A0A077Z280_TRITR Loading...

Nose resistant-to-fluoxetine protein N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z280, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 151 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
1M44.8Very low50.4Low206 Ų20683.8 Ų83.8100%1.01547%0.472SS*.  0-29.80-87.6179173.300114N5M1-N5 PolarHBondContact O-N 3.5Å
2T51Low51Low125 Ų12580.6 Ų80.677%0.76746%0.457SS*.Hα-helixtrans-67.3-44.3179.318.30000114.4V4 N5 E6T2-V4 VanDerWaalsContact C-N 3.34Å; T2-V4 PolarHBondContact O-N 2.81Å; T2-N5 PolarHBondContact O-N 3.4Å; T2-E6 PolarHBondContact O-N 2.84Å; T2-E6 VanDerWaalsContact O-N 3.08Å
3A41.8Very low51.8Low71 Ų7184.1 Ų84.159%0.58747%0.473SS*.Hα-helixtrans-64-36.7-178.300000113.3E6 A7A3-E6 PolarHBondContact O-N 3.47Å; A3-A7 WeakPolarHBondContact O-CB 3.45Å; A3-A7 PolarHBondContact O-N 3.38Å
4V40.7Very low52Low22 Ų2281 Ų8113%0.13346%0.455CS..Hα-helixtrans-65.4-47.9177.8176.50000110.4T2 E6 A7 L8 L92 A95 E96T2-V4 VanDerWaalsContact C-N 3.34Å; T2-V4 PolarHBondContact O-N 2.81Å; V4-E6 VanDerWaalsContact C-N 3.31Å; V4-E6 PolarHBondContact O-N 3.34Å; V4-A7 PolarHBondContact O-N 3.46Å; V4-L8 HydrophobicContact CG1-CD1 3.84Å; V4-L8 HydrophobicContact CG1-CG 4.16Å; V4-L8 WeakPolarHBondContact O-CB 3.34Å; V4-L8 VanDerWaalsContact O-CG 3.23Å; V4-L8 WeakPolarHBondContact O-CG 3.49Å; V4-L8 PolarHBondContact O-N 3.08Å; V4-L92 HydrophobicContact CB-CD2 4.41Å; V4-L92 HydrophobicContact CG1-CD2 4.22Å; V4-L92 HydrophobicContact CG2-CD2 4.43Å; V4-A95 HydrophobicContact CG2-CB 4.3Å; V4-E96 WeakPolarHBondContact CG1-OE1 3.35Å
5N50Low52.5Low107 Ų10775.8 Ų75.857%0.57243%0.425SS*.Hα-helixtrans-63.8-36.3178.8-71.3-14.3000112.6M1 T2 S9M1-N5 PolarHBondContact O-N 3.5Å; T2-N5 PolarHBondContact O-N 3.4Å; N5-S9 PolarHBondContact O-N 3.36Å
6E54.2Low52.9Low109 Ų10974.8 Ų74.851%0.50942%0.419SS..Hα-helixtrans-69.1-38.4175.6-165.3-165.9147.200112.3T2 A3 V4 S9 K10T2-E6 PolarHBondContact O-N 2.84Å; T2-E6 VanDerWaalsContact O-N 3.08Å; A3-E6 PolarHBondContact O-N 3.47Å; V4-E6 VanDerWaalsContact C-N 3.31Å; V4-E6 PolarHBondContact O-N 3.34Å; E6-S9 PolarHBondContact O-N 3.23Å; E6-S9 PolarHBondContact O-OG 3.29Å; E6-K10 IonicContact OE1-NZ 2.67Å; E6-K10 PolarHBondContact OE1-NZ 3.04Å
7A46.5Very low53.2Low29 Ų2975.6 Ų75.624%0.2442%0.419CS..Hα-helixtrans-72.3-39.4176.600000111A3 V4 S9 K10 I11 L92A3-A7 WeakPolarHBondContact O-CB 3.45Å; A3-A7 PolarHBondContact O-N 3.38Å; V4-A7 PolarHBondContact O-N 3.46Å; A7-S9 VanDerWaalsContact C-N 3.27Å; A7-S9 PolarHBondContact O-N 2.96Å; A7-K10 PolarHBondContact O-N 3.34Å; A7-K10 VanDerWaalsContact O-N 3.14Å; A7-I11 WeakPolarHBondContact O-CG1 3.36Å; A7-I11 PolarHBondContact O-N 3.38Å; A7-L92 HydrophobicContact CB-CD1 3.71Å; A7-L92 HydrophobicContact CB-CD2 3.46Å; A7-L92 VanDerWaalsContact CB-CD2 3.46Å; A7-L92 HydrophobicContact CB-CG 3.63Å
8L49.6Very low53.2Low64 Ų6472.3 Ų72.334%0.33540%0.4SS..Hα-helixtrans-59.7-34.1172.7-72.6175.1000112.5V4 K10 I11V4-L8 HydrophobicContact CG1-CD1 3.84Å; V4-L8 HydrophobicContact CG1-CG 4.16Å; V4-L8 WeakPolarHBondContact O-CB 3.34Å; V4-L8 VanDerWaalsContact O-CG 3.23Å; V4-L8 WeakPolarHBondContact O-CG 3.49Å; V4-L8 PolarHBondContact O-N 3.08Å; L8-K10 VanDerWaalsContact C-N 3.28Å; L8-K10 PolarHBondContact O-N 3.16Å; L8-I11 HydrophobicContact CD2-CD1 3.63Å; L8-I11 WeakPolarHBondContact O-CB 3.23Å; L8-I11 PolarHBondContact O-N 3.41Å
9S60Low53.4Low79 Ų7973.7 Ų73.755%0.55240%0.399SS*.Hα-helixtrans-70.8-22.4178740000113.6N5 E6 A7N5-S9 PolarHBondContact O-N 3.36Å; E6-S9 PolarHBondContact O-N 3.23Å; E6-S9 PolarHBondContact O-OG 3.29Å; A7-S9 VanDerWaalsContact C-N 3.27Å; A7-S9 PolarHBondContact O-N 2.96Å
10K60.4Low53.5Low100 Ų10076.6 Ų76.644%0.43541%0.414SS..Hα-helixtrans-86.2-18.6177.2-65.5174.5-170.61680113E6 A7 L8 L13 L14E6-K10 IonicContact OE1-NZ 2.67Å; E6-K10 PolarHBondContact OE1-NZ 3.04Å; A7-K10 PolarHBondContact O-N 3.34Å; A7-K10 VanDerWaalsContact O-N 3.14Å; L8-K10 VanDerWaalsContact C-N 3.28Å; L8-K10 PolarHBondContact O-N 3.16Å; K10-L13 PolarHBondContact O-N 3.14Å; K10-L14 HydrophobicContact CB-CD1 4.25Å; K10-L14 WeakPolarHBondContact O-CG 3.47Å; K10-L14 PolarHBondContact O-N 3.38Å; K10-L14 VanDerWaalsContact O-N 3.16Å
11I55.1Low53.4Low10 Ų1076.2 Ų76.25%0.05141%0.411CS..Hα-helixtrans-56.4-46.4-177.1-72.7179.3000113.2A7 L8 L13 L14 V15 L41 I45 L92A7-I11 WeakPolarHBondContact O-CG1 3.36Å; A7-I11 PolarHBondContact O-N 3.38Å; L8-I11 HydrophobicContact CD2-CD1 3.63Å; L8-I11 WeakPolarHBondContact O-CB 3.23Å; L8-I11 PolarHBondContact O-N 3.41Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 2.82Å; I11-L14 PolarHBondContact O-N 3.14Å; I11-V15 HydrophobicContact CG2-CG2 4.06Å; I11-V15 WeakPolarHBondContact O-CB 3.48Å; I11-V15 WeakPolarHBondContact O-CG2 3.33Å; I11-V15 PolarHBondContact O-N 2.76Å; I11-L41 HydrophobicContact CD1-CD1 4.07Å; I11-I45 HydrophobicContact CG2-CD1 3.67Å; I11-I45 HydrophobicContact CG2-CG1 3.35Å; I11-L92 HydrophobicContact CD1-CD1 4.3Å
12P58.5Low53.7Low45 Ų4567.6 Ų67.629%0.29237%0.37SS..Hα-helixtrans-59.3-40.4-179.6-25.435.1000113.3V15 D16P12-V15 PolarHBondContact O-N 2.77Å; P12-D16 PolarHBondContact O-N 3.44Å
13L60.4Low54Low126 Ų12671.6 Ų71.666%0.6637%0.371SS*.Hα-helixtrans-63.9-47.6177.6-66.9172.7000111.5K10 I11 V15 D16 E17K10-L13 PolarHBondContact O-N 3.14Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 2.82Å; L13-V15 PolarHBondContact O-N 2.79Å; L13-D16 PolarHBondContact O-N 3.08Å; L13-E17 WeakPolarHBondContact O-CB 3.46Å; L13-E17 PolarHBondContact O-N 3.05Å
14L55.5Low54.8Low41 Ų4169.9 Ų69.922%0.21535%0.351CS..Hα-helixtrans-60.7-35.3177.5-73.6160.3000111.5K10 I11 E17 I18 L85K10-L14 HydrophobicContact CB-CD1 4.25Å; K10-L14 WeakPolarHBondContact O-CG 3.47Å; K10-L14 PolarHBondContact O-N 3.38Å; K10-L14 VanDerWaalsContact O-N 3.16Å; I11-L14 PolarHBondContact O-N 3.14Å; L14-E17 WeakPolarHBondContact O-CB 3.34Å; L14-E17 PolarHBondContact O-N 3.44Å; L14-I18 WeakPolarHBondContact O-CD1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.47Å; L14-I18 PolarHBondContact O-N 2.84Å; L14-L85 HydrophobicContact CB-CD1 4.02Å; L14-L85 HydrophobicContact CD1-CD1 3.59Å; L14-L85 HydrophobicContact CD2-CD1 4.08Å; L14-L85 HydrophobicContact CG-CD1 4.09Å
15V58.9Low55.9Low3 Ų372.3 Ų72.32%0.01836%0.363CS..Hα-helixtrans-74.1-42.1-179.3170.30000112I11 P12 L13 E17 I18 R19 L29 I45 L49I11-V15 HydrophobicContact CG2-CG2 4.06Å; I11-V15 WeakPolarHBondContact O-CB 3.48Å; I11-V15 WeakPolarHBondContact O-CG2 3.33Å; I11-V15 PolarHBondContact O-N 2.76Å; P12-V15 PolarHBondContact O-N 2.77Å; L13-V15 PolarHBondContact O-N 2.79Å; V15-E17 PolarHBondContact O-N 2.95Å; V15-I18 PolarHBondContact O-N 3.1Å; V15-R19 VanDerWaalsContact O-CB 3.28Å; V15-R19 WeakPolarHBondContact O-CB 3.18Å; V15-R19 PolarHBondContact O-N 3.41Å; V15-L29 HydrophobicContact CG1-CD2 3.41Å; V15-L29 VanDerWaalsContact CG1-CD2 3.41Å; V15-I45 HydrophobicContact CB-CG2 4.09Å; V15-I45 HydrophobicContact CG1-CG2 3.7Å; V15-I45 HydrophobicContact CG2-CB 4.42Å; V15-I45 HydrophobicContact CG2-CD1 4Å; V15-I45 HydrophobicContact CG2-CG1 4.2Å; V15-I45 HydrophobicContact CG2-CG2 3.38Å; V15-L49 HydrophobicContact CG1-CD1 3.34Å; V15-L49 HydrophobicContact CG1-CD2 3.83Å; V15-L49 HydrophobicContact CG1-CG 3.8Å
16D59.6Low56.7Low59 Ų5969.1 Ų69.132%0.31635%0.35SS..Hα-helixtrans-61.3-36.7172.4-81.5-24000111.1P12 L13 R19 N20P12-D16 PolarHBondContact O-N 3.44Å; L13-D16 PolarHBondContact O-N 3.08Å; D16-R19 PolarHBondContact O-N 3.36Å; D16-N20 WeakPolarHBondContact O-CB 3.47Å; D16-N20 VanDerWaalsContact O-CG 3.23Å; D16-N20 PolarHBondContact O-N 3.46Å; D16-N20 PolarHBondContact O-ND2 2.84Å
17E57.2Low57.2Low90 Ų9069.4 Ų69.442%0.42135%0.354SS..Hα-helixtrans-65-49.8174.3-176.6160.2-14300111.8L13 L14 V15 R19 N20 L21L13-E17 WeakPolarHBondContact O-CB 3.46Å; L13-E17 PolarHBondContact O-N 3.05Å; L14-E17 WeakPolarHBondContact O-CB 3.34Å; L14-E17 PolarHBondContact O-N 3.44Å; V15-E17 PolarHBondContact O-N 2.95Å; E17-R19 VanDerWaalsContact C-N 3.31Å; E17-R19 PolarHBondContact O-N 3.19Å; E17-N20 PolarHBondContact O-N 3.28Å; E17-L21 HydrophobicContact CG-CD1 3.61Å; E17-L21 WeakPolarHBondContact O-CB 3.46Å; E17-L21 VanDerWaalsContact O-CD1 3.26Å; E17-L21 WeakPolarHBondContact O-CD1 3.42Å; E17-L21 WeakPolarHBondContact O-CG 3.47Å; E17-L21 PolarHBondContact O-N 2.91Å
