; C48-C158 PolarHBondContact SG-SG 3.16Å; R155-C158 WeakPolarHBondContact O-CA 3.31Å; R155-C158 WeakPolarHBondContact O-CB 3.23Å; R155-C158 PolarHBondContact O-N 3.09Å; F156-C158 PolarHBondContact O-N 3.32Å; C158-I161 WeakPolarHBondContact O-CD1 3.31Å
159K77.6Confident85.4Confident201 Ų20165 Ų6587%0.87435%0.349SS*.SBendtrans-82.5-18.1-179-66.1-179-179.7176.40113.3I161K159-I161 PolarHBondContact O-N 2.87Å
160D77.7Confident85.8Confident142 Ų14267.5 Ų67.576%0.75935%0.354SS*.  trans-9577.4-170.3-53.7-43.9000111.9
161I83.6Confident86.5Confident31 Ų3168.6 Ų68.616%0.15935%0.35CS..  trans-132.3138.9-177.8-53.6165.4000109R155 F156 C158 K159 L165 R169R155-I161 WeakPolarHBondContact O-CD1 3.43Å; F156-I161 HydrophobicContact CD1-CD1 4.04Å; F156-I161 HydrophobicContact CE1-CG2 4.47Å; C158-I161 WeakPolarHBondContact O-CD1 3.31Å; K159-I161 PolarHBondContact O-N 2.87Å; I161-L165 HydrophobicContact CG2-CB 3.6Å; I161-L165 HydrophobicContact CG2-CD1 4.21Å; I161-R169 HydrophobicContact CD1-CB 4.14Å; I161-R169 HydrophobicContact CD1-CG 3.68Å
162P83.9Confident86.9Confident66 Ų6662.4 Ų62.443%0.42932%0.321SS..  trans-61.9147.1177.225.1-33.7000112.2N164 L165P162-N164 VanDerWaalsContact CB-OD1 3.23Å; P162-N164 WeakPolarHBondContact CB-OD1 3.3Å; P162-N164 WeakPolarHBondContact CG-OD1 3.1Å; P162-N164 PolarHBondContact O-N 2.9Å; P162-N164 VanDerWaalsContact O-N 3.09Å; P162-N164 PolarHBondContact O-OD1 3.45Å; P162-L165 HydrophobicContact CG-CD1 3.97Å; P162-L165 HydrophobicContact CG-CG 4.4Å; P162-L165 PolarHBondContact O-N 3.49Å
163A83.1Confident87.2Confident89 Ų8962.6 Ų62.674%0.73632%0.321SS*.THydrogen-bonded Turntrans-65.2-14.7-17100000114.7L165 T166A163-L165 VanDerWaalsContact C-N 3.27Å; A163-T166 PolarHBondContact O-OG1 2.99Å
164N84.4Confident87.5Confident77 Ų7771.2 Ų71.241%0.41235%0.353SS..THydrogen-bonded Turntrans-72.7-19.9171.560.6-17.3000112.7Y148 P162Y148-N164 PolarHBondContact OH-ND2 2.74Å; P162-N164 VanDerWaalsContact CB-OD1 3.23Å; P162-N164 WeakPolarHBondContact CB-OD1 3.3Å; P162-N164 WeakPolarHBondContact CG-OD1 3.1Å; P162-N164 PolarHBondContact O-N 2.9Å; P162-N164 VanDerWaalsContact O-N 3.09Å; P162-N164 PolarHBondContact O-OD1 3.45Å
165L86.1Confident87.9Confident3 Ų376.6 Ų76.62%0.01637%0.374CS..THydrogen-bonded Turntrans-105.5-8-175.8-69.8178.8000114.3F144 P145 Y148 A152 F156 I161 P162 A163 K167 F168 R169F144-L165 HydrophobicContact CE2-CD2 3.89Å; F144-L165 HydrophobicContact CZ-CD2 4.29Å; P145-L165 HydrophobicContact CG-CD2 4.17Å; Y148-L165 HydrophobicContact CD1-CD1 3.99Å; Y148-L165 HydrophobicContact CD2-CD1 3.78Å; Y148-L165 HydrophobicContact CD2-CD2 3.75Å; Y148-L165 HydrophobicContact CD2-CG 4.08Å; Y148-L165 HydrophobicContact CE1-CD1 4.13Å; Y148-L165 HydrophobicContact CE2-CD1 3.95Å; Y148-L165 HydrophobicContact CE2-CD2 4.17Å; Y148-L165 HydrophobicContact CE2-CG 4.11Å; Y148-L165 HydrophobicContact CG-CD1 3.85Å; Y148-L165 HydrophobicContact CG-CD2 4.39Å; A152-L165 HydrophobicContact CB-CD1 4.38Å; F156-L165 HydrophobicContact CE1-CB 4.42Å; F156-L165 HydrophobicContact CE1-CD1 4.41Å; I161-L165 HydrophobicContact CG2-CB 3.6Å; I161-L165 HydrophobicContact CG2-CD1 4.21Å; P162-L165 HydrophobicContact CG-CD1 3.97Å; P162-L165 HydrophobicContact CG-CG 4.4Å; P162-L165 PolarHBondContact O-N 3.49Å; A163-L165 VanDerWaalsContact C-N 3.27Å; L165-K167 VanDerWaalsContact C-N 3.32Å; L165-K167 PolarHBondContact O-N 3.41Å; L165-F168 HydrophobicContact CD2-CD2 4.04Å; L165-F168 PolarHBondContact O-N 3.31Å; L165-F168 VanDerWaalsContact O-N 3.13Å; L165-R169 PolarHBondContact O-N 3.28Å
166T87.1Confident88.1Confident64 Ų6470.3 Ų70.339%0.39335%0.35SS..Hα-helixtrans-57.6-41.4-178.618.40000112.9A163 F168 R169 D170A163-T166 PolarHBondContact O-OG1 2.99Å; T166-F168 VanDerWaalsContact C-N 3.35Å; T166-F168 PolarHBondContact O-N 3.48Å; T166-R169 WeakPolarHBondContact O-CB 3.42Å; T166-R169 PolarHBondContact O-N 2.95Å; T166-D170 PolarHBondContact O-N 2.97Å
167K88.7Confident88.3Confident161 Ų16175.4 Ų75.470%0.737%0.37SS*.Hα-helixtrans-59.6-44.9176.7-175.3-175174.3-169.60111.9L165 D170 E171L165-K167 VanDerWaalsContact C-N 3.32Å; L165-K167 PolarHBondContact O-N 3.41Å; K167-D170 PolarHBondContact O-N 2.89Å; K167-E171 PolarHBondContact O-N 3.31Å; K167-E171 VanDerWaalsContact O-N 3.1Å
168F89.9Confident88.7Confident22 Ų2280.6 Ų80.610%0.09639%0.386CS..Hα-helixtrans-68.2-38.8178.2-64-71.6000111.7L141 D142 K143 F144 F156 L165 T166 D170 E171 V172L141-F168 HydrophobicContact CB-CD1 4.19Å; L141-F168 HydrophobicContact CB-CE1 4.42Å; L141-F168 HydrophobicContact CD1-CD1 4.43Å; D142-F168 VanDerWaalsContact O-CE1 3.26Å; D142-F168 WeakPolarHBondContact O-CE1 3.48Å; K143-F168 WeakPolarHBondContact O-CZ 3.14Å; F144-F168 HydrophobicContact CB-CE1 4.41Å; F144-F168 HydrophobicContact CD2-CB 4.29Å; F144-F168 AromaticContact CD2-CD1 3.89Å; F144-F168 HydrophobicContact CD2-CD1 3.89Å; F144-F168 HydrophobicContact CD2-CD2 4.18Å; F144-F168 HydrophobicContact CD2-CE1 4.23Å; F144-F168 AromaticContact CD2-CG 3.86Å; F144-F168 HydrophobicContact CD2-CG 3.86Å; F144-F168 HydrophobicContact CE2-CB 4.26Å; F144-F168 HydrophobicContact CE2-CG 4.24Å; F156-F168 HydrophobicContact CE2-CB 4.18Å; F156-F168 HydrophobicContact CZ-CB 4.15Å; L165-F168 HydrophobicContact CD2-CD2 4.04Å; L165-F168 PolarHBondContact O-N 3.31Å; L165-F168 VanDerWaalsContact O-N 3.13Å; T166-F168 VanDerWaalsContact C-N 3.35Å; T166-F168 PolarHBondContact O-N 3.48Å; F168-D170 VanDerWaalsContact C-N 3.34Å; F168-D170 PolarHBondContact O-N 2.77Å; F168-E171 PolarHBondContact O-N 2.93Å; F168-V172 WeakPolarHBondContact O-CB 3.28Å; F168-V172 VanDerWaalsContact O-CG2 3.3Å; F168-V172 WeakPolarHBondContact O-CG2 3.33Å; F168-V172 PolarHBondContact O-N 3.49Å
169R90.3Very high89.1Confident76 Ų7681.2 Ų81.229%0.28739%0.385SS..Hα-helixtrans-59.3-45.8174.7174.2-94-177.5-1753.1111.4F156 I161 L165 T166 E171 V172 T173F156-R169 HydrophobicContact CB-CB 4.45Å; F156-R169 HydrophobicContact CB-CG 4.02Å; F156-R169 HydrophobicContact CD1-CB 4.26Å; F156-R169 HydrophobicContact CD2-CB 4.11Å; F156-R169 HydrophobicContact CE2-CB 4.33Å; F156-R169 HydrophobicContact CG-CB 4.05Å; F156-R169 HydrophobicContact CG-CG 4.16Å; F156-R169 VanDerWaalsContact O-CG 3.31Å; F156-R169 WeakPolarHBondContact O-CG 3.19Å; F156-R169 PolarHBondContact O-NE 3.46Å; I161-R169 HydrophobicContact CD1-CB 4.14Å; I161-R169 HydrophobicContact CD1-CG 3.68Å; L165-R169 PolarHBondContact O-N 3.28Å; T166-R169 WeakPolarHBondContact O-CB 3.42Å; T166-R169 PolarHBondContact O-N 2.95Å; R169-E171 VanDerWaalsContact C-N 3.35Å; R169-V172 PolarHBondContact O-N 3.33Å; R169-T173 WeakPolarHBondContact O-CB 3.22Å; R169-T173 PolarHBondContact O-N 3.33Å; R169-T173 PolarHBondContact O-OG1 3.48Å
170D90.5Very high90Very high84 Ų8471.7 Ų71.745%0.44934%0.344SS..Hα-helixtrans-67-38.9179.6-69.6-22.6000111.5T166 K167 F168 R174T166-D170 PolarHBondContact O-N 2.97Å; K167-D170 PolarHBondContact O-N 2.89Å; F168-D170 VanDerWaalsContact C-N 3.34Å; F168-D170 PolarHBondContact O-N 2.77Å; D170-R174 WeakPolarHBondContact O-CB 3.22Å; D170-R174 PolarHBondContact O-N 2.89Å
171E91.8Very high90.8Very high75 Ų7568.6 Ų68.635%0.3533%0.325SS..Hα-helixtrans-62.3-50.5174.8-178.3170.2-17100112.3L141 K167 F168 R169 R174 R175L141-E171 HydrophobicContact CD2-CG 4.42Å; K167-E171 PolarHBondContact O-N 3.31Å; K167-E171 VanDerWaalsContact O-N 3.1Å; F168-E171 PolarHBondContact O-N 2.93Å; R169-E171 VanDerWaalsContact C-N 3.35Å; E171-R174 PolarHBondContact O-N 3.48Å; E171-R175 WeakPolarHBondContact O-CB 2.88Å; E171-R175 PolarHBondContact O-N 2.9Å
172V92.3Very high91.5Very high2 Ų270.6 Ų70.61%0.01234%0.335CS..Hα-helixtrans-63.8-46.1178.3169.40000111.2V136 L141 F156 F168 R169 R174 R175 L176V136-V172 HydrophobicContact CG1-CG2 4.18Å; V136-V172 HydrophobicContact CG2-CG1 3.96Å; L141-V172 HydrophobicContact CD1-CG2 3.76Å; L141-V172 HydrophobicContact CD2-CG2 3.8Å; L141-V172 HydrophobicContact CG-CG2 4.38Å; F156-V172 HydrophobicContact CD2-CB 3.86Å; F156-V172 HydrophobicContact CD2-CG1 4Å; F156-V172 HydrophobicContact CD2-CG2 4.06Å; F156-V172 HydrophobicContact CE2-CB 4.2Å; F156-V172 HydrophobicContact CE2-CG2 3.91Å; F168-V172 WeakPolarHBondContact O-CB 3.28Å; F168-V172 VanDerWaalsContact O-CG2 3.3Å; F168-V172 WeakPolarHBondContact O-CG2 3.33Å; F168-V172 PolarHBondContact O-N 3.49Å; R169-V172 PolarHBondContact O-N 3.33Å; V172-R174 VanDerWaalsContact C-N 3.31Å; V172-R174 PolarHBondContact O-N 3.35Å; V172-R175 PolarHBondContact O-N 3Å; V172-L176 HydrophobicContact CG1-CD1 3.8Å; V172-L176 HydrophobicContact CG1-CG 4.29Å; V172-L176 WeakPolarHBondContact O-CB 3.35Å; V172-L176 WeakPolarHBondContact O-CG 3.3Å; V172-L176 PolarHBondContact O-N 3.47Å
