A0A077ZDG9_TRITR Loading...

Y phosphatase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDG9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 389 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
1M44.1Very low56.8Low186 Ų18679.6 Ų79.692%0.91638%0.38SS*.  0139.70-88.8-178.5-172.100109.5S5 E9M1-S5 WeakPolarHBondContact CB-OG 3.32Å; M1-S5 WeakPolarHBondContact CG-OG 3.16Å; M1-E9 VanDerWaalsContact CE-OE1 3.29Å; M1-E9 WeakPolarHBondContact CE-OE1 3.42Å
2N49.9Very low58.4Low63 Ų6381 Ų8134%0.33739%0.39SS..  trans-88.2164.6172.867.529.2000110.5L4 S5 R6 Y329N2-L4 PolarHBondContact O-N 3.45Å; N2-L4 VanDerWaalsContact O-N 3.08Å; N2-L4 WeakPolarHBondContact OD1-CA 3.37Å; N2-L4 WeakPolarHBondContact OD1-CB 3.29Å; N2-L4 PolarHBondContact OD1-N 2.95Å; N2-L4 VanDerWaalsContact OD1-N 3.14Å; N2-S5 PolarHBondContact N-OG 2.83Å; N2-S5 PolarHBondContact O-N 3.24Å; N2-S5 PolarHBondContact O-OG 3.2Å; N2-S5 PolarHBondContact OD1-N 2.88Å; N2-R6 PolarHBondContact O-N 2.82Å; N2-Y329 HydrophobicContact CB-CE1 4.12Å; N2-Y329 HydrophobicContact CB-CE2 3.79Å; N2-Y329 WeakPolarHBondContact CB-OH 3.17Å; N2-Y329 VanDerWaalsContact CG-CE1 3.47Å; N2-Y329 WeakPolarHBondContact ND2-CE1 3.46Å; N2-Y329 PolarHBondContact ND2-OH 3.32Å
3V45.8Very low60Low53 Ų5381.8 Ų81.832%0.32139%0.393SS..Hα-helixtrans-53-33.9-179175.90000111.8L7 M314 L326 Y329V3-L7 HydrophobicContact CG1-CD1 3.96Å; V3-L7 HydrophobicContact CG1-CG 4.32Å; V3-L7 WeakPolarHBondContact O-CG 3.42Å; V3-L7 PolarHBondContact O-N 3.36Å; V3-M314 HydrophobicContact CG2-CE 3.45Å; V3-M314 VanDerWaalsContact CG2-CE 3.45Å; V3-M314 HydrophobicContact CG2-SD 4.47Å; V3-L326 HydrophobicContact CB-CD1 4.45Å; V3-Y329 HydrophobicContact CB-CD2 4.4Å
4L41.4Very low61Low15 Ų1581.2 Ų81.28%0.07939%0.385CS..Hα-helixtrans-66.6-48.4-179.5-128-156.8000114.7N2 R6 L7 R8 Y329 F332 F333N2-L4 PolarHBondContact O-N 3.45Å; N2-L4 VanDerWaalsContact O-N 3.08Å; N2-L4 WeakPolarHBondContact OD1-CA 3.37Å; N2-L4 WeakPolarHBondContact OD1-CB 3.29Å; N2-L4 PolarHBondContact OD1-N 2.95Å; N2-L4 VanDerWaalsContact OD1-N 3.14Å; L4-R6 PolarHBondContact O-N 3.36Å; L4-L7 PolarHBondContact O-N 3.3Å; L4-R8 VanDerWaalsContact O-CB 3.28Å; L4-R8 WeakPolarHBondContact O-CB 3.19Å; L4-R8 PolarHBondContact O-N 3.23Å; L4-Y329 HydrophobicContact CB-CD1 3.36Å; L4-Y329 HydrophobicContact CB-CD2 4.25Å; L4-Y329 HydrophobicContact CB-CE1 3.76Å; L4-Y329 HydrophobicContact CB-CG 3.63Å; L4-Y329 HydrophobicContact CD1-CD1 3.14Å; L4-Y329 HydrophobicContact CD1-CE1 3.82Å; L4-Y329 HydrophobicContact CD1-CG 3.92Å; L4-Y329 WeakPolarHBondContact CD2-O 3.46Å; L4-Y329 VanDerWaalsContact CG-CB 3.41Å; L4-Y329 HydrophobicContact CG-CD1 3.18Å; L4-Y329 HydrophobicContact CG-CD2 4.46Å; L4-Y329 HydrophobicContact CG-CE1 4.03Å; L4-Y329 HydrophobicContact CG-CG 3.43Å; L4-Y329 VanDerWaalsContact CG-CG 3.43Å; L4-F332 HydrophobicContact CD1-CB 3.74Å; L4-F332 HydrophobicContact CD1-CD1 3.36Å; L4-F332 HydrophobicContact CD1-CE1 4.08Å; L4-F332 HydrophobicContact CD1-CG 3.76Å; L4-F332 HydrophobicContact CD2-CB 4.44Å; L4-F332 HydrophobicContact CD2-CD1 3.71Å; L4-F332 HydrophobicContact CG-CD1 4.1Å; L4-F333 HydrophobicContact CD2-CB 4.37Å
5S55Low61.9Low35 Ų3581.1 Ų81.125%0.24539%0.388CS..Hα-helixtrans-61.7-38.8-178.264.50000108.1M1 N2 E9M1-S5 WeakPolarHBondContact CB-OG 3.32Å; M1-S5 WeakPolarHBondContact CG-OG 3.16Å; N2-S5 PolarHBondContact N-OG 2.83Å; N2-S5 PolarHBondContact O-N 3.24Å; N2-S5 PolarHBondContact O-OG 3.2Å; N2-S5 PolarHBondContact OD1-N 2.88Å; S5-E9 VanDerWaalsContact O-CB 3.27Å; S5-E9 WeakPolarHBondContact O-CB 3.45Å; S5-E9 WeakPolarHBondContact O-CG 3.02Å; S5-E9 PolarHBondContact O-N 3.25Å
6R59.2Low63.1Low133 Ų13386.8 Ų86.850%0.50241%0.41SS..Hα-helixtrans-66.5-49.6174.6-172.5177.7160-177.5-4.1113.4N2 L4 R8 E9 E10N2-R6 PolarHBondContact O-N 2.82Å; L4-R6 PolarHBondContact O-N 3.36Å; R6-R8 VanDerWaalsContact C-N 3.29Å; R6-R8 PolarHBondContact O-N 2.89Å; R6-E9 PolarHBondContact O-N 2.84Å; R6-E10 IonicContact CZ-OE1 3.58Å; R6-E10 IonicContact NE-OE1 2.89Å; R6-E10 PolarHBondContact NE-OE1 3.29Å; R6-E10 IonicContact NH2-OE1 3.36Å; R6-E10 PolarHBondContact NH2-OE1 3.35Å; R6-E10 WeakPolarHBondContact O-CB 3.47Å; R6-E10 WeakPolarHBondContact O-CG 3.3Å; R6-E10 PolarHBondContact O-N 2.84Å
7L55.6Low64.2Low70 Ų7087.8 Ų87.837%0.36641%0.414SS..Hα-helixtrans-61-38.9176.9-77.1173.8000111.9V3 L4 E10 L11 F333V3-L7 HydrophobicContact CG1-CD1 3.96Å; V3-L7 HydrophobicContact CG1-CG 4.32Å; V3-L7 WeakPolarHBondContact O-CG 3.42Å; V3-L7 PolarHBondContact O-N 3.36Å; L4-L7 PolarHBondContact O-N 3.3Å; L7-E10 PolarHBondContact O-N 3.14Å; L7-L11 WeakPolarHBondContact O-CB 3.04Å; L7-L11 WeakPolarHBondContact O-CG 2.89Å; L7-L11 PolarHBondContact O-N 3.08Å; L7-F333 HydrophobicContact CB-CD2 4.46Å; L7-F333 HydrophobicContact CB-CE2 4.48Å
8R58.7Low65.1Low122 Ų12288.2 Ų88.246%0.4643%0.428SS..Hα-helixtrans-67.2-44.1175.5178.3165.2179.5-134.97.6111.6L4 R6 E10 L11 L12 F332L4-R8 VanDerWaalsContact O-CB 3.28Å; L4-R8 WeakPolarHBondContact O-CB 3.19Å; L4-R8 PolarHBondContact O-N 3.23Å; R6-R8 VanDerWaalsContact C-N 3.29Å; R6-R8 PolarHBondContact O-N 2.89Å; R8-E10 VanDerWaalsContact C-N 3.32Å; R8-L11 PolarHBondContact O-N 3.33Å; R8-L12 HydrophobicContact CG-CD1 3.8Å; R8-L12 HydrophobicContact CG-CG 4.26Å; R8-L12 VanDerWaalsContact O-CB 3.31Å; R8-L12 WeakPolarHBondContact O-CB 3.34Å; R8-L12 VanDerWaalsContact O-CG 3.23Å; R8-L12 WeakPolarHBondContact O-CG 3.28Å; R8-L12 PolarHBondContact O-N 3.36Å; R8-F332 VanDerWaalsContact CD-CE1 3.43Å
9E73Confident65.8Low97 Ų9787 Ų8745%0.45342%0.423SS..Hα-helixtrans-61.2-41.9174.3-79.3167.6-160.500111.2M1 S5 R6 L12 H13M1-E9 VanDerWaalsContact CE-OE1 3.29Å; M1-E9 WeakPolarHBondContact CE-OE1 3.42Å; S5-E9 VanDerWaalsContact O-CB 3.27Å; S5-E9 WeakPolarHBondContact O-CB 3.45Å; S5-E9 WeakPolarHBondContact O-CG 3.02Å; S5-E9 PolarHBondContact O-N 3.25Å; R6-E9 PolarHBondContact O-N 2.84Å; E9-L12 PolarHBondContact O-N 3.43Å; E9-H13 WeakPolarHBondContact O-CB 3.41Å; E9-H13 PolarHBondContact O-N 3.29Å
10E71.9Confident66.1Low61 Ų6184.8 Ų84.829%0.28541%0.41SS..Hα-helixtrans-62.6-46.9175-75.1172.6-172.700111.4R6 L7 R8 H13 Y14R6-E10 IonicContact CZ-OE1 3.58Å; R6-E10 IonicContact NE-OE1 2.89Å; R6-E10 PolarHBondContact NE-OE1 3.29Å; R6-E10 IonicContact NH2-OE1 3.36Å; R6-E10 PolarHBondContact NH2-OE1 3.35Å; R6-E10 WeakPolarHBondContact O-CB 3.47Å; R6-E10 WeakPolarHBondContact O-CG 3.3Å; R6-E10 PolarHBondContact O-N 2.84Å; L7-E10 PolarHBondContact O-N 3.14Å; R8-E10 VanDerWaalsContact C-N 3.32Å; E10-H13 WeakPolarHBondContact O-CB 3.12Å; E10-H13 PolarHBondContact O-N 2.79Å; E10-Y14 HydrophobicContact CB-CE2 4.27Å; E10-Y14 WeakPolarHBondContact O-CD2 3.45Å; E10-Y14 VanDerWaalsContact O-CG 3.27Å; E10-Y14 PolarHBondContact O-N 3.38Å
11L70.1Confident66.5Low41 Ų4185.9 Ų85.922%0.21542%0.418CS..Hα-helixtrans-60.5-48.4174.9-77.4179.8000112.5L7 R8 H13 Y14 D15 W20 F333 F337L7-L11 WeakPolarHBondContact O-CB 3.04Å; L7-L11 WeakPolarHBondContact O-CG 2.89Å; L7-L11 PolarHBondContact O-N 3.08Å; R8-L11 PolarHBondContact O-N 3.33Å; L11-H13 VanDerWaalsContact C-N 3.26Å; L11-H13 PolarHBondContact O-N 2.86Å; L11-Y14 PolarHBondContact O-N 2.82Å; L11-D15 PolarHBondContact O-N 2.89Å; L11-W20 HydrophobicContact CD2-CH2 3.73Å; L11-W20 HydrophobicContact CD2-CZ2 4.43Å; L11-F333 HydrophobicContact CD1-CD2 3.76Å; L11-F333 HydrophobicContact CD1-CE2 3.18Å; L11-F333 HydrophobicContact CD1-CZ 3.76Å; L11-F333 HydrophobicContact CD2-CE2 4.37Å; L11-F333 HydrophobicContact CD2-CZ 4.44Å; L11-F333 HydrophobicContact CG-CE2 3.91Å; L11-F333 HydrophobicContact CG-CZ 4.45Å; L11-F337 HydrophobicContact CD1-CE2 3.97Å; L11-F337 HydrophobicContact CD2-CE2 4.39Å
12L76.5Confident68Low96 Ų9680.6 Ų80.650%0.50340%0.399SS..Hα-helixtrans-63.4-35.6178.3-73.3171.4000111.1R8 E9 K16R8-L12 HydrophobicContact CG-CD1 3.8Å; R8-L12 HydrophobicContact CG-CG 4.26Å; R8-L12 VanDerWaalsContact O-CB 3.31Å; R8-L12 WeakPolarHBondContact O-CB 3.34Å; R8-L12 VanDerWaalsContact O-CG 3.23Å; R8-L12 WeakPolarHBondContact O-CG 3.28Å; R8-L12 PolarHBondContact O-N 3.36Å; E9-L12 PolarHBondContact O-N 3.43Å; L12-K16 WeakPolarHBondContact O-CB 3.43Å; L12-K16 PolarHBondContact O-N 2.94Å
13H78.6Confident69Low91 Ų9178.5 Ų78.542%0.42139%0.388SS..Hα-helixtrans-63.7-49.6173.5179.481.4000110.9E9 E10 L11 D15 K16 H17E9-H13 WeakPolarHBondContact O-CB 3.41Å; E9-H13 PolarHBondContact O-N 3.29Å; E10-H13 WeakPolarHBondContact O-CB 3.12Å; E10-H13 PolarHBondContact O-N 2.79Å; L11-H13 VanDerWaalsContact C-N 3.26Å; L11-H13 PolarHBondContact O-N 2.86Å; H13-D15 VanDerWaalsContact C-N 3.31Å; H13-D15 PolarHBondContact O-N 3.46Å; H13-K16 PolarHBondContact O-N 2.82Å; H13-H17 AromaticContact CE1-CD2 3.24Å; H13-H17 PolarHBondContact CE1-CD2 2.94Å; H13-H17 AromaticContact CE1-NE2 3.46Å; H13-H17 PolarHBondContact CE1-NE2 3.13Å; H13-H17 AromaticContact CG-CD2 3.78Å; H13-H17 AromaticContact ND1-CD2 3.22Å; H13-H17 PolarHBondContact ND1-CD2 2.89Å; H13-H17 AromaticContact ND1-NE2 3.44Å; H13-H17 PolarHBondContact ND1-NE2 3.36Å; H13-H17 AromaticContact NE2-CD2 3.82Å; H13-H17 WeakPolarHBondContact O-CB 3.05Å; H13-H17 PolarHBondContact O-CD2 3.4Å; H13-H17 PolarHBondContact O-N 3.39Å
14Y73.6Confident70Confident74 Ų7476.9 Ų76.929%0.2938%0.377SS..Hα-helixtrans-60.6-40.5178.2-64-40.9000113E10 L11 S18 M19 I23E10-Y14 HydrophobicContact CB-CE2 4.27Å; E10-Y14 WeakPolarHBondContact O-CD2 3.45Å; E10-Y14 VanDerWaalsContact O-CG 3.27Å; E10-Y14 PolarHBondContact O-N 3.38Å; L11-Y14 PolarHBondContact O-N 2.82Å; Y14-S18 PolarHBondContact O-N 3.46Å; Y14-M19 HydrophobicContact CD1-CB 3.98Å; Y14-M19 HydrophobicContact CD1-CE 4.18Å; Y14-M19 HydrophobicContact CD1-CG 4.45Å; Y14-M19 HydrophobicContact CD1-SD 3.78Å; Y14-M19 HydrophobicContact CE1-CE 4.2Å; Y14-M19 HydrophobicContact CE1-SD 4.29Å; Y14-M19 PolarHBondContact O-N 3.24Å; Y14-I23 HydrophobicContact CD1-CD1 4Å; Y14-I23 HydrophobicContact CD2-CD1 3.85Å; Y14-I23 HydrophobicContact CE1-CD1 4.28Å; Y14-I23 HydrophobicContact CE2-CD1 4.13Å; Y14-I23 HydrophobicContact CG-CD1 3.79Å
15D74.7Confident71.6Confident80 Ų8082.9 Ų82.943%0.42840%0.403SS..Hα-helixtrans-68.3-50.3178.1-160.757.7000111.7L11 H13 H17 S18 W20L11-D15 PolarHBondContact O-N 2.89Å; H13-D15 VanDerWaalsContact C-N 3.31Å; H13-D15 PolarHBondContact O-N 3.46Å; D15-H17 PolarHBondContact O-N 3.44Å; D15-S18 PolarHBondContact O-N 3.22Å; D15-W20 PolarHBondContact OD1-NE1 3.15Å; D15-W20 VanDerWaalsContact OD1-NE1 3.1Å