18I53.9Low58.1Low15 Ų1572.7 Ų72.78%0.07736%0.364CS..Hα-helixtrans-57.3-44.7173.3-66.7160.6000110.8L14 V15 L21 T22 L29 L85L14-I18 WeakPolarHBondContact O-CD1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.47Å; L14-I18 PolarHBondContact O-N 2.84Å; V15-I18 PolarHBondContact O-N 3.1Å; I18-L21 PolarHBondContact O-N 3.12Å; I18-T22 HydrophobicContact CG2-CG2 3.93Å; I18-T22 WeakPolarHBondContact O-CB 3.3Å; I18-T22 WeakPolarHBondContact O-CG2 3.27Å; I18-T22 PolarHBondContact O-N 3.35Å; I18-T22 PolarHBondContact O-OG1 2.86Å; I18-L29 HydrophobicContact CG2-CD1 3.64Å; I18-L85 HydrophobicContact CD1-CD2 3.23Å; I18-L85 HydrophobicContact CG1-CD2 3.97Å
19R57.2Low58.6Low100 Ų10069.9 Ų69.938%0.37735%0.349SS..Hα-helixtrans-61.3-45179173.5170.9-174-153.71.5111.3V15 D16 E17 L21 R23 M24V15-R19 VanDerWaalsContact O-CB 3.28Å; V15-R19 WeakPolarHBondContact O-CB 3.18Å; V15-R19 PolarHBondContact O-N 3.41Å; D16-R19 PolarHBondContact O-N 3.36Å; E17-R19 VanDerWaalsContact C-N 3.31Å; E17-R19 PolarHBondContact O-N 3.19Å; R19-L21 VanDerWaalsContact C-N 3.3Å; R19-L21 PolarHBondContact O-N 3.39Å; R19-R23 WeakPolarHBondContact O-CA 3.41Å; R19-R23 PolarHBondContact O-N 3Å; R19-M24 WeakPolarHBondContact CG-O 3.49Å
20N55.4Low58.7Low131 Ų13169.1 Ų69.170%0.70134%0.337SS*.Hα-helixtrans-64.6-36.5177.5-77.1-27.5000112.1D16 E17D16-N20 WeakPolarHBondContact O-CB 3.47Å; D16-N20 VanDerWaalsContact O-CG 3.23Å; D16-N20 PolarHBondContact O-N 3.46Å; D16-N20 PolarHBondContact O-ND2 2.84Å; E17-N20 PolarHBondContact O-N 3.28Å
21L50.5Low58.7Low69 Ų6967.6 Ų67.636%0.36134%0.339SS..Hα-helixtrans-79.7-46.8-176.8-71.9160.3000113.1E17 I18 R19 C78E17-L21 HydrophobicContact CG-CD1 3.61Å; E17-L21 WeakPolarHBondContact O-CB 3.46Å; E17-L21 VanDerWaalsContact O-CD1 3.26Å; E17-L21 WeakPolarHBondContact O-CD1 3.42Å; E17-L21 WeakPolarHBondContact O-CG 3.47Å; E17-L21 PolarHBondContact O-N 2.91Å; I18-L21 PolarHBondContact O-N 3.12Å; R19-L21 VanDerWaalsContact C-N 3.3Å; R19-L21 PolarHBondContact O-N 3.39Å; L21-C78 HydrophobicContact CD1-CB 3.85Å; L21-C78 WeakPolarHBondContact CD1-SG 3.36Å; L21-C78 HydrophobicContact CD2-CB 3.76Å; L21-C78 HydrophobicContact CG-CB 4.3Å
22T52.4Low58.8Low25 Ų2568 Ų6815%0.15334%0.341CS..Hα-helixtrans-85.5-18.2-177.762.80000112.9I18 M24 F119I18-T22 HydrophobicContact CG2-CG2 3.93Å; I18-T22 WeakPolarHBondContact O-CB 3.3Å; I18-T22 WeakPolarHBondContact O-CG2 3.27Å; I18-T22 PolarHBondContact O-N 3.35Å; I18-T22 PolarHBondContact O-OG1 2.86Å; T22-M24 HydrophobicContact CG2-CE 4.36Å; T22-M24 HydrophobicContact CG2-SD 4.46Å; T22-M24 PolarHBondContact O-N 3.18Å; T22-M24 WeakPolarHBondContact OG1-CB 3.26Å; T22-M24 WeakPolarHBondContact OG1-CG 3.14Å; T22-M24 PolarHBondContact OG1-N 3.43Å; T22-F119 HydrophobicContact CG2-CD1 4.32Å; T22-F119 HydrophobicContact CG2-CE1 4.38Å
23R56.1Low58.8Low208 Ų20866.5 Ų66.579%0.78533%0.33SS*.  trans58.221.5-168.2-56.8-177.4172-175.9-2.3113.5R19R19-R23 WeakPolarHBondContact O-CA 3.41Å; R19-R23 PolarHBondContact O-N 3Å
24M58.9Low58.6Low36 Ų3667.8 Ų67.818%0.17733%0.33CS..  trans-72.5137.2177.7-71.7177.9-171.200111.4R19 T22 Q28 L32R19-M24 WeakPolarHBondContact CG-O 3.49Å; T22-M24 HydrophobicContact CG2-CE 4.36Å; T22-M24 HydrophobicContact CG2-SD 4.46Å; T22-M24 PolarHBondContact O-N 3.18Å; T22-M24 WeakPolarHBondContact OG1-CB 3.26Å; T22-M24 WeakPolarHBondContact OG1-CG 3.14Å; T22-M24 PolarHBondContact OG1-N 3.43Å; M24-Q28 HydrophobicContact CB-CB 3.84Å; M24-Q28 HydrophobicContact CG-CB 4.03Å; M24-L32 HydrophobicContact SD-CD2 4.26Å
25D64.7Low58.4Low72 Ų7269.3 Ų69.339%0.38535%0.349SS..  trans-76173.8167.266.643.2000111.4I27 Q28 L29D25-I27 PolarHBondContact O-N 3.07Å; D25-I27 WeakPolarHBondContact OD1-CA 3.44Å; D25-I27 WeakPolarHBondContact OD1-CB 3.17Å; D25-I27 PolarHBondContact OD1-N 3.4Å; D25-Q28 PolarHBondContact O-N 3.2Å; D25-Q28 WeakPolarHBondContact OD1-CG 3.49Å; D25-Q28 PolarHBondContact OD1-N 3.16Å; D25-L29 WeakPolarHBondContact O-CB 3.49Å; D25-L29 PolarHBondContact O-N 3.1Å
26S65.2Low57.9Low41 Ų4169.6 Ų69.629%0.28735%0.351SS..Hα-helixtrans-61.4-30.2-178.949.80000113.3E30 V46S26-E30 WeakPolarHBondContact O-CB 3.48Å; S26-E30 PolarHBondContact O-N 3.15Å; S26-V46 WeakPolarHBondContact O-CG2 3.42Å
27I66.1Low57.4Low115 Ų11569.9 Ų69.959%0.5937%0.368SS*.Hα-helixtrans-74.6-42179.5-57.1173.3000110.1D25 L29 E30 S31D25-I27 PolarHBondContact O-N 3.07Å; D25-I27 WeakPolarHBondContact OD1-CA 3.44Å; D25-I27 WeakPolarHBondContact OD1-CB 3.17Å; D25-I27 PolarHBondContact OD1-N 3.4Å; I27-L29 VanDerWaalsContact C-N 3.32Å; I27-E30 PolarHBondContact O-N 3.09Å; I27-S31 WeakPolarHBondContact O-CB 3.42Å; I27-S31 PolarHBondContact O-N 3.41Å; I27-S31 PolarHBondContact O-OG 3.06Å
28Q64.1Low57.1Low98 Ų9866.1 Ų66.146%0.45835%0.351SS..Hα-helixtrans-63.8-41.7175.6-71.3178.9-12.600110.8M24 D25 S31 L32M24-Q28 HydrophobicContact CB-CB 3.84Å; M24-Q28 HydrophobicContact CG-CB 4.03Å; D25-Q28 PolarHBondContact O-N 3.2Å; D25-Q28 WeakPolarHBondContact OD1-CG 3.49Å; D25-Q28 PolarHBondContact OD1-N 3.16Å; Q28-S31 PolarHBondContact O-N 3.47Å; Q28-L32 WeakPolarHBondContact O-CB 3.26Å; Q28-L32 PolarHBondContact O-N 3.11Å
29L61.4Low57.1Low4 Ų466.8 Ų66.82%0.02136%0.361CS..Hα-helixtrans-66.1-42.6175.4-163.977.8000111.9V15 I18 D25 I27 S31 L32 F33 I45 L49V15-L29 HydrophobicContact CG1-CD2 3.41Å; V15-L29 VanDerWaalsContact CG1-CD2 3.41Å; I18-L29 HydrophobicContact CG2-CD1 3.64Å; D25-L29 WeakPolarHBondContact O-CB 3.49Å; D25-L29 PolarHBondContact O-N 3.1Å; I27-L29 VanDerWaalsContact C-N 3.32Å; L29-S31 VanDerWaalsContact C-N 3.29Å; L29-S31 PolarHBondContact O-N 3.24Å; L29-L32 HydrophobicContact CD1-CD2 4.19Å; L29-L32 WeakPolarHBondContact O-CB 3.46Å; L29-L32 PolarHBondContact O-N 3.29Å; L29-F33 HydrophobicContact CD1-CE2 4.11Å; L29-F33 HydrophobicContact CD2-CD2 4.49Å; L29-F33 HydrophobicContact CD2-CE2 3.83Å; L29-F33 HydrophobicContact CG-CD2 3.96Å; L29-F33 HydrophobicContact CG-CE2 3.6Å; L29-F33 WeakPolarHBondContact O-CD2 3.37Å; L29-F33 PolarHBondContact O-N 2.9Å; L29-I45 HydrophobicContact CD2-CG2 4.07Å; L29-L49 HydrophobicContact CD2-CD1 4.25Å
30E61.4Low57Low63 Ų6366.9 Ų66.929%0.29438%0.378SS..Hα-helixtrans-60-42.8173.7-160.8-176.1153.800111.5S26 I27 L32 F33 K34 V46S26-E30 WeakPolarHBondContact O-CB 3.48Å; S26-E30 PolarHBondContact O-N 3.15Å; I27-E30 PolarHBondContact O-N 3.09Å; E30-L32 VanDerWaalsContact C-N 3.33Å; E30-L32 PolarHBondContact O-N 3.41Å; E30-F33 PolarHBondContact O-N 3.46Å; E30-K34 VanDerWaalsContact O-CB 3.3Å; E30-K34 WeakPolarHBondContact O-CB 3.44Å; E30-K34 PolarHBondContact O-N 3.32Å; E30-V46 HydrophobicContact CB-CG2 3.99Å; E30-V46 HydrophobicContact CG-CG2 4.37Å
31S59.6Low56.9Low68 Ų6862.3 Ų62.348%0.47635%0.353SS..Hα-helixtrans-64.7-39.4178.8-610000111.4I27 Q28 L29 K34 A35I27-S31 WeakPolarHBondContact O-CB 3.42Å; I27-S31 PolarHBondContact O-N 3.41Å; I27-S31 PolarHBondContact O-OG 3.06Å; Q28-S31 PolarHBondContact O-N 3.47Å; L29-S31 VanDerWaalsContact C-N 3.29Å; L29-S31 PolarHBondContact O-N 3.24Å; S31-K34 PolarHBondContact O-N 3.3Å; S31-A35 WeakPolarHBondContact O-CB 3.11Å; S31-A35 PolarHBondContact O-N 2.9Å
32L57.2Low57.2Low19 Ų1959 Ų5910%0.09934%0.336CS..Hα-helixtrans-59.4-52.3173-176.979.4000110.6M24 Q28 L29 E30 K34 A35 A36 S118 F119M24-L32 HydrophobicContact SD-CD2 4.26Å; Q28-L32 WeakPolarHBondContact O-CB 3.26Å; Q28-L32 PolarHBondContact O-N 3.11Å; L29-L32 HydrophobicContact CD1-CD2 4.19Å; L29-L32 WeakPolarHBondContact O-CB 3.46Å; L29-L32 PolarHBondContact O-N 3.29Å; E30-L32 VanDerWaalsContact C-N 3.33Å; E30-L32 PolarHBondContact O-N 3.41Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 2.94Å; L32-A35 PolarHBondContact O-N 3.27Å; L32-A36 WeakPolarHBondContact O-CB 3.35Å; L32-A36 PolarHBondContact O-N 3.01Å; L32-S118 WeakPolarHBondContact CD1-O 3.29Å; L32-S118 WeakPolarHBondContact CD1-OG 3.37Å; L32-F119 HydrophobicContact CD2-CE1 3.72Å; L32-F119 HydrophobicContact CD2-CZ 3.78Å