173T92.5Very high92.1Very high17 Ų1772.6 Ų72.610%0.10434%0.338CS..Hα-helixtrans-60.1-43.6178.2-60.20000110.5I129 R169 R177I129-T173 HydrophobicContact CD1-CG2 3.93Å; R169-T173 WeakPolarHBondContact O-CB 3.22Å; R169-T173 PolarHBondContact O-N 3.33Å; R169-T173 PolarHBondContact O-OG1 3.48Å; T173-R177 WeakPolarHBondContact O-CB 3.48Å; T173-R177 PolarHBondContact O-N 2.83Å
174R94.1Very high92.7Very high181 Ų18168.3 Ų68.368%0.68330%0.303SS*.Hα-helixtrans-63.3-44.1176.8-176.817664.9164.60.6111.6D170 E171 V172 Y178D170-R174 WeakPolarHBondContact O-CB 3.22Å; D170-R174 PolarHBondContact O-N 2.89Å; E171-R174 PolarHBondContact O-N 3.48Å; V172-R174 VanDerWaalsContact C-N 3.31Å; V172-R174 PolarHBondContact O-N 3.35Å; R174-Y178 WeakPolarHBondContact O-CB 3.06Å; R174-Y178 PolarHBondContact O-N 2.91Å
175R94.6Very high93.3Very high113 Ų11372.5 Ų72.543%0.42631%0.313SS..Hα-helixtrans-61-53.2177.5179.4-179173.7177.82.7111.7S140 E171 V172 R177 Y178 E179S140-R175 PolarHBondContact OG-NH1 2.88Å; E171-R175 WeakPolarHBondContact O-CB 2.88Å; E171-R175 PolarHBondContact O-N 2.9Å; V172-R175 PolarHBondContact O-N 3Å; R175-R177 VanDerWaalsContact C-N 3.32Å; R175-R177 PolarHBondContact O-N 3.24Å; R175-Y178 WeakPolarHBondContact O-CB 3.39Å; R175-Y178 PolarHBondContact O-N 3.24Å; R175-E179 IonicContact NE-OE1 3.7Å; R175-E179 PolarHBondContact NE-OE1 3.48Å; R175-E179 IonicContact NH2-OE1 3.47Å; R175-E179 PolarHBondContact O-N 2.82Å
176L95.1Very high93.9Very high4 Ų476.7 Ų76.72%0.02133%0.334CS..Hα-helixtrans-65.4-35.4-179.3-69.1176.7000112.1Y128 I129 L132 V136 V172 E179 S180Y128-L176 WeakPolarHBondContact CD1-O 3.49Å; Y128-L176 HydrophobicContact CE1-CD2 4.28Å; I129-L176 HydrophobicContact CG1-CB 3.86Å; L132-L176 HydrophobicContact CB-CD2 4Å; V136-L176 HydrophobicContact CG2-CD1 4.06Å; V136-L176 HydrophobicContact CG2-CD2 4.12Å; V136-L176 HydrophobicContact CG2-CG 4.3Å; V172-L176 HydrophobicContact CG1-CD1 3.8Å; V172-L176 HydrophobicContact CG1-CG 4.29Å; V172-L176 WeakPolarHBondContact O-CB 3.35Å; V172-L176 WeakPolarHBondContact O-CG 3.3Å; V172-L176 PolarHBondContact O-N 3.47Å; L176-E179 PolarHBondContact O-N 2.98Å; L176-S180 WeakPolarHBondContact O-CB 3.2Å; L176-S180 PolarHBondContact O-N 3.27Å
177R95.5Very high94.3Very high108 Ų10876.1 Ų76.141%0.40833%0.329SS..Hα-helixtrans-63.3-44173.6-176.7171.2-69.9-155.7-5.8111.6I129 T173 R175 S180 Q181I129-R177 HydrophobicContact CD1-CB 3.91Å; T173-R177 WeakPolarHBondContact O-CB 3.48Å; T173-R177 PolarHBondContact O-N 2.83Å; R175-R177 VanDerWaalsContact C-N 3.32Å; R175-R177 PolarHBondContact O-N 3.24Å; R177-S180 PolarHBondContact O-N 3.46Å; R177-Q181 WeakPolarHBondContact O-CB 3.32Å; R177-Q181 WeakPolarHBondContact O-CG 3.43Å; R177-Q181 PolarHBondContact O-N 3.44Å
178Y96.2Very high94.6Very high142 Ų14271.2 Ų71.256%0.55731%0.31SS*.Hα-helixtrans-58.9-48.9174.1149.6-101.9000111.3R174 R175 S180 Q181 L182R174-Y178 WeakPolarHBondContact O-CB 3.06Å; R174-Y178 PolarHBondContact O-N 2.91Å; R175-Y178 WeakPolarHBondContact O-CB 3.39Å; R175-Y178 PolarHBondContact O-N 3.24Å; Y178-S180 VanDerWaalsContact C-N 3.34Å; Y178-S180 PolarHBondContact O-N 3.01Å; Y178-Q181 PolarHBondContact O-N 3.48Å; Y178-L182 HydrophobicContact CE2-CB 4.39Å; Y178-L182 HydrophobicContact CE2-CD2 4.23Å; Y178-L182 WeakPolarHBondContact O-CB 3.5Å; Y178-L182 PolarHBondContact O-N 2.88Å
179E96.4Very high94.9Very high48 Ų4871.9 Ų71.922%0.22432%0.323CS..Hα-helixtrans-60-44.7178.9-71.4176.9-168.400111.3Y128 R175 L176 L182 F183Y128-E179 HydrophobicContact CE1-CB 3.95Å; R175-E179 IonicContact NE-OE1 3.7Å; R175-E179 PolarHBondContact NE-OE1 3.48Å; R175-E179 IonicContact NH2-OE1 3.47Å; R175-E179 PolarHBondContact O-N 2.82Å; L176-E179 PolarHBondContact O-N 2.98Å; E179-L182 PolarHBondContact O-N 3.11Å; E179-F183 WeakPolarHBondContact O-CD2 3.31Å; E179-F183 PolarHBondContact O-N 3.23Å
180S96.1Very high95.2Very high0 Ų073 Ų730%033%0.334CS..Hα-helixtrans-59.7-48.1176.3-168.80000112.6L122 G125 Y128 L176 R177 Y178 L182 F183 G184L122-S180 CarbonylContact O-C 3.52Å; L122-S180 WeakPolarHBondContact O-CB 3.5Å; L122-S180 PolarHBondContact O-OG 3.34Å; G125-S180 WeakPolarHBondContact CA-OG 3.06Å; Y128-S180 WeakPolarHBondContact CB-OG 3.04Å; L176-S180 WeakPolarHBondContact O-CB 3.2Å; L176-S180 PolarHBondContact O-N 3.27Å; R177-S180 PolarHBondContact O-N 3.46Å; Y178-S180 VanDerWaalsContact C-N 3.34Å; Y178-S180 PolarHBondContact O-N 3.01Å; S180-L182 VanDerWaalsContact C-N 3.34Å; S180-L182 PolarHBondContact O-N 3.47Å; S180-F183 PolarHBondContact O-N 2.75Å; S180-G184 PolarHBondContact O-N 2.97Å
181Q95.7Very high95.4Very high77 Ų7771.2 Ų71.236%0.3633%0.325SS..Hα-helixtrans-66.6-37.8179.7-73.7-178.6-3.200111.7L123 R177 Y178 G184 W185L123-Q181 WeakPolarHBondContact O-CG 3.39Å; L123-Q181 PolarHBondContact O-NE2 3.47Å; R177-Q181 WeakPolarHBondContact O-CB 3.32Å; R177-Q181 WeakPolarHBondContact O-CG 3.43Å; R177-Q181 PolarHBondContact O-N 3.44Å; Y178-Q181 PolarHBondContact O-N 3.48Å; Q181-G184 PolarHBondContact O-N 2.8Å; Q181-W185 PolarHBondContact O-N 2.78Å
182L97.6Very high95.5Very high73 Ų7370.3 Ų70.338%0.38233%0.331SS..Hα-helixtrans-60.4-47.9173.8-179.763.5000110.9Y178 E179 S180 G184 W185 L186Y178-L182 HydrophobicContact CE2-CB 4.39Å; Y178-L182 HydrophobicContact CE2-CD2 4.23Å; Y178-L182 WeakPolarHBondContact O-CB 3.5Å; Y178-L182 PolarHBondContact O-N 2.88Å; E179-L182 PolarHBondContact O-N 3.11Å; S180-L182 VanDerWaalsContact C-N 3.34Å; S180-L182 PolarHBondContact O-N 3.47Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 3.19Å; L182-W185 PolarHBondContact O-N 3.29Å; L182-L186 HydrophobicContact CD1-CD1 4.33Å; L182-L186 HydrophobicContact CD1-CG 4.28Å; L182-L186 HydrophobicContact CG-CD1 4.07Å; L182-L186 HydrophobicContact CG-CG 4.43Å; L182-L186 WeakPolarHBondContact O-CB 3.39Å; L182-L186 VanDerWaalsContact O-CG 3.29Å; L182-L186 WeakPolarHBondContact O-CG 3.48Å; L182-L186 PolarHBondContact O-N 2.92Å
183F96.9Very high95.6Very high108 Ų10874.2 Ų74.247%0.47436%0.355SS..Hα-helixtrans-60.1-40.1174.4-78.5-57000112.4L122 Y128 E179 S180 L186 L187L122-F183 HydrophobicContact CD1-CB 4.46Å; Y128-F183 AromaticContact CE2-CD2 3.89Å; Y128-F183 HydrophobicContact CE2-CD2 3.89Å; Y128-F183 HydrophobicContact CE2-CE2 4.26Å; Y128-F183 AromaticContact CZ-CD2 3.99Å; Y128-F183 VanDerWaalsContact OH-CE2 3.3Å; Y128-F183 WeakPolarHBondContact OH-CE2 3.3Å; E179-F183 WeakPolarHBondContact O-CD2 3.31Å; E179-F183 PolarHBondContact O-N 3.23Å; S180-F183 PolarHBondContact O-N 2.75Å; F183-L186 PolarHBondContact O-N 2.87Å; F183-L187 VanDerWaalsContact O-CB 3.27Å; F183-L187 WeakPolarHBondContact O-CB 3.35Å; F183-L187 PolarHBondContact O-N 3.36Å
184G95.2Very high95.6Very high0 Ų078.1 Ų78.10%037%0.374CS..Hα-helixtrans-58.6-48.1174.100000112.7S180 Q181 L182 L187 I188S180-G184 PolarHBondContact O-N 2.97Å; Q181-G184 PolarHBondContact O-N 2.8Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 3.19Å; G184-L187 PolarHBondContact O-N 3.07Å; G184-I188 WeakPolarHBondContact O-CG1 3.2Å; G184-I188 PolarHBondContact O-N 3.16Å
185W97.6Very high95.4Very high165 Ų16573.1 Ų73.163%0.62536%0.363SS*.Hα-helixtrans-67-41.6177.8-77.5116.8000113.3L123 Q181 L182 L187 I188 G189L123-W185 HydrophobicContact CD2-CD2 4.47Å; L123-W185 HydrophobicContact CD2-CG 4.39Å; Q181-W185 PolarHBondContact O-N 2.78Å; L182-W185 PolarHBondContact O-N 3.29Å; W185-L187 VanDerWaalsContact C-N 3.32Å; W185-L187 PolarHBondContact O-N 3.26Å; W185-I188 HydrophobicContact CD2-CD1 4.5Å; W185-I188 HydrophobicContact CE3-CD1 3.82Å; W185-I188 HydrophobicContact CZ3-CD1 4Å; W185-I188 PolarHBondContact O-N 3Å; W185-G189 PolarHBondContact O-N 3.29Å
186L98Very high95.3Very high90 Ų9074.1 Ų74.147%0.47137%0.371SS..Hα-helixtrans-61.5-42.4175-71.9175.9000111L182 F183 G189 I190L182-L186 HydrophobicContact CD1-CD1 4.33Å; L182-L186 HydrophobicContact CD1-CG 4.28Å; L182-L186 HydrophobicContact CG-CD1 4.07Å; L182-L186 HydrophobicContact CG-CG 4.43Å; L182-L186 WeakPolarHBondContact O-CB 3.39Å; L182-L186 VanDerWaalsContact O-CG 3.29Å; L182-L186 WeakPolarHBondContact O-CG 3.48Å; L182-L186 PolarHBondContact O-N 2.92Å; F183-L186 PolarHBondContact O-N 2.87Å; L186-G189 PolarHBondContact O-N 2.86Å; L186-I190 VanDerWaalsContact O-CG1 3.28Å; L186-I190 WeakPolarHBondContact O-CG1 3.25Å; L186-I190 PolarHBondContact O-N 2.04Å
187L95.5Very high95.1Very high52 Ų5278 Ų7827%0.27239%0.392SS..Hα-helixtrans-61.7-44.1176.6-176.960.1000111.6V119 L122 F183 G184 W185 G189 I190 V191V119-L187 HydrophobicContact CG2-CB 4.37Å; V119-L187 HydrophobicContact CG2-CD2 3.71Å; V119-L187 HydrophobicContact CG2-CG 3.95Å; L122-L187 HydrophobicContact CD1-CD2 4.14Å; F183-L187 VanDerWaalsContact O-CB 3.27Å; F183-L187 WeakPolarHBondContact O-CB 3.35Å; F183-L187 PolarHBondContact O-N 3.36Å; G184-L187 PolarHBondContact O-N 3.07Å; W185-L187 VanDerWaalsContact C-N 3.32Å; W185-L187 PolarHBondContact O-N 3.26Å; L187-G189 PolarHBondContact O-N 3.32Å; L187-I190 PolarHBondContact O-N 3.19Å; L187-V191 HydrophobicContact CD1-CG2 4.16Å; L187-V191 WeakPolarHBondContact O-CB 3.42Å; L187-V191 WeakPolarHBondContact O-CG2 3.29Å; L187-V191 PolarHBondContact O-N 2.99Å