16K80.9Confident72.6Confident171 Ų17184.7 Ų84.774%0.74341%0.407SS*.Hα-helixtrans-56-36.1176.7-176.8178.3179.8-179.60112.4L12 H13L12-K16 WeakPolarHBondContact O-CB 3.43Å; L12-K16 PolarHBondContact O-N 2.94Å; H13-K16 PolarHBondContact O-N 2.82Å
17H82.4Confident73.1Confident104 Ų10478.4 Ų78.448%0.48138%0.384SS..THydrogen-bonded Turntrans-98.18.7-178.9-66.7-73.2000113.9H13 D15 M19H13-H17 AromaticContact CE1-CD2 3.24Å; H13-H17 PolarHBondContact CE1-CD2 2.94Å; H13-H17 AromaticContact CE1-NE2 3.46Å; H13-H17 PolarHBondContact CE1-NE2 3.13Å; H13-H17 AromaticContact CG-CD2 3.78Å; H13-H17 AromaticContact ND1-CD2 3.22Å; H13-H17 PolarHBondContact ND1-CD2 2.89Å; H13-H17 AromaticContact ND1-NE2 3.44Å; H13-H17 PolarHBondContact ND1-NE2 3.36Å; H13-H17 AromaticContact NE2-CD2 3.82Å; H13-H17 WeakPolarHBondContact O-CB 3.05Å; H13-H17 PolarHBondContact O-CD2 3.4Å; H13-H17 PolarHBondContact O-N 3.39Å; D15-H17 PolarHBondContact O-N 3.44Å; H17-M19 HydrophobicContact CB-CG 3.68Å; H17-M19 HydrophobicContact CB-SD 3.91Å; H17-M19 PolarHBondContact O-N 3.24Å; H17-M19 VanDerWaalsContact O-N 3.13Å
18S80.8Confident73.8Confident95 Ų9576.6 Ų76.666%0.66437%0.374SS*.THydrogen-bonded Turntrans50.936.2179.9-61.90000113.7Y14 D15 W20Y14-S18 PolarHBondContact O-N 3.46Å; D15-S18 PolarHBondContact O-N 3.22Å; S18-W20 VanDerWaalsContact C-N 3.26Å; S18-W20 PolarHBondContact O-N 2.88Å
19M78.4Confident74.6Confident66 Ų6678.9 Ų78.933%0.32538%0.383SS..THydrogen-bonded Turntrans-80.4-4.4-172.6-65.1-178.466.900113.7Y14 H17 D21 S22 I23Y14-M19 HydrophobicContact CD1-CB 3.98Å; Y14-M19 HydrophobicContact CD1-CE 4.18Å; Y14-M19 HydrophobicContact CD1-CG 4.45Å; Y14-M19 HydrophobicContact CD1-SD 3.78Å; Y14-M19 HydrophobicContact CE1-CE 4.2Å; Y14-M19 HydrophobicContact CE1-SD 4.29Å; Y14-M19 PolarHBondContact O-N 3.24Å; H17-M19 HydrophobicContact CB-CG 3.68Å; H17-M19 HydrophobicContact CB-SD 3.91Å; H17-M19 PolarHBondContact O-N 3.24Å; H17-M19 VanDerWaalsContact O-N 3.13Å; M19-D21 VanDerWaalsContact C-N 3.3Å; M19-D21 PolarHBondContact O-N 3.46Å; M19-S22 WeakPolarHBondContact O-CA 3.33Å; M19-S22 VanDerWaalsContact O-CB 3.3Å; M19-S22 WeakPolarHBondContact O-CB 3.27Å; M19-S22 PolarHBondContact O-N 3.06Å; M19-I23 PolarHBondContact O-N 3.19Å; M19-I23 VanDerWaalsContact O-N 3.08Å
20W71.6Confident74.7Confident42 Ų4277.5 Ų77.516%0.15938%0.379CS..Hα-helixtrans-56-40.3-175.7-64.8116.7000113.7L11 D15 S18 S22 I23 L24L11-W20 HydrophobicContact CD2-CH2 3.73Å; L11-W20 HydrophobicContact CD2-CZ2 4.43Å; D15-W20 PolarHBondContact OD1-NE1 3.15Å; D15-W20 VanDerWaalsContact OD1-NE1 3.1Å; S18-W20 VanDerWaalsContact C-N 3.26Å; S18-W20 PolarHBondContact O-N 2.88Å; W20-S22 PolarHBondContact O-N 2.86Å; W20-I23 HydrophobicContact CE3-CD1 3.95Å; W20-I23 HydrophobicContact CZ3-CD1 4.12Å; W20-I23 PolarHBondContact O-N 3.21Å; W20-L24 PolarHBondContact O-N 3.08Å
21D74Confident74.6Confident108 Ų10876 Ų7658%0.57837%0.373SS*.Hα-helixtrans-63.3-33.5177-69.5-21.5000111.7M19 K25M19-D21 VanDerWaalsContact C-N 3.3Å; M19-D21 PolarHBondContact O-N 3.46Å; D21-K25 WeakPolarHBondContact O-CB 3.11Å; D21-K25 VanDerWaalsContact O-CG 3.25Å; D21-K25 WeakPolarHBondContact O-CG 3.42Å; D21-K25 PolarHBondContact O-N 3.29Å
22S75.3Confident74.8Confident75 Ų7577.7 Ų77.752%0.52439%0.389SS..Hα-helixtrans-70.8-42.1174.9-173.10000111.6M19 W20 L24 K25 E26M19-S22 WeakPolarHBondContact O-CA 3.33Å; M19-S22 VanDerWaalsContact O-CB 3.3Å; M19-S22 WeakPolarHBondContact O-CB 3.27Å; M19-S22 PolarHBondContact O-N 3.06Å; W20-S22 PolarHBondContact O-N 2.86Å; S22-L24 VanDerWaalsContact C-N 3.26Å; S22-L24 PolarHBondContact O-N 3.36Å; S22-K25 PolarHBondContact O-N 2.91Å; S22-E26 PolarHBondContact O-N 3.12Å
23I71.4Confident74.8Confident20 Ų2077.6 Ų77.610%0.10340%0.396CS..Hα-helixtrans-61.6-40.2177.8-66.1171.5000110Y14 M19 W20 E26 I27 R362Y14-I23 HydrophobicContact CD1-CD1 4Å; Y14-I23 HydrophobicContact CD2-CD1 3.85Å; Y14-I23 HydrophobicContact CE1-CD1 4.28Å; Y14-I23 HydrophobicContact CE2-CD1 4.13Å; Y14-I23 HydrophobicContact CG-CD1 3.79Å; M19-I23 PolarHBondContact O-N 3.19Å; M19-I23 VanDerWaalsContact O-N 3.08Å; W20-I23 HydrophobicContact CE3-CD1 3.95Å; W20-I23 HydrophobicContact CZ3-CD1 4.12Å; W20-I23 PolarHBondContact O-N 3.21Å; I23-E26 WeakPolarHBondContact O-CB 3.23Å; I23-E26 PolarHBondContact O-N 2.88Å; I23-I27 HydrophobicContact CG2-CD1 3.98Å; I23-I27 WeakPolarHBondContact O-CD1 3.47Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.35Å; I23-I27 PolarHBondContact O-N 3.39Å; I23-R362 HydrophobicContact CG2-CB 4.44Å; I23-R362 HydrophobicContact CG2-CG 4.05Å
24L66.6Low74.7Confident19 Ų1975.9 Ų75.910%0.09940%0.398CS..Hα-helixtrans-63.5-50.4174.4-78.8167.7000113.8W20 S22 E26 I27 D28 I358W20-L24 PolarHBondContact O-N 3.08Å; S22-L24 VanDerWaalsContact C-N 3.26Å; S22-L24 PolarHBondContact O-N 3.36Å; L24-E26 PolarHBondContact O-N 3.17Å; L24-E26 VanDerWaalsContact O-N 3.11Å; L24-I27 HydrophobicContact CD2-CD1 4.31Å; L24-I27 WeakPolarHBondContact O-CA 3.37Å; L24-I27 PolarHBondContact O-N 3.45Å; L24-D28 WeakPolarHBondContact O-CB 3.31Å; L24-D28 PolarHBondContact O-N 3.42Å; L24-I358 HydrophobicContact CD1-CB 3.97Å; L24-I358 HydrophobicContact CD1-CD1 3.35Å; L24-I358 HydrophobicContact CD1-CG1 3.32Å; L24-I358 HydrophobicContact CD1-CG2 3.58Å; L24-I358 HydrophobicContact CD2-CB 3.7Å; L24-I358 HydrophobicContact CD2-CG1 3.54Å; L24-I358 HydrophobicContact CD2-CG2 3.51Å; L24-I358 HydrophobicContact CG-CB 4.11Å; L24-I358 HydrophobicContact CG-CD1 4.41Å; L24-I358 HydrophobicContact CG-CG1 3.88Å; L24-I358 HydrophobicContact CG-CG2 3.5Å; L24-I358 VanDerWaalsContact CG-CG2 3.5Å
25K75Confident75.2Confident140 Ų14075 Ų7561%0.60941%0.411SS*.Hα-helixtrans-56.4-30.4175.2-74.3173.3-179-177.90112D21 S22 R29D21-K25 WeakPolarHBondContact O-CB 3.11Å; D21-K25 VanDerWaalsContact O-CG 3.25Å; D21-K25 WeakPolarHBondContact O-CG 3.42Å; D21-K25 PolarHBondContact O-N 3.29Å; S22-K25 PolarHBondContact O-N 2.91Å; K25-R29 WeakPolarHBondContact O-CB 3.1Å; K25-R29 PolarHBondContact O-N 3.29Å
26E75.9Confident75.7Confident73 Ų7373 Ų7334%0.34140%0.4SS..Hα-helixtrans-74.9-38.1173.7-159.3-156.5118.200112.6S22 I23 L24 D30 R362 K365S22-E26 PolarHBondContact O-N 3.12Å; I23-E26 WeakPolarHBondContact O-CB 3.23Å; I23-E26 PolarHBondContact O-N 2.88Å; L24-E26 PolarHBondContact O-N 3.17Å; L24-E26 VanDerWaalsContact O-N 3.11Å; E26-D30 PolarHBondContact O-N 2.84Å; E26-D30 VanDerWaalsContact O-N 3.08Å; E26-D30 VanDerWaalsContact O-OD1 3.09Å; E26-R362 IonicContact OE1-CZ 2.65Å; E26-R362 IonicContact OE1-NH1 3.03Å; E26-R362 PolarHBondContact OE1-NH1 3.45Å; E26-R362 IonicContact OE1-NH2 3.06Å; E26-R362 PolarHBondContact OE1-NH2 2.86Å; E26-R362 IonicContact OE2-NH1 2.9Å; E26-R362 PolarHBondContact OE2-NH1 3.37Å; E26-R362 IonicContact OE2-NH2 3.23Å; E26-K365 PolarHBondContact O-NZ 2.97Å; E26-K365 IonicContact OE1-NZ 3.45Å; E26-K365 PolarHBondContact OE1-NZ 3.48Å
27I69.6Low76.2Confident2 Ų267 Ų671%0.0138%0.378CS..Hα-helixtrans-69-45.3176-60.6149.7000111.1I23 L24 R29 D30 T31 R361 R362 K365I23-I27 HydrophobicContact CG2-CD1 3.98Å; I23-I27 WeakPolarHBondContact O-CD1 3.47Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.35Å; I23-I27 PolarHBondContact O-N 3.39Å; L24-I27 HydrophobicContact CD2-CD1 4.31Å; L24-I27 WeakPolarHBondContact O-CA 3.37Å; L24-I27 PolarHBondContact O-N 3.45Å; I27-R29 VanDerWaalsContact C-N 3.3Å; I27-R29 PolarHBondContact O-N 2.87Å; I27-D30 PolarHBondContact O-N 3.3Å; I27-T31 WeakPolarHBondContact O-CB 3.29Å; I27-T31 PolarHBondContact O-N 3.12Å; I27-T31 PolarHBondContact O-OG1 2.96Å; I27-R361 HydrophobicContact CD1-CB 4.32Å; I27-R361 HydrophobicContact CG2-CB 3.8Å; I27-R362 HydrophobicContact CD1-CB 3.45Å; I27-R362 VanDerWaalsContact CD1-CB 3.45Å; I27-R362 HydrophobicContact CD1-CG 4.05Å; I27-R362 HydrophobicContact CG1-CB 4.17Å; I27-R362 VanDerWaalsContact CG1-CD 3.47Å; I27-R362 HydrophobicContact CG1-CG 4.39Å; I27-K365 HydrophobicContact CB-CD 4.08Å; I27-K365 HydrophobicContact CG1-CD 3.84Å; I27-K365 HydrophobicContact CG2-CB 4.29Å; I27-K365 HydrophobicContact CG2-CD 4.05Å
28D71.4Confident76.8Confident31 Ų3164.5 Ų64.517%0.16637%0.37CS..Hα-helixtrans-61.6-43.6178.2-65.5-31000109.1L24 D30 T31 S32 R361L24-D28 WeakPolarHBondContact O-CB 3.31Å; L24-D28 PolarHBondContact O-N 3.42Å; D28-D30 PolarHBondContact O-N 3.33Å; D28-T31 PolarHBondContact O-N 3.48Å; D28-S32 WeakPolarHBondContact O-CB 3.49Å; D28-S32 PolarHBondContact O-N 3.42Å; D28-S32 PolarHBondContact O-OG 3Å; D28-R361 IonicContact OD1-NH1 3.95Å; D28-R361 PolarHBondContact OD1-NH1 2.89Å
29R76Confident77.5Confident171 Ų17166.2 Ų66.265%0.64537%0.368SS*.Hα-helixtrans-57.5-46.4174-171.2-170.2-40.9-152.43.3113.2K25 I27 T31 S32 S33K25-R29 WeakPolarHBondContact O-CB 3.1Å; K25-R29 PolarHBondContact O-N 3.29Å; I27-R29 VanDerWaalsContact C-N 3.3Å; I27-R29 PolarHBondContact O-N 2.87Å; R29-T31 VanDerWaalsContact C-N 3.33Å; R29-S32 PolarHBondContact O-N 3.13Å; R29-S33 WeakPolarHBondContact O-CB 3.41Å; R29-S33 PolarHBondContact O-N 2.95Å; R29-S33 PolarHBondContact O-OG 3.43Å
30D73.8Confident78.4Confident68 Ų6865.5 Ų65.536%0.36436%0.363SS..Hα-helixtrans-70-34.8180-75.940.5000111.5E26 I27 D28 S33 A34 K365E26-D30 PolarHBondContact O-N 2.84Å; E26-D30 VanDerWaalsContact O-N 3.08Å; E26-D30 VanDerWaalsContact O-OD1 3.09Å; I27-D30 PolarHBondContact O-N 3.3Å; D28-D30 PolarHBondContact O-N 3.33Å; D30-S33 WeakPolarHBondContact CA-OG 3.29Å; D30-S33 PolarHBondContact O-N 3.39Å; D30-S33 PolarHBondContact O-OG 2.88Å; D30-A34 PolarHBondContact O-N 3.22Å; D30-A34 VanDerWaalsContact O-N 3.16Å; D30-K365 HydrophobicContact CB-CD 3.94Å; D30-K365 IonicContact OD1-NZ 3.22Å; D30-K365 PolarHBondContact OD1-NZ 2.92Å; D30-K365 VanDerWaalsContact OD1-NZ 3.13Å; D30-K365 WeakPolarHBondContact OD2-CE 3.42Å; D30-K365 IonicContact OD2-NZ 3.31Å; D30-K365 PolarHBondContact OD2-NZ 3.26Å
31T69.8Low79.6Confident28 Ų2863.5 Ų63.517%0.17236%0.356CS..Hα-helixtrans-66.4-43.4174.4-52.20000110.9I27 D28 R29 S33 A34 Y58I27-T31 WeakPolarHBondContact O-CB 3.29Å; I27-T31 PolarHBondContact O-N 3.12Å; I27-T31 PolarHBondContact O-OG1 2.96Å; D28-T31 PolarHBondContact O-N 3.48Å; R29-T31 VanDerWaalsContact C-N 3.33Å; T31-S33 VanDerWaalsContact C-N 3.29Å; T31-S33 PolarHBondContact O-N 3.3Å; T31-A34 VanDerWaalsContact O-CB 3.31Å; T31-A34 WeakPolarHBondContact O-CB 3.47Å; T31-A34 PolarHBondContact O-N 3.08Å; T31-A34 VanDerWaalsContact O-N 3.14Å; T31-Y58 WeakPolarHBondContact CG2-OH 3.01Å