33F58.7Low57.7Low13 Ų1364.8 Ų64.86%0.05736%0.355CS..Hα-helixtrans-60.7-40.6176.7-77.6-64.4000111.9L29 E30 A36 G37 L38 L41 G42 I45L29-F33 HydrophobicContact CD1-CE2 4.11Å; L29-F33 HydrophobicContact CD2-CD2 4.49Å; L29-F33 HydrophobicContact CD2-CE2 3.83Å; L29-F33 HydrophobicContact CG-CD2 3.96Å; L29-F33 HydrophobicContact CG-CE2 3.6Å; L29-F33 WeakPolarHBondContact O-CD2 3.37Å; L29-F33 PolarHBondContact O-N 2.9Å; E30-F33 PolarHBondContact O-N 3.46Å; F33-A36 PolarHBondContact O-N 3Å; F33-G37 PolarHBondContact O-N 3.35Å; F33-L38 HydrophobicContact CB-CB 4.23Å; F33-L38 HydrophobicContact CD1-CB 3.96Å; F33-L38 HydrophobicContact CD1-CD1 3.88Å; F33-L38 HydrophobicContact CE1-CD1 4.35Å; F33-L38 CarbonylContact O-C 3.36Å; F33-L38 VanDerWaalsContact O-CA 3.29Å; F33-L38 WeakPolarHBondContact O-CA 3.47Å; F33-L38 WeakPolarHBondContact O-CB 3.35Å; F33-L38 PolarHBondContact O-N 3Å; F33-L41 HydrophobicContact CE1-CD2 4.35Å; F33-G42 VanDerWaalsContact CB-CA 3.42Å; F33-G42 VanDerWaalsContact CD2-CA 3.46Å; F33-G42 VanDerWaalsContact CG-CA 3.47Å; F33-I45 HydrophobicContact CD2-CD1 4.41Å; F33-I45 HydrophobicContact CE1-CD1 3.91Å; F33-I45 HydrophobicContact CE2-CB 4.47Å; F33-I45 HydrophobicContact CE2-CD1 3.62Å; F33-I45 HydrophobicContact CE2-CG2 4.16Å; F33-I45 HydrophobicContact CZ-CD1 3.35Å
34K57.1Low57.8Low153 Ų15358.5 Ų58.567%0.66534%0.336SS*.Hα-helixtrans-64.1-42.6176.7-169.7176.3-178.6-179.60112E30 S31 L32 A36 G37E30-K34 VanDerWaalsContact O-CB 3.3Å; E30-K34 WeakPolarHBondContact O-CB 3.44Å; E30-K34 PolarHBondContact O-N 3.32Å; S31-K34 PolarHBondContact O-N 3.3Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 2.94Å; K34-A36 VanDerWaalsContact C-N 3.29Å; K34-A36 PolarHBondContact O-N 3.02Å; K34-G37 PolarHBondContact O-N 2.75Å; K34-G37 VanDerWaalsContact O-N 3.09Å
35A50.2Low57.8Low74 Ų7457.1 Ų57.161%0.61233%0.329SS*.Hα-helixtrans-64.4-34.3175.900000112.1S31 L32 G37S31-A35 WeakPolarHBondContact O-CB 3.11Å; S31-A35 PolarHBondContact O-N 2.9Å; L32-A35 PolarHBondContact O-N 3.27Å; A35-G37 PolarHBondContact O-N 2.88Å
36A49.5Very low57.6Low8 Ų854.3 Ų54.37%0.06632%0.315CS..THydrogen-bonded Turntrans-74.8-0.6173.600000114.5L32 F33 K34 L38 W111 V115L32-A36 WeakPolarHBondContact O-CB 3.35Å; L32-A36 PolarHBondContact O-N 3.01Å; F33-A36 PolarHBondContact O-N 3Å; K34-A36 VanDerWaalsContact C-N 3.29Å; K34-A36 PolarHBondContact O-N 3.02Å; A36-L38 VanDerWaalsContact C-N 3.26Å; A36-L38 HydrophobicContact CB-CD1 3.91Å; A36-L38 HydrophobicContact CB-CG 4.14Å; A36-L38 PolarHBondContact O-N 3.49Å; A36-W111 PolarHBondContact O-NE1 2.8Å; A36-V115 HydrophobicContact CB-CG2 3.7Å
37G47.9Very low57.6Low65 Ų6557.4 Ų57.467%0.6733%0.325SS*.THydrogen-bonded Turntrans75.512.5-174.900000114.2F33 K34 A35F33-G37 PolarHBondContact O-N 3.35Å; K34-G37 PolarHBondContact O-N 2.75Å; K34-G37 VanDerWaalsContact O-N 3.09Å; A35-G37 PolarHBondContact O-N 2.88Å
38L51.8Low57.1Low12 Ų1255.1 Ų55.16%0.06331%0.314CS..  trans-103.529.1-178.4-59.3167.9000111.8F33 A36 S40 L41 G42 F93 W111F33-L38 HydrophobicContact CB-CB 4.23Å; F33-L38 HydrophobicContact CD1-CB 3.96Å; F33-L38 HydrophobicContact CD1-CD1 3.88Å; F33-L38 HydrophobicContact CE1-CD1 4.35Å; F33-L38 CarbonylContact O-C 3.36Å; F33-L38 VanDerWaalsContact O-CA 3.29Å; F33-L38 WeakPolarHBondContact O-CA 3.47Å; F33-L38 WeakPolarHBondContact O-CB 3.35Å; F33-L38 PolarHBondContact O-N 3Å; A36-L38 VanDerWaalsContact C-N 3.26Å; A36-L38 HydrophobicContact CB-CD1 3.91Å; A36-L38 HydrophobicContact CB-CG 4.14Å; A36-L38 PolarHBondContact O-N 3.49Å; L38-S40 PolarHBondContact O-N 3.29Å; L38-S40 VanDerWaalsContact O-N 3.13Å; L38-L41 HydrophobicContact CB-CB 4.25Å; L38-L41 HydrophobicContact CB-CD2 4.49Å; L38-L41 HydrophobicContact CD1-CD2 4.46Å; L38-L41 HydrophobicContact CD2-CD2 4.41Å; L38-L41 WeakPolarHBondContact O-CB 3.47Å; L38-L41 PolarHBondContact O-N 3.46Å; L38-G42 PolarHBondContact O-N 3.36Å; L38-F93 HydrophobicContact CD2-CD2 4.48Å; L38-W111 HydrophobicContact CD1-CZ2 3.67Å; L38-W111 HydrophobicContact CD2-CZ2 3.96Å; L38-W111 HydrophobicContact CG-CZ2 4.18Å
39G53.1Low56.8Low28 Ų2851 Ų5129%0.28929%0.294SS..Hα-helixtrans-56.4-33.8-171.800000114.6R43G39-R43 WeakPolarHBondContact O-CB 3.4Å; G39-R43 PolarHBondContact O-N 3.37Å
40S55.9Low56.4Low103 Ų10354.7 Ų54.772%0.7232%0.315SS*.Hα-helixtrans-68.4-43.6174.6500000112.5L38 R43 L44L38-S40 PolarHBondContact O-N 3.29Å; L38-S40 VanDerWaalsContact O-N 3.13Å; S40-R43 PolarHBondContact O-N 3.4Å; S40-L44 PolarHBondContact O-N 3.36Å
41L54Low56Low35 Ų3558 Ų5818%0.18333%0.33CS..Hα-helixtrans-66-44.8175.6-179.168.9000111.1I11 F33 L38 R43 L44 I45 L89I11-L41 HydrophobicContact CD1-CD1 4.07Å; F33-L41 HydrophobicContact CE1-CD2 4.35Å; L38-L41 HydrophobicContact CB-CB 4.25Å; L38-L41 HydrophobicContact CB-CD2 4.49Å; L38-L41 HydrophobicContact CD1-CD2 4.46Å; L38-L41 HydrophobicContact CD2-CD2 4.41Å; L38-L41 WeakPolarHBondContact O-CB 3.47Å; L38-L41 PolarHBondContact O-N 3.46Å; L41-R43 VanDerWaalsContact C-N 3.29Å; L41-R43 PolarHBondContact O-N 2.84Å; L41-L44 PolarHBondContact O-N 2.89Å; L41-I45 HydrophobicContact CD1-CD1 4.29Å; L41-I45 HydrophobicContact CD2-CD1 4.43Å; L41-I45 HydrophobicContact CG-CD1 3.87Å; L41-I45 WeakPolarHBondContact O-CB 3.24Å; L41-I45 VanDerWaalsContact O-CG1 3.26Å; L41-I45 WeakPolarHBondContact O-CG1 3.37Å; L41-I45 PolarHBondContact O-N 2.79Å; L41-L89 HydrophobicContact CD2-CD2 3.71Å
42G56.9Low55.3Low0 Ų057.9 Ų57.90%033%0.326CS..Hα-helixtrans-58-42.2175.900000112.2F33 L38 I45 V46F33-G42 VanDerWaalsContact CB-CA 3.42Å; F33-G42 VanDerWaalsContact CD2-CA 3.46Å; F33-G42 VanDerWaalsContact CG-CA 3.47Å; L38-G42 PolarHBondContact O-N 3.36Å; G42-I45 PolarHBondContact O-N 2.82Å; G42-V46 WeakPolarHBondContact O-CB 3.47Å; G42-V46 WeakPolarHBondContact O-CG2 3.19Å; G42-V46 PolarHBondContact O-N 3.06Å
43R61.2Low54.6Low146 Ų14660.6 Ų60.655%0.55134%0.341SS*.Hα-helixtrans-63.1-48173.9-173.4179.5-63.7-162.4-1.2112G39 S40 L41 I45 V46 E47G39-R43 WeakPolarHBondContact O-CB 3.4Å; G39-R43 PolarHBondContact O-N 3.37Å; S40-R43 PolarHBondContact O-N 3.4Å; L41-R43 VanDerWaalsContact C-N 3.29Å; L41-R43 PolarHBondContact O-N 2.84Å; R43-I45 PolarHBondContact O-N 3.4Å; R43-V46 PolarHBondContact O-N 3.23Å; R43-E47 WeakPolarHBondContact CD-OE1 3.41Å; R43-E47 HydrophobicContact CG-CG 4.22Å; R43-E47 VanDerWaalsContact CG-OE1 3.3Å; R43-E47 WeakPolarHBondContact CG-OE1 3.34Å; R43-E47 WeakPolarHBondContact O-CB 3.46Å; R43-E47 VanDerWaalsContact O-CG 3.29Å; R43-E47 WeakPolarHBondContact O-CG 3.29Å; R43-E47 PolarHBondContact O-N 2.83Å
44L59.5Low53.8Low75 Ų7565.1 Ų65.139%0.39337%0.37SS..Hα-helixtrans-60.4-36.7179-171.7146.5000112S40 L41 N48S40-L44 PolarHBondContact O-N 3.36Å; L41-L44 PolarHBondContact O-N 2.89Å; L44-N48 WeakPolarHBondContact O-CB 3.44Å; L44-N48 PolarHBondContact O-N 3.29Å; L44-N48 VanDerWaalsContact O-N 3.11Å; L44-N48 PolarHBondContact O-ND2 2.85Å
45I57.4Low53.1Low7 Ų762.6 Ų62.64%0.03637%0.371CS..Hα-helixtrans-65.3-50.5174.2-76.3172.3000111.3I11 V15 L29 F33 L41 G42 R43 E47 N48 L49I11-I45 HydrophobicContact CG2-CD1 3.67Å; I11-I45 HydrophobicContact CG2-CG1 3.35Å; V15-I45 HydrophobicContact CB-CG2 4.09Å; V15-I45 HydrophobicContact CG1-CG2 3.7Å; V15-I45 HydrophobicContact CG2-CB 4.42Å; V15-I45 HydrophobicContact CG2-CD1 4Å; V15-I45 HydrophobicContact CG2-CG1 4.2Å; V15-I45 HydrophobicContact CG2-CG2 3.38Å; L29-I45 HydrophobicContact CD2-CG2 4.07Å; F33-I45 HydrophobicContact CD2-CD1 4.41Å; F33-I45 HydrophobicContact CE1-CD1 3.91Å; F33-I45 HydrophobicContact CE2-CB 4.47Å; F33-I45 HydrophobicContact CE2-CD1 3.62Å; F33-I45 HydrophobicContact CE2-CG2 4.16Å; F33-I45 HydrophobicContact CZ-CD1 3.35Å; L41-I45 HydrophobicContact CD1-CD1 4.29Å; L41-I45 HydrophobicContact CD2-CD1 4.43Å; L41-I45 HydrophobicContact CG-CD1 3.87Å; L41-I45 WeakPolarHBondContact O-CB 3.24Å; L41-I45 VanDerWaalsContact O-CG1 3.26Å; L41-I45 WeakPolarHBondContact O-CG1 3.37Å; L41-I45 PolarHBondContact O-N 2.79Å; G42-I45 PolarHBondContact O-N 2.82Å; R43-I45 PolarHBondContact O-N 3.4Å; I45-E47 VanDerWaalsContact C-N 3.33Å; I45-E47 PolarHBondContact O-N 3.27Å; I45-N48 PolarHBondContact O-N 3.46Å; I45-L49 HydrophobicContact CG2-CD1 4.09Å; I45-L49 WeakPolarHBondContact O-CB 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.34Å; I45-L49 PolarHBondContact O-N 3.17Å
46V61.5Low52.6Low13 Ų1362.6 Ų62.68%0.07937%0.367CS..Hα-helixtrans-66.2-37.5-178.2169.70000111.3S26 E30 G42 R43 L49 N50S26-V46 WeakPolarHBondContact O-CG2 3.42Å; E30-V46 HydrophobicContact CB-CG2 3.99Å; E30-V46 HydrophobicContact CG-CG2 4.37Å; G42-V46 WeakPolarHBondContact O-CB 3.47Å; G42-V46 WeakPolarHBondContact O-CG2 3.19Å; G42-V46 PolarHBondContact O-N 3.06Å; R43-V46 PolarHBondContact O-N 3.23Å; V46-L49 PolarHBondContact O-N 3.46Å; V46-N50 PolarHBondContact O-N 3.49Å