188I94.5Very high94.6Very high59 Ų5976.9 Ų76.930%0.30340%0.397SS..Hα-helixtrans-57.3-49.3173.4-68.4165.2000110.5V119 L123 G184 W185 V191 A192V119-I188 HydrophobicContact CB-CG1 4.43Å; V119-I188 HydrophobicContact CG1-CD1 3.55Å; V119-I188 HydrophobicContact CG1-CG1 3.54Å; V119-I188 HydrophobicContact CG2-CG1 3.93Å; L123-I188 HydrophobicContact CD1-CD1 4.19Å; G184-I188 WeakPolarHBondContact O-CG1 3.2Å; G184-I188 PolarHBondContact O-N 3.16Å; W185-I188 HydrophobicContact CD2-CD1 4.5Å; W185-I188 HydrophobicContact CE3-CD1 3.82Å; W185-I188 HydrophobicContact CZ3-CD1 4Å; W185-I188 PolarHBondContact O-N 3Å; I188-V191 PolarHBondContact O-N 3.14Å; I188-A192 WeakPolarHBondContact O-CB 3.45Å; I188-A192 PolarHBondContact O-N 2.71Å
189G96.5Very high94Very high36 Ų3676.1 Ų76.137%0.37140%0.396SS..Hα-helixtrans-59.4-48.3-179.200000112.4W185 L186 L187 V191 A192 V193W185-G189 PolarHBondContact O-N 3.29Å; L186-G189 PolarHBondContact O-N 2.86Å; L187-G189 PolarHBondContact O-N 3.32Å; G189-V191 PolarHBondContact O-N 3.36Å; G189-A192 PolarHBondContact O-N 2.92Å; G189-V193 WeakPolarHBondContact O-CG2 3.35Å; G189-V193 PolarHBondContact O-N 3.27Å
190I96.8Very high93.5Very high100 Ų10076 Ų7651%0.51340%0.401SS..Hα-helixtrans-60.2-47.2177.9-69.1165.4000110.6L186 L187 A192 V193 L194L186-I190 VanDerWaalsContact O-CG1 3.28Å; L186-I190 WeakPolarHBondContact O-CG1 3.25Å; L186-I190 PolarHBondContact O-N 2.04Å; L187-I190 PolarHBondContact O-N 3.19Å; I190-A192 PolarHBondContact O-N 3.42Å; I190-V193 PolarHBondContact O-N 2.93Å; I190-L194 HydrophobicContact CG2-CD1 3.86Å; I190-L194 HydrophobicContact CG2-CG 4.35Å; I190-L194 WeakPolarHBondContact O-CB 3.33Å; I190-L194 VanDerWaalsContact O-CG 3.29Å; I190-L194 WeakPolarHBondContact O-CG 3.3Å; I190-L194 PolarHBondContact O-N 3.45Å
191V94.1Very high93Very high45 Ų4581.2 Ų81.227%0.27343%0.428SS..Hα-helixtrans-63.2-42.5179.8171.10000111V115 L187 I188 G189 V193 L194 V195V115-V191 HydrophobicContact CG1-CG1 4.25Å; V115-V191 HydrophobicContact CG1-CG2 3.71Å; L187-V191 HydrophobicContact CD1-CG2 4.16Å; L187-V191 WeakPolarHBondContact O-CB 3.42Å; L187-V191 WeakPolarHBondContact O-CG2 3.29Å; L187-V191 PolarHBondContact O-N 2.99Å; I188-V191 PolarHBondContact O-N 3.14Å; G189-V191 PolarHBondContact O-N 3.36Å; V191-V193 PolarHBondContact O-N 3.49Å; V191-L194 PolarHBondContact O-N 2.96Å; V191-V195 HydrophobicContact CG1-CG2 4.38Å; V191-V195 WeakPolarHBondContact O-CB 3.36Å; V191-V195 VanDerWaalsContact O-CG2 3.3Å; V191-V195 WeakPolarHBondContact O-CG2 3.29Å; V191-V195 PolarHBondContact O-N 3.45Å
192A93.6Very high92.2Very high57 Ų5784.7 Ų84.747%0.47144%0.442SS..Hα-helixtrans-61.2-45.1177.200000111.8I188 G189 I190 V195 F196I188-A192 WeakPolarHBondContact O-CB 3.45Å; I188-A192 PolarHBondContact O-N 2.71Å; G189-A192 PolarHBondContact O-N 2.92Å; I190-A192 PolarHBondContact O-N 3.42Å; A192-V195 PolarHBondContact O-N 2.97Å; A192-F196 WeakPolarHBondContact O-CB 3.43Å; A192-F196 PolarHBondContact O-N 3.24Å
193V95.8Very high91.1Very high84 Ų8486.8 Ų86.851%0.50945%0.449SS..Hα-helixtrans-63.1-44.5175.9172.40000111.1G189 I190 V191 V195 F196 L197G189-V193 WeakPolarHBondContact O-CG2 3.35Å; G189-V193 PolarHBondContact O-N 3.27Å; I190-V193 PolarHBondContact O-N 2.93Å; V191-V193 PolarHBondContact O-N 3.49Å; V193-V195 PolarHBondContact O-N 3.35Å; V193-F196 WeakPolarHBondContact O-CB 3.37Å; V193-F196 PolarHBondContact O-N 3.25Å; V193-L197 HydrophobicContact CG1-CD1 3.81Å; V193-L197 HydrophobicContact CG1-CG 4.2Å; V193-L197 WeakPolarHBondContact O-CB 3.45Å; V193-L197 VanDerWaalsContact O-CG 3.3Å; V193-L197 WeakPolarHBondContact O-CG 3.33Å; V193-L197 PolarHBondContact O-N 3.33Å
194L92.4Very high90.2Very high98 Ų9886.9 Ų86.951%0.51346%0.462SS..Hα-helixtrans-61.4-43.1176.6-72.7172.3000112.1I190 V191 F196 L197 T198I190-L194 HydrophobicContact CG2-CD1 3.86Å; I190-L194 HydrophobicContact CG2-CG 4.35Å; I190-L194 WeakPolarHBondContact O-CB 3.33Å; I190-L194 VanDerWaalsContact O-CG 3.29Å; I190-L194 WeakPolarHBondContact O-CG 3.3Å; I190-L194 PolarHBondContact O-N 3.45Å; V191-L194 PolarHBondContact O-N 2.96Å; L194-F196 VanDerWaalsContact C-N 3.35Å; L194-L197 PolarHBondContact O-N 3.43Å; L194-T198 WeakPolarHBondContact O-CB 3.26Å; L194-T198 WeakPolarHBondContact O-CG2 3.23Å; L194-T198 PolarHBondContact O-N 3.24Å; L194-T198 PolarHBondContact O-OG1 3Å
195V89.3Confident89.1Confident76 Ų7690.9 Ų90.946%0.46149%0.489SS..Hα-helixtrans-63.2-42.9175.7170.70000110.7V191 A192 V193 T198 K199V191-V195 HydrophobicContact CG1-CG2 4.38Å; V191-V195 WeakPolarHBondContact O-CB 3.36Å; V191-V195 VanDerWaalsContact O-CG2 3.3Å; V191-V195 WeakPolarHBondContact O-CG2 3.29Å; V191-V195 PolarHBondContact O-N 3.45Å; A192-V195 PolarHBondContact O-N 2.97Å; V193-V195 PolarHBondContact O-N 3.35Å; V195-T198 WeakPolarHBondContact CA-OG1 3.13Å; V195-T198 PolarHBondContact O-OG1 2.59Å; V195-K199 HydrophobicContact CG1-CG 4.44Å; V195-K199 WeakPolarHBondContact O-CB 3.15Å; V195-K199 WeakPolarHBondContact O-CG 3.38Å; V195-K199 PolarHBondContact O-N 3.48Å
196F91.9Very high87.6Confident135 Ų13585.4 Ų85.459%0.59248%0.476SS*.Hα-helixtrans-61.1-52.5176.4176.5-100.4000111.5A192 V193 L194 T198 K199 C200A192-F196 WeakPolarHBondContact O-CB 3.43Å; A192-F196 PolarHBondContact O-N 3.24Å; V193-F196 WeakPolarHBondContact O-CB 3.37Å; V193-F196 PolarHBondContact O-N 3.25Å; L194-F196 VanDerWaalsContact C-N 3.35Å; F196-T198 PolarHBondContact O-N 3Å; F196-K199 WeakPolarHBondContact O-CB 3.08Å; F196-K199 PolarHBondContact O-N 2.89Å; F196-C200 VanDerWaalsContact CZ-SG 3.55Å; F196-C200 PolarHBondContact O-N 3.31Å; F196-C200 PolarHBondContact O-SG 2.93Å; F196-C200 VanDerWaalsContact O-SG 3.35Å
197L91.2Very high85.8Confident86 Ų8686.3 Ų86.345%0.4549%0.487SS..Hα-helixtrans-60.5-44.4-179.9-69.4174.7000111.9V193 L194 K199 C200 L201V193-L197 HydrophobicContact CG1-CD1 3.81Å; V193-L197 HydrophobicContact CG1-CG 4.2Å; V193-L197 WeakPolarHBondContact O-CB 3.45Å; V193-L197 VanDerWaalsContact O-CG 3.3Å; V193-L197 WeakPolarHBondContact O-CG 3.33Å; V193-L197 PolarHBondContact O-N 3.33Å; L194-L197 PolarHBondContact O-N 3.43Å; L197-K199 VanDerWaalsContact C-N 3.32Å; L197-K199 PolarHBondContact O-N 2.62Å; L197-C200 PolarHBondContact O-N 3.07Å; L197-L201 WeakPolarHBondContact O-CB 3.5Å; L197-L201 VanDerWaalsContact O-CG 3.26Å; L197-L201 WeakPolarHBondContact O-CG 3.49Å; L197-L201 PolarHBondContact O-N 3.24Å
198T85.3Confident83.9Confident84 Ų8488.9 Ų88.952%0.51550%0.501SS..Hα-helixtrans-64.2-36.3177.8530000112.4L194 V195 F196 K202L194-T198 WeakPolarHBondContact O-CB 3.26Å; L194-T198 WeakPolarHBondContact O-CG2 3.23Å; L194-T198 PolarHBondContact O-N 3.24Å; L194-T198 PolarHBondContact O-OG1 3Å; V195-T198 WeakPolarHBondContact CA-OG1 3.13Å; V195-T198 PolarHBondContact O-OG1 2.59Å; F196-T198 PolarHBondContact O-N 3Å; T198-K202 WeakPolarHBondContact O-CB 3.29Å; T198-K202 PolarHBondContact O-N 3.38Å
199K83.8Confident81.8Confident125 Ų12590.5 Ų90.554%0.54352%0.518SS..Hα-helixtrans-66.9-45.3173.3-71.7-79.5-174.2159.70111.5V195 F196 L197 K202 H203V195-K199 HydrophobicContact CG1-CG 4.44Å; V195-K199 WeakPolarHBondContact O-CB 3.15Å; V195-K199 WeakPolarHBondContact O-CG 3.38Å; V195-K199 PolarHBondContact O-N 3.48Å; F196-K199 WeakPolarHBondContact O-CB 3.08Å; F196-K199 PolarHBondContact O-N 2.89Å; L197-K199 VanDerWaalsContact C-N 3.32Å; L197-K199 PolarHBondContact O-N 2.62Å; K199-K202 PolarHBondContact O-N 3.38Å; K199-H203 WeakPolarHBondContact O-CB 3.49Å; K199-H203 PolarHBondContact O-CD2 2.92Å; K199-H203 PolarHBondContact O-N 2.89Å
200C86.4Confident79.8Confident47 Ų4799.2 Ų99.232%0.31854%0.541SS..Hα-helixtrans-59.5-51.8176-71.20000111.3F196 L197 K202 H203 C204F196-C200 VanDerWaalsContact CZ-SG 3.55Å; F196-C200 PolarHBondContact O-N 3.31Å; F196-C200 PolarHBondContact O-SG 2.93Å; F196-C200 VanDerWaalsContact O-SG 3.35Å; L197-C200 PolarHBondContact O-N 3.07Å; C200-K202 VanDerWaalsContact C-N 3.33Å; C200-K202 PolarHBondContact O-N 3.32Å; C200-H203 CarbonylContact O-C 3.42Å; C200-H203 PolarHBondContact O-N 2.95Å; C200-C204 PolarHBondContact O-N 3.5Å; C200-C204 PolarHBondContact O-SG 3.41Å
201L84.2Confident78.1Confident109 Ų109103.8 Ų103.857%0.57155%0.552SS**Hα-helixtrans-59.4-43.1177.5-69.9171.7000111.7L197 H203 C204 C205L197-L201 WeakPolarHBondContact O-CB 3.5Å; L197-L201 VanDerWaalsContact O-CG 3.26Å; L197-L201 WeakPolarHBondContact O-CG 3.49Å; L197-L201 PolarHBondContact O-N 3.24Å; L201-H203 VanDerWaalsContact C-N 3.27Å; L201-H203 PolarHBondContact O-N 3.41Å; L201-C204 PolarHBondContact O-N 2.9Å; L201-C205 VanDerWaalsContact O-CB 3.29Å; L201-C205 WeakPolarHBondContact O-CB 2.94Å; L201-C205 PolarHBondContact O-N 3.47Å; L201-C205 PolarHBondContact O-SG 3.06Å