32S74.5Confident80.7Confident78 Ų7861.5 Ų61.555%0.54535%0.354SS..Hα-helixtrans-63.9-35.4174.3-62.20000111.7D28 R29 A34D28-S32 WeakPolarHBondContact O-CB 3.49Å; D28-S32 PolarHBondContact O-N 3.42Å; D28-S32 PolarHBondContact O-OG 3Å; R29-S32 PolarHBondContact O-N 3.13Å; S32-A34 PolarHBondContact O-N 3.48Å
33S75.9Confident81.7Confident94 Ų9461.5 Ų61.566%0.65735%0.345SS*.Hα-helixtrans-73.3-12.7175.773.60000114.1R29 D30 T31 G35R29-S33 WeakPolarHBondContact O-CB 3.41Å; R29-S33 PolarHBondContact O-N 2.95Å; R29-S33 PolarHBondContact O-OG 3.43Å; D30-S33 WeakPolarHBondContact CA-OG 3.29Å; D30-S33 PolarHBondContact O-N 3.39Å; D30-S33 PolarHBondContact O-OG 2.88Å; T31-S33 VanDerWaalsContact C-N 3.29Å; T31-S33 PolarHBondContact O-N 3.3Å; S33-G35 PolarHBondContact O-N 2.97Å
34A77.3Confident82.9Confident54 Ų5471.5 Ų71.545%0.44638%0.381SS..THydrogen-bonded Turntrans-77-6.6-179.600000113.4D30 T31 S32 L36D30-A34 PolarHBondContact O-N 3.22Å; D30-A34 VanDerWaalsContact O-N 3.16Å; T31-A34 VanDerWaalsContact O-CB 3.31Å; T31-A34 WeakPolarHBondContact O-CB 3.47Å; T31-A34 PolarHBondContact O-N 3.08Å; T31-A34 VanDerWaalsContact O-N 3.14Å; S32-A34 PolarHBondContact O-N 3.48Å; A34-L36 HydrophobicContact CB-CD1 4.3Å; A34-L36 HydrophobicContact CB-CG 3.99Å; A34-L36 PolarHBondContact O-N 2.86Å
35G83.5Confident84.4Confident56 Ų5677.3 Ų77.358%0.57741%0.408SS*.THydrogen-bonded Turntrans64.727.1178.300000113.9S33S33-G35 PolarHBondContact O-N 2.97Å
36L86.6Confident85.4Confident37 Ų3771.1 Ų71.119%0.19438%0.382CS..  trans-78139.1178.6-59.6176.2000110.9A34 Y58 Q60 I370A34-L36 HydrophobicContact CB-CD1 4.3Å; A34-L36 HydrophobicContact CB-CG 3.99Å; A34-L36 PolarHBondContact O-N 2.86Å; L36-Y58 HydrophobicContact CB-CD1 3.62Å; L36-Y58 HydrophobicContact CB-CE1 3.64Å; L36-Y58 HydrophobicContact CB-CG 4.13Å; L36-Y58 HydrophobicContact CD1-CD1 4.35Å; L36-Y58 HydrophobicContact CD1-CD2 3.87Å; L36-Y58 HydrophobicContact CD1-CE1 4.22Å; L36-Y58 HydrophobicContact CD1-CE2 3.63Å; L36-Y58 HydrophobicContact CD1-CG 4.2Å; L36-Q60 HydrophobicContact CD2-CB 4.02Å; L36-Q60 HydrophobicContact CD2-CG 3.83Å; L36-I370 HydrophobicContact CD1-CG2 3.89Å; L36-I370 HydrophobicContact CD2-CG2 3.81Å; L36-I370 HydrophobicContact CG-CG2 4.38Å
37T91.5Very high86.4Confident46 Ų4670.2 Ų70.228%0.28238%0.384SS..  trans-121.2158.9-177.359.20000110.6Y58 D59 Q60T37-Y58 CarbonylContact O-C 3.59Å; T37-Y58 WeakPolarHBondContact O-CA 3.33Å; T37-Y58 WeakPolarHBondContact O-CD1 3.34Å; T37-D59 WeakPolarHBondContact CB-OD2 3.38Å; T37-D59 PolarHBondContact O-N 3.27Å; T37-D59 PolarHBondContact OG1-OD2 2.77Å; T37-Q60 VanDerWaalsContact N-OE1 3.07Å; T37-Q60 PolarHBondContact O-OE1 3.18Å; T37-Q60 PolarHBondContact OG1-NE2 3.49Å
38V93.6Very high87.7Confident51 Ų5176.9 Ų76.931%0.30942%0.419SS..  trans-129.427179.3-63.40000111.2E40 G41 A42 L56 Y58 D59V38-E40 PolarHBondContact O-N 3.37Å; V38-G41 PolarHBondContact O-N 2.83Å; V38-A42 WeakPolarHBondContact O-CB 3.19Å; V38-A42 PolarHBondContact O-N 2.8Å; V38-L56 HydrophobicContact CB-CB 3.94Å; V38-L56 HydrophobicContact CB-CD1 4.3Å; V38-L56 HydrophobicContact CG1-CB 4.23Å; V38-L56 HydrophobicContact CG2-CB 4.49Å; V38-L56 HydrophobicContact CG2-CD1 4.11Å; V38-Y58 HydrophobicContact CG1-CD1 3.53Å; V38-Y58 HydrophobicContact CG1-CE1 3.82Å; V38-D59 PolarHBondContact N-OD2 3.21Å
39E96.2Very high88.9Confident131 Ų13177.4 Ų77.461%0.61242%0.422SS*.Hα-helixtrans-60.9-43.2-170.7-68177.1-175.800111.6G41 A42 K43 D59E39-G41 PolarHBondContact O-N 3.22Å; E39-A42 PolarHBondContact O-N 3.25Å; E39-A42 VanDerWaalsContact O-N 3.15Å; E39-K43 PolarHBondContact O-N 3.27Å; E39-D59 WeakPolarHBondContact CB-OD2 3.5Å; E39-D59 PolarHBondContact N-OD1 2.89Å; E39-D59 PolarHBondContact N-OD2 3.1Å
40E96.5Very high89.9Confident51 Ų5170 Ų7024%0.23840%0.395CS..Hα-helixtrans-64.8-42.5179.7-69.4-69.1146.700111.1V38 A42 K43 N46 D59 R62V38-E40 PolarHBondContact O-N 3.37Å; E40-A42 VanDerWaalsContact C-N 3.25Å; E40-A42 PolarHBondContact O-N 3.44Å; E40-K43 PolarHBondContact O-N 3.09Å; E40-K43 VanDerWaalsContact OE1-CE 3.27Å; E40-K43 WeakPolarHBondContact OE1-CE 3.29Å; E40-K43 IonicContact OE1-NZ 2.94Å; E40-K43 PolarHBondContact OE1-NZ 2.9Å; E40-K43 WeakPolarHBondContact OE2-CE 3.25Å; E40-K43 IonicContact OE2-NZ 2.82Å; E40-K43 PolarHBondContact OE2-NZ 3.16Å; E40-N46 PolarHBondContact O-ND2 3.29Å; E40-D59 VanDerWaalsContact CB-OD1 3.26Å; E40-D59 WeakPolarHBondContact CB-OD1 3.43Å; E40-D59 PolarHBondContact N-OD1 2.93Å; E40-R62 IonicContact OE2-NH2 2.71Å
41G96.7Very high90.9Very high1 Ų168.8 Ų68.81%0.0139%0.385CS..Hα-helixtrans-67.7-25.6175.700000114V38 E39 N50 L56 Y70V38-G41 PolarHBondContact O-N 2.83Å; E39-G41 PolarHBondContact O-N 3.22Å; G41-N50 PolarHBondContact O-ND2 2.84Å; G41-L56 WeakPolarHBondContact O-CD2 3.38Å; G41-Y70 VanDerWaalsContact CA-CE2 3.47Å; G41-Y70 VanDerWaalsContact CA-OH 3.24Å; G41-Y70 WeakPolarHBondContact CA-OH 3.4Å
42A96.7Very high92.1Very high65 Ų6571.6 Ų71.654%0.53739%0.393SS..Hα-helixtrans-84.5-11.1179.700000113.7V38 E39 E40 L56V38-A42 WeakPolarHBondContact O-CB 3.19Å; V38-A42 PolarHBondContact O-N 2.8Å; E39-A42 PolarHBondContact O-N 3.25Å; E39-A42 VanDerWaalsContact O-N 3.15Å; E40-A42 VanDerWaalsContact C-N 3.25Å; E40-A42 PolarHBondContact O-N 3.44Å; A42-L56 HydrophobicContact CB-CD1 3.98Å
43K97.8Very high92.9Very high76 Ų7679 Ų7933%0.3341%0.409SS..SBendtrans-58141.2177.2-69.7-179.4179.3170.80111.5E39 E40 E45 N46 S47E39-K43 PolarHBondContact O-N 3.27Å; E40-K43 PolarHBondContact O-N 3.09Å; E40-K43 VanDerWaalsContact OE1-CE 3.27Å; E40-K43 WeakPolarHBondContact OE1-CE 3.29Å; E40-K43 IonicContact OE1-NZ 2.94Å; E40-K43 PolarHBondContact OE1-NZ 2.9Å; E40-K43 WeakPolarHBondContact OE2-CE 3.25Å; E40-K43 IonicContact OE2-NZ 2.82Å; E40-K43 PolarHBondContact OE2-NZ 3.16Å; K43-E45 VanDerWaalsContact C-N 3.28Å; K43-E45 HydrophobicContact CB-CG 4.08Å; K43-E45 PolarHBondContact O-N 3.46Å; K43-N46 HydrophobicContact CB-CB 4.48Å; K43-N46 PolarHBondContact O-N 3.32Å; K43-S47 PolarHBondContact O-N 3.47Å
44R96.9Very high93.4Very high229 Ų22979.8 Ų79.886%0.86441%0.406SS*.G310 helixtrans-57.2-41-179.5-175.8177.8175-178.8-2112.3N46 S47R44-N46 VanDerWaalsContact C-N 3.27Å; R44-N46 PolarHBondContact O-N 2.91Å; R44-S47 WeakPolarHBondContact O-CB 3.3Å; R44-S47 PolarHBondContact O-N 3.39Å; R44-S47 PolarHBondContact O-OG 3.47Å
45E96.5Very high94Very high142 Ų14277.7 Ų77.766%0.66439%0.388SS*.G310 helixtrans-64.4-26.8177.864.6-148.8-155.100114.1K43K43-E45 VanDerWaalsContact C-N 3.28Å; K43-E45 HydrophobicContact CB-CG 4.08Å; K43-E45 PolarHBondContact O-N 3.46Å
46N97.5Very high94.6Very high10 Ų1076.5 Ų76.55%0.05337%0.368CS..G310 helixtrans-92.8-4.8179.1-68-29.6000113.2E40 K43 R44 D48 L49 N50 Y70E40-N46 PolarHBondContact O-ND2 3.29Å; K43-N46 HydrophobicContact CB-CB 4.48Å; K43-N46 PolarHBondContact O-N 3.32Å; R44-N46 VanDerWaalsContact C-N 3.27Å; R44-N46 PolarHBondContact O-N 2.91Å; N46-D48 VanDerWaalsContact C-N 3.35Å; N46-D48 PolarHBondContact O-N 3.43Å; N46-L49 WeakPolarHBondContact O-CB 3.25Å; N46-L49 PolarHBondContact O-N 3.49Å; N46-N50 PolarHBondContact O-ND2 3.32Å; N46-Y70 HydrophobicContact CB-CD1 3.79Å; N46-Y70 HydrophobicContact CB-CD2 4.22Å; N46-Y70 HydrophobicContact CB-CE1 3.79Å; N46-Y70 HydrophobicContact CB-CE2 4.25Å; N46-Y70 HydrophobicContact CB-CG 4Å; N46-Y70 WeakPolarHBondContact ND2-CD2 3.47Å; N46-Y70 WeakPolarHBondContact OD1-CB 3.36Å
47S96.1Very high95Very high54 Ų5474.7 Ų74.738%0.37836%0.359SS..G310 helixtrans-61.4-38.8-171.564.40000113.6K43 R44 L49 N50K43-S47 PolarHBondContact O-N 3.47Å; R44-S47 WeakPolarHBondContact O-CB 3.3Å; R44-S47 PolarHBondContact O-N 3.39Å; R44-S47 PolarHBondContact O-OG 3.47Å; S47-L49 VanDerWaalsContact C-N 3.28Å; S47-L49 PolarHBondContact O-N 2.9Å; S47-N50 PolarHBondContact O-N 3.36Å
48D96.5Very high94.9Very high142 Ų14273.1 Ų73.176%0.75935%0.348SS*.G310 helixtrans-78.5-11.6178-67.1-34.9000113.3N46 N50N46-D48 VanDerWaalsContact C-N 3.35Å; N46-D48 PolarHBondContact O-N 3.43Å; D48-N50 VanDerWaalsContact C-N 3.28Å
49L97.5Very high94.8Very high41 Ų4172.2 Ų72.222%0.21534%0.341CS..G310 helixtrans-84.2-6.6174.4-52.6178.9000111.8N46 S47 Y70 Q89 T95N46-L49 WeakPolarHBondContact O-CB 3.25Å; N46-L49 PolarHBondContact O-N 3.49Å; S47-L49 VanDerWaalsContact C-N 3.28Å; S47-L49 PolarHBondContact O-N 2.9Å; L49-Y70 HydrophobicContact CB-CD1 3.9Å; L49-Y70 HydrophobicContact CB-CE1 3.86Å; L49-Y70 HydrophobicContact CD1-CD1 3.66Å; L49-Y70 HydrophobicContact CD1-CE1 4.45Å; L49-Y70 HydrophobicContact CG-CD1 4.42Å; L49-Q89 PolarHBondContact O-NE2 3.49Å; L49-T95 HydrophobicContact CB-CG2 4.14Å; L49-T95 HydrophobicContact CD2-CG2 3.78Å
50N97.4Very high94.7Very high15 Ų1570.5 Ų70.58%0.0833%0.333CS..  trans-103.1126.1179.8-65.5-43.3000111.7G41 N46 S47 D48 Y52 L56 Y70 N72G41-N50 PolarHBondContact O-ND2 2.84Å; N46-N50 PolarHBondContact O-ND2 3.32Å; S47-N50 PolarHBondContact O-N 3.36Å; D48-N50 VanDerWaalsContact C-N 3.28Å; N50-Y52 VanDerWaalsContact C-N 3.28Å; N50-Y52 PolarHBondContact O-N 3.4Å; N50-L56 HydrophobicContact CB-CD2 4.34Å; N50-L56 WeakPolarHBondContact ND2-CD2 3.23Å; N50-Y70 PolarHBondContact ND2-OH 3.21Å; N50-Y70 PolarHBondContact OD1-OH 2.88Å; N50-N72 WeakPolarHBondContact OD1-CB 3.29Å; N50-N72 PolarHBondContact OD1-ND2 3.44Å
51R94.9Very high94.5Very high43 Ų4369.7 Ų69.716%0.16233%0.331CS..SBendtrans-64.5-35.2176.6179.6177.8-73-76.5-5.8112.2Q89 G90 P91 L92 A123 M124 S188R51-Q89 HydrophobicContact CB-CB 4.46Å; R51-Q89 VanDerWaalsContact CB-OE1 3.29Å; R51-G90 VanDerWaalsContact CZ-O 3.31Å; R51-G90 PolarHBondContact NE-O 2.97Å; R51-G90 PolarHBondContact NH2-O 3.06Å; R51-P91 PolarHBondContact NH2-O 2.73Å; R51-L92 HydrophobicContact CB-CD2 3.96Å; R51-L92 HydrophobicContact CB-CG 4.43Å; R51-L92 HydrophobicContact CG-CD2 4.09Å; R51-A123 PolarHBondContact NH1-O 3.35Å; R51-M124 PolarHBondContact NE-O 2.65Å; R51-M124 PolarHBondContact NH1-O 2.79Å; R51-M124 PolarHBondContact NH2-O 3.38Å; R51-S188 VanDerWaalsContact CD-O 3.3Å; R51-S188 WeakPolarHBondContact CD-O 3.35Å; R51-S188 PolarHBondContact NE-O 3.35Å