47E65Low51.7Low107 Ų10766.8 Ų66.850%0.540%0.396SS..Hα-helixtrans-63.5-43.3174.3-75.8174.2-179.600111.6R43 I45 Q51R43-E47 WeakPolarHBondContact CD-OE1 3.41Å; R43-E47 HydrophobicContact CG-CG 4.22Å; R43-E47 VanDerWaalsContact CG-OE1 3.3Å; R43-E47 WeakPolarHBondContact CG-OE1 3.34Å; R43-E47 WeakPolarHBondContact O-CB 3.46Å; R43-E47 VanDerWaalsContact O-CG 3.29Å; R43-E47 WeakPolarHBondContact O-CG 3.29Å; R43-E47 PolarHBondContact O-N 2.83Å; I45-E47 VanDerWaalsContact C-N 3.33Å; I45-E47 PolarHBondContact O-N 3.27Å; E47-Q51 WeakPolarHBondContact O-CG 3.28Å; E47-Q51 PolarHBondContact O-N 3.22Å
48N56.2Low50.9Low66 Ų6669.3 Ų69.335%0.35340%0.403SS..Hα-helixtrans-69.9-38175.6-83.2-63000112.7L44 I45 N50 Q51 T52L44-N48 WeakPolarHBondContact O-CB 3.44Å; L44-N48 PolarHBondContact O-N 3.29Å; L44-N48 VanDerWaalsContact O-N 3.11Å; L44-N48 PolarHBondContact O-ND2 2.85Å; I45-N48 PolarHBondContact O-N 3.46Å; N48-N50 VanDerWaalsContact C-N 3.33Å; N48-N50 PolarHBondContact O-N 3.37Å; N48-Q51 WeakPolarHBondContact O-CB 3.42Å; N48-Q51 PolarHBondContact O-N 2.98Å; N48-Q51 VanDerWaalsContact O-N 3.12Å; N48-T52 PolarHBondContact O-N 3.17Å; N48-T52 VanDerWaalsContact O-N 3.15Å; N48-T52 PolarHBondContact O-OG1 3.4Å
49L57.4Low50Low11 Ų1174 Ų746%0.05844%0.437CS..Hα-helixtrans-59.4-43.7174.8-84.1171.6000112.2V15 L29 I45 V46 Q51 T52 L53V15-L49 HydrophobicContact CG1-CD1 3.34Å; V15-L49 HydrophobicContact CG1-CD2 3.83Å; V15-L49 HydrophobicContact CG1-CG 3.8Å; L29-L49 HydrophobicContact CD2-CD1 4.25Å; I45-L49 HydrophobicContact CG2-CD1 4.09Å; I45-L49 WeakPolarHBondContact O-CB 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.34Å; I45-L49 PolarHBondContact O-N 3.17Å; V46-L49 PolarHBondContact O-N 3.46Å; L49-Q51 PolarHBondContact O-N 3.35Å; L49-T52 PolarHBondContact O-N 3.02Å; L49-T52 VanDerWaalsContact O-N 3.09Å; L49-L53 WeakPolarHBondContact O-CD1 3.39Å; L49-L53 PolarHBondContact O-N 3Å
50N52.9Low49Very low83 Ų8377.2 Ų77.244%0.44446%0.455SS..Hα-helixtrans-64.5-25.6178-79.9-19000112.4V46 N48 T54V46-N50 PolarHBondContact O-N 3.49Å; N48-N50 VanDerWaalsContact C-N 3.33Å; N48-N50 PolarHBondContact O-N 3.37Å; N50-T54 PolarHBondContact O-N 3Å
51Q52.7Low47.7Very low131 Ų13180.5 Ų80.561%0.61246%0.463SS*.Hα-helixtrans-76.4-31172.5-65.9179.519.700112.8E47 N48 L49 T54E47-Q51 WeakPolarHBondContact O-CG 3.28Å; E47-Q51 PolarHBondContact O-N 3.22Å; N48-Q51 WeakPolarHBondContact O-CB 3.42Å; N48-Q51 PolarHBondContact O-N 2.98Å; N48-Q51 VanDerWaalsContact O-N 3.12Å; L49-Q51 PolarHBondContact O-N 3.35Å; Q51-T54 PolarHBondContact O-OG1 3.29Å
52T45.9Very low46.6Very low66 Ų6689.3 Ų89.341%0.40549%0.494SS..Hα-helixtrans-73.8-30.7173-44.30000111.9N48 L49 S55 S56N48-T52 PolarHBondContact O-N 3.17Å; N48-T52 VanDerWaalsContact O-N 3.15Å; N48-T52 PolarHBondContact O-OG1 3.4Å; L49-T52 PolarHBondContact O-N 3.02Å; L49-T52 VanDerWaalsContact O-N 3.09Å; T52-S55 PolarHBondContact O-OG 3.4Å; T52-S55 VanDerWaalsContact O-OG 3.06Å; T52-S56 PolarHBondContact O-OG 3.46Å
53L41.3Very low45.3Very low77 Ų7798.5 Ų98.540%0.40354%0.537SS..Hα-helixtrans-73.1-25.6177-88.3141.8000113.9L49 S55 S56L49-L53 WeakPolarHBondContact O-CD1 3.39Å; L49-L53 PolarHBondContact O-N 3Å; L53-S55 VanDerWaalsContact C-N 3.3Å; L53-S55 PolarHBondContact O-N 3.12Å; L53-S56 PolarHBondContact O-N 3.05Å
54T42.1Very low43.9Very low108 Ų10895.9 Ų95.966%0.66354%0.541SS*.Hα-helixtrans-75.3-17.6176.648.90000113.5N50 Q51 S57N50-T54 PolarHBondContact O-N 3Å; Q51-T54 PolarHBondContact O-OG1 3.29Å; T54-S57 PolarHBondContact O-OG 3.43Å
55S42.5Very low42.4Very low100 Ų100101.9 Ų101.970%0.69956%0.564SS**THydrogen-bonded Turntrans-95.1-4.617353.70000114.4T52 L53T52-S55 PolarHBondContact O-OG 3.4Å; T52-S55 VanDerWaalsContact O-OG 3.06Å; L53-S55 VanDerWaalsContact C-N 3.3Å; L53-S55 PolarHBondContact O-N 3.12Å
56S39.1Very low41.3Very low74 Ų74111.1 Ų111.152%0.51760%0.6SS.*  trans-123.741.6177.943.70000112.1T52 L53 S58T52-S56 PolarHBondContact O-OG 3.46Å; L53-S56 PolarHBondContact O-N 3.05Å; S56-S58 VanDerWaalsContact C-N 3.33Å; S56-S58 PolarHBondContact O-N 3.43Å
57S31.6Very low39.9Very low96 Ų96115.7 Ų115.767%0.67163%0.63SS**  trans-7581.616831.90000110.5T54T54-S57 PolarHBondContact O-OG 3.43Å
58S30.3Very low38.3Very low117 Ų117116.1 Ų116.182%0.81864%0.644SS**  trans177.571.3154.233.40000113.8S56S56-S58 VanDerWaalsContact C-N 3.33Å; S56-S58 PolarHBondContact O-N 3.43Å
59S34.3Very low37Very low112 Ų112122.8 Ų122.878%0.78367%0.671SS**SBendtrans-157.1107.6149.359.10000112.5
60S31.4Very low35.9Very low94 Ų94127 Ų12766%0.65770%0.699SS**  trans1.5120.317070.20000119.6R62S60-R62 PolarHBondContact O-N 2.86Å; S60-R62 VanDerWaalsContact O-N 3.13Å
61L28.7Very low35.2Very low172 Ų172127.3 Ų127.390%0.90170%0.704SS**  trans-50112.4141-89.979.9000108.9
62R31.5Very low34.5Very low220 Ų220125.1 Ų125.183%0.8370%0.7SS**  trans-110.2112.4151-74.9-167.3-168.8-160.23.8108S60 S64S60-R62 PolarHBondContact O-N 2.86Å; S60-R62 VanDerWaalsContact O-N 3.13Å; R62-S64 PolarHBondContact O-N 3.49Å; R62-S64 VanDerWaalsContact O-N 3.13Å
63Q28.7Very low34.2Very low194 Ų194126.4 Ų126.491%0.90771%0.709SS**  trans-51.3113.6164.5-74.2169.9-18.500109K65Q63-K65 PolarHBondContact O-N 2.82Å
64S30.9Very low34.6Very low91 Ų91125.2 Ų125.264%0.63670%0.702SS**  trans-94.193.1169.9150.10000108.2R62 Y66R62-S64 PolarHBondContact O-N 3.49Å; R62-S64 VanDerWaalsContact O-N 3.13Å; S64-Y66 PolarHBondContact O-N 3.19Å; S64-Y66 WeakPolarHBondContact OG-CD2 3.19Å
65K28.9Very low34.9Very low201 Ų201122.9 Ų122.987%0.87469%0.69SS**  trans-76.589.1163.2-176.4178.7-176.2177.80107.5Q63Q63-K65 PolarHBondContact O-N 2.82Å
66Y34.6Very low34.9Very low200 Ų200123.5 Ų123.578%0.78469%0.689SS**  trans-128.9138.8170.1-70.1-62.9000112.5S64S64-Y66 PolarHBondContact O-N 3.19Å; S64-Y66 WeakPolarHBondContact OG-CD2 3.19Å
67P31.5Very low35.5Very low110 Ų110125.7 Ų125.771%0.71469%0.691SS**  trans-80.1158.1179.435.5-33.6000111.3
68S31.4Very low36.4Very low115 Ų115121.5 Ų121.580%0.80466%0.662SS**SBendtrans52.7100.4166.6-59.90000116.7P70S68-P70 WeakPolarHBondContact O-CD 3.4Å
69F28.4Very low37.4Very low207 Ų207117.7 Ų117.791%0.90863%0.631SS**PPolyproline II helixtrans-49.7117.9178.6-75.9-90.7000113.7
70P35.7Very low38.2Very low100 Ų100115.2 Ų115.265%0.64961%0.614SS**PPolyproline II helixtrans-72.5123.8157.228.7-27.8000108.2S68S68-P70 WeakPolarHBondContact O-CD 3.4Å
71V37.6Very low39.4Very low89 Ų89113 Ų11354%0.53960%0.595SS.*PPolyproline II helixtrans-59.3126.9172.8-1620000107.5T73V71-T73 PolarHBondContact O-N 3.21Å
72P37.3Very low40.8Very low84 Ų84105.5 Ų105.555%0.54556%0.555SS.*  trans-66.2102.9175.925.2-30.1000108.6I74P72-I74 PolarHBondContact O-N 3.32Å
73T40.4Very low42Very low94 Ų9498.6 Ų98.658%0.57753%0.534SS*.  trans-71.6109.1165.347.80000107.4V71 S75 M133V71-T73 PolarHBondContact O-N 3.21Å; T73-S75 PolarHBondContact O-N 2.89Å; T73-M133 HydrophobicContact CG2-CE 4.32Å; T73-M133 HydrophobicContact CG2-SD 4.37Å
74I50.6Low43.5Very low52 Ų5297.1 Ų97.127%0.26752%0.522SS..  trans-65.4129.5171.6-162.9170.3000108.4P72 C78 F79 L82 M133P72-I74 PolarHBondContact O-N 3.32Å; I74-C78 HydrophobicContact CD1-CB 4.21Å; I74-C78 WeakPolarHBondContact CD1-SG 3.33Å; I74-C78 HydrophobicContact CG1-CB 3.51Å; I74-C78 WeakPolarHBondContact CG1-SG 3.4Å; I74-F79 HydrophobicContact CD1-CB 4.38Å; I74-F79 HydrophobicContact CG2-CB 4.32Å; I74-L82 HydrophobicContact CD1-CB 4.49Å; I74-L82 HydrophobicContact CD1-CD2 3.97Å; I74-M133 HydrophobicContact CG2-SD 4.43Å
75S47.5Very low45Very low59 Ų5993.5 Ų93.541%0.41350%0.495SS..  trans-66.1155.2174.766.10000109.9T73 Q77 C78 F79T73-S75 PolarHBondContact O-N 2.89Å; S75-Q77 PolarHBondContact O-N 3.33Å; S75-C78 CarbonylContact O-C 3.58Å; S75-C78 PolarHBondContact O-N 3.19Å; S75-C78 VanDerWaalsContact OG-CB 3.22Å; S75-C78 WeakPolarHBondContact OG-CB 3.26Å; S75-C78 PolarHBondContact OG-N 3.02Å; S75-F79 PolarHBondContact O-N 3.22Å
76V43.2Very low46.5Very low112 Ų11284.3 Ų84.368%0.67946%0.456SS*.Hα-helixtrans-54.2-39.2174174.90000110.8F79 S80V76-F79 PolarHBondContact O-N 3.44Å; V76-S80 WeakPolarHBondContact O-CB 3.11Å; V76-S80 PolarHBondContact O-N 2.83Å
77Q49.9Very low47.6Very low120 Ų12077 Ų7756%0.56144%0.437SS*.Hα-helixtrans-60.8-51.4174.7-172.655.949.200110.8S75 F79 S80 D81S75-Q77 PolarHBondContact O-N 3.33Å; Q77-F79 VanDerWaalsContact C-N 3.28Å; Q77-F79 PolarHBondContact O-N 2.94Å; Q77-S80 CarbonylContact O-C 3.57Å; Q77-S80 WeakPolarHBondContact O-CA 3.29Å; Q77-S80 WeakPolarHBondContact O-CB 3.22Å; Q77-S80 PolarHBondContact O-N 2.81Å; Q77-D81 WeakPolarHBondContact CG-OD2 3.2Å; Q77-D81 VanDerWaalsContact NE2-CG 3.35Å; Q77-D81 PolarHBondContact NE2-OD1 3.42Å; Q77-D81 PolarHBondContact NE2-OD2 2.88Å; Q77-D81 VanDerWaalsContact NE2-OD2 3.14Å; Q77-D81 WeakPolarHBondContact O-CB 3.41Å; Q77-D81 PolarHBondContact O-N 3.37Å