202K79.1Confident76.2Confident150 Ų150109.4 Ų109.465%0.65258%0.575SS**Hα-helixtrans-62.2-35.4175.8-177171.9-178.9166.40112.4T198 K199 C200 S206T198-K202 WeakPolarHBondContact O-CB 3.29Å; T198-K202 PolarHBondContact O-N 3.38Å; K199-K202 PolarHBondContact O-N 3.38Å; C200-K202 VanDerWaalsContact C-N 3.33Å; C200-K202 PolarHBondContact O-N 3.32Å; K202-S206 VanDerWaalsContact O-CB 3.25Å; K202-S206 WeakPolarHBondContact O-CB 2.98Å; K202-S206 PolarHBondContact O-N 3.31Å
203H75.2Confident74.4Confident117 Ų117109.1 Ų109.154%0.54258%0.577SS.*Hα-helixtrans-74.5-40.9176.4-83.5-60.1000112.5K199 C200 L201K199-H203 WeakPolarHBondContact O-CB 3.49Å; K199-H203 PolarHBondContact O-CD2 2.92Å; K199-H203 PolarHBondContact O-N 2.89Å; C200-H203 CarbonylContact O-C 3.42Å; C200-H203 PolarHBondContact O-N 2.95Å; L201-H203 VanDerWaalsContact C-N 3.27Å; L201-H203 PolarHBondContact O-N 3.41Å
204C78.5Confident72.8Confident110 Ų110107.8 Ų107.874%0.74358%0.575SS**Hα-helixtrans-70.2-39178.6-66.30000112.7C200 L201 S206C200-C204 PolarHBondContact O-N 3.5Å; C200-C204 PolarHBondContact O-SG 3.41Å; L201-C204 PolarHBondContact O-N 2.9Å; C204-S206 VanDerWaalsContact C-N 3.35Å
205C72.4Confident71.4Confident83 Ų83110.7 Ų110.756%0.56158%0.579SS**THydrogen-bonded Turntrans-90.76.1-177.8-56.30000113.4L201 P207L201-C205 VanDerWaalsContact O-CB 3.29Å; L201-C205 WeakPolarHBondContact O-CB 2.94Å; L201-C205 PolarHBondContact O-N 3.47Å; L201-C205 PolarHBondContact O-SG 3.06Å; C205-P207 WeakPolarHBondContact O-CD 3.41Å
206S64.4Low70.4Confident51 Ų51115.9 Ų115.936%0.35759%0.591SS.*  trans-82.9119.8176.91650000109.9K202 C204 L208K202-S206 VanDerWaalsContact O-CB 3.25Å; K202-S206 WeakPolarHBondContact O-CB 2.98Å; K202-S206 PolarHBondContact O-N 3.31Å; C204-S206 VanDerWaalsContact C-N 3.35Å; S206-L208 PolarHBondContact O-N 3.26Å; S206-L208 VanDerWaalsContact O-N 3.1Å; S206-L208 PolarHBondContact OG-N 2.92Å
207P60.1Low69.5Low108 Ų108113.9 Ų113.970%0.70159%0.59SS**  trans-69-8.8-178.827.9-34.9000113.8C205 S209C205-P207 WeakPolarHBondContact O-CD 3.41Å; P207-S209 PolarHBondContact O-N 3.4Å
208L55.8Low68.5Low106 Ų106111 Ų11156%0.55558%0.579SS**SBendtrans-84.1107.8178.8-69.8165.2000111S206S206-L208 PolarHBondContact O-N 3.26Å; S206-L208 VanDerWaalsContact O-N 3.1Å; S206-L208 PolarHBondContact OG-N 2.92Å
209S51.7Low68Low94 Ų94111.4 Ų111.466%0.65758%0.575SS**  trans-47.7141.2-178.5-166.60000114.4P207 R211P207-S209 PolarHBondContact O-N 3.4Å; S209-R211 PolarHBondContact O-N 2.88Å
210Y54.3Low67.6Low218 Ų218109.9 Ų109.986%0.85557%0.571SS**SBendtrans-60.3-3.1-170-179.3-103.1000116.8Q212Y210-Q212 PolarHBondContact O-N 3.48Å
211R59.6Low67.2Low197 Ų197112.1 Ų112.174%0.74358%0.577SS**  trans-68.2104.8179.9-73.4-175.8178.9178.60.5110.1S209 G213 A214 R215S209-R211 PolarHBondContact O-N 2.88Å; R211-G213 PolarHBondContact O-N 3.24Å; R211-G213 VanDerWaalsContact O-N 3.08Å; R211-A214 HydrophobicContact CB-CB 3.95Å; R211-A214 WeakPolarHBondContact O-CA 3.5Å; R211-A214 WeakPolarHBondContact O-CB 3.49Å; R211-A214 PolarHBondContact O-N 2.96Å; R211-R215 PolarHBondContact O-N 3.46Å
212Q55.1Low66.8Low162 Ų162108.7 Ų108.776%0.75756%0.562SS**Hα-helixtrans-48.3-37.9178-76.5172.9-16.600112.8Y210 R215 R216Y210-Q212 PolarHBondContact O-N 3.48Å; Q212-R215 PolarHBondContact O-N 3.04Å; Q212-R216 WeakPolarHBondContact O-CB 3.42Å; Q212-R216 PolarHBondContact O-N 3.38Å
213G56.4Low66.7Low51 Ų51109.4 Ų109.453%0.52656%0.561SS.*Hα-helixtrans-63.5-47.917400000113.2R211 R215 R216 T217R211-G213 PolarHBondContact O-N 3.24Å; R211-G213 VanDerWaalsContact O-N 3.08Å; G213-R215 VanDerWaalsContact C-N 3.31Å; G213-R215 PolarHBondContact O-N 3.25Å; G213-R216 PolarHBondContact O-N 3.01Å; G213-T217 WeakPolarHBondContact O-CB 3.34Å; G213-T217 PolarHBondContact O-N 3.29Å; G213-T217 PolarHBondContact O-OG1 3.48Å
214A61.3Low67Low57 Ų57108.3 Ų108.347%0.47156%0.562SS.*Hα-helixtrans-64.6-3617700000112R211 A218R211-A214 HydrophobicContact CB-CB 3.95Å; R211-A214 WeakPolarHBondContact O-CA 3.5Å; R211-A214 WeakPolarHBondContact O-CB 3.49Å; R211-A214 PolarHBondContact O-N 2.96Å; A214-A218 WeakPolarHBondContact O-CB 3.29Å; A214-A218 PolarHBondContact O-N 2.86Å
215R64.2Low67Low158 Ų158104.5 Ų104.560%0.59653%0.534SS*.Hα-helixtrans-67.1-44.4176.5-174.5174.4172.4-173.8-4.5112.4R211 Q212 G213 A218 E219R211-R215 PolarHBondContact O-N 3.46Å; Q212-R215 PolarHBondContact O-N 3.04Å; G213-R215 VanDerWaalsContact C-N 3.31Å; G213-R215 PolarHBondContact O-N 3.25Å; R215-A218 PolarHBondContact O-N 3.35Å; R215-E219 WeakPolarHBondContact O-CB 3.41Å; R215-E219 PolarHBondContact O-N 2.89Å
216R68.2Low67.2Low185 Ų185102.5 Ų102.570%0.69852%0.524SS*.Hα-helixtrans-64.1-42.9176.5-167.9173.8-174170.21110.8Q212 G213 E219 I220Q212-R216 WeakPolarHBondContact O-CB 3.42Å; Q212-R216 PolarHBondContact O-N 3.38Å; G213-R216 PolarHBondContact O-N 3.01Å; R216-E219 PolarHBondContact O-N 2.86Å; R216-I220 HydrophobicContact CG-CD1 4.1Å; R216-I220 VanDerWaalsContact O-CG1 3.26Å; R216-I220 WeakPolarHBondContact O-CG1 3.1Å; R216-I220 PolarHBondContact O-N 3.48Å
217T71.4Confident67.8Low93 Ų93101.8 Ų101.857%0.57152%0.521SS*.Hα-helixtrans-64.9-41.3175.3-560000111.9G213 I220 H221G213-T217 WeakPolarHBondContact O-CB 3.34Å; G213-T217 PolarHBondContact O-N 3.29Å; G213-T217 PolarHBondContact O-OG1 3.48Å; T217-I220 PolarHBondContact O-N 2.84Å; T217-H221 WeakPolarHBondContact O-CB 3.37Å; T217-H221 PolarHBondContact O-N 3.32Å
218A70.9Confident68.7Low27 Ų27103.9 Ų103.922%0.22352%0.519CS..Hα-helixtrans-64.8-39.5175.700000112.1A214 R215 S222A214-A218 WeakPolarHBondContact O-CB 3.29Å; A214-A218 PolarHBondContact O-N 2.86Å; R215-A218 PolarHBondContact O-N 3.35Å; A218-S222 VanDerWaalsContact O-CB 3.27Å; A218-S222 WeakPolarHBondContact O-CB 3.37Å; A218-S222 PolarHBondContact O-N 2.88Å; A218-S222 PolarHBondContact O-OG 2.81Å
219E73.9Confident69.6Low91 Ų9199.4 Ų99.443%0.42550%0.496SS..Hα-helixtrans-64.2-48.8175.4-175.7174.9-179.700111.3R215 R216 H221 S222 R223R215-E219 WeakPolarHBondContact O-CB 3.41Å; R215-E219 PolarHBondContact O-N 2.89Å; R216-E219 PolarHBondContact O-N 2.86Å; E219-H221 PolarHBondContact O-N 3.41Å; E219-S222 PolarHBondContact O-N 2.74Å; E219-S222 PolarHBondContact O-OG 2.85Å; E219-R223 WeakPolarHBondContact O-CG 2.98Å; E219-R223 PolarHBondContact O-N 1.99Å; E219-R223 IonicContact OE1-CZ 3.98Å; E219-R223 IonicContact OE1-NE 3.29Å; E219-R223 IonicContact OE1-NH2 2.7Å; E219-R223 PolarHBondContact OE1-NH2 3.14Å
220I76.6Confident70.8Confident93 Ų9397.1 Ų97.148%0.47748%0.478SS..Hα-helixtrans-60.4-47.9176.3-67.3166.3000110.2R216 T217 S222 R223 V224R216-I220 HydrophobicContact CG-CD1 4.1Å; R216-I220 VanDerWaalsContact O-CG1 3.26Å; R216-I220 WeakPolarHBondContact O-CG1 3.1Å; R216-I220 PolarHBondContact O-N 3.48Å; T217-I220 PolarHBondContact O-N 2.84Å; I220-S222 VanDerWaalsContact C-N 3.29Å; I220-S222 PolarHBondContact O-N 2.92Å; I220-R223 PolarHBondContact O-N 3.46Å; I220-R223 VanDerWaalsContact O-N 3.16Å; I220-V224 HydrophobicContact CG2-CG2 4.31Å; I220-V224 WeakPolarHBondContact O-CG2 3.38Å; I220-V224 PolarHBondContact O-N 3.43Å
221H77.5Confident71.8Confident95 Ų9593.1 Ų93.144%0.4447%0.465SS..Hα-helixtrans-57.7-42.9177179.2-95.5000111.4T217 E219 R223 V224 L225 Y279T217-H221 WeakPolarHBondContact O-CB 3.37Å; T217-H221 PolarHBondContact O-N 3.32Å; E219-H221 PolarHBondContact O-N 3.41Å; H221-R223 PolarHBondContact O-N 3.36Å; H221-V224 PolarHBondContact O-N 3.12Å; H221-L225 WeakPolarHBondContact O-CB 3.5Å; H221-L225 PolarHBondContact O-N 3.05Å; H221-Y279 AromaticContact CE1-CE2 3.99Å; H221-Y279 AromaticContact ND1-CE2 3.77Å
222S75.4Confident72.5Confident37 Ų3789.8 Ų89.826%0.25946%0.457SS..Hα-helixtrans-63.2-39.9177.677.80000112.4A218 E219 I220 A226A218-S222 VanDerWaalsContact O-CB 3.27Å; A218-S222 WeakPolarHBondContact O-CB 3.37Å; A218-S222 PolarHBondContact O-N 2.88Å; A218-S222 PolarHBondContact O-OG 2.81Å; E219-S222 PolarHBondContact O-N 2.74Å; E219-S222 PolarHBondContact O-OG 2.85Å; I220-S222 VanDerWaalsContact C-N 3.29Å; I220-S222 PolarHBondContact O-N 2.92Å; S222-A226 VanDerWaalsContact O-CB 3.28Å; S222-A226 WeakPolarHBondContact O-CB 3.14Å; S222-A226 PolarHBondContact O-N 3.13Å
223R78.1Confident73.2Confident164 Ų16482.2 Ų82.262%0.61942%0.422SS*.Hα-helixtrans-67.8-46.9177.6-71.8-178.6-174.3-1753.9111.6E219 I220 H221 L225 A226 A227E219-R223 WeakPolarHBondContact O-CG 2.98Å; E219-R223 PolarHBondContact O-N 1.99Å; E219-R223 IonicContact OE1-CZ 3.98Å; E219-R223 IonicContact OE1-NE 3.29Å; E219-R223 IonicContact OE1-NH2 2.7Å; E219-R223 PolarHBondContact OE1-NH2 3.14Å; I220-R223 PolarHBondContact O-N 3.46Å; I220-R223 VanDerWaalsContact O-N 3.16Å; H221-R223 PolarHBondContact O-N 3.36Å; R223-L225 VanDerWaalsContact C-N 3.32Å; R223-L225 PolarHBondContact O-N 3.34Å; R223-A226 PolarHBondContact O-N 2.9Å; R223-A227 PolarHBondContact O-N 3.46Å