52Y93.6Very high94.5Very high88 Ų8871.5 Ų71.535%0.34534%0.338SS..SBendtrans-133.6128.5178.9-58.9-75000110N50 N54 V55 S188 A189N50-Y52 VanDerWaalsContact C-N 3.28Å; N50-Y52 PolarHBondContact O-N 3.4Å; Y52-N54 PolarHBondContact O-N 2.71Å; Y52-N54 VanDerWaalsContact O-N 3.11Å; Y52-V55 HydrophobicContact CD2-CG2 4.35Å; Y52-V55 HydrophobicContact CG-CG2 4.36Å; Y52-V55 PolarHBondContact O-N 2.98Å; Y52-S188 PolarHBondContact OH-OG 3.05Å; Y52-S188 VanDerWaalsContact OH-OG 3.11Å; Y52-A189 HydrophobicContact CD2-CB 3.61Å; Y52-A189 HydrophobicContact CE2-CB 3.51Å
53R91.8Very high94.5Very high234 Ų23468.4 Ų68.488%0.88331%0.312SS*.THydrogen-bonded Turntrans-58.8-25.3180-66.7-176.9178174.9-1.4114
54N87.3Confident94.5Very high109 Ų10968.7 Ų68.758%0.58332%0.32SS*.THydrogen-bonded Turntrans-102.611.7-178.970.4-40.6000113.6Y52Y52-N54 PolarHBondContact O-N 2.71Å; Y52-N54 VanDerWaalsContact O-N 3.11Å
55V90.1Very high94.4Very high11 Ų1158 Ų587%0.06728%0.28CS..  trans-127.988.7177.6-174.50000107.6Y52 N72 A189 V191 W372Y52-V55 HydrophobicContact CD2-CG2 4.35Å; Y52-V55 HydrophobicContact CG-CG2 4.36Å; Y52-V55 PolarHBondContact O-N 2.98Å; V55-N72 PolarHBondContact O-ND2 3.38Å; V55-A189 HydrophobicContact CG1-CB 4.37Å; V55-A189 HydrophobicContact CG2-CB 4.47Å; V55-V191 HydrophobicContact CG1-CG1 3.48Å; V55-V191 VanDerWaalsContact CG1-CG1 3.48Å; V55-V191 HydrophobicContact CG1-CG2 4.23Å; V55-W372 HydrophobicContact CG1-CH2 3.76Å; V55-W372 HydrophobicContact CG1-CZ3 3.52Å
56L94.5Very high94Very high30 Ų3054.3 Ų54.316%0.15727%0.268CS..  trans-111.4147.7-175.9-56.9-178.5000110.2V38 G41 A42 N50 W372V38-L56 HydrophobicContact CB-CB 3.94Å; V38-L56 HydrophobicContact CB-CD1 4.3Å; V38-L56 HydrophobicContact CG1-CB 4.23Å; V38-L56 HydrophobicContact CG2-CB 4.49Å; V38-L56 HydrophobicContact CG2-CD1 4.11Å; G41-L56 WeakPolarHBondContact O-CD2 3.38Å; A42-L56 HydrophobicContact CB-CD1 3.98Å; N50-L56 HydrophobicContact CB-CD2 4.34Å; N50-L56 WeakPolarHBondContact ND2-CD2 3.23Å; L56-W372 WeakPolarHBondContact O-CZ3 3.48Å
57P95.1Very high93.4Very high0 Ų062 Ų620%030%0.304CS..  trans-72.4149.217634-36.7000110.3R62 Y70 N74P57-R62 HydrophobicContact CB-CB 4.11Å; P57-Y70 WeakPolarHBondContact CD-OH 3.21Å; P57-Y70 HydrophobicContact CG-CE2 3.86Å; P57-Y70 WeakPolarHBondContact CG-OH 3.41Å; P57-N74 WeakPolarHBondContact CA-OD1 3.11Å; P57-N74 WeakPolarHBondContact CB-OD1 3.42Å
58Y89.8Confident92.8Very high13 Ų1361.9 Ų61.95%0.05130%0.303CS..  trans-75.2135.1170.5-73.4-55000111.9T31 L36 T37 V38 Q60 T61 R62 N74 G373T31-Y58 WeakPolarHBondContact CG2-OH 3.01Å; L36-Y58 HydrophobicContact CB-CD1 3.62Å; L36-Y58 HydrophobicContact CB-CE1 3.64Å; L36-Y58 HydrophobicContact CB-CG 4.13Å; L36-Y58 HydrophobicContact CD1-CD1 4.35Å; L36-Y58 HydrophobicContact CD1-CD2 3.87Å; L36-Y58 HydrophobicContact CD1-CE1 4.22Å; L36-Y58 HydrophobicContact CD1-CE2 3.63Å; L36-Y58 HydrophobicContact CD1-CG 4.2Å; T37-Y58 CarbonylContact O-C 3.59Å; T37-Y58 WeakPolarHBondContact O-CA 3.33Å; T37-Y58 WeakPolarHBondContact O-CD1 3.34Å; V38-Y58 HydrophobicContact CG1-CD1 3.53Å; V38-Y58 HydrophobicContact CG1-CE1 3.82Å; Y58-Q60 PolarHBondContact O-N 3.04Å; Y58-T61 PolarHBondContact O-N 2.9Å; Y58-R62 VanDerWaalsContact O-CB 3.29Å; Y58-R62 WeakPolarHBondContact O-CB 3.04Å; Y58-R62 PolarHBondContact O-N 3.35Å; Y58-N74 PolarHBondContact N-ND2 3.48Å; Y58-N74 VanDerWaalsContact N-ND2 3.19Å; Y58-N74 PolarHBondContact N-OD1 2.94Å; Y58-N74 PolarHBondContact O-ND2 2.96Å; Y58-G373 PolarHBondContact OH-N 2.76Å
59D92.5Very high92.6Very high32 Ų3256.3 Ų56.317%0.17128%0.28CS..THydrogen-bonded Turntrans-60.6-33.5-177.2-58.9-36.7000112.1T37 V38 E39 E40 T61T37-D59 WeakPolarHBondContact CB-OD2 3.38Å; T37-D59 PolarHBondContact O-N 3.27Å; T37-D59 PolarHBondContact OG1-OD2 2.77Å; V38-D59 PolarHBondContact N-OD2 3.21Å; E39-D59 WeakPolarHBondContact CB-OD2 3.5Å; E39-D59 PolarHBondContact N-OD1 2.89Å; E39-D59 PolarHBondContact N-OD2 3.1Å; E40-D59 VanDerWaalsContact CB-OD1 3.26Å; E40-D59 WeakPolarHBondContact CB-OD1 3.43Å; E40-D59 PolarHBondContact N-OD1 2.93Å; D59-T61 VanDerWaalsContact C-N 3.32Å; D59-T61 PolarHBondContact O-N 3.03Å
60Q92.8Very high92.6Very high94 Ų9454.4 Ų54.444%0.43927%0.27SS..THydrogen-bonded Turntrans-70.3-26.7-174-66.370.73000113.3L36 T37 Y58L36-Q60 HydrophobicContact CD2-CB 4.02Å; L36-Q60 HydrophobicContact CD2-CG 3.83Å; T37-Q60 VanDerWaalsContact N-OE1 3.07Å; T37-Q60 PolarHBondContact O-OE1 3.18Å; T37-Q60 PolarHBondContact OG1-NE2 3.49Å; Y58-Q60 PolarHBondContact O-N 3.04Å
61T93Very high92.7Very high34 Ų3454.1 Ų54.121%0.20927%0.268CS..THydrogen-bonded Turntrans-131.110.7-175.464.10000112.6Y58 D59 N74 Y75Y58-T61 PolarHBondContact O-N 2.9Å; D59-T61 VanDerWaalsContact C-N 3.32Å; D59-T61 PolarHBondContact O-N 3.03Å; T61-N74 CarbonylContact O-C 3.52Å; T61-N74 WeakPolarHBondContact O-CA 3.38Å; T61-N74 PolarHBondContact O-ND2 3.13Å; T61-N74 PolarHBondContact OG1-ND2 3.34Å; T61-Y75 WeakPolarHBondContact O-CD2 3.36Å; T61-Y75 PolarHBondContact O-N 3.11Å
62R96.2Very high92.8Very high40 Ų4052.1 Ų52.115%0.15126%0.26CS..BIsolated β-bridgetrans-66.4150179.666.5-176.2-178.687.5-3.9110.6E40 P57 Y58 V64 G69 A73 N74E40-R62 IonicContact OE2-NH2 2.71Å; P57-R62 HydrophobicContact CB-CB 4.11Å; Y58-R62 VanDerWaalsContact O-CB 3.29Å; Y58-R62 WeakPolarHBondContact O-CB 3.04Å; Y58-R62 PolarHBondContact O-N 3.35Å; R62-V64 HydrophobicContact CG-CG2 4.47Å; R62-G69 PolarHBondContact NH1-O 3.43Å; R62-A73 CarbonylContact C-O 3.57Å; R62-A73 WeakPolarHBondContact CA-O 3.47Å; R62-N74 WeakPolarHBondContact CA-ND2 3.36Å; R62-N74 PolarHBondContact N-ND2 3.48Å; R62-N74 VanDerWaalsContact N-ND2 3.19Å
63V97.5Very high93.1Very high0 Ų047.9 Ų47.90%024%0.244CC..  trans-75.8133.2167.2-1780000108.2I71 A73 Y75 I86 M102 E106V63-I71 HydrophobicContact CB-CG2 3.94Å; V63-I71 HydrophobicContact CG1-CG2 4.21Å; V63-A73 HydrophobicContact CB-CB 4.23Å; V63-A73 HydrophobicContact CG2-CB 4.01Å; V63-A73 PolarHBondContact N-O 3.41Å; V63-Y75 HydrophobicContact CB-CE2 4.17Å; V63-Y75 HydrophobicContact CG2-CD1 4.41Å; V63-Y75 HydrophobicContact CG2-CD2 4.02Å; V63-Y75 HydrophobicContact CG2-CE1 4.08Å; V63-Y75 HydrophobicContact CG2-CE2 3.65Å; V63-Y75 HydrophobicContact CG2-CG 4.39Å; V63-I86 HydrophobicContact CG2-CD1 3.92Å; V63-I86 HydrophobicContact CG2-CG1 4.07Å; V63-I86 HydrophobicContact CG2-CG2 4.06Å; V63-M102 HydrophobicContact CB-SD 4.39Å; V63-M102 HydrophobicContact CG1-CG 3.88Å; V63-M102 HydrophobicContact CG1-SD 4.34Å; V63-M102 HydrophobicContact CG2-SD 4.24Å; V63-E106 HydrophobicContact CG1-CG 4.09Å
64V97.1Very high93.2Very high81 Ų8136.8 Ų36.849%0.49120%0.202SC..  trans-106.1111.8179.7-171.60000108.1R62R62-V64 HydrophobicContact CG-CG2 4.47Å
65L94.3Very high93.6Very high5 Ų534.7 Ų34.73%0.02619%0.186CC..  trans-76.5145.3176.8-70.3-172.8000111.8S68 G69 I71 D98 K101 M102L65-S68 WeakPolarHBondContact CB-OG 3.3Å; L65-G69 WeakPolarHBondContact O-CA 3.4Å; L65-G69 PolarHBondContact O-N 3.45Å; L65-I71 HydrophobicContact CD1-CB 3.81Å; L65-I71 HydrophobicContact CD1-CD1 4.37Å; L65-I71 HydrophobicContact CD1-CG2 4.18Å; L65-I71 HydrophobicContact CD2-CG2 4.22Å; L65-I71 HydrophobicContact CG-CB 3.97Å; L65-I71 HydrophobicContact CG-CG2 3.79Å; L65-D98 HydrophobicContact CD1-CB 3.54Å; L65-K101 HydrophobicContact CD2-CB 4.46Å; L65-K101 HydrophobicContact CD2-CG 4.44Å; L65-M102 HydrophobicContact CD2-CB 3.86Å
66P88.3Confident93.5Very high64 Ų6434.4 Ų34.442%0.41619%0.185SC..THydrogen-bonded Turntrans-61.5141.7165.8-22.134.6000110.9S68 N105P66-S68 PolarHBondContact O-N 2.7Å; P66-N105 WeakPolarHBondContact CD-ND2 3.44Å; P66-N105 WeakPolarHBondContact CG-ND2 3.49Å
67E84.7Confident93.1Very high173 Ų17336.7 Ų36.781%0.80820%0.2SC*.THydrogen-bonded Turntrans69-60.7-179.7-49.4158166.200113.9G69 K101E67-G69 VanDerWaalsContact C-N 3.31Å; E67-G69 PolarHBondContact O-N 2.84Å; E67-K101 IonicContact OE2-NZ 3.69Å; E67-K101 PolarHBondContact OE2-NZ 3.39Å
68S83.9Confident92.1Very high50 Ų5036.9 Ų36.935%0.3520%0.201SC..THydrogen-bonded Turntrans-75.4-21-177.759.10000112.9L65 P66 Y70L65-S68 WeakPolarHBondContact CB-OG 3.3Å; P66-S68 PolarHBondContact O-N 2.7Å; S68-Y70 PolarHBondContact O-N 2.91Å
69G92.2Very high91.2Very high26 Ų2640.6 Ų40.627%0.26823%0.229SC..  trans69.5-10.717600000115.2R62 L65 E67R62-G69 PolarHBondContact NH1-O 3.43Å; L65-G69 WeakPolarHBondContact O-CA 3.4Å; L65-G69 PolarHBondContact O-N 3.45Å; E67-G69 VanDerWaalsContact C-N 3.31Å; E67-G69 PolarHBondContact O-N 2.84Å
70Y98.1Very high90.1Very high1 Ų143.1 Ų43.10%0.00426%0.262CS..  trans-141.4135.2-168.1-172.7-97.3000113.8G41 N46 L49 N50 P57 S68G41-Y70 VanDerWaalsContact CA-CE2 3.47Å; G41-Y70 VanDerWaalsContact CA-OH 3.24Å; G41-Y70 WeakPolarHBondContact CA-OH 3.4Å; N46-Y70 HydrophobicContact CB-CD1 3.79Å; N46-Y70 HydrophobicContact CB-CD2 4.22Å; N46-Y70 HydrophobicContact CB-CE1 3.79Å; N46-Y70 HydrophobicContact CB-CE2 4.25Å; N46-Y70 HydrophobicContact CB-CG 4Å; N46-Y70 WeakPolarHBondContact ND2-CD2 3.47Å; N46-Y70 WeakPolarHBondContact OD1-CB 3.36Å; L49-Y70 HydrophobicContact CB-CD1 3.9Å; L49-Y70 HydrophobicContact CB-CE1 3.86Å; L49-Y70 HydrophobicContact CD1-CD1 3.66Å; L49-Y70 HydrophobicContact CD1-CE1 4.45Å; L49-Y70 HydrophobicContact CG-CD1 4.42Å; N50-Y70 PolarHBondContact ND2-OH 3.21Å; N50-Y70 PolarHBondContact OD1-OH 2.88Å; P57-Y70 WeakPolarHBondContact CD-OH 3.21Å; P57-Y70 HydrophobicContact CG-CE2 3.86Å; P57-Y70 WeakPolarHBondContact CG-OH 3.41Å; S68-Y70 PolarHBondContact O-N 2.91Å
71I98.4Very high89.2Confident8 Ų840.3 Ų40.34%0.04125%0.251CS..  trans-149.2145.5159.5-175.2167.9000107.8V63 L65 A73 D98 M102V63-I71 HydrophobicContact CB-CG2 3.94Å; V63-I71 HydrophobicContact CG1-CG2 4.21Å; L65-I71 HydrophobicContact CD1-CB 3.81Å; L65-I71 HydrophobicContact CD1-CD1 4.37Å; L65-I71 HydrophobicContact CD1-CG2 4.18Å; L65-I71 HydrophobicContact CD2-CG2 4.22Å; L65-I71 HydrophobicContact CG-CB 3.97Å; L65-I71 HydrophobicContact CG-CG2 3.79Å; I71-A73 HydrophobicContact CG1-CB 4.46Å; I71-A73 HydrophobicContact CG2-CB 4.06Å; I71-A73 PolarHBondContact O-N 3.13Å; I71-D98 HydrophobicContact CD1-CB 4.25Å; I71-M102 HydrophobicContact CD1-CB 4.05Å; I71-M102 HydrophobicContact CD1-CE 4.47Å; I71-M102 HydrophobicContact CD1-SD 3.91Å; I71-M102 HydrophobicContact CG2-SD 4.3Å