78C51.5Low49Very low8 Ų873.7 Ų73.75%0.05442%0.416CS..Hα-helixtrans-63.1-33.9178.61780000112.9L21 I74 S75 D81 L82L21-C78 HydrophobicContact CD1-CB 3.85Å; L21-C78 WeakPolarHBondContact CD1-SG 3.36Å; L21-C78 HydrophobicContact CD2-CB 3.76Å; L21-C78 HydrophobicContact CG-CB 4.3Å; I74-C78 HydrophobicContact CD1-CB 4.21Å; I74-C78 WeakPolarHBondContact CD1-SG 3.33Å; I74-C78 HydrophobicContact CG1-CB 3.51Å; I74-C78 WeakPolarHBondContact CG1-SG 3.4Å; S75-C78 CarbonylContact O-C 3.58Å; S75-C78 PolarHBondContact O-N 3.19Å; S75-C78 VanDerWaalsContact OG-CB 3.22Å; S75-C78 WeakPolarHBondContact OG-CB 3.26Å; S75-C78 PolarHBondContact OG-N 3.02Å; C78-D81 PolarHBondContact O-N 3.39Å; C78-L82 WeakPolarHBondContact O-CB 3.36Å; C78-L82 PolarHBondContact O-N 3.45Å
79F52.2Low50.4Low37 Ų3769 Ų6916%0.16238%0.382CS..Hα-helixtrans-68.1-40.7173.3-176.5-105.2000111.7I74 S75 V76 Q77 L82 L83 L126I74-F79 HydrophobicContact CD1-CB 4.38Å; I74-F79 HydrophobicContact CG2-CB 4.32Å; S75-F79 PolarHBondContact O-N 3.22Å; V76-F79 PolarHBondContact O-N 3.44Å; Q77-F79 VanDerWaalsContact C-N 3.28Å; Q77-F79 PolarHBondContact O-N 2.94Å; F79-L82 PolarHBondContact O-N 2.65Å; F79-L83 HydrophobicContact CD1-CD1 3.9Å; F79-L83 HydrophobicContact CD1-CG 4.35Å; F79-L83 HydrophobicContact CE1-CD1 3.45Å; F79-L83 VanDerWaalsContact CE1-CD1 3.45Å; F79-L83 HydrophobicContact CE1-CG 4.01Å; F79-L83 HydrophobicContact CZ-CD1 3.97Å; F79-L83 HydrophobicContact CZ-CD2 4.28Å; F79-L83 HydrophobicContact CZ-CG 4.13Å; F79-L83 WeakPolarHBondContact O-CB 3.09Å; F79-L83 WeakPolarHBondContact O-CG 3.37Å; F79-L83 PolarHBondContact O-N 3.02Å; F79-L126 HydrophobicContact CZ-CD1 4.31Å
80S50.4Low52Low61 Ų6163.2 Ų63.243%0.42735%0.354SS..Hα-helixtrans-62.2-45.2172.9-177.60000111.4V76 Q77 L82 L83 Y84V76-S80 WeakPolarHBondContact O-CB 3.11Å; V76-S80 PolarHBondContact O-N 2.83Å; Q77-S80 CarbonylContact O-C 3.57Å; Q77-S80 WeakPolarHBondContact O-CA 3.29Å; Q77-S80 WeakPolarHBondContact O-CB 3.22Å; Q77-S80 PolarHBondContact O-N 2.81Å; S80-L82 VanDerWaalsContact C-N 3.29Å; S80-L82 PolarHBondContact O-N 3.02Å; S80-L83 PolarHBondContact O-N 3.27Å; S80-Y84 WeakPolarHBondContact O-CB 3.22Å; S80-Y84 PolarHBondContact O-N 2.93Å
81D55.8Low53.2Low48 Ų4863.7 Ų63.726%0.25735%0.348SS..Hα-helixtrans-66.3-35.5178-60.8-29.1000110.8Q77 C78 Y84 L85Q77-D81 WeakPolarHBondContact CG-OD2 3.2Å; Q77-D81 VanDerWaalsContact NE2-CG 3.35Å; Q77-D81 PolarHBondContact NE2-OD1 3.42Å; Q77-D81 PolarHBondContact NE2-OD2 2.88Å; Q77-D81 VanDerWaalsContact NE2-OD2 3.14Å; Q77-D81 WeakPolarHBondContact O-CB 3.41Å; Q77-D81 PolarHBondContact O-N 3.37Å; C78-D81 PolarHBondContact O-N 3.39Å; D81-Y84 PolarHBondContact O-N 2.79Å; D81-L85 VanDerWaalsContact O-CB 3.26Å; D81-L85 WeakPolarHBondContact O-CB 3.27Å; D81-L85 PolarHBondContact O-N 3.46Å
82L59.1Low54.1Low13 Ų1360.6 Ų60.67%0.06833%0.328CS..Hα-helixtrans-67.9-43.8173.6-175.471.8000111.5I74 C78 F79 S80 Y84 L85 V86 F119I74-L82 HydrophobicContact CD1-CB 4.49Å; I74-L82 HydrophobicContact CD1-CD2 3.97Å; C78-L82 WeakPolarHBondContact O-CB 3.36Å; C78-L82 PolarHBondContact O-N 3.45Å; F79-L82 PolarHBondContact O-N 2.65Å; S80-L82 VanDerWaalsContact C-N 3.29Å; S80-L82 PolarHBondContact O-N 3.02Å; L82-Y84 VanDerWaalsContact C-N 3.29Å; L82-Y84 PolarHBondContact O-N 3.48Å; L82-L85 HydrophobicContact CD1-CD2 4.28Å; L82-L85 WeakPolarHBondContact O-CB 3.36Å; L82-L85 PolarHBondContact O-N 2.83Å; L82-V86 WeakPolarHBondContact O-CB 3.19Å; L82-V86 WeakPolarHBondContact O-CG2 3.2Å; L82-V86 PolarHBondContact O-N 3.37Å; L82-F119 HydrophobicContact CD1-CD2 4.46Å; L82-F119 HydrophobicContact CD1-CE1 3.74Å; L82-F119 HydrophobicContact CD1-CE2 3.67Å; L82-F119 HydrophobicContact CD1-CZ 3.27Å; L82-F119 HydrophobicContact CD2-CD1 4.16Å; L82-F119 HydrophobicContact CD2-CD2 3.63Å; L82-F119 HydrophobicContact CD2-CE1 4.17Å; L82-F119 HydrophobicContact CD2-CE2 3.65Å; L82-F119 HydrophobicContact CD2-CG 3.92Å; L82-F119 HydrophobicContact CD2-CZ 3.95Å; L82-F119 HydrophobicContact CG-CE2 4.08Å; L82-F119 HydrophobicContact CG-CZ 4.15Å
83L57.2Low55.2Low76 Ų7659.8 Ų59.840%0.39832%0.316SS..Hα-helixtrans-61.4-40.8173-75.7177.5000111.1F79 S80 V86 A87 I116F79-L83 HydrophobicContact CD1-CD1 3.9Å; F79-L83 HydrophobicContact CD1-CG 4.35Å; F79-L83 HydrophobicContact CE1-CD1 3.45Å; F79-L83 VanDerWaalsContact CE1-CD1 3.45Å; F79-L83 HydrophobicContact CE1-CG 4.01Å; F79-L83 HydrophobicContact CZ-CD1 3.97Å; F79-L83 HydrophobicContact CZ-CD2 4.28Å; F79-L83 HydrophobicContact CZ-CG 4.13Å; F79-L83 WeakPolarHBondContact O-CB 3.09Å; F79-L83 WeakPolarHBondContact O-CG 3.37Å; F79-L83 PolarHBondContact O-N 3.02Å; S80-L83 PolarHBondContact O-N 3.27Å; L83-V86 PolarHBondContact O-N 3.41Å; L83-A87 VanDerWaalsContact O-CB 3.27Å; L83-A87 WeakPolarHBondContact O-CB 3.26Å; L83-A87 PolarHBondContact O-N 3.13Å; L83-I116 HydrophobicContact CD2-CD1 4.02Å
84Y59.3Low56.1Low162 Ų16257.4 Ų57.464%0.63530%0.302SS*.Hα-helixtrans-66-39.9176.5-171-92000111.8S80 D81 L82 A87 S88S80-Y84 WeakPolarHBondContact O-CB 3.22Å; S80-Y84 PolarHBondContact O-N 2.93Å; D81-Y84 PolarHBondContact O-N 2.79Å; L82-Y84 VanDerWaalsContact C-N 3.29Å; L82-Y84 PolarHBondContact O-N 3.48Å; Y84-A87 PolarHBondContact O-N 3.24Å; Y84-S88 WeakPolarHBondContact CE1-OG 3.41Å; Y84-S88 VanDerWaalsContact O-CB 3.31Å; Y84-S88 WeakPolarHBondContact O-CB 3.23Å; Y84-S88 PolarHBondContact O-N 3.02Å; Y84-S88 PolarHBondContact O-OG 3.39Å
85L61.9Low56.4Low15 Ų1558 Ų588%0.07931%0.314CS..Hα-helixtrans-62-49.717317267.4000110.6L14 I18 D81 L82 A87 S88 L89L14-L85 HydrophobicContact CB-CD1 4.02Å; L14-L85 HydrophobicContact CD1-CD1 3.59Å; L14-L85 HydrophobicContact CD2-CD1 4.08Å; L14-L85 HydrophobicContact CG-CD1 4.09Å; I18-L85 HydrophobicContact CD1-CD2 3.23Å; I18-L85 HydrophobicContact CG1-CD2 3.97Å; D81-L85 VanDerWaalsContact O-CB 3.26Å; D81-L85 WeakPolarHBondContact O-CB 3.27Å; D81-L85 PolarHBondContact O-N 3.46Å; L82-L85 HydrophobicContact CD1-CD2 4.28Å; L82-L85 WeakPolarHBondContact O-CB 3.36Å; L82-L85 PolarHBondContact O-N 2.83Å; L85-A87 VanDerWaalsContact C-N 3.28Å; L85-A87 PolarHBondContact O-N 2.86Å; L85-S88 CarbonylContact O-C 3.6Å; L85-S88 PolarHBondContact O-N 3.16Å; L85-S88 VanDerWaalsContact O-N 3.1Å; L85-L89 HydrophobicContact CD1-CD1 4.11Å; L85-L89 HydrophobicContact CD1-CG 4.04Å; L85-L89 HydrophobicContact CG-CD1 4.02Å; L85-L89 HydrophobicContact CG-CG 4.32Å; L85-L89 WeakPolarHBondContact O-CB 3.2Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.13Å; L85-L89 PolarHBondContact O-N 3.4Å
86V60.2Low56.7Low8 Ų861 Ų615%0.04832%0.322CS..Hα-helixtrans-60.9-40.3178.5171.60000110.5L82 L83 R90 W111 V115L82-V86 WeakPolarHBondContact O-CB 3.19Å; L82-V86 WeakPolarHBondContact O-CG2 3.2Å; L82-V86 PolarHBondContact O-N 3.37Å; L83-V86 PolarHBondContact O-N 3.41Å; V86-R90 WeakPolarHBondContact O-CB 3.43Å; V86-R90 PolarHBondContact O-N 3.4Å; V86-W111 HydrophobicContact CG1-CE3 4.31Å; V86-W111 HydrophobicContact CG1-CH2 4.09Å; V86-W111 HydrophobicContact CG1-CZ3 3.48Å; V86-W111 VanDerWaalsContact CG1-CZ3 3.48Å; V86-V115 HydrophobicContact CG2-CG1 3.6Å
87A59Low57.3Low48 Ų4858 Ų5840%0.39730%0.301SS..Hα-helixtrans-66.8-37.1173.400000112.7L83 Y84 L85 R90 E91L83-A87 VanDerWaalsContact O-CB 3.27Å; L83-A87 WeakPolarHBondContact O-CB 3.26Å; L83-A87 PolarHBondContact O-N 3.13Å; Y84-A87 PolarHBondContact O-N 3.24Å; L85-A87 VanDerWaalsContact C-N 3.28Å; L85-A87 PolarHBondContact O-N 2.86Å; A87-R90 VanDerWaalsContact O-CB 3.3Å; A87-R90 WeakPolarHBondContact O-CB 3.38Å; A87-R90 PolarHBondContact O-N 2.83Å; A87-E91 PolarHBondContact O-N 3.46Å
88S61.1Low57.6Low40 Ų4055.9 Ų55.928%0.2830%0.298SS..Hα-helixtrans-71.4-39.9176.8-60.60000111.8Y84 L85 R90 E91 L92Y84-S88 WeakPolarHBondContact CE1-OG 3.41Å; Y84-S88 VanDerWaalsContact O-CB 3.31Å; Y84-S88 WeakPolarHBondContact O-CB 3.23Å; Y84-S88 PolarHBondContact O-N 3.02Å; Y84-S88 PolarHBondContact O-OG 3.39Å; L85-S88 CarbonylContact O-C 3.6Å; L85-S88 PolarHBondContact O-N 3.16Å; L85-S88 VanDerWaalsContact O-N 3.1Å; S88-R90 VanDerWaalsContact C-N 3.26Å; S88-R90 PolarHBondContact O-N 3.09Å; S88-E91 PolarHBondContact O-N 2.89Å; S88-L92 PolarHBondContact O-N 2.89Å; S88-L92 VanDerWaalsContact O-N 3.08Å