224V80.6Confident73.9Confident94 Ų9482.8 Ų82.857%0.5741%0.41SS*.Hα-helixtrans-61.8-43.4177.6172.60000110.6I220 H221 A227 K228I220-V224 HydrophobicContact CG2-CG2 4.31Å; I220-V224 WeakPolarHBondContact O-CG2 3.38Å; I220-V224 PolarHBondContact O-N 3.43Å; H221-V224 PolarHBondContact O-N 3.12Å; V224-A227 PolarHBondContact O-N 2.89Å; V224-K228 PolarHBondContact O-N 3.23Å
225L79.8Confident74.1Confident30 Ų3083 Ų8316%0.15742%0.417CS..Hα-helixtrans-67.7-38.1178.4-172.363.2000112.2H221 R223 K228 N229 Y279 H283H221-L225 WeakPolarHBondContact O-CB 3.5Å; H221-L225 PolarHBondContact O-N 3.05Å; R223-L225 VanDerWaalsContact C-N 3.32Å; R223-L225 PolarHBondContact O-N 3.34Å; L225-K228 PolarHBondContact O-N 3.26Å; L225-N229 PolarHBondContact O-N 3.49Å; L225-N229 PolarHBondContact O-ND2 2.9Å; L225-Y279 HydrophobicContact CD2-CD2 3.77Å; L225-Y279 HydrophobicContact CD2-CE2 4.13Å; L225-H283 WeakPolarHBondContact CD2-CE1 3.34Å
226A76.9Confident74.2Confident41 Ų4179.3 Ų79.334%0.33941%0.406SS..Hα-helixtrans-59.8-48.6172.500000110.9S222 R223 K228 N229 V230S222-A226 VanDerWaalsContact O-CB 3.28Å; S222-A226 WeakPolarHBondContact O-CB 3.14Å; S222-A226 PolarHBondContact O-N 3.13Å; R223-A226 PolarHBondContact O-N 2.9Å; A226-K228 VanDerWaalsContact C-N 3.33Å; A226-K228 PolarHBondContact O-N 3.06Å; A226-N229 PolarHBondContact O-N 3.29Å; A226-V230 VanDerWaalsContact O-CG2 3.28Å; A226-V230 WeakPolarHBondContact O-CG2 3.4Å; A226-V230 PolarHBondContact O-N 3.42Å
227A76.9Confident74Confident37 Ų3773.2 Ų73.231%0.30639%0.389SS..Hα-helixtrans-58-44.7175.500000111.7R223 V224 N229 V230 K231 V237R223-A227 PolarHBondContact O-N 3.46Å; V224-A227 PolarHBondContact O-N 2.89Å; A227-N229 PolarHBondContact O-N 3.47Å; A227-V230 PolarHBondContact O-N 3.27Å; A227-K231 PolarHBondContact O-N 2.96Å; A227-V237 HydrophobicContact CB-CG1 4.45Å; A227-V237 WeakPolarHBondContact O-CG2 3.45Å
228K77.3Confident73.5Confident152 Ų15270.7 Ų70.766%0.66138%0.378SS*.Hα-helixtrans-61-41.9177-172.2175.4-179175.60112.6V224 L225 A226 K231 H232V224-K228 PolarHBondContact O-N 3.23Å; L225-K228 PolarHBondContact O-N 3.26Å; A226-K228 VanDerWaalsContact C-N 3.33Å; A226-K228 PolarHBondContact O-N 3.06Å; K228-K231 WeakPolarHBondContact O-CB 3.36Å; K228-K231 PolarHBondContact O-N 3.19Å; K228-H232 WeakPolarHBondContact O-CB 3.46Å; K228-H232 PolarHBondContact O-N 3.21Å
229N76.1Confident73Confident12 Ų1276.1 Ų76.16%0.06440%0.402CS..Hα-helixtrans-73.6-33.5179.9-60.9-34.9000112.3L225 A226 A227 H232 F233 L282 H283 A286L225-N229 PolarHBondContact O-N 3.49Å; L225-N229 PolarHBondContact O-ND2 2.9Å; A226-N229 PolarHBondContact O-N 3.29Å; A227-N229 PolarHBondContact O-N 3.47Å; N229-H232 PolarHBondContact O-N 2.99Å; N229-F233 WeakPolarHBondContact O-CB 3.47Å; N229-F233 PolarHBondContact O-N 3.43Å; N229-L282 HydrophobicContact CB-CD1 4.49Å; N229-L282 HydrophobicContact CB-CD2 3.9Å; N229-L282 HydrophobicContact CB-CG 3.73Å; N229-H283 WeakPolarHBondContact ND2-CA 3.42Å; N229-H283 WeakPolarHBondContact ND2-CB 3.26Å; N229-A286 HydrophobicContact CB-CB 4.19Å; N229-A286 VanDerWaalsContact OD1-CB 3.32Å; N229-A286 WeakPolarHBondContact OD1-CB 3.35Å
230V75.6Confident72.1Confident45 Ų4578.1 Ų78.127%0.27342%0.416SS..Hα-helixtrans-62.5-45.8171.1171.70000109.4A226 A227 H232 F233 F234 V237 L282A226-V230 VanDerWaalsContact O-CG2 3.28Å; A226-V230 WeakPolarHBondContact O-CG2 3.4Å; A226-V230 PolarHBondContact O-N 3.42Å; A227-V230 PolarHBondContact O-N 3.27Å; V230-H232 VanDerWaalsContact C-N 3.3Å; V230-H232 PolarHBondContact O-N 2.68Å; V230-F233 PolarHBondContact O-N 3.42Å; V230-F234 HydrophobicContact CG1-CD2 3.78Å; V230-F234 HydrophobicContact CG1-CE2 4.42Å; V230-F234 WeakPolarHBondContact O-CB 3.35Å; V230-F234 WeakPolarHBondContact O-CD2 3.42Å; V230-F234 PolarHBondContact O-N 2.91Å; V230-V237 HydrophobicContact CB-CG2 4.1Å; V230-V237 HydrophobicContact CG1-CG2 3.95Å; V230-L282 HydrophobicContact CG2-CD2 3.62Å
231K75.8Confident70.9Confident134 Ų13482.7 Ų82.758%0.58343%0.432SS*.Hα-helixtrans-57.4-42.7173.5-167172.4178.6172.80112.2A227 K228 G235 V237A227-K231 PolarHBondContact O-N 2.96Å; K228-K231 WeakPolarHBondContact O-CB 3.36Å; K228-K231 PolarHBondContact O-N 3.19Å; K231-G235 CarbonylContact O-C 3.59Å; K231-G235 WeakPolarHBondContact O-CA 3.32Å; K231-G235 PolarHBondContact O-N 3.39Å; K231-V237 HydrophobicContact CB-CG2 3.64Å; K231-V237 HydrophobicContact CG-CG2 4.45Å
232H73.7Confident69.7Low128 Ų12885.9 Ų85.959%0.59345%0.447SS*.Hα-helixtrans-68.1-33.5179.4-173.8-84.7000113K228 N229 V230 W285K228-H232 WeakPolarHBondContact O-CB 3.46Å; K228-H232 PolarHBondContact O-N 3.21Å; N229-H232 PolarHBondContact O-N 2.99Å; V230-H232 VanDerWaalsContact C-N 3.3Å; V230-H232 PolarHBondContact O-N 2.68Å; H232-W285 AromaticContact ND1-CH2 3.84Å; H232-W285 AromaticContact ND1-CZ3 3.52Å
233F70.6Confident68.8Low2 Ų286.8 Ų86.81%0.00945%0.448CS..Hα-helixtrans-83.4-43-180-174.7-85.2000112.7N229 V230 Q256 Q260 W261 I264 L282 W285N229-F233 WeakPolarHBondContact O-CB 3.47Å; N229-F233 PolarHBondContact O-N 3.43Å; V230-F233 PolarHBondContact O-N 3.42Å; F233-Q256 HydrophobicContact CD1-CG 4.25Å; F233-Q256 HydrophobicContact CE1-CB 4.17Å; F233-Q256 HydrophobicContact CE1-CG 3.93Å; F233-Q256 HydrophobicContact CZ-CB 3.96Å; F233-Q256 HydrophobicContact CZ-CG 4.06Å; F233-Q256 VanDerWaalsContact O-CD 3.23Å; F233-Q256 WeakPolarHBondContact O-CG 3.39Å; F233-Q260 HydrophobicContact CE2-CB 4.03Å; F233-Q260 HydrophobicContact CZ-CB 4.48Å; F233-W261 HydrophobicContact CE1-CD2 4.3Å; F233-W261 AromaticContact CE1-CE2 3.99Å; F233-W261 HydrophobicContact CE1-CH2 4.49Å; F233-W261 HydrophobicContact CE1-CZ2 4.11Å; F233-W261 HydrophobicContact CZ-CD2 4.14Å; F233-W261 HydrophobicContact CZ-CG 4.29Å; F233-I264 HydrophobicContact CD1-CD1 4.1Å; F233-I264 HydrophobicContact CD2-CD1 3.99Å; F233-I264 HydrophobicContact CD2-CG2 4.24Å; F233-I264 HydrophobicContact CE1-CD1 3.68Å; F233-I264 HydrophobicContact CE2-CD1 3.58Å; F233-I264 HydrophobicContact CE2-CG1 4.13Å; F233-I264 HydrophobicContact CE2-CG2 4.06Å; F233-I264 HydrophobicContact CG-CD1 4.25Å; F233-I264 HydrophobicContact CZ-CD1 3.41Å; F233-I264 VanDerWaalsContact CZ-CD1 3.41Å; F233-I264 HydrophobicContact CZ-CG1 4.17Å; F233-L282 HydrophobicContact CB-CD1 3.92Å; F233-L282 HydrophobicContact CD2-CD1 4.11Å; F233-L282 HydrophobicContact CG-CD1 4.14Å; F233-W285 HydrophobicContact CB-CH2 4.27Å; F233-W285 HydrophobicContact CB-CZ3 3.89Å; F233-W285 HydrophobicContact CD2-CD2 4.24Å; F233-W285 AromaticContact CD2-CE3 3.91Å; F233-W285 HydrophobicContact CD2-CE3 3.91Å; F233-W285 AromaticContact CD2-CH2 3.56Å; F233-W285 HydrophobicContact CD2-CH2 3.56Å; F233-W285 AromaticContact CD2-CZ2 3.9Å; F233-W285 HydrophobicContact CD2-CZ2 3.9Å; F233-W285 AromaticContact CD2-CZ3 3.57Å; F233-W285 HydrophobicContact CD2-CZ3 3.57Å; F233-W285 HydrophobicContact CE2-CH2 4.37Å; F233-W285 HydrophobicContact CE2-CZ2 4.27Å; F233-W285 HydrophobicContact CG-CH2 4.32Å; F233-W285 HydrophobicContact CG-CZ3 4.22Å
234F70.3Confident67.5Low63 Ų6385.4 Ų85.428%0.27645%0.446SS..Hα-helixtrans-100.6-12.7-173.1-69.1-75.4000114V230 F236 W261V230-F234 HydrophobicContact CG1-CD2 3.78Å; V230-F234 HydrophobicContact CG1-CE2 4.42Å; V230-F234 WeakPolarHBondContact O-CB 3.35Å; V230-F234 WeakPolarHBondContact O-CD2 3.42Å; V230-F234 PolarHBondContact O-N 2.91Å; F234-F236 HydrophobicContact CB-CD1 4.27Å; F234-F236 HydrophobicContact CB-CE1 4.15Å; F234-F236 WeakPolarHBondContact O-CD1 3.38Å; F234-F236 WeakPolarHBondContact O-CE1 3.44Å; F234-F236 PolarHBondContact O-N 3.35Å; F234-W261 AromaticContact CE1-CH2 3.45Å; F234-W261 HydrophobicContact CE1-CH2 3.45Å; F234-W261 VanDerWaalsContact CE1-CH2 3.45Å; F234-W261 AromaticContact CE1-CZ2 3.53Å; F234-W261 HydrophobicContact CE1-CZ2 3.53Å; F234-W261 HydrophobicContact CE1-CZ3 4.44Å; F234-W261 AromaticContact CZ-CH2 3.47Å; F234-W261 HydrophobicContact CZ-CH2 3.47Å; F234-W261 VanDerWaalsContact CZ-CH2 3.47Å; F234-W261 AromaticContact CZ-CZ2 3.97Å; F234-W261 HydrophobicContact CZ-CZ2 3.97Å; F234-W261 HydrophobicContact CZ-CZ3 4.06Å
235G65.6Low66.4Low61 Ų6188 Ų8863%0.62945%0.452SS*.SBendtrans81-13.7-171.200000114K231K231-G235 CarbonylContact O-C 3.59Å; K231-G235 WeakPolarHBondContact O-CA 3.32Å; K231-G235 PolarHBondContact O-N 3.39Å