72N98.2Very high88.6Confident1 Ų143.9 Ų43.91%0.00527%0.269CS..SBendtrans-75.979.3173.6-168-37.3000110.5N50 V55 T88 Q89N50-N72 WeakPolarHBondContact OD1-CB 3.29Å; N50-N72 PolarHBondContact OD1-ND2 3.44Å; V55-N72 PolarHBondContact O-ND2 3.38Å; N72-T88 PolarHBondContact O-OG1 3.36Å; N72-Q89 HydrophobicContact CB-CG 4.14Å; N72-Q89 PolarHBondContact O-N 3.11Å
73A98.4Very high88.1Confident0 Ų042.2 Ų42.20%026%0.263CS..EExtended strand (participates in β ladder)trans-151.6147178.700000110.5R62 V63 I71 I86 L87 M102R62-A73 CarbonylContact C-O 3.57Å; R62-A73 WeakPolarHBondContact CA-O 3.47Å; V63-A73 HydrophobicContact CB-CB 4.23Å; V63-A73 HydrophobicContact CG2-CB 4.01Å; V63-A73 PolarHBondContact N-O 3.41Å; I71-A73 HydrophobicContact CG1-CB 4.46Å; I71-A73 HydrophobicContact CG2-CB 4.06Å; I71-A73 PolarHBondContact O-N 3.13Å; A73-I86 HydrophobicContact CB-CG2 3.88Å; A73-L87 CarbonylContact C-O 3.59Å; A73-L87 WeakPolarHBondContact CA-O 3.48Å; A73-M102 HydrophobicContact CB-SD 3.64Å
74N95.1Very high87.8Confident0 Ų045.3 Ų45.30%028%0.28CS..EExtended strand (participates in β ladder)trans-128.7140.4175-72.198.9000111.1P57 Y58 T61 R62 I86 L87 W372P57-N74 WeakPolarHBondContact CA-OD1 3.11Å; P57-N74 WeakPolarHBondContact CB-OD1 3.42Å; Y58-N74 PolarHBondContact N-ND2 3.48Å; Y58-N74 VanDerWaalsContact N-ND2 3.19Å; Y58-N74 PolarHBondContact N-OD1 2.94Å; Y58-N74 PolarHBondContact O-ND2 2.96Å; T61-N74 CarbonylContact O-C 3.52Å; T61-N74 WeakPolarHBondContact O-CA 3.38Å; T61-N74 PolarHBondContact O-ND2 3.13Å; T61-N74 PolarHBondContact OG1-ND2 3.34Å; R62-N74 WeakPolarHBondContact CA-ND2 3.36Å; R62-N74 PolarHBondContact N-ND2 3.48Å; R62-N74 VanDerWaalsContact N-ND2 3.19Å; N74-I86 WeakPolarHBondContact O-CA 3.3Å; N74-L87 PolarHBondContact N-O 3.48Å; N74-L87 PolarHBondContact O-N 2.88Å; N74-W372 WeakPolarHBondContact OD1-CZ2 3.39Å
75Y94.9Very high87.7Confident66 Ų6641.5 Ų41.526%0.25926%0.257SS..EExtended strand (participates in β ladder)trans-65.7135.3162.1-59.1-82.5000109.5T61 V63 L85 I86 E106 P182T61-Y75 WeakPolarHBondContact O-CD2 3.36Å; T61-Y75 PolarHBondContact O-N 3.11Å; V63-Y75 HydrophobicContact CB-CE2 4.17Å; V63-Y75 HydrophobicContact CG2-CD1 4.41Å; V63-Y75 HydrophobicContact CG2-CD2 4.02Å; V63-Y75 HydrophobicContact CG2-CE1 4.08Å; V63-Y75 HydrophobicContact CG2-CE2 3.65Å; V63-Y75 HydrophobicContact CG2-CG 4.39Å; Y75-L85 CarbonylContact C-O 3.6Å; Y75-L85 WeakPolarHBondContact CA-O 3.39Å; Y75-I86 HydrophobicContact CD1-CD1 4.2Å; Y75-I86 HydrophobicContact CD1-CG1 3.74Å; Y75-I86 HydrophobicContact CE1-CD1 3.88Å; Y75-I86 HydrophobicContact CE1-CG1 3.96Å; Y75-E106 WeakPolarHBondContact CE1-OE2 3.43Å; Y75-E106 PolarHBondContact OH-OE1 2.88Å; Y75-E106 VanDerWaalsContact OH-OE1 3.12Å; Y75-E106 PolarHBondContact OH-OE2 3.39Å; Y75-P182 HydrophobicContact CE1-CG 4.41Å
76V88.5Confident87.9Confident5 Ų541.3 Ų41.33%0.0326%0.255CS..EExtended strand (participates in β ladder)trans-130.6100.9179.7174.50000107.7L85 L87 A198 F369V76-L85 HydrophobicContact CB-CB 4.32Å; V76-L85 PolarHBondContact N-O 3Å; V76-L85 PolarHBondContact O-N 3.4Å; V76-L85 VanDerWaalsContact O-N 3.17Å; V76-L87 HydrophobicContact CB-CD1 4.46Å; V76-L87 HydrophobicContact CB-CG 4.08Å; V76-L87 HydrophobicContact CG1-CD1 4.48Å; V76-L87 HydrophobicContact CG2-CB 4.16Å; V76-L87 HydrophobicContact CG2-CD1 3.82Å; V76-L87 HydrophobicContact CG2-CG 3.59Å; V76-A198 HydrophobicContact CG1-CB 4.19Å; V76-F369 HydrophobicContact CG1-CD1 3.52Å; V76-F369 HydrophobicContact CG1-CE1 3.56Å
77T85.8Confident88.3Confident78 Ų7838.3 Ų38.348%0.47924%0.236SC..EExtended strand (participates in β ladder)trans-115.7156.7179.862.50000110.3L83 F369T77-L83 WeakPolarHBondContact CA-O 3.37Å; T77-F369 WeakPolarHBondContact O-CD1 3.32Å
78L75.3Confident89Confident4 Ų430.2 Ų30.22%0.02120%0.199CC..  trans-125.2113.1178.1171.958.2000110.5G80 T81 L83 M206 A367 F369L78-G80 PolarHBondContact O-N 3.4Å; L78-T81 VanDerWaalsContact CB-OG1 3.27Å; L78-T81 WeakPolarHBondContact CB-OG1 3.43Å; L78-T81 HydrophobicContact CD2-CG2 3.72Å; L78-T81 HydrophobicContact CG-CG2 3.86Å; L78-T81 WeakPolarHBondContact CG-OG1 3.48Å; L78-T81 PolarHBondContact O-N 3.22Å; L78-T81 PolarHBondContact O-OG1 3.03Å; L78-L83 HydrophobicContact CB-CB 4.03Å; L78-L83 HydrophobicContact CB-CD2 3.63Å; L78-L83 HydrophobicContact CB-CG 4.49Å; L78-L83 HydrophobicContact CD2-CD2 4.37Å; L78-M206 HydrophobicContact CD2-CG 3.67Å; L78-M206 HydrophobicContact CD2-SD 3.8Å; L78-A367 HydrophobicContact CD1-CB 3.73Å; L78-A367 WeakPolarHBondContact CD1-O 3.31Å; L78-A367 HydrophobicContact CD2-CB 4.47Å; L78-F369 HydrophobicContact CB-CD1 4.18Å; L78-F369 HydrophobicContact CB-CD2 4.37Å; L78-F369 HydrophobicContact CB-CE1 3.65Å; L78-F369 HydrophobicContact CB-CE2 3.84Å; L78-F369 HydrophobicContact CB-CZ 3.5Å; L78-F369 VanDerWaalsContact CB-CZ 3.5Å; L78-F369 HydrophobicContact CD1-CD2 3.79Å; L78-F369 HydrophobicContact CD1-CE2 3.67Å; L78-F369 HydrophobicContact CD1-CG 4.43Å; L78-F369 HydrophobicContact CD1-CZ 4.24Å; L78-F369 HydrophobicContact CD2-CE2 3.59Å; L78-F369 HydrophobicContact CD2-CZ 3.75Å; L78-F369 HydrophobicContact CG-CD2 4.46Å; L78-F369 HydrophobicContact CG-CE2 3.9Å; L78-F369 HydrophobicContact CG-CZ 4.04Å
79S70.8Confident89.6Confident91 Ų9128.1 Ų28.164%0.63618%0.183SC*.THydrogen-bonded Turntrans-50.8127.3178.9-69.90000111.8T81S79-T81 VanDerWaalsContact C-N 3.34Å
80G69.1Low89.8Confident84 Ų8426.9 Ų26.987%0.86617%0.17SC*.THydrogen-bonded Turntrans82.67.7-179.700000115L78L78-G80 PolarHBondContact O-N 3.4Å
81T73.6Confident89.8Confident35 Ų3527 Ų2722%0.21517%0.171CC..SBendtrans-127.8167.9170.770.90000110.7L78 S79 L83 K205 M206L78-T81 VanDerWaalsContact CB-OG1 3.27Å; L78-T81 WeakPolarHBondContact CB-OG1 3.43Å; L78-T81 HydrophobicContact CD2-CG2 3.72Å; L78-T81 HydrophobicContact CG-CG2 3.86Å; L78-T81 WeakPolarHBondContact CG-OG1 3.48Å; L78-T81 PolarHBondContact O-N 3.22Å; L78-T81 PolarHBondContact O-OG1 3.03Å; S79-T81 VanDerWaalsContact C-N 3.34Å; T81-L83 PolarHBondContact O-N 3.16Å; T81-L83 VanDerWaalsContact OG1-CB 3.28Å; T81-L83 WeakPolarHBondContact OG1-CB 3.41Å; T81-L83 PolarHBondContact OG1-N 3.35Å; T81-K205 HydrophobicContact CG2-CB 4.35Å; T81-M206 HydrophobicContact CG2-CB 4.36Å; T81-M206 HydrophobicContact CG2-CG 3.51Å
82D81.2Confident89.7Confident110 Ų11028.3 Ų28.359%0.58818%0.178SC*.  trans-87.216.5171.770.8-27.2000112.5D84 K205D82-D84 PolarHBondContact O-N 2.88Å; D82-K205 VanDerWaalsContact OD1-CD 3.23Å; D82-K205 WeakPolarHBondContact OD1-CD 3.31Å; D82-K205 VanDerWaalsContact OD1-CE 3.31Å; D82-K205 WeakPolarHBondContact OD1-CE 3.42Å; D82-K205 IonicContact OD1-NZ 2.7Å; D82-K205 PolarHBondContact OD1-NZ 2.77Å; D82-K205 IonicContact OD2-NZ 3.03Å; D82-K205 PolarHBondContact OD2-NZ 3.48Å
83L84.1Confident89.5Confident5 Ų534.6 Ų34.63%0.02621%0.211CC..  trans-68.9117.6179.8-176.180.6000110.4T77 L78 T81 L85 Y201 K205 F369T77-L83 WeakPolarHBondContact CA-O 3.37Å; L78-L83 HydrophobicContact CB-CB 4.03Å; L78-L83 HydrophobicContact CB-CD2 3.63Å; L78-L83 HydrophobicContact CB-CG 4.49Å; L78-L83 HydrophobicContact CD2-CD2 4.37Å; T81-L83 PolarHBondContact O-N 3.16Å; T81-L83 VanDerWaalsContact OG1-CB 3.28Å; T81-L83 WeakPolarHBondContact OG1-CB 3.41Å; T81-L83 PolarHBondContact OG1-N 3.35Å; L83-L85 HydrophobicContact CD1-CD1 3.94Å; L83-L85 HydrophobicContact CD1-CD2 4.3Å; L83-L85 HydrophobicContact CD1-CG 3.91Å; L83-L85 HydrophobicContact CG-CD1 4.34Å; L83-L85 HydrophobicContact CG-CG 4.13Å; L83-Y201 HydrophobicContact CD1-CD1 3.18Å; L83-Y201 HydrophobicContact CD1-CE1 3.54Å; L83-Y201 HydrophobicContact CD1-CG 4.05Å; L83-K205 HydrophobicContact CD1-CG 4.32Å; L83-F369 HydrophobicContact CD2-CD1 4.46Å; L83-F369 HydrophobicContact CD2-CE1 3.13Å; L83-F369 HydrophobicContact CD2-CE2 4.35Å; L83-F369 HydrophobicContact CD2-CZ 3.07Å; L83-F369 HydrophobicContact CG-CE1 4.5Å
84D91.5Very high89.4Confident65 Ų6537.8 Ų37.835%0.34824%0.244SC..EExtended strand (participates in β ladder)trans-136.199.5-178.7-168.618.2000109.8D82 P182 T183D82-D84 PolarHBondContact O-N 2.88Å; D84-P182 WeakPolarHBondContact O-CA 3.49Å; D84-T183 PolarHBondContact O-N 2.96Å
85L95.5Very high89.4Confident1 Ų138 Ų381%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-124.4151.5-176.1-56.4-178.7000110.9Y75 V76 L83 T183 V185 A198 Y201Y75-L85 CarbonylContact C-O 3.6Å; Y75-L85 WeakPolarHBondContact CA-O 3.39Å; V76-L85 HydrophobicContact CB-CB 4.32Å; V76-L85 PolarHBondContact N-O 3Å; V76-L85 PolarHBondContact O-N 3.4Å; V76-L85 VanDerWaalsContact O-N 3.17Å; L83-L85 HydrophobicContact CD1-CD1 3.94Å; L83-L85 HydrophobicContact CD1-CD2 4.3Å; L83-L85 HydrophobicContact CD1-CG 3.91Å; L83-L85 HydrophobicContact CG-CD1 4.34Å; L83-L85 HydrophobicContact CG-CG 4.13Å; L85-T183 VanDerWaalsContact CA-O 3.3Å; L85-T183 WeakPolarHBondContact CA-O 3.36Å; L85-T183 HydrophobicContact CD2-CG2 4.38Å; L85-V185 HydrophobicContact CD1-CG2 4.43Å; L85-V185 HydrophobicContact CD2-CG2 4.1Å; L85-A198 HydrophobicContact CD1-CB 3.76Å; L85-Y201 HydrophobicContact CD1-CD1 4.39Å; L85-Y201 HydrophobicContact CD2-CD1 4.15Å; L85-Y201 HydrophobicContact CD2-CE1 4.19Å
86I98Very high89.5Confident0 Ų035.6 Ų35.60%024%0.237CC..EExtended strand (participates in β ladder)trans-111120.9158.3-71.6170.4000107.7V63 A73 N74 Y75 M102 E106 P182 T183 V184 V185V63-I86 HydrophobicContact CG2-CD1 3.92Å; V63-I86 HydrophobicContact CG2-CG1 4.07Å; V63-I86 HydrophobicContact CG2-CG2 4.06Å; A73-I86 HydrophobicContact CB-CG2 3.88Å; N74-I86 WeakPolarHBondContact O-CA 3.3Å; Y75-I86 HydrophobicContact CD1-CD1 4.2Å; Y75-I86 HydrophobicContact CD1-CG1 3.74Å; Y75-I86 HydrophobicContact CE1-CD1 3.88Å; Y75-I86 HydrophobicContact CE1-CG1 3.96Å; I86-M102 HydrophobicContact CD1-CG 4.45Å; I86-M102 HydrophobicContact CD1-SD 4.42Å; I86-M102 HydrophobicContact CG2-CE 4.03Å; I86-M102 HydrophobicContact CG2-SD 3.75Å; I86-E106 HydrophobicContact CD1-CB 3.9Å; I86-E106 HydrophobicContact CD1-CG 3.79Å; I86-P182 HydrophobicContact CD1-CB 4.17Å; I86-P182 HydrophobicContact CD1-CG 3.41Å; I86-P182 VanDerWaalsContact CD1-CG 3.41Å; I86-P182 HydrophobicContact CG1-CB 3.88Å; I86-P182 HydrophobicContact CG1-CG 3.65Å; I86-T183 PolarHBondContact N-O 3.29Å; I86-V184 HydrophobicContact CB-CG2 4.41Å; I86-V184 CarbonylContact O-C 3.55Å; I86-V184 WeakPolarHBondContact O-CA 3.37Å; I86-V185 PolarHBondContact O-N 3.03Å