89L60.5Low57.6Low17 Ų1761.5 Ų61.59%0.08932%0.323CS..Hα-helixtrans-64-32.8172.6-73178.6000111.4L41 L85 L92 F93 W111L41-L89 HydrophobicContact CD2-CD2 3.71Å; L85-L89 HydrophobicContact CD1-CD1 4.11Å; L85-L89 HydrophobicContact CD1-CG 4.04Å; L85-L89 HydrophobicContact CG-CD1 4.02Å; L85-L89 HydrophobicContact CG-CG 4.32Å; L85-L89 WeakPolarHBondContact O-CB 3.2Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.13Å; L85-L89 PolarHBondContact O-N 3.4Å; L89-L92 HydrophobicContact CD2-CD1 4.19Å; L89-L92 WeakPolarHBondContact O-CB 3.33Å; L89-L92 PolarHBondContact O-N 3.41Å; L89-F93 WeakPolarHBondContact O-CB 3.4Å; L89-F93 PolarHBondContact O-N 2.87Å; L89-W111 HydrophobicContact CB-CH2 4.11Å
90R61.5Low57.5Low84 Ų8466.6 Ų66.632%0.31734%0.343SS..Hα-helixtrans-60.4-49.8169.9171.5-159.9-175-85.2-4.9111V86 A87 S88 L92 F93 V94 M108V86-R90 WeakPolarHBondContact O-CB 3.43Å; V86-R90 PolarHBondContact O-N 3.4Å; A87-R90 VanDerWaalsContact O-CB 3.3Å; A87-R90 WeakPolarHBondContact O-CB 3.38Å; A87-R90 PolarHBondContact O-N 2.83Å; S88-R90 VanDerWaalsContact C-N 3.26Å; S88-R90 PolarHBondContact O-N 3.09Å; R90-L92 VanDerWaalsContact C-N 3.26Å; R90-L92 PolarHBondContact O-N 3.13Å; R90-F93 PolarHBondContact O-N 3.23Å; R90-F93 VanDerWaalsContact O-N 3.12Å; R90-V94 HydrophobicContact CG-CG2 4.12Å; R90-V94 WeakPolarHBondContact O-CB 3.48Å; R90-V94 WeakPolarHBondContact O-CG2 3.45Å; R90-V94 PolarHBondContact O-N 2.9Å; R90-M108 PolarHBondContact NE-SD 2.86Å
91E60.8Low57.6Low111 Ų11166.5 Ų66.552%0.51934%0.339SS..Hα-helixtrans-60-39.7179.2-64.4-52.113100111.7A87 S88 A95A87-E91 PolarHBondContact O-N 3.46Å; S88-E91 PolarHBondContact O-N 2.89Å; E91-A95 WeakPolarHBondContact O-CB 3.36Å; E91-A95 PolarHBondContact O-N 3.3Å
92L57.5Low57.4Low23 Ų2370.6 Ų70.612%0.1236%0.361CS..Hα-helixtrans-61.4-46172.1-84.8175.5000112.7V4 A7 I11 S88 L89 R90 A95 E96V4-L92 HydrophobicContact CB-CD2 4.41Å; V4-L92 HydrophobicContact CG1-CD2 4.22Å; V4-L92 HydrophobicContact CG2-CD2 4.43Å; A7-L92 HydrophobicContact CB-CD1 3.71Å; A7-L92 HydrophobicContact CB-CD2 3.46Å; A7-L92 VanDerWaalsContact CB-CD2 3.46Å; A7-L92 HydrophobicContact CB-CG 3.63Å; I11-L92 HydrophobicContact CD1-CD1 4.3Å; S88-L92 PolarHBondContact O-N 2.89Å; S88-L92 VanDerWaalsContact O-N 3.08Å; L89-L92 HydrophobicContact CD2-CD1 4.19Å; L89-L92 WeakPolarHBondContact O-CB 3.33Å; L89-L92 PolarHBondContact O-N 3.41Å; R90-L92 VanDerWaalsContact C-N 3.26Å; R90-L92 PolarHBondContact O-N 3.13Å; L92-A95 PolarHBondContact O-N 3.23Å; L92-E96 PolarHBondContact O-N 3.34Å
93F59.1Low57.1Low68 Ų6876.5 Ų76.530%0.29839%0.393SS..Hα-helixtrans-67.9-40.1-178.5-169-91.1000112.3L38 L89 R90 A95 E96 I97 Y100L38-F93 HydrophobicContact CD2-CD2 4.48Å; L89-F93 WeakPolarHBondContact O-CB 3.4Å; L89-F93 PolarHBondContact O-N 2.87Å; R90-F93 PolarHBondContact O-N 3.23Å; R90-F93 VanDerWaalsContact O-N 3.12Å; F93-A95 VanDerWaalsContact C-N 3.28Å; F93-A95 PolarHBondContact O-N 3.28Å; F93-E96 PolarHBondContact O-N 2.86Å; F93-I97 HydrophobicContact CD2-CD1 4.4Å; F93-I97 HydrophobicContact CE1-CB 4.44Å; F93-I97 HydrophobicContact CE2-CD1 3.76Å; F93-I97 HydrophobicContact CZ-CD1 3.84Å; F93-I97 PolarHBondContact O-N 3.42Å; F93-Y100 HydrophobicContact CE1-CD1 4.45Å; F93-Y100 HydrophobicContact CE1-CG 4.25Å
94V59.7Low56.7Low44 Ų4476.5 Ų76.527%0.26739%0.393SS..Hα-helixtrans-62.3-37.8174.2170.20000110.7R90 V101R90-V94 HydrophobicContact CG-CG2 4.12Å; R90-V94 WeakPolarHBondContact O-CB 3.48Å; R90-V94 WeakPolarHBondContact O-CG2 3.45Å; R90-V94 PolarHBondContact O-N 2.9Å; V94-V101 HydrophobicContact CB-CG2 4.19Å; V94-V101 HydrophobicContact CG1-CG2 4.02Å; V94-V101 HydrophobicContact CG2-CG2 3.71Å
95A57.7Low56.3Low64 Ų6473.4 Ų73.453%0.52939%0.393SS..Hα-helixtrans-71.3-37.7177.500000113.4V4 E91 L92 F93V4-A95 HydrophobicContact CG2-CB 4.3Å; E91-A95 WeakPolarHBondContact O-CB 3.36Å; E91-A95 PolarHBondContact O-N 3.3Å; L92-A95 PolarHBondContact O-N 3.23Å; F93-A95 VanDerWaalsContact C-N 3.28Å; F93-A95 PolarHBondContact O-N 3.28Å
96E52.5Low55.4Low122 Ų12278.5 Ų78.557%0.5742%0.419SS*.Hα-helixtrans-81.3-31.6-179.6-75.3-67.4152.400113.3V4 L92 F93V4-E96 WeakPolarHBondContact CG1-OE1 3.35Å; L92-E96 PolarHBondContact O-N 3.34Å; F93-E96 PolarHBondContact O-N 2.86Å
97I57Low55.1Low50 Ų5081.7 Ų81.726%0.25644%0.436SS..  trans-135.867-171.8-45.4-175.7000110.7F93 Q99 Y100F93-I97 HydrophobicContact CD2-CD1 4.4Å; F93-I97 HydrophobicContact CE1-CB 4.44Å; F93-I97 HydrophobicContact CE2-CD1 3.76Å; F93-I97 HydrophobicContact CZ-CD1 3.84Å; F93-I97 PolarHBondContact O-N 3.42Å; I97-Q99 VanDerWaalsContact CG2-CD 3.45Å; I97-Q99 HydrophobicContact CG2-CG 3.89Å; I97-Q99 PolarHBondContact O-N 3.46Å; I97-Y100 HydrophobicContact CG2-CD2 3.73Å; I97-Y100 HydrophobicContact CG2-CG 4.3Å; I97-Y100 PolarHBondContact O-N 3.13Å; I97-Y100 VanDerWaalsContact O-N 3.1Å
98P55.5Low54.6Low75 Ų7583.3 Ų83.349%0.48744%0.437SS..G310 helixtrans-58.3-26.6-177.220.6-31.4000113.3Y100 V101P98-Y100 PolarHBondContact O-N 2.89Å; P98-V101 PolarHBondContact O-N 3.29Å
99Q52.6Low54.1Low126 Ų12686 Ų8659%0.58945%0.447SS*.G310 helixtrans-66.8-12.9178.864.8-87.52400115I97I97-Q99 VanDerWaalsContact CG2-CD 3.45Å; I97-Q99 HydrophobicContact CG2-CG 3.89Å; I97-Q99 PolarHBondContact O-N 3.46Å
100Y49.2Very low53.7Low144 Ų14487 Ų8757%0.56546%0.455SS*.G310 helixtrans-90.3-17.4-179.5-111.8-97.8000114.2F93 I97 P98F93-Y100 HydrophobicContact CE1-CD1 4.45Å; F93-Y100 HydrophobicContact CE1-CG 4.25Å; I97-Y100 HydrophobicContact CG2-CD2 3.73Å; I97-Y100 HydrophobicContact CG2-CG 4.3Å; I97-Y100 PolarHBondContact O-N 3.13Å; I97-Y100 VanDerWaalsContact O-N 3.1Å; P98-Y100 PolarHBondContact O-N 2.89Å
101V52.3Low53.5Low58 Ų5885.2 Ų85.235%0.35245%0.448SS..THydrogen-bonded Turntrans-82.4-33.8-174.6-176.50000112.1V94 P98 N103V94-V101 HydrophobicContact CB-CG2 4.19Å; V94-V101 HydrophobicContact CG1-CG2 4.02Å; V94-V101 HydrophobicContact CG2-CG2 3.71Å; P98-V101 PolarHBondContact O-N 3.29Å; V101-N103 PolarHBondContact O-N 2.95Å
102N52.2Low53.1Low134 Ų13481.5 Ų81.572%0.71743%0.434SS*.THydrogen-bonded Turntrans-79.9-15.5-168-65.8-19.3000114.2
103N51.6Low52.8Low138 Ų13884.3 Ų84.374%0.73845%0.449SS*.THydrogen-bonded Turntrans-106.3-10.9-169.8-66.7-13.1000114.5V101V101-N103 PolarHBondContact O-N 2.95Å
104N50.5Low52.6Low76 Ų7687 Ų8741%0.40646%0.461SS..  trans-16797.8173.3-131.8-20000113.3L106 N107N104-L106 PolarHBondContact O-N 3.28Å; N104-N107 HydrophobicContact CB-CB 4.12Å; N104-N107 WeakPolarHBondContact O-CB 3.35Å; N104-N107 PolarHBondContact O-N 2.93Å
105P49.5Very low52.4Low96 Ų9685.4 Ų85.462%0.62345%0.451SS*.Hα-helixtrans-61.3-24.1172.624.4-32.6000112.3N107 M108P105-N107 VanDerWaalsContact C-N 3.28Å; P105-N107 PolarHBondContact O-N 3.38Å; P105-M108 VanDerWaalsContact O-CB 3.24Å; P105-M108 WeakPolarHBondContact O-CB 3.37Å; P105-M108 PolarHBondContact O-N 2.9Å
106L43.9Very low52.2Low122 Ų12283.5 Ų83.564%0.63943%0.432SS*.Hα-helixtrans-66.1-25.7173-74.9157.9000113.2N104 M108 I109 S110N104-L106 PolarHBondContact O-N 3.28Å; L106-M108 PolarHBondContact O-N 3.27Å; L106-I109 PolarHBondContact O-N 3.5Å; L106-S110 PolarHBondContact O-N 2.96Å; L106-S110 VanDerWaalsContact O-N 3.09Å
107N53.6Low52.3Low75 Ų7583.2 Ų83.240%0.40143%0.434SS..Hα-helixtrans-65.1-31.7175-106.9-16.1000111.4N104 P105 S110 W111N104-N107 HydrophobicContact CB-CB 4.12Å; N104-N107 WeakPolarHBondContact O-CB 3.35Å; N104-N107 PolarHBondContact O-N 2.93Å; P105-N107 VanDerWaalsContact C-N 3.28Å; P105-N107 PolarHBondContact O-N 3.38Å; N107-S110 PolarHBondContact O-N 3.42Å; N107-S110 PolarHBondContact O-OG 3.33Å; N107-W111 WeakPolarHBondContact O-CB 2.91Å; N107-W111 PolarHBondContact O-N 2.81Å
108M47.9Very low52Low83 Ų8382.6 Ų82.641%0.40943%0.434SS..Hα-helixtrans-63.9-48.4179.7-171.9179.774.600111.2R90 P105 L106 S110 W111 S112R90-M108 PolarHBondContact NE-SD 2.86Å; P105-M108 VanDerWaalsContact O-CB 3.24Å; P105-M108 WeakPolarHBondContact O-CB 3.37Å; P105-M108 PolarHBondContact O-N 2.9Å; L106-M108 PolarHBondContact O-N 3.27Å; M108-S110 VanDerWaalsContact C-N 3.32Å; M108-S110 PolarHBondContact O-N 3.2Å; M108-W111 PolarHBondContact O-N 3.27Å; M108-S112 PolarHBondContact O-N 2.76Å; M108-S112 PolarHBondContact O-OG 3.25Å