236F66.6Low65Low81 Ų8193.4 Ų93.436%0.35548%0.48SS..  trans-146.6166-17966-86.2000112.3F234 A238 V247 V252F234-F236 HydrophobicContact CB-CD1 4.27Å; F234-F236 HydrophobicContact CB-CE1 4.15Å; F234-F236 WeakPolarHBondContact O-CD1 3.38Å; F234-F236 WeakPolarHBondContact O-CE1 3.44Å; F234-F236 PolarHBondContact O-N 3.35Å; F236-A238 HydrophobicContact CD2-CB 4.33Å; F236-A238 HydrophobicContact CE2-CB 4.47Å; F236-V247 HydrophobicContact CD2-CG2 4.1Å; F236-V247 HydrophobicContact CE2-CG2 4.39Å; F236-V247 HydrophobicContact CG-CG2 4.39Å; F236-V252 HydrophobicContact CD1-CG2 4.48Å; F236-V252 HydrophobicContact CE1-CG2 4.14Å
237V63.7Low63.9Low58 Ų5894.1 Ų94.135%0.35248%0.48SS..  trans-136.6124.6172.5177.20000106.9A227 V230 K231 L239A227-V237 HydrophobicContact CB-CG1 4.45Å; A227-V237 WeakPolarHBondContact O-CG2 3.45Å; V230-V237 HydrophobicContact CB-CG2 4.1Å; V230-V237 HydrophobicContact CG1-CG2 3.95Å; K231-V237 HydrophobicContact CB-CG2 3.64Å; K231-V237 HydrophobicContact CG-CG2 4.45Å; V237-L239 HydrophobicContact CG1-CD1 4.13Å; V237-L239 HydrophobicContact CG1-CG 4.47Å
238A61.9Low62.9Low39 Ų3999.7 Ų99.732%0.32250%0.5SS..  trans-118.6122.5-177.100000108.7F236 E243F236-A238 HydrophobicContact CD2-CB 4.33Å; F236-A238 HydrophobicContact CE2-CB 4.47Å; A238-E243 VanDerWaalsContact C-CG 3.41Å; A238-E243 VanDerWaalsContact CA-CG 3.48Å; A238-E243 HydrophobicContact CB-CB 3.95Å; A238-E243 HydrophobicContact CB-CG 3.47Å; A238-E243 VanDerWaalsContact CB-CG 3.47Å; A238-E243 VanDerWaalsContact O-OE1 3.13Å
239L59.9Low61.9Low142 Ų14299.6 Ų99.674%0.74350%0.502SS*.  trans-123.6-20.9176.2-78.4158.5000120.6V237 E243V237-L239 HydrophobicContact CG1-CD1 4.13Å; V237-L239 HydrophobicContact CG1-CG 4.47Å; L239-E243 VanDerWaalsContact C-CD 3.48Å; L239-E243 WeakPolarHBondContact CA-OE1 3.23Å; L239-E243 VanDerWaalsContact N-CD 3.28Å; L239-E243 PolarHBondContact N-OE1 3.41Å
240D55.3Low60.8Low132 Ų132106.6 Ų106.671%0.70653%0.532SS*.SBendtrans-172.3164.6142.5-110-43.9000115.2E242 E243D240-E242 VanDerWaalsContact C-N 3.3Å; D240-E242 PolarHBondContact O-N 2.86Å; D240-E243 VanDerWaalsContact CA-OE1 3.31Å; D240-E243 WeakPolarHBondContact CA-OE1 3.42Å; D240-E243 PolarHBondContact N-OE1 3.29Å; D240-E243 WeakPolarHBondContact O-CG 3.1Å; D240-E243 PolarHBondContact O-N 3.3Å
241K51.9Low60Low189 Ų189109.9 Ų109.982%0.82255%0.554SS**G310 helixtrans24.1-52.7-179.3-108.4-176.9-174.9179.80121.1E243K241-E243 PolarHBondContact O-N 2.94Å
242E52.5Low59.2Low162 Ų162107.7 Ų107.776%0.75755%0.552SS**G310 helixtrans-68.5-19.8167.9-66.1149.5-171.600111D240 K244 E245D240-E242 VanDerWaalsContact C-N 3.3Å; D240-E242 PolarHBondContact O-N 2.86Å; E242-K244 PolarHBondContact O-N 2.85Å; E242-E245 PolarHBondContact O-N 3.33Å
243E55.5Low58.3Low57 Ų57111 Ų11127%0.26657%0.568SS.*G310 helixtrans-31.9-29.5168.4-93.6-176.3175.100116A238 L239 D240 K241A238-E243 VanDerWaalsContact C-CG 3.41Å; A238-E243 VanDerWaalsContact CA-CG 3.48Å; A238-E243 HydrophobicContact CB-CB 3.95Å; A238-E243 HydrophobicContact CB-CG 3.47Å; A238-E243 VanDerWaalsContact CB-CG 3.47Å; A238-E243 VanDerWaalsContact O-OE1 3.13Å; L239-E243 VanDerWaalsContact C-CD 3.48Å; L239-E243 WeakPolarHBondContact CA-OE1 3.23Å; L239-E243 VanDerWaalsContact N-CD 3.28Å; L239-E243 PolarHBondContact N-OE1 3.41Å; D240-E243 VanDerWaalsContact CA-OE1 3.31Å; D240-E243 WeakPolarHBondContact CA-OE1 3.42Å; D240-E243 PolarHBondContact N-OE1 3.29Å; D240-E243 WeakPolarHBondContact O-CG 3.1Å; D240-E243 PolarHBondContact O-N 3.3Å; K241-E243 PolarHBondContact O-N 2.94Å
244K51.1Low57.7Low135 Ų135113.2 Ų113.259%0.58759%0.591SS**G310 helixtrans-127.3-21.7-147.9-117-177-176.8179.20113.8E242 L246 Q248E242-K244 PolarHBondContact O-N 2.85Å; K244-L246 PolarHBondContact O-N 3.08Å; K244-Q248 WeakPolarHBondContact O-CG 3.25Å
245E57.8Low56.9Low147 Ų147117 Ų11769%0.68762%0.62SS**Hα-helixtrans-61.4-27.6168.5-65.3-175175.800109.7E242 Q248E242-E245 PolarHBondContact O-N 3.33Å; E245-Q248 WeakPolarHBondContact O-CB 3.48Å; E245-Q248 PolarHBondContact O-N 2.94Å
246L49.9Very low56.7Low145 Ų145116.5 Ų116.576%0.75960%0.601SS**Hα-helixtrans-91.2-22.3-171.4-125.6122.6000115.8K244 Q248K244-L246 PolarHBondContact O-N 3.08Å; L246-Q248 PolarHBondContact O-N 3.42Å
247V54.7Low56.7Low56 Ų56115.6 Ų115.634%0.33960%0.603SS.*Hα-helixtrans-75.8-13.4166.6-174.10000109.9F236 V252F236-V247 HydrophobicContact CD2-CG2 4.1Å; F236-V247 HydrophobicContact CE2-CG2 4.39Å; F236-V247 HydrophobicContact CG-CG2 4.39Å; V247-V252 HydrophobicContact CG1-CG2 4.48Å
248Q55.5Low56.6Low153 Ų153117 Ų11772%0.71562%0.615SS**Hα-helixtrans-88.2-27.8-172.6-74172.62.700115K244 E245 L246K244-Q248 WeakPolarHBondContact O-CG 3.25Å; E245-Q248 WeakPolarHBondContact O-CB 3.48Å; E245-Q248 PolarHBondContact O-N 2.94Å; L246-Q248 PolarHBondContact O-N 3.42Å
249E55.3Low56.9Low151 Ų151119.7 Ų119.771%0.70663%0.628SS**Hα-helixtrans-76.8-35.2-178.2-148.6174.5172.900111.6
250F54.3Low57.5Low158 Ų158115.6 Ų115.669%0.69361%0.605SS**SBendtrans-143.7134.6-178-69.8-77.3000115.4
251P57.7Low58.3Low114 Ų114114.5 Ų114.574%0.7459%0.591SS**  trans-84149.5-163.1-2.324.1000111.1E253P251-E253 PolarHBondContact O-N 2.98Å
252V59.6Low59.3Low88 Ų88108.5 Ų108.553%0.53357%0.568SS.*  trans-60.8114.1-178.2-176.60000111.3F236 V247F236-V252 HydrophobicContact CD1-CG2 4.48Å; F236-V252 HydrophobicContact CE1-CG2 4.14Å; V247-V252 HydrophobicContact CG1-CG2 4.48Å
253E54Low60.4Low197 Ų197102.3 Ų102.392%0.92154%0.544SS*.  trans-89.2118.6170-85.1178.2163.600111.4P251P251-E253 PolarHBondContact O-N 2.98Å
254G58.7Low61.4Low49 Ų49100.8 Ų100.851%0.50554%0.538SS..  trans112.4100.9169.300000113.6Q256G254-Q256 PolarHBondContact O-N 3.22Å; G254-Q256 VanDerWaalsContact O-N 3.07Å
255V52.7Low62.4Low144 Ų14496.4 Ų96.487%0.87352%0.523SS*.  trans-67.9105.6164.5-179.70000107.4P257V255-P257 VanDerWaalsContact O-CD 3.24Å; V255-P257 WeakPolarHBondContact O-CD 3.39Å
256Q61.6Low62.9Low50 Ų5090 Ų9023%0.23450%0.496CS..  trans-61.5121.1173.5-63.3-67.6-68.400108.6F233 G254F233-Q256 HydrophobicContact CD1-CG 4.25Å; F233-Q256 HydrophobicContact CE1-CB 4.17Å; F233-Q256 HydrophobicContact CE1-CG 3.93Å; F233-Q256 HydrophobicContact CZ-CB 3.96Å; F233-Q256 HydrophobicContact CZ-CG 4.06Å; F233-Q256 VanDerWaalsContact O-CD 3.23Å; F233-Q256 WeakPolarHBondContact O-CG 3.39Å; G254-Q256 PolarHBondContact O-N 3.22Å; G254-Q256 VanDerWaalsContact O-N 3.07Å
257P66.3Low63.9Low61 Ų6184.1 Ų84.140%0.39647%0.466SS..  trans-56.9150.9179.5-27.234.9000113.1V255 T259 Q260 W261V255-P257 VanDerWaalsContact O-CD 3.24Å; V255-P257 WeakPolarHBondContact O-CD 3.39Å; P257-T259 PolarHBondContact O-N 3.32Å; P257-Q260 WeakPolarHBondContact O-CB 3.31Å; P257-Q260 PolarHBondContact O-N 2.89Å; P257-W261 PolarHBondContact O-N 3.18Å
258S62.7Low64.6Low88 Ų8884.2 Ų84.262%0.61546%0.461SS*.Hα-helixtrans-56.3-26.8177.861.60000113.3W261 N262S258-W261 PolarHBondContact O-N 2.83Å; S258-N262 PolarHBondContact O-N 3.26Å; S258-N262 PolarHBondContact O-ND2 3.4Å
259T67.4Low65.2Low95 Ų9580.6 Ų80.658%0.58345%0.445SS*.Hα-helixtrans-63.5-40.8174.353.90000112.2P257 N262 A263P257-T259 PolarHBondContact O-N 3.32Å; T259-N262 PolarHBondContact O-N 3.5Å; T259-A263 PolarHBondContact O-N 3.33Å; T259-A263 VanDerWaalsContact O-N 3.07Å
260Q73.3Confident65.8Low57 Ų5777.5 Ų77.527%0.26643%0.428SS..Hα-helixtrans-72.1-37.9177.8-64.8178.2-10.200111.3F233 P257 N262 A263 I264F233-Q260 HydrophobicContact CE2-CB 4.03Å; F233-Q260 HydrophobicContact CZ-CB 4.48Å; P257-Q260 WeakPolarHBondContact O-CB 3.31Å; P257-Q260 PolarHBondContact O-N 2.89Å; Q260-N262 VanDerWaalsContact C-N 3.32Å; Q260-N262 PolarHBondContact O-N 2.86Å; Q260-A263 WeakPolarHBondContact O-CB 3.15Å; Q260-A263 PolarHBondContact O-N 3.48Å; Q260-A263 VanDerWaalsContact O-N 3.08Å; Q260-I264 PolarHBondContact O-N 3.16Å
261W71.6Confident66.4Low108 Ų10876.4 Ų76.441%0.40942%0.419SS..Hα-helixtrans-57.9-44.1170.5-82.998.6000112.5F233 F234 P257 S258 A263 I264 T265F233-W261 HydrophobicContact CE1-CD2 4.3Å; F233-W261 AromaticContact CE1-CE2 3.99Å; F233-W261 HydrophobicContact CE1-CH2 4.49Å; F233-W261 HydrophobicContact CE1-CZ2 4.11Å; F233-W261 HydrophobicContact CZ-CD2 4.14Å; F233-W261 HydrophobicContact CZ-CG 4.29Å; F234-W261 AromaticContact CE1-CH2 3.45Å; F234-W261 HydrophobicContact CE1-CH2 3.45Å; F234-W261 VanDerWaalsContact CE1-CH2 3.45Å; F234-W261 AromaticContact CE1-CZ2 3.53Å; F234-W261 HydrophobicContact CE1-CZ2 3.53Å; F234-W261 HydrophobicContact CE1-CZ3 4.44Å; F234-W261 AromaticContact CZ-CH2 3.47Å; F234-W261 HydrophobicContact CZ-CH2 3.47Å; F234-W261 VanDerWaalsContact CZ-CH2 3.47Å; F234-W261 AromaticContact CZ-CZ2 3.97Å; F234-W261 HydrophobicContact CZ-CZ2 3.97Å; F234-W261 HydrophobicContact CZ-CZ3 4.06Å; P257-W261 PolarHBondContact O-N 3.18Å; S258-W261 PolarHBondContact O-N 2.83Å; W261-A263 VanDerWaalsContact C-N 3.28Å; W261-A263 PolarHBondContact O-N 3.41Å; W261-I264 HydrophobicContact CE3-CD1 4.24Å; W261-I264 WeakPolarHBondContact O-CG1 3.12Å; W261-I264 PolarHBondContact O-N 2.91Å; W261-T265 PolarHBondContact O-N 3.22Å; W261-T265 PolarHBondContact O-OG1 3.03Å