87L97.2Very high89.8Confident2 Ų236.7 Ų36.71%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-93.5129.2168.6-59.3-164.7000109.6A73 N74 V76 V185 A198A73-L87 CarbonylContact C-O 3.59Å; A73-L87 WeakPolarHBondContact CA-O 3.48Å; N74-L87 PolarHBondContact N-O 3.48Å; N74-L87 PolarHBondContact O-N 2.88Å; V76-L87 HydrophobicContact CB-CD1 4.46Å; V76-L87 HydrophobicContact CB-CG 4.08Å; V76-L87 HydrophobicContact CG1-CD1 4.48Å; V76-L87 HydrophobicContact CG2-CB 4.16Å; V76-L87 HydrophobicContact CG2-CD1 3.82Å; V76-L87 HydrophobicContact CG2-CG 3.59Å; L87-V185 WeakPolarHBondContact CA-O 3.36Å; L87-V185 HydrophobicContact CD2-CB 3.65Å; L87-V185 HydrophobicContact CD2-CG1 4.27Å; L87-V185 HydrophobicContact CD2-CG2 4.29Å; L87-A198 HydrophobicContact CD1-CB 4.01Å; L87-A198 HydrophobicContact CD2-CB 4.22Å
88T98.4Very high90.2Very high3 Ų334.2 Ų34.22%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-142.3161.5179.8-172.90000111.8N72 F99 M102 V184 V185 H186 G190N72-T88 PolarHBondContact O-OG1 3.36Å; T88-F99 HydrophobicContact CG2-CD2 4.29Å; T88-F99 HydrophobicContact CG2-CE2 3.95Å; T88-M102 HydrophobicContact CG2-CE 4.16Å; T88-V184 HydrophobicContact CG2-CG1 3.78Å; T88-V185 PolarHBondContact N-O 2.86Å; T88-H186 HydrophobicContact CG2-CB 3.72Å; T88-H186 WeakPolarHBondContact O-CA 3.25Å; T88-H186 WeakPolarHBondContact O-CB 3.36Å; T88-G190 WeakPolarHBondContact O-CA 3.5Å
89Q97Very high91.3Very high6 Ų634.1 Ų34.13%0.02823%0.233CC..PPolyproline II helixtrans-65.7158.3168.867.1-177.612.400111.5L49 R51 N72 S188L49-Q89 PolarHBondContact O-NE2 3.49Å; R51-Q89 HydrophobicContact CB-CB 4.46Å; R51-Q89 VanDerWaalsContact CB-OE1 3.29Å; N72-Q89 HydrophobicContact CB-CG 4.14Å; N72-Q89 PolarHBondContact O-N 3.11Å; Q89-S188 CarbonylContact C-O 3.55Å; Q89-S188 WeakPolarHBondContact CA-O 3.37Å
90G97.1Very high92.5Very high0 Ų030 Ų300%020%0.204CC..PPolyproline II helixtrans-63130165.100000109.4R51 C187 S188R51-G90 VanDerWaalsContact CZ-O 3.31Å; R51-G90 PolarHBondContact NE-O 2.97Å; R51-G90 PolarHBondContact NH2-O 3.06Å; G90-C187 VanDerWaalsContact CA-O 3.24Å; G90-C187 WeakPolarHBondContact CA-O 3.42Å; G90-C187 PolarHBondContact N-O 3.13Å; G90-S188 PolarHBondContact N-O 3.4Å
91P97.4Very high93.7Very high3 Ų327.8 Ų27.82%0.01917%0.17CC..PPolyproline II helixtrans-48.7141.1-178.9-3436.8000114.1R51 V96 F99 C125 H126 Y128R51-P91 PolarHBondContact NH2-O 2.73Å; P91-V96 HydrophobicContact CB-CG2 4.22Å; P91-F99 HydrophobicContact CB-CB 4.46Å; P91-F99 HydrophobicContact CG-CB 3.86Å; P91-F99 HydrophobicContact CG-CD1 4.19Å; P91-F99 HydrophobicContact CG-CD2 3.56Å; P91-F99 HydrophobicContact CG-CE2 4.11Å; P91-F99 HydrophobicContact CG-CG 3.59Å; P91-C125 VanDerWaalsContact CD-SG 3.53Å; P91-H126 WeakPolarHBondContact O-CB 3.3Å; P91-H126 PolarHBondContact O-N 3.42Å; P91-Y128 HydrophobicContact CG-CD1 3.92Å; P91-Y128 HydrophobicContact CG-CG 3.97Å
92L96.7Very high94.7Very high36 Ų3626.1 Ų26.119%0.18816%0.16CC..PPolyproline II helixtrans-90.9164.9167.3-58.8169.2000108.5R51 G94 T95 V96R51-L92 HydrophobicContact CB-CD2 3.96Å; R51-L92 HydrophobicContact CB-CG 4.43Å; R51-L92 HydrophobicContact CG-CD2 4.09Å; L92-G94 PolarHBondContact O-N 2.82Å; L92-T95 HydrophobicContact CB-CG2 4.42Å; L92-T95 WeakPolarHBondContact CB-OG1 3.49Å; L92-T95 HydrophobicContact CD1-CG2 4.45Å; L92-T95 PolarHBondContact N-OG1 3.27Å; L92-T95 PolarHBondContact O-N 3.44Å; L92-T95 PolarHBondContact O-OG1 2.81Å; L92-V96 VanDerWaalsContact O-CG2 3.25Å; L92-V96 WeakPolarHBondContact O-CG2 2.99Å; L92-V96 PolarHBondContact O-N 3.42Å; L92-V96 VanDerWaalsContact O-N 3.17Å
93L95Very high95.4Very high133 Ų13321.1 Ų21.170%0.69613%0.133SC*.G310 helixtrans-51.3-46.2175.2175.262.5000111.5T95 H126L93-T95 VanDerWaalsContact C-N 3.34Å; L93-T95 PolarHBondContact O-N 3.19Å; L93-H126 WeakPolarHBondContact CD1-NE2 3.23Å
94G94.5Very high95.8Very high66 Ų6622.4 Ų22.468%0.6814%0.138SC*.G310 helixtrans-75.5-13.1179.300000115.5L92L92-G94 PolarHBondContact O-N 2.82Å
95T96.1Very high95.9Very high6 Ų621.6 Ų21.64%0.03713%0.134CC..G310 helixtrans-114.79.8-175.361.70000113.7L49 L92 L93 D98 F99L49-T95 HydrophobicContact CB-CG2 4.14Å; L49-T95 HydrophobicContact CD2-CG2 3.78Å; L92-T95 HydrophobicContact CB-CG2 4.42Å; L92-T95 WeakPolarHBondContact CB-OG1 3.49Å; L92-T95 HydrophobicContact CD1-CG2 4.45Å; L92-T95 PolarHBondContact N-OG1 3.27Å; L92-T95 PolarHBondContact O-N 3.44Å; L92-T95 PolarHBondContact O-OG1 2.81Å; L93-T95 VanDerWaalsContact C-N 3.34Å; L93-T95 PolarHBondContact O-N 3.19Å; T95-D98 PolarHBondContact O-N 3.26Å; T95-F99 WeakPolarHBondContact O-CB 3.45Å; T95-F99 PolarHBondContact O-N 2.91Å
96V96.3Very high95.7Very high14 Ų1423.7 Ų23.79%0.08514%0.143CC..Hα-helixtrans-60.9-45.8173.8177.40000110.8P91 L92 D98 F99 W100 M143P91-V96 HydrophobicContact CB-CG2 4.22Å; L92-V96 VanDerWaalsContact O-CG2 3.25Å; L92-V96 WeakPolarHBondContact O-CG2 2.99Å; L92-V96 PolarHBondContact O-N 3.42Å; L92-V96 VanDerWaalsContact O-N 3.17Å; V96-D98 PolarHBondContact O-N 3.39Å; V96-F99 WeakPolarHBondContact O-CB 3.1Å; V96-F99 PolarHBondContact O-N 3.47Å; V96-W100 VanDerWaalsContact O-CD1 3.32Å; V96-W100 PolarHBondContact O-N 2.95Å; V96-M143 HydrophobicContact CG1-CE 3.62Å; V96-M143 HydrophobicContact CG1-SD 3.58Å; V96-M143 VanDerWaalsContact CG1-SD 3.58Å
97G94.6Very high95.5Very high29 Ų2926.1 Ų26.130%0.29916%0.155SC..Hα-helixtrans-62.1-43.617800000112.5F99 W100 K101G97-F99 VanDerWaalsContact C-N 3.34Å; G97-F99 PolarHBondContact O-N 3.38Å; G97-W100 PolarHBondContact O-N 3.37Å; G97-K101 WeakPolarHBondContact O-CB 3.1Å; G97-K101 PolarHBondContact O-N 3.31Å
98D95.8Very high95.4Very high25 Ų2526.4 Ų26.413%0.13416%0.156CC..Hα-helixtrans-61.7-39.9175.8-71.5-28.3000112.4L65 I71 T95 V96 W100 K101 M102L65-D98 HydrophobicContact CD1-CB 3.54Å; I71-D98 HydrophobicContact CD1-CB 4.25Å; T95-D98 PolarHBondContact O-N 3.26Å; V96-D98 PolarHBondContact O-N 3.39Å; D98-W100 PolarHBondContact O-N 2.79Å; D98-K101 WeakPolarHBondContact O-CB 3.13Å; D98-K101 PolarHBondContact O-N 2.99Å; D98-M102 WeakPolarHBondContact O-CB 3.38Å; D98-M102 PolarHBondContact O-N 2.86Å
99F97.4Very high95.1Very high3 Ų331 Ų311%0.01318%0.178CC..Hα-helixtrans-59.9-44.6176176.7-89.8000111.9T88 P91 T95 V96 G97 M102 V103 I111 Y128 V184T88-F99 HydrophobicContact CG2-CD2 4.29Å; T88-F99 HydrophobicContact CG2-CE2 3.95Å; P91-F99 HydrophobicContact CB-CB 4.46Å; P91-F99 HydrophobicContact CG-CB 3.86Å; P91-F99 HydrophobicContact CG-CD1 4.19Å; P91-F99 HydrophobicContact CG-CD2 3.56Å; P91-F99 HydrophobicContact CG-CE2 4.11Å; P91-F99 HydrophobicContact CG-CG 3.59Å; T95-F99 WeakPolarHBondContact O-CB 3.45Å; T95-F99 PolarHBondContact O-N 2.91Å; V96-F99 WeakPolarHBondContact O-CB 3.1Å; V96-F99 PolarHBondContact O-N 3.47Å; G97-F99 VanDerWaalsContact C-N 3.34Å; G97-F99 PolarHBondContact O-N 3.38Å; F99-M102 HydrophobicContact CD2-CE 4.14Å; F99-M102 HydrophobicContact CE2-CE 4.26Å; F99-M102 WeakPolarHBondContact O-CB 3.35Å; F99-M102 PolarHBondContact O-N 3.37Å; F99-V103 HydrophobicContact CD1-CG2 4.29Å; F99-V103 HydrophobicContact CE1-CG2 3.91Å; F99-V103 HydrophobicContact CZ-CG2 4.22Å; F99-V103 WeakPolarHBondContact O-CG2 3.36Å; F99-V103 PolarHBondContact O-N 2.68Å; F99-I111 HydrophobicContact CE1-CD1 3.92Å; F99-I111 HydrophobicContact CZ-CD1 4.04Å; F99-I111 HydrophobicContact CZ-CG2 4.04Å; F99-Y128 AromaticContact CD1-CD2 3.86Å; F99-Y128 HydrophobicContact CD1-CD2 3.86Å; F99-Y128 HydrophobicContact CD1-CE2 4.28Å; F99-Y128 HydrophobicContact CD1-CG 4.48Å; F99-Y128 AromaticContact CE1-CD2 3.46Å; F99-Y128 HydrophobicContact CE1-CD2 3.46Å; F99-Y128 VanDerWaalsContact CE1-CD2 3.46Å; F99-Y128 AromaticContact CE1-CE2 3.43Å; F99-Y128 HydrophobicContact CE1-CE2 3.43Å; F99-Y128 VanDerWaalsContact CE1-CE2 3.43Å; F99-Y128 HydrophobicContact CE1-CG 4.36Å; F99-Y128 HydrophobicContact CZ-CD2 4.16Å; F99-Y128 AromaticContact CZ-CE2 3.78Å; F99-Y128 HydrophobicContact CZ-CE2 3.78Å; F99-V184 HydrophobicContact CE2-CG1 3.91Å; F99-V184 HydrophobicContact CZ-CG1 4.14Å
100W95.9Very high95.1Very high5 Ų534.8 Ų34.82%0.01920%0.198CC..Hα-helixtrans-77.5-28.6178.2-72.496.2000113.2V96 G97 D98 M102 V103 W104 I111 Y128 L129 M143 F146 V148 L164 L166V96-W100 VanDerWaalsContact O-CD1 3.32Å; V96-W100 PolarHBondContact O-N 2.95Å; G97-W100 PolarHBondContact O-N 3.37Å; D98-W100 PolarHBondContact O-N 2.79Å; W100-M102 VanDerWaalsContact C-N 3.32Å; W100-V103 HydrophobicContact CE3-CB 4.02Å; W100-V103 HydrophobicContact CE3-CG1 3.85Å; W100-V103 HydrophobicContact CE3-CG2 4.29Å; W100-V103 HydrophobicContact CZ3-CG1 3.92Å; W100-V103 PolarHBondContact O-N 3.06Å; W100-W104 VanDerWaalsContact O-CB 3.3Å; W100-W104 WeakPolarHBondContact O-CB 3.4Å; W100-W104 PolarHBondContact O-N 3.41Å; W100-I111 HydrophobicContact CH2-CD1 3.75Å; W100-I111 HydrophobicContact CZ2-CD1 4.45Å; W100-I111 HydrophobicContact CZ3-CD1 3.95Å; W100-Y128 AromaticContact CE2-CD2 3.89Å; W100-Y128 AromaticContact CZ2-CD2 3.71Å; W100-Y128 HydrophobicContact CZ2-CD2 3.71Å; W100-Y128 HydrophobicContact CZ2-CE2 4.02Å; W100-Y128 WeakPolarHBondContact CZ2-O 3.41Å; W100-Y128 AromaticContact NE1-CD2 3.68Å; W100-Y128 PolarHBondContact NE1-O 3.15Å; W100-L129 HydrophobicContact CZ2-CB 4.48Å; W100-M143 HydrophobicContact CB-SD 3.81Å; W100-M143 HydrophobicContact CD2-SD 4.48Å; W100-M143 HydrophobicContact CG-CE 4.31Å; W100-M143 HydrophobicContact CG-SD 3.48Å; W100-F146 HydrophobicContact CB-CB 4.43Å; W100-F146 HydrophobicContact CB-CD2 4.14Å; W100-F146 HydrophobicContact CB-CG 4.29Å; W100-V148 HydrophobicContact CD2-CG2 3.57Å; W100-V148 VanDerWaalsContact CE2-CG2 3.41Å; W100-V148 HydrophobicContact CE3-CG2 3.99Å; W100-V148 HydrophobicContact CG-CG2 4.06Å; W100-V148 HydrophobicContact CH2-CG1 3.64Å; W100-V148 HydrophobicContact CH2-CG2 4.07Å; W100-V148 HydrophobicContact CZ2-CB 4.23Å; W100-V148 HydrophobicContact CZ2-CG1 3.57Å; W100-V148 HydrophobicContact CZ2-CG2 3.67Å; W100-V148 HydrophobicContact CZ3-CG1 4.34Å; W100-V148 HydrophobicContact CZ3-CG2 4.21Å; W100-L164 HydrophobicContact CH2-CD1 3.73Å; W100-L164 HydrophobicContact CZ2-CD1 4.31Å; W100-L166 HydrophobicContact CD2-CD1 4.22Å; W100-L166 HydrophobicContact CE3-CD1 3.64Å; W100-L166 HydrophobicContact CE3-CD2 3.79Å; W100-L166 HydrophobicContact CE3-CG 4.25Å; W100-L166 HydrophobicContact CZ3-CD1 4.22Å; W100-L166 HydrophobicContact CZ3-CD2 4.2Å