109I50.2Low51.8Low97 Ų9781.2 Ų81.250%0.49742%0.421SS..Hα-helixtrans-63.9-42175.7-61.5175000109.5L106 W111 S112 L113L106-I109 PolarHBondContact O-N 3.5Å; I109-W111 VanDerWaalsContact C-N 3.33Å; I109-W111 PolarHBondContact O-N 3.35Å; I109-S112 PolarHBondContact O-N 3.33Å; I109-L113 HydrophobicContact CG2-CD1 3.71Å; I109-L113 HydrophobicContact CG2-CG 4.12Å; I109-L113 VanDerWaalsContact O-CB 3.26Å; I109-L113 WeakPolarHBondContact O-CB 3.3Å; I109-L113 WeakPolarHBondContact O-CG 3.13Å; I109-L113 PolarHBondContact O-N 2.6Å
110S53.1Low51.7Low36 Ų3677.9 Ų77.925%0.25242%0.42SS..Hα-helixtrans-63-38.3178.692.80000112.8L106 N107 M108 K114L106-S110 PolarHBondContact O-N 2.96Å; L106-S110 VanDerWaalsContact O-N 3.09Å; N107-S110 PolarHBondContact O-N 3.42Å; N107-S110 PolarHBondContact O-OG 3.33Å; M108-S110 VanDerWaalsContact C-N 3.32Å; M108-S110 PolarHBondContact O-N 3.2Å; S110-K114 WeakPolarHBondContact O-CB 3.26Å; S110-K114 WeakPolarHBondContact O-CD 3.43Å; S110-K114 WeakPolarHBondContact O-CG 3.45Å; S110-K114 PolarHBondContact O-N 3.32Å
111W56.2Low51.8Low47 Ų4777.2 Ų77.218%0.17842%0.42CS..Hα-helixtrans-70.2-48.4179.5177.387.5000110.5A36 L38 V86 L89 N107 M108 I109 L113 K114 V115A36-W111 PolarHBondContact O-NE1 2.8Å; L38-W111 HydrophobicContact CD1-CZ2 3.67Å; L38-W111 HydrophobicContact CD2-CZ2 3.96Å; L38-W111 HydrophobicContact CG-CZ2 4.18Å; V86-W111 HydrophobicContact CG1-CE3 4.31Å; V86-W111 HydrophobicContact CG1-CH2 4.09Å; V86-W111 HydrophobicContact CG1-CZ3 3.48Å; V86-W111 VanDerWaalsContact CG1-CZ3 3.48Å; L89-W111 HydrophobicContact CB-CH2 4.11Å; N107-W111 WeakPolarHBondContact O-CB 2.91Å; N107-W111 PolarHBondContact O-N 2.81Å; M108-W111 PolarHBondContact O-N 3.27Å; I109-W111 VanDerWaalsContact C-N 3.33Å; I109-W111 PolarHBondContact O-N 3.35Å; W111-L113 VanDerWaalsContact C-N 3.31Å; W111-L113 PolarHBondContact O-N 3.38Å; W111-K114 PolarHBondContact O-N 3.28Å; W111-K114 VanDerWaalsContact O-N 3.16Å; W111-V115 HydrophobicContact CD2-CG2 4.08Å; W111-V115 HydrophobicContact CE3-CG2 4.41Å; W111-V115 HydrophobicContact CH2-CG2 4.4Å; W111-V115 HydrophobicContact CZ2-CG2 4.07Å; W111-V115 VanDerWaalsContact O-CG2 3.27Å; W111-V115 WeakPolarHBondContact O-CG2 3.47Å; W111-V115 PolarHBondContact O-N 3.3Å
112S53.1Low51.8Low33 Ų3376.7 Ų76.723%0.23142%0.422CS..Hα-helixtrans-62-40177-58.90000111.7M108 I109 V115 I116M108-S112 PolarHBondContact O-N 2.76Å; M108-S112 PolarHBondContact O-OG 3.25Å; I109-S112 PolarHBondContact O-N 3.33Å; S112-V115 PolarHBondContact O-N 2.93Å; S112-I116 WeakPolarHBondContact O-CB 3.09Å; S112-I116 WeakPolarHBondContact O-CG1 3.48Å; S112-I116 PolarHBondContact O-N 2.94Å
113L51.9Low51.8Low82 Ų8271.9 Ų71.943%0.42940%0.398SS..Hα-helixtrans-65.8-40.5174.6-73.5176.7000112.1I109 W111 V115 I116 D117I109-L113 HydrophobicContact CG2-CD1 3.71Å; I109-L113 HydrophobicContact CG2-CG 4.12Å; I109-L113 VanDerWaalsContact O-CB 3.26Å; I109-L113 WeakPolarHBondContact O-CB 3.3Å; I109-L113 WeakPolarHBondContact O-CG 3.13Å; I109-L113 PolarHBondContact O-N 2.6Å; W111-L113 VanDerWaalsContact C-N 3.31Å; W111-L113 PolarHBondContact O-N 3.38Å; L113-V115 VanDerWaalsContact C-N 3.34Å; L113-I116 PolarHBondContact O-N 3.46Å; L113-D117 WeakPolarHBondContact O-CB 3.16Å; L113-D117 PolarHBondContact O-N 3.24Å
114K54.5Low51.6Low124 Ų12470 Ų7054%0.53940%0.395SS..Hα-helixtrans-63.6-40.9174.8-77.9168.6-178.2176.20111.9S110 W111 S118S110-K114 WeakPolarHBondContact O-CB 3.26Å; S110-K114 WeakPolarHBondContact O-CD 3.43Å; S110-K114 WeakPolarHBondContact O-CG 3.45Å; S110-K114 PolarHBondContact O-N 3.32Å; W111-K114 PolarHBondContact O-N 3.28Å; W111-K114 VanDerWaalsContact O-N 3.16Å; K114-S118 VanDerWaalsContact O-CB 3.26Å; K114-S118 WeakPolarHBondContact O-CB 3.37Å; K114-S118 PolarHBondContact O-N 3.09Å; K114-S118 PolarHBondContact O-OG 3.27Å
115V55Low51.5Low12 Ų1267.6 Ų67.67%0.07339%0.389CS..Hα-helixtrans-63-50175.3173.30000109.3A36 V86 W111 S112 L113 D117 S118 F119A36-V115 HydrophobicContact CB-CG2 3.7Å; V86-V115 HydrophobicContact CG2-CG1 3.6Å; W111-V115 HydrophobicContact CD2-CG2 4.08Å; W111-V115 HydrophobicContact CE3-CG2 4.41Å; W111-V115 HydrophobicContact CH2-CG2 4.4Å; W111-V115 HydrophobicContact CZ2-CG2 4.07Å; W111-V115 VanDerWaalsContact O-CG2 3.27Å; W111-V115 WeakPolarHBondContact O-CG2 3.47Å; W111-V115 PolarHBondContact O-N 3.3Å; S112-V115 PolarHBondContact O-N 2.93Å; L113-V115 VanDerWaalsContact C-N 3.34Å; V115-D117 PolarHBondContact O-N 3.09Å; V115-S118 PolarHBondContact O-N 3.23Å; V115-S118 PolarHBondContact O-OG 2.95Å; V115-F119 HydrophobicContact CG1-CE2 3.68Å; V115-F119 WeakPolarHBondContact O-CD2 3.32Å; V115-F119 WeakPolarHBondContact O-CE2 3.4Å
116I54.6Low51.6Low24 Ų2465.4 Ų65.412%0.12337%0.372CS..Hα-helixtrans-61.2-44.9176.5-68.7166.2000112.1L83 S112 L113 S118 F119 L126L83-I116 HydrophobicContact CD2-CD1 4.02Å; S112-I116 WeakPolarHBondContact O-CB 3.09Å; S112-I116 WeakPolarHBondContact O-CG1 3.48Å; S112-I116 PolarHBondContact O-N 2.94Å; L113-I116 PolarHBondContact O-N 3.46Å; I116-S118 PolarHBondContact O-N 3.3Å; I116-F119 WeakPolarHBondContact O-CB 3.43Å; I116-F119 PolarHBondContact O-N 3.48Å; I116-F119 VanDerWaalsContact O-N 3.09Å; I116-L126 HydrophobicContact CG2-CD2 4.37Å
117D54.1Low51.5Low115 Ų11566.9 Ų66.962%0.61538%0.38SS*.Hα-helixtrans-61.8-35.2179.5-171.558.2000111.4L113 V115 F119 G120L113-D117 WeakPolarHBondContact O-CB 3.16Å; L113-D117 PolarHBondContact O-N 3.24Å; V115-D117 PolarHBondContact O-N 3.09Å; D117-F119 PolarHBondContact O-N 2.74Å; D117-G120 PolarHBondContact O-N 2.91Å
118S50.2Low51.4Low37 Ų3773.4 Ų73.426%0.25940%0.4SS..Hα-helixtrans-68.1-14.6176.774.30000114.5L32 K114 V115 I116 G120L32-S118 WeakPolarHBondContact CD1-O 3.29Å; L32-S118 WeakPolarHBondContact CD1-OG 3.37Å; K114-S118 VanDerWaalsContact O-CB 3.26Å; K114-S118 WeakPolarHBondContact O-CB 3.37Å; K114-S118 PolarHBondContact O-N 3.09Å; K114-S118 PolarHBondContact O-OG 3.27Å; V115-S118 PolarHBondContact O-N 3.23Å; V115-S118 PolarHBondContact O-OG 2.95Å; I116-S118 PolarHBondContact O-N 3.3Å; S118-G120 VanDerWaalsContact C-N 3.28Å; S118-G120 PolarHBondContact O-N 3.35Å
119F51.1Low51Low47 Ų4772.5 Ų72.521%0.20641%0.411CS..THydrogen-bonded Turntrans-80.2-3174-71.5-79.7000114.4T22 L32 L82 V115 I116 D117T22-F119 HydrophobicContact CG2-CD1 4.32Å; T22-F119 HydrophobicContact CG2-CE1 4.38Å; L32-F119 HydrophobicContact CD2-CE1 3.72Å; L32-F119 HydrophobicContact CD2-CZ 3.78Å; L82-F119 HydrophobicContact CD1-CD2 4.46Å; L82-F119 HydrophobicContact CD1-CE1 3.74Å; L82-F119 HydrophobicContact CD1-CE2 3.67Å; L82-F119 HydrophobicContact CD1-CZ 3.27Å; L82-F119 HydrophobicContact CD2-CD1 4.16Å; L82-F119 HydrophobicContact CD2-CD2 3.63Å; L82-F119 HydrophobicContact CD2-CE1 4.17Å; L82-F119 HydrophobicContact CD2-CE2 3.65Å; L82-F119 HydrophobicContact CD2-CG 3.92Å; L82-F119 HydrophobicContact CD2-CZ 3.95Å; L82-F119 HydrophobicContact CG-CE2 4.08Å; L82-F119 HydrophobicContact CG-CZ 4.15Å; V115-F119 HydrophobicContact CG1-CE2 3.68Å; V115-F119 WeakPolarHBondContact O-CD2 3.32Å; V115-F119 WeakPolarHBondContact O-CE2 3.4Å; I116-F119 WeakPolarHBondContact O-CB 3.43Å; I116-F119 PolarHBondContact O-N 3.48Å; I116-F119 VanDerWaalsContact O-N 3.09Å; D117-F119 PolarHBondContact O-N 2.74Å
120G51.3Low50.6Low56 Ų5670.3 Ų70.358%0.57740%0.401SS*.SBendtrans85.5117176.900000112.7D117 S118D117-G120 PolarHBondContact O-N 2.91Å; S118-G120 VanDerWaalsContact C-N 3.28Å; S118-G120 PolarHBondContact O-N 3.35Å
121K51.3Low50.5Low130 Ų13073 Ų7357%0.56542%0.416SS*.SBendtrans41.596-178.4-69.3-168.4178.5-170.30114.9E138K121-E138 IonicContact NZ-OE1 2.81Å; K121-E138 PolarHBondContact NZ-OE1 3.12Å; K121-E138 IonicContact NZ-OE2 2.64Å; K121-E138 PolarHBondContact NZ-OE2 3.2Å
122A52.3Low50Low46 Ų4680 Ų8038%0.3844%0.442SS..PPolyproline II helixtrans-51.2136.9165.700000111S124 L126A122-S124 PolarHBondContact O-N 3.26Å; A122-L126 HydrophobicContact CB-CD2 3.98Å
123P51Low49.8Very low33 Ų3382.4 Ų82.421%0.21445%0.451CS..PPolyproline II helixtrans-59.8139.3178.523.5-31.9000110.6G125 L126P123-G125 PolarHBondContact O-N 3.25Å; P123-L126 HydrophobicContact CG-CD1 4.48Å; P123-L126 WeakPolarHBondContact O-CB 3.33Å; P123-L126 PolarHBondContact O-N 3.25Å
124S48.8Very low49.7Very low98 Ų9885.6 Ų85.669%0.68547%0.468SS*.THydrogen-bonded Turntrans-59.7134.4178.1-60.20000110.9A122A122-S124 PolarHBondContact O-N 3.26Å