262N73.9Confident67Low63 Ų6375.4 Ų75.434%0.33741%0.405SS..Hα-helixtrans-64-33.8175.5-69.7-20.5000111.9K88 R89 S258 T259 Q260 I264 R281K88-N262 HydrophobicContact CD-CB 4.5Å; K88-N262 WeakPolarHBondContact CD-OD1 3.49Å; K88-N262 VanDerWaalsContact CE-OD1 3.25Å; K88-N262 WeakPolarHBondContact CE-OD1 3.4Å; K88-N262 PolarHBondContact NZ-OD1 2.88Å; R89-N262 PolarHBondContact NH2-O 2.69Å; S258-N262 PolarHBondContact O-N 3.26Å; S258-N262 PolarHBondContact O-ND2 3.4Å; T259-N262 PolarHBondContact O-N 3.5Å; Q260-N262 VanDerWaalsContact C-N 3.32Å; Q260-N262 PolarHBondContact O-N 2.86Å; N262-I264 VanDerWaalsContact C-N 3.3Å; N262-I264 PolarHBondContact O-N 3.38Å; N262-R281 PolarHBondContact O-NH1 3.25Å
263A75.1Confident67.3Low32 Ų3274.2 Ų74.226%0.26440%0.395SS..Hα-helixtrans-65.6-30.6177.200000113T259 Q260 W261 R281T259-A263 PolarHBondContact O-N 3.33Å; T259-A263 VanDerWaalsContact O-N 3.07Å; Q260-A263 WeakPolarHBondContact O-CB 3.15Å; Q260-A263 PolarHBondContact O-N 3.48Å; Q260-A263 VanDerWaalsContact O-N 3.08Å; W261-A263 VanDerWaalsContact C-N 3.28Å; W261-A263 PolarHBondContact O-N 3.41Å; A263-R281 PolarHBondContact O-NH1 3.44Å; A263-R281 PolarHBondContact O-NH2 3.37Å; A263-R281 VanDerWaalsContact O-NH2 3.12Å
264I76.4Confident67.9Low25 Ų2573.9 Ų73.913%0.12839%0.391CS..Hα-helixtrans-99.9-21.3-176.966.4162.7000114.6F233 Q260 W261 N262 R281 L282 W285F233-I264 HydrophobicContact CD1-CD1 4.1Å; F233-I264 HydrophobicContact CD2-CD1 3.99Å; F233-I264 HydrophobicContact CD2-CG2 4.24Å; F233-I264 HydrophobicContact CE1-CD1 3.68Å; F233-I264 HydrophobicContact CE2-CD1 3.58Å; F233-I264 HydrophobicContact CE2-CG1 4.13Å; F233-I264 HydrophobicContact CE2-CG2 4.06Å; F233-I264 HydrophobicContact CG-CD1 4.25Å; F233-I264 HydrophobicContact CZ-CD1 3.41Å; F233-I264 VanDerWaalsContact CZ-CD1 3.41Å; F233-I264 HydrophobicContact CZ-CG1 4.17Å; Q260-I264 PolarHBondContact O-N 3.16Å; W261-I264 HydrophobicContact CE3-CD1 4.24Å; W261-I264 WeakPolarHBondContact O-CG1 3.12Å; W261-I264 PolarHBondContact O-N 2.91Å; N262-I264 VanDerWaalsContact C-N 3.3Å; N262-I264 PolarHBondContact O-N 3.38Å; I264-R281 WeakPolarHBondContact O-CB 3.3Å; I264-L282 HydrophobicContact CB-CB 4.47Å; I264-L282 HydrophobicContact CB-CD1 4.27Å; I264-L282 HydrophobicContact CD1-CD1 4.25Å; I264-L282 HydrophobicContact CG2-CB 4.42Å; I264-L282 HydrophobicContact CG2-CD1 3.72Å; I264-W285 HydrophobicContact CG2-CB 3.78Å; I264-W285 HydrophobicContact CG2-CD2 4.16Å; I264-W285 HydrophobicContact CG2-CE3 4.49Å; I264-W285 HydrophobicContact CG2-CG 3.84Å
265T72.2Confident68.3Low44 Ų4474.4 Ų74.427%0.2740%0.396SS..SBendtrans-86.9138.5-17931.80000113.6K88 W261 R281K88-T265 PolarHBondContact NZ-OG1 3.36Å; W261-T265 PolarHBondContact O-N 3.22Å; W261-T265 PolarHBondContact O-OG1 3.03Å; T265-R281 PolarHBondContact O-NH1 2.88Å
266G68.7Low69.1Low12 Ų1274.9 Ų74.912%0.12439%0.386CS..SBendtrans119.1-171174.100000113.8E85E85-G266 VanDerWaalsContact OE2-CA 3.3Å; E85-G266 WeakPolarHBondContact OE2-CA 3.32Å
267V69.9Low69.6Low22 Ų2274.1 Ų74.113%0.13339%0.386CS..  trans-75.9136-170.3-176.90000111.5N81 V82 E85 F94 L102N81-V267 HydrophobicContact CB-CG2 4.16Å; V82-V267 HydrophobicContact CB-CG2 4.36Å; V82-V267 HydrophobicContact CG2-CG2 3.69Å; E85-V267 HydrophobicContact CB-CG2 4.38Å; E85-V267 PolarHBondContact OE2-N 2.74Å; F94-V267 HydrophobicContact CE1-CB 4.39Å; F94-V267 HydrophobicContact CE1-CG2 4.45Å; F94-V267 HydrophobicContact CZ-CB 4.27Å; F94-V267 HydrophobicContact CZ-CG2 4.07Å; L102-V267 HydrophobicContact CD1-CG1 3.65Å; L102-V267 HydrophobicContact CD2-CG1 3.65Å; L102-V267 HydrophobicContact CG-CG1 4.31Å
268Y68.9Low70Confident58 Ų5871.8 Ų71.823%0.22737%0.37CS..  trans-110.1118.2173-170.3-110.2000111.1R271 L278 Y279 R281Y268-R271 PolarHBondContact OH-N 3.17Å; Y268-L278 WeakPolarHBondContact CE1-O 3.44Å; Y268-L278 VanDerWaalsContact CZ-O 3.28Å; Y268-L278 WeakPolarHBondContact OH-CA 3.41Å; Y268-L278 WeakPolarHBondContact OH-CB 3.44Å; Y268-L278 PolarHBondContact OH-O 3.21Å; Y268-Y279 WeakPolarHBondContact CD1-O 3.45Å; Y268-R281 HydrophobicContact CD2-CG 3.73Å; Y268-R281 HydrophobicContact CG-CG 4.26Å
269I68.2Low70.4Confident77 Ų7771 Ų7140%0.39535%0.354SS..  trans-95.7134.5166-58.9165.9000106.2A98 R271A98-I269 HydrophobicContact CB-CD1 3.46Å; A98-I269 VanDerWaalsContact CB-CD1 3.46Å; A98-I269 HydrophobicContact CB-CG1 4.34Å; I269-R271 PolarHBondContact O-N 2.94Å
270Y68.4Low70.9Confident86 Ų8668.2 Ų68.234%0.33734%0.338SS..  trans-51.8133.2177.9178.9-99000110.9E272 P277Y270-E272 HydrophobicContact CE1-CG 3.61Å; Y270-E272 WeakPolarHBondContact CE1-OE1 3.47Å; Y270-E272 WeakPolarHBondContact OH-CG 3.46Å; Y270-E272 PolarHBondContact OH-OE1 2.98Å; Y270-P277 HydrophobicContact CE2-CB 3.81Å; Y270-P277 WeakPolarHBondContact OH-CB 3.45Å
271R67.3Low71.1Confident135 Ų13567.4 Ų67.451%0.50933%0.333SS..EExtended strand (participates in β ladder)trans-140.5147.4176.1-70.3-170.7-174.9-166.90.6109.1Y268 I269 L278Y268-R271 PolarHBondContact OH-N 3.17Å; I269-R271 PolarHBondContact O-N 2.94Å; R271-L278 WeakPolarHBondContact O-CB 3.41Å; R271-L278 PolarHBondContact O-N 3.33Å
272E69.2Low71.5Confident93 Ų9363.4 Ų63.444%0.43532%0.319SS..EExtended strand (participates in β ladder)trans-107144.5169.8-64.3-175.3-177.100109.3Y270 F276Y270-E272 HydrophobicContact CE1-CG 3.61Å; Y270-E272 WeakPolarHBondContact CE1-OE1 3.47Å; Y270-E272 WeakPolarHBondContact OH-CG 3.46Å; Y270-E272 PolarHBondContact OH-OE1 2.98Å; E272-F276 WeakPolarHBondContact CA-O 3.44Å
273N67.1Low71.7Confident63 Ų6360.9 Ų60.934%0.33731%0.306SS..EExtended strand (participates in β ladder)trans-124.5114.2172-174.513.4000108.3G275 F276 L278 V289N273-G275 PolarHBondContact O-N 3.45Å; N273-F276 PolarHBondContact N-O 2.84Å; N273-F276 PolarHBondContact O-N 3.43Å; N273-L278 HydrophobicContact CB-CD1 4.04Å; N273-L278 HydrophobicContact CB-CG 4.49Å; N273-V289 WeakPolarHBondContact ND2-CG2 3.48Å
274K67Low71.9Confident190 Ų19061.8 Ų61.883%0.82630%0.303SS*.THydrogen-bonded Turntrans51.640.1-177.5-58.7177.6-179.9-178.10112.9F276K274-F276 VanDerWaalsContact C-N 3.33Å; K274-F276 PolarHBondContact O-N 2.76Å
275G67.4Low72.1Confident60 Ų6063.4 Ų63.462%0.61931%0.308SS*.THydrogen-bonded Turntrans80.63.3-179.400000115.7N273N273-G275 PolarHBondContact O-N 3.45Å
276F68.1Low72.4Confident153 Ų15362.9 Ų62.967%0.67131%0.308SS*.EExtended strand (participates in β ladder)trans-100.8130.7174.3-67.8-82.6000111.9E272 N273 K274 L278E272-F276 WeakPolarHBondContact CA-O 3.44Å; N273-F276 PolarHBondContact N-O 2.84Å; N273-F276 PolarHBondContact O-N 3.43Å; K274-F276 VanDerWaalsContact C-N 3.33Å; K274-F276 PolarHBondContact O-N 2.76Å; F276-L278 PolarHBondContact O-N 2.89Å
277P72.3Confident72.9Confident35 Ų3569 Ų6923%0.22733%0.331CS..EExtended strand (participates in β ladder)trans-70.6126.7178.427.8-34.9000111.5Y270 Y279 H283Y270-P277 HydrophobicContact CE2-CB 3.81Å; Y270-P277 WeakPolarHBondContact OH-CB 3.45Å; P277-Y279 HydrophobicContact CB-CE1 4.07Å; P277-Y279 HydrophobicContact CB-CE2 4.19Å; P277-Y279 HydrophobicContact CG-CE1 4.32Å; P277-Y279 HydrophobicContact CG-CE2 3.92Å; P277-Y279 WeakPolarHBondContact CG-OH 3.49Å; P277-H283 PolarHBondContact O-CE1 2.84Å
278L74.1Confident72.9Confident11 Ų1170.7 Ų70.76%0.05835%0.353CS..EExtended strand (participates in β ladder)trans-95.2131.5166.4-65.4172.2000108Y268 R271 N273 F276 K284 K287Y268-L278 WeakPolarHBondContact CE1-O 3.44Å; Y268-L278 VanDerWaalsContact CZ-O 3.28Å; Y268-L278 WeakPolarHBondContact OH-CA 3.41Å; Y268-L278 WeakPolarHBondContact OH-CB 3.44Å; Y268-L278 PolarHBondContact OH-O 3.21Å; R271-L278 WeakPolarHBondContact O-CB 3.41Å; R271-L278 PolarHBondContact O-N 3.33Å; N273-L278 HydrophobicContact CB-CD1 4.04Å; N273-L278 HydrophobicContact CB-CG 4.49Å; F276-L278 PolarHBondContact O-N 2.89Å; L278-K284 HydrophobicContact CD1-CB 4.43Å; L278-K284 HydrophobicContact CD1-CG 4.24Å; L278-K287 HydrophobicContact CD2-CG 4.24Å
279Y72.4Confident72.9Confident73 Ų7370.1 Ų70.129%0.28636%0.355SS..  trans-107.2-19.9-167.4-63.7-76.1000113.8H221 L225 Y268 P277 H283H221-Y279 AromaticContact CE1-CE2 3.99Å; H221-Y279 AromaticContact ND1-CE2 3.77Å; L225-Y279 HydrophobicContact CD2-CD2 3.77Å; L225-Y279 HydrophobicContact CD2-CE2 4.13Å; Y268-Y279 WeakPolarHBondContact CD1-O 3.45Å; P277-Y279 HydrophobicContact CB-CE1 4.07Å; P277-Y279 HydrophobicContact CB-CE2 4.19Å; P277-Y279 HydrophobicContact CG-CE1 4.32Å; P277-Y279 HydrophobicContact CG-CE2 3.92Å; P277-Y279 WeakPolarHBondContact CG-OH 3.49Å; Y279-H283 AromaticContact CD2-CE1 3.93Å; Y279-H283 AromaticContact CD2-ND1 3.59Å; Y279-H283 PolarHBondContact N-ND1 2.79Å