101K93.9Very high95.1Very high36 Ų3637.2 Ų37.216%0.15721%0.21CC..Hα-helixtrans-58.8-45.2167.3-166.5-177.7-68.4-169.10110.5L65 E67 G97 D98 W104 N105 F146L65-K101 HydrophobicContact CD2-CB 4.46Å; L65-K101 HydrophobicContact CD2-CG 4.44Å; E67-K101 IonicContact OE2-NZ 3.69Å; E67-K101 PolarHBondContact OE2-NZ 3.39Å; G97-K101 WeakPolarHBondContact O-CB 3.1Å; G97-K101 PolarHBondContact O-N 3.31Å; D98-K101 WeakPolarHBondContact O-CB 3.13Å; D98-K101 PolarHBondContact O-N 2.99Å; K101-W104 PolarHBondContact O-N 2.83Å; K101-N105 WeakPolarHBondContact O-CB 3.28Å; K101-N105 PolarHBondContact O-N 2.85Å; K101-N105 PolarHBondContact O-ND2 3.18Å; K101-F146 HydrophobicContact CB-CE2 3.84Å; K101-F146 HydrophobicContact CB-CZ 4.32Å; K101-F146 HydrophobicContact CG-CE2 4.31Å; K101-F146 HydrophobicContact CG-CZ 4.48Å
102M95.7Very high95.1Very high0 Ų039.3 Ų39.30%022%0.221CC..Hα-helixtrans-58.6-53.6173-173.8-174.867.100111.5V63 L65 I71 A73 I86 T88 D98 F99 W100 W104 N105 E106 V184V63-M102 HydrophobicContact CB-SD 4.39Å; V63-M102 HydrophobicContact CG1-CG 3.88Å; V63-M102 HydrophobicContact CG1-SD 4.34Å; V63-M102 HydrophobicContact CG2-SD 4.24Å; L65-M102 HydrophobicContact CD2-CB 3.86Å; I71-M102 HydrophobicContact CD1-CB 4.05Å; I71-M102 HydrophobicContact CD1-CE 4.47Å; I71-M102 HydrophobicContact CD1-SD 3.91Å; I71-M102 HydrophobicContact CG2-SD 4.3Å; A73-M102 HydrophobicContact CB-SD 3.64Å; I86-M102 HydrophobicContact CD1-CG 4.45Å; I86-M102 HydrophobicContact CD1-SD 4.42Å; I86-M102 HydrophobicContact CG2-CE 4.03Å; I86-M102 HydrophobicContact CG2-SD 3.75Å; T88-M102 HydrophobicContact CG2-CE 4.16Å; D98-M102 WeakPolarHBondContact O-CB 3.38Å; D98-M102 PolarHBondContact O-N 2.86Å; F99-M102 HydrophobicContact CD2-CE 4.14Å; F99-M102 HydrophobicContact CE2-CE 4.26Å; F99-M102 WeakPolarHBondContact O-CB 3.35Å; F99-M102 PolarHBondContact O-N 3.37Å; W100-M102 VanDerWaalsContact C-N 3.32Å; M102-W104 VanDerWaalsContact C-N 3.25Å; M102-W104 PolarHBondContact O-N 3.39Å; M102-N105 PolarHBondContact O-N 3.36Å; M102-E106 HydrophobicContact CG-CG 4.16Å; M102-E106 VanDerWaalsContact O-CB 3.29Å; M102-E106 WeakPolarHBondContact O-CB 3.39Å; M102-E106 WeakPolarHBondContact O-CG 3.31Å; M102-E106 PolarHBondContact O-N 2.83Å; M102-V184 HydrophobicContact CE-CG1 4.01Å; M102-V184 HydrophobicContact CE-CG2 4.06Å
103V95.7Very high95Very high6 Ų640.2 Ų40.24%0.03623%0.225CC..Hα-helixtrans-56.4-41.5179.9167.90000111.6F99 W100 H107 C108 I111 L166 V184F99-V103 HydrophobicContact CD1-CG2 4.29Å; F99-V103 HydrophobicContact CE1-CG2 3.91Å; F99-V103 HydrophobicContact CZ-CG2 4.22Å; F99-V103 WeakPolarHBondContact O-CG2 3.36Å; F99-V103 PolarHBondContact O-N 2.68Å; W100-V103 HydrophobicContact CE3-CB 4.02Å; W100-V103 HydrophobicContact CE3-CG1 3.85Å; W100-V103 HydrophobicContact CE3-CG2 4.29Å; W100-V103 HydrophobicContact CZ3-CG1 3.92Å; W100-V103 PolarHBondContact O-N 3.06Å; V103-H107 PolarHBondContact O-N 2.88Å; V103-C108 HydrophobicContact CB-CB 4.42Å; V103-C108 HydrophobicContact CG1-CB 4.09Å; V103-C108 PolarHBondContact O-N 3.32Å; V103-I111 HydrophobicContact CG2-CD1 4.1Å; V103-I111 HydrophobicContact CG2-CG1 4.5Å; V103-L166 HydrophobicContact CG1-CD2 3.86Å; V103-V184 HydrophobicContact CG2-CG2 4.19Å
104W93.2Very high94.8Very high32 Ų3236.3 Ų36.312%0.12121%0.205CC..Hα-helixtrans-66.3-52.9178.6-178.6-94.5000112.4W100 K101 M102 H107 F146 L166 C168 R173W100-W104 VanDerWaalsContact O-CB 3.3Å; W100-W104 WeakPolarHBondContact O-CB 3.4Å; W100-W104 PolarHBondContact O-N 3.41Å; K101-W104 PolarHBondContact O-N 2.83Å; M102-W104 VanDerWaalsContact C-N 3.25Å; M102-W104 PolarHBondContact O-N 3.39Å; W104-H107 PolarHBondContact O-N 2.86Å; W104-F146 HydrophobicContact CB-CE1 3.57Å; W104-F146 HydrophobicContact CB-CZ 3.8Å; W104-F146 HydrophobicContact CD2-CD1 4.5Å; W104-F146 AromaticContact CD2-CE1 3.7Å; W104-F146 HydrophobicContact CD2-CE1 3.7Å; W104-F146 HydrophobicContact CE3-CD1 4.41Å; W104-F146 HydrophobicContact CE3-CE1 4.04Å; W104-F146 AromaticContact CG-CE1 3.5Å; W104-F146 HydrophobicContact CG-CE1 3.5Å; W104-F146 VanDerWaalsContact CG-CE1 3.5Å; W104-F146 AromaticContact CG-CZ 3.96Å; W104-F146 HydrophobicContact CG-CZ 3.96Å; W104-L166 HydrophobicContact CB-CD2 4.22Å; W104-L166 HydrophobicContact CE3-CD2 3.78Å; W104-L166 HydrophobicContact CE3-CG 3.87Å; W104-L166 HydrophobicContact CZ3-CG 4.3Å; W104-C168 HydrophobicContact CD2-CB 4.04Å; W104-C168 HydrophobicContact CE3-CB 4.13Å; W104-C168 HydrophobicContact CH2-CB 3.34Å; W104-C168 HydrophobicContact CZ2-CB 3.22Å; W104-C168 HydrophobicContact CZ3-CB 3.82Å; W104-R173 HydrophobicContact CD2-CG 4.36Å; W104-R173 HydrophobicContact CH2-CB 3.52Å; W104-R173 HydrophobicContact CH2-CG 4.1Å; W104-R173 VanDerWaalsContact CZ2-CA 3.4Å; W104-R173 HydrophobicContact CZ2-CB 3.36Å; W104-R173 HydrophobicContact CZ2-CG 3.81Å; W104-R173 HydrophobicContact CZ3-CB 4.27Å; W104-R173 HydrophobicContact CZ3-CG 4.47Å
105N92.1Very high94.3Very high48 Ų4833.9 Ų33.926%0.25718%0.177SC..Hα-helixtrans-69.5-40.6-173.8-67-15.6000112.7P66 K101 M102 H107P66-N105 WeakPolarHBondContact CD-ND2 3.44Å; P66-N105 WeakPolarHBondContact CG-ND2 3.49Å; K101-N105 WeakPolarHBondContact O-CB 3.28Å; K101-N105 PolarHBondContact O-N 2.85Å; K101-N105 PolarHBondContact O-ND2 3.18Å; M102-N105 PolarHBondContact O-N 3.36Å; N105-H107 PolarHBondContact O-CD2 3.45Å; N105-H107 PolarHBondContact O-N 2.67Å
106E92.4Very high93.9Very high45 Ų4535.2 Ų35.221%0.2119%0.192CC..THydrogen-bonded Turntrans-79.53.8178.2-59.8-51.4131.400112.3V63 Y75 I86 M102 C108 G181 P182V63-E106 HydrophobicContact CG1-CG 4.09Å; Y75-E106 WeakPolarHBondContact CE1-OE2 3.43Å; Y75-E106 PolarHBondContact OH-OE1 2.88Å; Y75-E106 VanDerWaalsContact OH-OE1 3.12Å; Y75-E106 PolarHBondContact OH-OE2 3.39Å; I86-E106 HydrophobicContact CD1-CB 3.9Å; I86-E106 HydrophobicContact CD1-CG 3.79Å; M102-E106 HydrophobicContact CG-CG 4.16Å; M102-E106 VanDerWaalsContact O-CB 3.29Å; M102-E106 WeakPolarHBondContact O-CB 3.39Å; M102-E106 WeakPolarHBondContact O-CG 3.31Å; M102-E106 PolarHBondContact O-N 2.83Å; E106-C108 VanDerWaalsContact CB-SG 3.59Å; E106-C108 PolarHBondContact O-N 3.22Å; E106-G181 VanDerWaalsContact O-CA 3.28Å; E106-G181 WeakPolarHBondContact O-CA 3.03Å; E106-P182 HydrophobicContact CB-CG 4.3Å; E106-P182 WeakPolarHBondContact O-CD 3.21Å
107H92.4Very high93.7Very high51 Ų5136.5 Ų36.524%0.23620%0.196CC..THydrogen-bonded Turntrans55.131.8-178.7-61.4-94.8000114.9V103 W104 N105 E109 R173 G181V103-H107 PolarHBondContact O-N 2.88Å; W104-H107 PolarHBondContact O-N 2.86Å; N105-H107 PolarHBondContact O-CD2 3.45Å; N105-H107 PolarHBondContact O-N 2.67Å; H107-E109 PolarHBondContact O-N 3.5Å; H107-R173 PolarHBondContact ND1-NE 2.9Å; H107-R173 PolarHBondContact ND1-NH2 3.03Å; H107-R173 PolarHBondContact O-NH2 3.45Å; H107-G181 WeakPolarHBondContact O-CA 3.29Å; H107-G181 PolarHBondContact O-N 3.42Å
108C95.2Very high93.5Very high7 Ų739.9 Ų39.95%0.04721%0.211CC..  trans-64.7131.3-177.8-57.10000111.3V103 E106 P182 V184V103-C108 HydrophobicContact CB-CB 4.42Å; V103-C108 HydrophobicContact CG1-CB 4.09Å; V103-C108 PolarHBondContact O-N 3.32Å; E106-C108 VanDerWaalsContact CB-SG 3.59Å; E106-C108 PolarHBondContact O-N 3.22Å; C108-P182 WeakPolarHBondContact CB-O 3.33Å; C108-P182 PolarHBondContact SG-O 2.9Å; C108-V184 HydrophobicContact CB-CG2 3.85Å; C108-V184 VanDerWaalsContact SG-CG2 3.54Å
109E93.8Very high93Very high101 Ų10142.2 Ų42.247%0.47222%0.222SC..  trans-100-25.9175.3-68.5-178.7-174.100112.7H107 K180H107-E109 PolarHBondContact O-N 3.5Å; E109-K180 WeakPolarHBondContact OE2-CD 3.33Å; E109-K180 WeakPolarHBondContact OE2-CE 2.77Å; E109-K180 IonicContact OE2-NZ 3.13Å; E109-K180 PolarHBondContact OE2-NZ 3.38Å
110N96Very high92.5Very high85 Ų8545.5 Ų45.546%0.45526%0.256SS..  trans-125.7137.6-171-60.4-62.5000110.9T183 V184N110-T183 HydrophobicContact CB-CG2 3.84Å; N110-V184 PolarHBondContact O-N 2.98Å
111I98Very high92Very high50 Ų5053.7 Ų53.726%0.25630%0.3SS..EExtended strand (participates in β ladder)trans-126123.7173.8-55.3169.5000108.3F99 W100 V103 Y128 V184F99-I111 HydrophobicContact CE1-CD1 3.92Å; F99-I111 HydrophobicContact CZ-CD1 4.04Å; F99-I111 HydrophobicContact CZ-CG2 4.04Å; W100-I111 HydrophobicContact CH2-CD1 3.75Å; W100-I111 HydrophobicContact CZ2-CD1 4.45Å; W100-I111 HydrophobicContact CZ3-CD1 3.95Å; V103-I111 HydrophobicContact CG2-CD1 4.1Å; V103-I111 HydrophobicContact CG2-CG1 4.5Å; I111-Y128 HydrophobicContact CD1-CE2 4.42Å; I111-Y128 WeakPolarHBondContact CG2-OH 3.44Å; I111-V184 CarbonylContact C-O 3.48Å; I111-V184 WeakPolarHBondContact CA-O 3.31Å; I111-V184 HydrophobicContact CG1-CB 4.25Å; I111-V184 HydrophobicContact CG2-CB 4.44Å; I111-V184 HydrophobicContact CG2-CG1 4.44Å
112I96.7Very high91.6Very high48 Ų4861.2 Ų61.225%0.24633%0.328CS..EExtended strand (participates in β ladder)trans-107.7107.8176.4-57.5-179.4000108.5L114 T183 V184 V185 H186 F197I112-L114 HydrophobicContact CG2-CD2 3.61Å; I112-L114 HydrophobicContact CG2-CG 3.94Å; I112-T183 HydrophobicContact CD1-CG2 3.77Å; I112-T183 HydrophobicContact CG1-CG2 3.88Å; I112-V184 PolarHBondContact N-O 3.48Å; I112-V185 HydrophobicContact CB-CB 4.46Å; I112-V185 HydrophobicContact CB-CG1 4.21Å; I112-V185 HydrophobicContact CB-CG2 4.18Å; I112-V185 HydrophobicContact CD1-CG2 4.25Å; I112-V185 HydrophobicContact CG2-CG1 4.29Å; I112-V185 WeakPolarHBondContact O-CA 3.3Å; I112-H186 PolarHBondContact O-N 2.7Å; I112-F197 HydrophobicContact CD1-CE1 3.63Å; I112-F197 HydrophobicContact CD1-CE2 4.01Å; I112-F197 HydrophobicContact CD1-CZ 3.29Å
113M94.4Very high91.3Very high54 Ų5464.5 Ų64.527%0.26636%0.355SS..EExtended strand (participates in β ladder)trans-97.3110.2176.5178.6164.9178.200110.1S115 F117 C125 Y128 H186M113-S115 WeakPolarHBondContact CE-O 3.39Å; M113-S115 VanDerWaalsContact CG-O 3.27Å; M113-S115 WeakPolarHBondContact CG-O 3.35Å; M113-F117 HydrophobicContact CE-CD1 3.71Å; M113-F117 HydrophobicContact CE-CD2 4.33Å; M113-F117 HydrophobicContact CE-CE1 3.6Å; M113-F117 HydrophobicContact CE-CE2 4.23Å; M113-F117 HydrophobicContact CE-CG 4.08Å; M113-F117 HydrophobicContact CE-CZ 3.88Å; M113-F117 HydrophobicContact SD-CE1 4.12Å; M113-F117 HydrophobicContact SD-CZ 4.09Å; M113-C125 HydrophobicContact CE-CB 4.04Å; M113-Y128 HydrophobicContact SD-CE1 3.85Å; M113-H186 WeakPolarHBondContact CB-NE2 3.25Å; M113-H186 VanDerWaalsContact CG-CE1 3.47Å; M113-H186 WeakPolarHBondContact CG-CE1 3.38Å