125G48.4Very low49.4Very low26 Ų2681.5 Ų81.527%0.26846%0.461SS..THydrogen-bonded Turntrans86.65.6-178.900000115P123 L127 Y128 G129 N130P123-G125 PolarHBondContact O-N 3.25Å; G125-L127 VanDerWaalsContact C-N 3.27Å; G125-L127 PolarHBondContact O-N 2.79Å; G125-Y128 CarbonylContact O-C 3.46Å; G125-Y128 WeakPolarHBondContact O-CA 3.32Å; G125-Y128 PolarHBondContact O-N 3.4Å; G125-G129 PolarHBondContact O-N 2.89Å; G125-N130 VanDerWaalsContact O-CB 3.23Å; G125-N130 WeakPolarHBondContact O-CB 3.1Å; G125-N130 PolarHBondContact O-N 2.84Å
126L50.8Low49.2Very low50 Ų5082.4 Ų82.426%0.26247%0.467SS..G310 helixtrans-51.8-42.6175.8-176.565.1000113.1F79 I116 A122 P123 Y128 G129F79-L126 HydrophobicContact CZ-CD1 4.31Å; I116-L126 HydrophobicContact CG2-CD2 4.37Å; A122-L126 HydrophobicContact CB-CD2 3.98Å; P123-L126 HydrophobicContact CG-CD1 4.48Å; P123-L126 WeakPolarHBondContact O-CB 3.33Å; P123-L126 PolarHBondContact O-N 3.25Å; L126-Y128 PolarHBondContact O-N 3.13Å; L126-G129 PolarHBondContact O-N 2.81Å
127L43.2Very low49Very low154 Ų15490 Ų9081%0.80650%0.496SS*.G310 helixtrans-68-14.4176.9-66.5177000114G125G125-L127 VanDerWaalsContact C-N 3.27Å; G125-L127 PolarHBondContact O-N 2.79Å
128Y50Low48.9Very low212 Ų21289.8 Ų89.883%0.83149%0.491SS*.G310 helixtrans-108.314.5-179.6-60.4-77.2000112.2G125 L126 N130G125-Y128 CarbonylContact O-C 3.46Å; G125-Y128 WeakPolarHBondContact O-CA 3.32Å; G125-Y128 PolarHBondContact O-N 3.4Å; L126-Y128 PolarHBondContact O-N 3.13Å; Y128-N130 VanDerWaalsContact C-N 3.25Å; Y128-N130 PolarHBondContact O-N 3.46Å
129G39.1Very low48.9Very low63 Ų6392.3 Ų92.365%0.64950%0.499SS*.THydrogen-bonded Turntrans7512.7-177.800000113.9G125 L126 V131G125-G129 PolarHBondContact O-N 2.89Å; L126-G129 PolarHBondContact O-N 2.81Å; G129-V131 PolarHBondContact O-N 3.21Å
130N43.6Very low49.1Very low52 Ų5294.4 Ų94.428%0.27852%0.518SS..  trans-79.6106.6174.6-162.40000109.7G125 Y128 W132G125-N130 VanDerWaalsContact O-CB 3.23Å; G125-N130 WeakPolarHBondContact O-CB 3.1Å; G125-N130 PolarHBondContact O-N 2.84Å; Y128-N130 VanDerWaalsContact C-N 3.25Å; Y128-N130 PolarHBondContact O-N 3.46Å; N130-W132 WeakPolarHBondContact OD1-CB 3.34Å; N130-W132 PolarHBondContact OD1-N 3.48Å; N130-W132 VanDerWaalsContact OD1-N 3.13Å
131V50.6Low49.2Very low93 Ų9396 Ų9656%0.56452%0.517SS*.  trans-98.61176-65.10000112.2G129 M133G129-V131 PolarHBondContact O-N 3.21Å; V131-M133 PolarHBondContact O-N 3.47Å
132W44.3Very low49.4Very low192 Ų19298.5 Ų98.573%0.72753%0.527SS*.  trans-82.1111.9177.5-61.289.3000109.9N130 L134N130-W132 WeakPolarHBondContact OD1-CB 3.34Å; N130-W132 PolarHBondContact OD1-N 3.48Å; N130-W132 VanDerWaalsContact OD1-N 3.13Å; W132-L134 HydrophobicContact CB-CD2 4.33Å; W132-L134 HydrophobicContact CB-CG 4.46Å; W132-L134 PolarHBondContact O-N 3.49Å; W132-L134 VanDerWaalsContact O-N 3.12Å
133M49.9Very low49.5Very low84 Ų84100.9 Ų100.941%0.41454%0.537SS..  trans-78.194.2173.3-166-177.5-158.200109.4T73 I74 V131 G135T73-M133 HydrophobicContact CG2-CE 4.32Å; T73-M133 HydrophobicContact CG2-SD 4.37Å; I74-M133 HydrophobicContact CG2-SD 4.43Å; V131-M133 PolarHBondContact O-N 3.47Å; M133-G135 PolarHBondContact O-N 3.26Å
134L50.5Low49.6Very low150 Ų150104.3 Ų104.379%0.78556%0.562SS**  trans-82.715.3-179.5-60.4177.4000113.8W132W132-L134 HydrophobicContact CB-CD2 4.33Å; W132-L134 HydrophobicContact CB-CG 4.46Å; W132-L134 PolarHBondContact O-N 3.49Å; W132-L134 VanDerWaalsContact O-N 3.12Å
135G47.8Very low49.9Very low38 Ų38107.3 Ų107.339%0.39257%0.565SS.*  trans84.3172.6-173.200000113.6M133M133-G135 PolarHBondContact O-N 3.26Å
136S51.1Low50.2Low30 Ų30115 Ų11521%0.2159%0.594CS.*  trans-77138.1176.5176.60000110.4E138 Q139 C140S136-E138 PolarHBondContact O-N 3.09Å; S136-E138 VanDerWaalsContact O-N 3.11Å; S136-E138 PolarHBondContact OG-N 3.14Å; S136-E138 PolarHBondContact OG-OE2 3.04Å; S136-Q139 WeakPolarHBondContact O-CA 3.45Å; S136-Q139 WeakPolarHBondContact O-CB 3.37Å; S136-Q139 PolarHBondContact O-N 3.47Å; S136-C140 PolarHBondContact O-N 3.11Å; S136-C140 VanDerWaalsContact O-N 3.14Å
137Y50Low50.6Low183 Ų183119.9 Ų119.972%0.71862%0.618SS**Hα-helixtrans-47.8-39.8170.2176-99.5000111.7Q139 C140 V141Y137-Q139 VanDerWaalsContact C-N 3.27Å; Y137-Q139 PolarHBondContact O-N 3.31Å; Y137-C140 WeakPolarHBondContact O-CB 3.5Å; Y137-C140 PolarHBondContact O-N 3.2Å; Y137-C140 VanDerWaalsContact O-N 3.09Å; Y137-V141 HydrophobicContact CD1-CG2 4.09Å; Y137-V141 HydrophobicContact CE1-CG2 3.66Å; Y137-V141 HydrophobicContact CE2-CG2 4.28Å; Y137-V141 WeakPolarHBondContact O-CG2 3.37Å; Y137-V141 PolarHBondContact O-N 2.67Å
138E51.1Low50.9Low112 Ų112121.5 Ų121.552%0.52362%0.619SS.*Hα-helixtrans-68-23.9179.7-63.7152.8168.700113.6K121 S136K121-E138 IonicContact NZ-OE1 2.81Å; K121-E138 PolarHBondContact NZ-OE1 3.12Å; K121-E138 IonicContact NZ-OE2 2.64Å; K121-E138 PolarHBondContact NZ-OE2 3.2Å; S136-E138 PolarHBondContact O-N 3.09Å; S136-E138 VanDerWaalsContact O-N 3.11Å; S136-E138 PolarHBondContact OG-N 3.14Å; S136-E138 PolarHBondContact OG-OE2 3.04Å
139Q50.5Low51Low89 Ų89120 Ų12042%0.41662%0.62SS.*Hα-helixtrans-79.3-36.6171.7-70.4176.1-31.800110.7S136 Y137 V141 K142 V143S136-Q139 WeakPolarHBondContact O-CA 3.45Å; S136-Q139 WeakPolarHBondContact O-CB 3.37Å; S136-Q139 PolarHBondContact O-N 3.47Å; Y137-Q139 VanDerWaalsContact C-N 3.27Å; Y137-Q139 PolarHBondContact O-N 3.31Å; Q139-V141 PolarHBondContact O-N 2.64Å; Q139-K142 PolarHBondContact O-N 2.86Å; Q139-V143 WeakPolarHBondContact O-CG2 3.42Å; Q139-V143 PolarHBondContact O-N 3.3Å
140C54.7Low51.5Low91 Ų91126.1 Ų126.162%0.61563%0.631SS**Hα-helixtrans-65.3-37.9177.3-153.30000112.1S136 Y137 K142 V143S136-C140 PolarHBondContact O-N 3.11Å; S136-C140 VanDerWaalsContact O-N 3.14Å; Y137-C140 WeakPolarHBondContact O-CB 3.5Å; Y137-C140 PolarHBondContact O-N 3.2Å; Y137-C140 VanDerWaalsContact O-N 3.09Å; C140-K142 PolarHBondContact O-N 3.2Å; C140-V143 PolarHBondContact O-N 3.42Å
141V54.5Low51.2Low91 Ų91136.3 Ų136.355%0.55268%0.677SS**THydrogen-bonded Turntrans-63.8-23.1176.1177.60000112.7Y137 Q139Y137-V141 HydrophobicContact CD1-CG2 4.09Å; Y137-V141 HydrophobicContact CE1-CG2 3.66Å; Y137-V141 HydrophobicContact CE2-CG2 4.28Å; Y137-V141 WeakPolarHBondContact O-CG2 3.37Å; Y137-V141 PolarHBondContact O-N 2.67Å; Q139-V141 PolarHBondContact O-N 2.64Å
142K55.1Low51.3Low181 Ų181138.5 Ų138.579%0.78768%0.683SS**THydrogen-bonded Turntrans-88.3-8.1174.7-68.8-176-179.5-179.60113.6Q139 C140 S144Q139-K142 PolarHBondContact O-N 2.86Å; C140-K142 PolarHBondContact O-N 3.2Å; K142-S144 PolarHBondContact O-N 3.29Å; K142-S144 VanDerWaalsContact O-N 3.11Å
143V54.4Low51.6Low96 Ų96135.7 Ų135.758%0.58268%0.681SS**  trans-85.661.3170.6-169.20000108.7Q139 C140 Q145Q139-V143 WeakPolarHBondContact O-CG2 3.42Å; Q139-V143 PolarHBondContact O-N 3.3Å; C140-V143 PolarHBondContact O-N 3.42Å; V143-Q145 HydrophobicContact CG1-CG 4.42Å; V143-Q145 PolarHBondContact O-N 3.11Å
144S53.2Low51.7Low105 Ų105138.6 Ų138.673%0.73470%0.695SS**  trans-87.668.7157.373.70000107.7K142 H146K142-S144 PolarHBondContact O-N 3.29Å; K142-S144 VanDerWaalsContact O-N 3.11Å; S144-H146 PolarHBondContact O-N 3.44Å
145Q55.5Low51.8Low161 Ų161137.9 Ų137.975%0.75269%0.69SS**  trans-73.3123.9164.6-81.3-171.5-28.600107.3V143 I147V143-Q145 HydrophobicContact CG1-CG 4.42Å; V143-Q145 PolarHBondContact O-N 3.11Å; Q145-I147 PolarHBondContact O-N 2.99Å
146H54.2Low52.1Low188 Ų188144.1 Ų144.187%0.8771%0.709SS**  trans-54.4105163.5-96.4-76000107.4S144 K148S144-H146 PolarHBondContact O-N 3.44Å; H146-K148 VanDerWaalsContact C-N 3.32Å; H146-K148 PolarHBondContact O-N 2.95Å
147I59.2Low52.1Low152 Ų152151.7 Ų151.778%0.77974%0.742SS**  trans-64.1102.7165.1-56.5174.5000104.2Q145 E149Q145-I147 PolarHBondContact O-N 2.99Å; I147-E149 PolarHBondContact O-N 3.2Å
148K49Very low52.3Low188 Ų188149.5 Ų149.582%0.81774%0.744SS**  trans-67.8109.4161.1-72-173.2177-175.10104.9H146 Q150H146-K148 VanDerWaalsContact C-N 3.32Å; H146-K148 PolarHBondContact O-N 2.95Å; K148-Q150 PolarHBondContact O-N 3.18Å
149E52.9Low52.4Low181 Ų181152.4 Ų152.485%0.84676%0.761SS**  trans-52123.3162.7-75173.2155.300106.9I147 E151I147-E149 PolarHBondContact O-N 3.2Å; E149-E151 PolarHBondContact O-N 2.89Å
150Q48.8Very low52.5Low192 Ų192157.7 Ų157.790%0.89779%0.79SS**  trans-67.6127165.9-72.9-173.4-54.900106.6K148K148-Q150 PolarHBondContact O-N 3.18Å
151E39.1Very low52.4Low266 Ų266163.7 Ų163.7100%1.24381%0.805SS**  trans-46.60179.4-151.9169.717700114.1E149E149-E151 PolarHBondContact O-N 2.89Å

Retrieved 151 of 151 residues in 102.3 ms (Link to these results)

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