280S77.9Confident72Confident35 Ų3575.1 Ų75.125%0.24538%0.377CS..SBendtrans-158.8164.618067.70000110.9L282 H283 K284S280-L282 VanDerWaalsContact C-N 3.25Å; S280-L282 PolarHBondContact O-N 2.8Å; S280-H283 WeakPolarHBondContact O-CB 3.44Å; S280-H283 PolarHBondContact O-N 3.36Å; S280-H283 VanDerWaalsContact O-N 3.14Å; S280-H283 WeakPolarHBondContact OG-CB 3.42Å; S280-H283 PolarHBondContact OG-N 3.09Å; S280-K284 PolarHBondContact O-N 3.13Å
281R76.6Confident71.1Confident41 Ų4174.1 Ų74.116%0.15539%0.393CS..Hα-helixtrans-62.3-35.9173.3-58.5-166.183.2-118.1-18.3111.9R89 N262 A263 I264 T265 Y268 K284 W285R89-R281 VanDerWaalsContact CZ-CZ 3.42Å; R89-R281 VanDerWaalsContact NH1-NH2 3.16Å; R89-R281 VanDerWaalsContact NH2-CZ 3.35Å; N262-R281 PolarHBondContact O-NH1 3.25Å; A263-R281 PolarHBondContact O-NH1 3.44Å; A263-R281 PolarHBondContact O-NH2 3.37Å; A263-R281 VanDerWaalsContact O-NH2 3.12Å; I264-R281 WeakPolarHBondContact O-CB 3.3Å; T265-R281 PolarHBondContact O-NH1 2.88Å; Y268-R281 HydrophobicContact CD2-CG 3.73Å; Y268-R281 HydrophobicContact CG-CG 4.26Å; R281-K284 WeakPolarHBondContact O-CB 3.23Å; R281-K284 PolarHBondContact O-N 3.43Å; R281-W285 WeakPolarHBondContact O-CB 3.22Å; R281-W285 PolarHBondContact O-N 3.44Å
282L80.9Confident69.4Low24 Ų2475.6 Ų75.613%0.12641%0.411CS..Hα-helixtrans-62.4-41.4172.9-17863.6000111.7N229 V230 F233 I264 S280 W285 A286N229-L282 HydrophobicContact CB-CD1 4.49Å; N229-L282 HydrophobicContact CB-CD2 3.9Å; N229-L282 HydrophobicContact CB-CG 3.73Å; V230-L282 HydrophobicContact CG2-CD2 3.62Å; F233-L282 HydrophobicContact CB-CD1 3.92Å; F233-L282 HydrophobicContact CD2-CD1 4.11Å; F233-L282 HydrophobicContact CG-CD1 4.14Å; I264-L282 HydrophobicContact CB-CB 4.47Å; I264-L282 HydrophobicContact CB-CD1 4.27Å; I264-L282 HydrophobicContact CD1-CD1 4.25Å; I264-L282 HydrophobicContact CG2-CB 4.42Å; I264-L282 HydrophobicContact CG2-CD1 3.72Å; S280-L282 VanDerWaalsContact C-N 3.25Å; S280-L282 PolarHBondContact O-N 2.8Å; L282-W285 HydrophobicContact CD1-CE3 4.16Å; L282-W285 PolarHBondContact O-N 2.95Å; L282-A286 WeakPolarHBondContact O-CB 3.17Å; L282-A286 PolarHBondContact O-N 2.93Å
283H76.5Confident67.5Low10 Ų1074.5 Ų74.55%0.04642%0.424CS..Hα-helixtrans-65.5-40.2173.4-177.7-158.3000111.7L225 N229 P277 Y279 S280 A286 K287L225-H283 WeakPolarHBondContact CD2-CE1 3.34Å; N229-H283 WeakPolarHBondContact ND2-CA 3.42Å; N229-H283 WeakPolarHBondContact ND2-CB 3.26Å; P277-H283 PolarHBondContact O-CE1 2.84Å; Y279-H283 AromaticContact CD2-CE1 3.93Å; Y279-H283 AromaticContact CD2-ND1 3.59Å; Y279-H283 PolarHBondContact N-ND1 2.79Å; S280-H283 WeakPolarHBondContact O-CB 3.44Å; S280-H283 PolarHBondContact O-N 3.36Å; S280-H283 VanDerWaalsContact O-N 3.14Å; S280-H283 WeakPolarHBondContact OG-CB 3.42Å; S280-H283 PolarHBondContact OG-N 3.09Å; H283-A286 PolarHBondContact O-N 3.45Å; H283-K287 WeakPolarHBondContact O-CG 3.45Å; H283-K287 PolarHBondContact O-N 2.89Å; H283-K287 VanDerWaalsContact O-N 3.1Å
284K80.5Confident66.2Low50 Ų5077.4 Ų77.422%0.21745%0.447CS..Hα-helixtrans-61.2-45.7174.9-175.3-177.9175.9-176.50112L278 S280 R281 K287 G288 V289L278-K284 HydrophobicContact CD1-CB 4.43Å; L278-K284 HydrophobicContact CD1-CG 4.24Å; S280-K284 PolarHBondContact O-N 3.13Å; R281-K284 WeakPolarHBondContact O-CB 3.23Å; R281-K284 PolarHBondContact O-N 3.43Å; K284-K287 PolarHBondContact O-N 3.31Å; K284-G288 PolarHBondContact O-N 3.45Å; K284-V289 VanDerWaalsContact CE-O 3.24Å; K284-V289 WeakPolarHBondContact CE-O 3.47Å; K284-V289 HydrophobicContact CG-CB 4.08Å; K284-V289 PolarHBondContact O-N 3.1Å
285W81.3Confident64.8Low60 Ų6072.7 Ų72.723%0.22744%0.438CS..Hα-helixtrans-62.7-46.9176.6173.684.9000111.6H232 F233 I264 R281 L282 K287 G288H232-W285 AromaticContact ND1-CH2 3.84Å; H232-W285 AromaticContact ND1-CZ3 3.52Å; F233-W285 HydrophobicContact CB-CH2 4.27Å; F233-W285 HydrophobicContact CB-CZ3 3.89Å; F233-W285 HydrophobicContact CD2-CD2 4.24Å; F233-W285 AromaticContact CD2-CE3 3.91Å; F233-W285 HydrophobicContact CD2-CE3 3.91Å; F233-W285 AromaticContact CD2-CH2 3.56Å; F233-W285 HydrophobicContact CD2-CH2 3.56Å; F233-W285 AromaticContact CD2-CZ2 3.9Å; F233-W285 HydrophobicContact CD2-CZ2 3.9Å; F233-W285 AromaticContact CD2-CZ3 3.57Å; F233-W285 HydrophobicContact CD2-CZ3 3.57Å; F233-W285 HydrophobicContact CE2-CH2 4.37Å; F233-W285 HydrophobicContact CE2-CZ2 4.27Å; F233-W285 HydrophobicContact CG-CH2 4.32Å; F233-W285 HydrophobicContact CG-CZ3 4.22Å; I264-W285 HydrophobicContact CG2-CB 3.78Å; I264-W285 HydrophobicContact CG2-CD2 4.16Å; I264-W285 HydrophobicContact CG2-CE3 4.49Å; I264-W285 HydrophobicContact CG2-CG 3.84Å; R281-W285 WeakPolarHBondContact O-CB 3.22Å; R281-W285 PolarHBondContact O-N 3.44Å; L282-W285 HydrophobicContact CD1-CE3 4.16Å; L282-W285 PolarHBondContact O-N 2.95Å; W285-K287 PolarHBondContact O-N 3.38Å; W285-G288 PolarHBondContact O-N 3.44Å
286A78.1Confident63.2Low32 Ų3275.7 Ų75.726%0.26445%0.446SS..Hα-helixtrans-62.7-24.8179.100000113.2N229 L282 H283 G288N229-A286 HydrophobicContact CB-CB 4.19Å; N229-A286 VanDerWaalsContact OD1-CB 3.32Å; N229-A286 WeakPolarHBondContact OD1-CB 3.35Å; L282-A286 WeakPolarHBondContact O-CB 3.17Å; L282-A286 PolarHBondContact O-N 2.93Å; H283-A286 PolarHBondContact O-N 3.45Å; A286-G288 VanDerWaalsContact C-N 3.34Å
287K78.6Confident61.7Low141 Ų14177.2 Ų77.261%0.61346%0.455SS*.THydrogen-bonded Turntrans-84.6-1.3174-76.5-72.2-173.1177.10114.1L278 H283 K284 W285 V289L278-K287 HydrophobicContact CD2-CG 4.24Å; H283-K287 WeakPolarHBondContact O-CG 3.45Å; H283-K287 PolarHBondContact O-N 2.89Å; H283-K287 VanDerWaalsContact O-N 3.1Å; K284-K287 PolarHBondContact O-N 3.31Å; W285-K287 PolarHBondContact O-N 3.38Å; K287-V289 HydrophobicContact CB-CG2 3.9Å; K287-V289 PolarHBondContact O-N 3.04Å
288G70.2Confident59.7Low58 Ų5878.3 Ų78.360%0.59847%0.474SS*.THydrogen-bonded Turntrans65.823.9178.700000114K284 W285 A286 E290K284-G288 PolarHBondContact O-N 3.45Å; W285-G288 PolarHBondContact O-N 3.44Å; A286-G288 VanDerWaalsContact C-N 3.34Å; G288-E290 VanDerWaalsContact C-N 3.28Å; G288-E290 PolarHBondContact O-N 3.01Å
289V69.1Low57.6Low45 Ų4585.3 Ų85.327%0.27351%0.505SS..  trans-82.177.5179.8-170.20000108.7N273 K284 K287N273-V289 WeakPolarHBondContact ND2-CG2 3.48Å; K284-V289 VanDerWaalsContact CE-O 3.24Å; K284-V289 WeakPolarHBondContact CE-O 3.47Å; K284-V289 HydrophobicContact CG-CB 4.08Å; K284-V289 PolarHBondContact O-N 3.1Å; K287-V289 HydrophobicContact CB-CG2 3.9Å; K287-V289 PolarHBondContact O-N 3.04Å
290E48.6Very low55.8Low182 Ų18288.8 Ų88.885%0.8553%0.525SS*.  trans-66.4145.5175.1-72.5-163.1153.400111.8G288G288-E290 VanDerWaalsContact C-N 3.28Å; G288-E290 PolarHBondContact O-N 3.01Å
291G49.8Very low53.6Low65 Ų6594.7 Ų94.767%0.6755%0.55SS*.  trans-85.9112.9-177.400000111.9
292N31.6Very low51.3Low167 Ų16797.8 Ų97.889%0.89357%0.569SS**  trans-79.5115.5147.8-76.3-9.3000107.4
293G30.1Very low49Very low69 Ų69105.7 Ų105.771%0.71160%0.603SS**  trans-77.2177.7155.300000110.1
294P39.9Very low46.8Very low125 Ų125112.2 Ų112.281%0.81264%0.637SS**SBendcis-100.8148.9-31.635.2-23.3000112
295S37.3Very low44.3Very low90 Ų90114 Ų11463%0.62966%0.661SS**  trans60.4135.3166-146.70000117.9E297S295-E297 PolarHBondContact OG-N 3.15Å
296P32.5Very low41.7Very low123 Ų123119 Ų11980%0.79971%0.705SS**  -123.2106.378.217.21.5000111G298P296-G298 PolarHBondContact O-N 3.4Å; P296-G298 VanDerWaalsContact O-N 3.12Å
297E38.3Very low39.9Very low185 Ų185123.4 Ų123.486%0.86473%0.727SS**THydrogen-bonded Turntrans-39.5111.1133.2-66.3-177.8163.500107.7S295S295-E297 PolarHBondContact OG-N 3.15Å
298G30.3Very low37.9Very low59 Ų59122.4 Ų122.461%0.60873%0.733SS**THydrogen-bonded Turntrans164.6-19.2175.200000118.7P296P296-G298 PolarHBondContact O-N 3.4Å; P296-G298 VanDerWaalsContact O-N 3.12Å
299H28.4Very low36.1Very low157 Ų157126 Ų12673%0.72774%0.741SS**SBendtrans-138.62.1-172.2-118.851.4000120.1
300E34.8Very low34.1Very low147 Ų147130.8 Ų130.869%0.68777%0.769SS**SBendtrans-127.925.9176.1-70.6-173.3153.800113.8
301M31.8Very low33.2Very low158 Ų158127.6 Ų127.678%0.77876%0.763SS**SBendtrans-1079.1163.2-74-156.3-7100113.3
302L29.2Very low32.1Very low107 Ų107131.7 Ų131.756%0.5677%0.77SS**THydrogen-bonded Turntrans-84.6-5.9179.4-103.1155.3000114.5
303F31.3Very low32.2Very low190 Ų190129.2 Ų129.283%0.83376%0.761SS**THydrogen-bonded Turntrans-104.97.7177.9-73.8-73.2000114.6
304L31.1Very low32.3Very low147 Ų147133.8 Ų133.877%0.7777%0.765SS**SBendtrans-117.36.4172.7-68.5175.7000113.3
305A27.5Very low31.7Very low87 Ų87134.6 Ų134.672%0.71976%0.761SS**  trans-13632.2178.900000112.9
306S27.9Very low31.2Very low165 Ų165138.6 Ų138.6100%1.15477%0.773SS**  trans-134.50168.1-64.20000110.2

Retrieved 306 of 306 residues in 257.8 ms (Link to these results)

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