114L90.5Very high91Very high52 Ų5265.4 Ų65.427%0.27236%0.359SS..  trans-97.212.3-174.7-59.7172.3000113.6I112 V185 H186 C187 R193 F197I112-L114 HydrophobicContact CG2-CD2 3.61Å; I112-L114 HydrophobicContact CG2-CG 3.94Å; L114-V185 HydrophobicContact CD1-CG1 3.71Å; L114-V185 HydrophobicContact CG-CG1 4.33Å; L114-H186 PolarHBondContact N-O 2.93Å; L114-C187 HydrophobicContact CB-CB 4.15Å; L114-R193 HydrophobicContact CB-CB 4.01Å; L114-R193 HydrophobicContact CD1-CB 4.12Å; L114-R193 WeakPolarHBondContact CD1-O 3.3Å; L114-R193 VanDerWaalsContact O-CD 3.26Å; L114-R193 WeakPolarHBondContact O-CD 3.42Å; L114-R193 VanDerWaalsContact O-CZ 3.27Å; L114-R193 PolarHBondContact O-NE 2.8Å; L114-R193 PolarHBondContact O-NH1 3.27Å; L114-F197 HydrophobicContact CD1-CB 3.57Å; L114-F197 HydrophobicContact CD1-CG 4.16Å; L114-F197 HydrophobicContact CD2-CD2 4.44Å
115S83.6Confident91Very high14 Ų1464 Ų6410%0.09836%0.355CS..SBendtrans-139.1159.3179.162.40000111.3M113 E119 C187 R193M113-S115 WeakPolarHBondContact CE-O 3.39Å; M113-S115 VanDerWaalsContact CG-O 3.27Å; M113-S115 WeakPolarHBondContact CG-O 3.35Å; S115-E119 WeakPolarHBondContact CA-OE1 3.46Å; S115-E119 WeakPolarHBondContact CB-OE1 3.32Å; S115-C187 VanDerWaalsContact OG-C 3.23Å; S115-C187 WeakPolarHBondContact OG-CA 3.47Å; S115-C187 PolarHBondContact OG-O 2.72Å; S115-R193 VanDerWaalsContact CB-CZ 3.44Å; S115-R193 VanDerWaalsContact CB-NH2 3.25Å
116G88.3Confident91.2Very high34 Ų3465 Ų6535%0.35136%0.358SS..  trans-68.7172.7161.300000111.3T118 E119 M124G116-T118 VanDerWaalsContact C-N 3.28Å; G116-E119 PolarHBondContact N-OE1 3.19Å; G116-M124 WeakPolarHBondContact O-CB 3.45Å
117F92.6Very high91.3Very high41 Ų4165.8 Ų65.818%0.1837%0.366CS..SBendtrans-67.9-35165.1-64.4-69.1000110.9M113 M124 C125 P127 Y128 L129 M131M113-F117 HydrophobicContact CE-CD1 3.71Å; M113-F117 HydrophobicContact CE-CD2 4.33Å; M113-F117 HydrophobicContact CE-CE1 3.6Å; M113-F117 HydrophobicContact CE-CE2 4.23Å; M113-F117 HydrophobicContact CE-CG 4.08Å; M113-F117 HydrophobicContact CE-CZ 3.88Å; M113-F117 HydrophobicContact SD-CE1 4.12Å; M113-F117 HydrophobicContact SD-CZ 4.09Å; F117-M124 PolarHBondContact O-N 3.08Å; F117-C125 WeakPolarHBondContact CA-O 3.47Å; F117-C125 HydrophobicContact CD1-CB 4.02Å; F117-C125 WeakPolarHBondContact CD1-O 3.48Å; F117-C125 PolarHBondContact O-N 3.09Å; F117-C125 VanDerWaalsContact O-N 3.12Å; F117-P127 HydrophobicContact CD1-CB 4.43Å; F117-P127 HydrophobicContact CD1-CG 4.23Å; F117-P127 VanDerWaalsContact CE1-CA 3.49Å; F117-P127 HydrophobicContact CE1-CB 4.37Å; F117-P127 HydrophobicContact CG-CG 4.38Å; F117-Y128 HydrophobicContact CE1-CD1 4.05Å; F117-Y128 HydrophobicContact CE1-CE1 4.18Å; F117-L129 HydrophobicContact CZ-CD1 4.44Å; F117-L129 HydrophobicContact CZ-CG 4.26Å; F117-M131 HydrophobicContact CD2-CE 4.04Å; F117-M131 HydrophobicContact CD2-SD 4.18Å; F117-M131 HydrophobicContact CE2-CE 3.64Å; F117-M131 HydrophobicContact CE2-SD 3.37Å; F117-M131 WeakPolarHBondContact CE2-SD 3.47Å; F117-M131 HydrophobicContact CZ-SD 3.93Å
118T90.5Very high91.5Very high100 Ų10063.5 Ų63.561%0.61336%0.356SS*.EExtended strand (participates in β ladder)trans-129.6141.8175.150.90000110.2G116 R122G116-T118 VanDerWaalsContact C-N 3.28Å; T118-R122 WeakPolarHBondContact CA-O 3.25Å
119E85.6Confident91.4Very high75 Ų7564 Ų6435%0.3536%0.358SS..EExtended strand (participates in β ladder)trans-133109.9172.2-73.8175-166.900108.6S115 G116 N121 R122 M124 R193S115-E119 WeakPolarHBondContact CA-OE1 3.46Å; S115-E119 WeakPolarHBondContact CB-OE1 3.32Å; G116-E119 PolarHBondContact N-OE1 3.19Å; E119-N121 PolarHBondContact O-N 2.96Å; E119-R122 PolarHBondContact N-O 3.35Å; E119-R122 PolarHBondContact O-N 3.28Å; E119-M124 HydrophobicContact CB-CG 3.75Å; E119-M124 HydrophobicContact CB-SD 4.39Å; E119-M124 HydrophobicContact CG-CG 3.84Å; E119-M124 WeakPolarHBondContact OE2-CE 3.49Å; E119-R193 VanDerWaalsContact CD-NH2 3.34Å; E119-R193 IonicContact OE1-CZ 3.85Å; E119-R193 VanDerWaalsContact OE1-CZ 3.27Å; E119-R193 IonicContact OE1-NH1 2.73Å; E119-R193 PolarHBondContact OE1-NH1 2.94Å; E119-R193 IonicContact OE1-NH2 3.88Å; E119-R193 PolarHBondContact OE1-NH2 3.49Å; E119-R193 IonicContact OE2-CZ 2.77Å; E119-R193 IonicContact OE2-NH1 3.59Å; E119-R193 IonicContact OE2-NH2 3.57Å; E119-R193 PolarHBondContact OE2-NH2 3Å
120G86.2Confident91.4Very high71 Ų7159.5 Ų59.573%0.73234%0.337SS*.THydrogen-bonded Turntrans59.4-131.7-164.100000110.3R122G120-R122 VanDerWaalsContact C-N 3.31Å; G120-R122 PolarHBondContact O-N 3.3Å
121N84.3Confident91.1Very high178 Ų17859.7 Ų59.795%0.95234%0.336SS*.THydrogen-bonded Turntrans-91.815179.3-63-11.7000113.5E119E119-N121 PolarHBondContact O-N 2.96Å
122R86.4Confident90.5Very high193 Ų19363.9 Ų63.973%0.72835%0.353SS*.EExtended strand (participates in β ladder)trans-109.7127.1-175.7-67.2-178.6179.3160.30.7111.2T118 E119 G120 M124T118-R122 WeakPolarHBondContact CA-O 3.25Å; E119-R122 PolarHBondContact N-O 3.35Å; E119-R122 PolarHBondContact O-N 3.28Å; G120-R122 VanDerWaalsContact C-N 3.31Å; G120-R122 PolarHBondContact O-N 3.3Å; R122-M124 HydrophobicContact CB-SD 4.27Å; R122-M124 PolarHBondContact O-N 3.22Å
123A89.4Confident90Very high70 Ų7064.5 Ų64.558%0.57936%0.356SS*.EExtended strand (participates in β ladder)trans-71.4112.2169.100000109.7R51R51-A123 PolarHBondContact NH1-O 3.35Å
124M89Confident89.3Confident24 Ų2468.4 Ų68.412%0.11838%0.378CS..  trans-93.3-36.4-177.3-62.7-55.8-8500111.5R51 G116 F117 E119 R122 S188 R193R51-M124 PolarHBondContact NE-O 2.65Å; R51-M124 PolarHBondContact NH1-O 2.79Å; R51-M124 PolarHBondContact NH2-O 3.38Å; G116-M124 WeakPolarHBondContact O-CB 3.45Å; F117-M124 PolarHBondContact O-N 3.08Å; E119-M124 HydrophobicContact CB-CG 3.75Å; E119-M124 HydrophobicContact CB-SD 4.39Å; E119-M124 HydrophobicContact CG-CG 3.84Å; E119-M124 WeakPolarHBondContact OE2-CE 3.49Å; R122-M124 HydrophobicContact CB-SD 4.27Å; R122-M124 PolarHBondContact O-N 3.22Å; M124-S188 VanDerWaalsContact O-CA 3.29Å; M124-S188 WeakPolarHBondContact O-CA 3.48Å; M124-S188 WeakPolarHBondContact O-CB 3.32Å; M124-S188 PolarHBondContact O-OG 3.15Å; M124-S188 VanDerWaalsContact O-OG 3.05Å; M124-R193 VanDerWaalsContact CE-NH2 3.26Å
125C93.1Very high88.7Confident4 Ų468.4 Ų68.43%0.02738%0.382CS..SBendtrans-152135.5-176.6-175.20000108.5P91 M113 F117P91-C125 VanDerWaalsContact CD-SG 3.53Å; M113-C125 HydrophobicContact CE-CB 4.04Å; F117-C125 WeakPolarHBondContact CA-O 3.47Å; F117-C125 HydrophobicContact CD1-CB 4.02Å; F117-C125 WeakPolarHBondContact CD1-O 3.48Å; F117-C125 PolarHBondContact O-N 3.09Å; F117-C125 VanDerWaalsContact O-N 3.12Å
126H95.8Very high88.3Confident69 Ų6970.2 Ų70.232%0.31940%0.403SS..  trans-70.9142.6168-170-86.6000109P91 L93 Y128P91-H126 WeakPolarHBondContact O-CB 3.3Å; P91-H126 PolarHBondContact O-N 3.42Å; L93-H126 WeakPolarHBondContact CD1-NE2 3.23Å; H126-Y128 PolarHBondContact O-N 3.29Å; H126-Y128 VanDerWaalsContact O-N 3.17Å
127P94.8Very high87.6Confident60 Ų6080 Ų8039%0.3943%0.43SS..  trans-53.6120.9170-26.736.2000111.3F117F117-P127 HydrophobicContact CD1-CB 4.43Å; F117-P127 HydrophobicContact CD1-CG 4.23Å; F117-P127 VanDerWaalsContact CE1-CA 3.49Å; F117-P127 HydrophobicContact CE1-CB 4.37Å; F117-P127 HydrophobicContact CG-CG 4.38Å
128Y96.1Very high86.9Confident4 Ų481.9 Ų81.92%0.01645%0.447CS..  trans-124.92.9-179.270.6-89.6000112.4P91 F99 W100 I111 M113 F117 H126 L141 H186P91-Y128 HydrophobicContact CG-CD1 3.92Å; P91-Y128 HydrophobicContact CG-CG 3.97Å; F99-Y128 AromaticContact CD1-CD2 3.86Å; F99-Y128 HydrophobicContact CD1-CD2 3.86Å; F99-Y128 HydrophobicContact CD1-CE2 4.28Å; F99-Y128 HydrophobicContact CD1-CG 4.48Å; F99-Y128 AromaticContact CE1-CD2 3.46Å; F99-Y128 HydrophobicContact CE1-CD2 3.46Å; F99-Y128 VanDerWaalsContact CE1-CD2 3.46Å; F99-Y128 AromaticContact CE1-CE2 3.43Å; F99-Y128 HydrophobicContact CE1-CE2 3.43Å; F99-Y128 VanDerWaalsContact CE1-CE2 3.43Å; F99-Y128 HydrophobicContact CE1-CG 4.36Å; F99-Y128 HydrophobicContact CZ-CD2 4.16Å; F99-Y128 AromaticContact CZ-CE2 3.78Å; F99-Y128 HydrophobicContact CZ-CE2 3.78Å; W100-Y128 AromaticContact CE2-CD2 3.89Å; W100-Y128 AromaticContact CZ2-CD2 3.71Å; W100-Y128 HydrophobicContact CZ2-CD2 3.71Å; W100-Y128 HydrophobicContact CZ2-CE2 4.02Å; W100-Y128 WeakPolarHBondContact CZ2-O 3.41Å; W100-Y128 AromaticContact NE1-CD2 3.68Å; W100-Y128 PolarHBondContact NE1-O 3.15Å; I111-Y128 HydrophobicContact CD1-CE2 4.42Å; I111-Y128 WeakPolarHBondContact CG2-OH 3.44Å; M113-Y128 HydrophobicContact SD-CE1 3.85Å; F117-Y128 HydrophobicContact CE1-CD1 4.05Å; F117-Y128 HydrophobicContact CE1-CE1 4.18Å; H126-Y128 PolarHBondContact O-N 3.29Å; H126-Y128 VanDerWaalsContact O-N 3.17Å; Y128-L141 VanDerWaalsContact O-CD2 3.31Å; Y128-L141 WeakPolarHBondContact O-CD2 3.34Å; Y128-H186 AromaticContact CE1-CE1 3.6Å; Y128-H186 AromaticContact CE1-NE2 3.4Å; Y128-H186 WeakPolarHBondContact CE1-NE2 3.48Å; Y128-H186 AromaticContact CZ-NE2 3.36Å; Y128-H186 PolarHBondContact OH-NE2 3.16Å
129L95.1Very high86.8Confident17 Ų1778.2 Ų78.29%0.08942%0.423CS..SBendtrans-137.1156.5178.660.682.4000110.2W100 F117 M131 L164W100-L129 HydrophobicContact CZ2-CB 4.48Å; F117-L129 HydrophobicContact CZ-CD1 4.44Å; F117-L129 HydrophobicContact CZ-CG 4.26Å; L129-M131 HydrophobicContact CD1-SD 3.99Å; L129-L164 HydrophobicContact CB-CD1 4.24Å
130P93.3Very high87.1Confident6 Ų676.7 Ų76.74%0.03942%0.42CS..  trans-65.4135.2176.1-15.327.7000111.7D139 L141 V148 L150 R162P130-D139 VanDerWaalsContact CB-C 3.49Å; P130-D139 VanDerWaalsContact CB-O 3.23Å; P130-D139 WeakPolarHBondContact CB-O 3.13Å; P130-D139 WeakPolarHBondContact CG-O 3.38Å; P130-L141 HydrophobicContact CG-CB 3.97Å; P130-V148 HydrophobicContact CG-CG1 4.49Å; P130-V148 WeakPolarHBondContact CG-O 3.28Å; P130-L150 HydrophobicContact CB-CB 3.9Å; P130-L150 HydrophobicContact CG-CB 4.16Å; P130-R162 PolarHBondContact O-NH1 3.43Å
131M88.8Confident87.4Confident90 Ų9075.9 Ų75.944%0.44340%0.398SS..  trans-89.9-34.1-171.9-68.2-59.1-67.600113.6F117 L129 R162F117-M131 HydrophobicContact CD2-CE 4.04Å; F117-M131 HydrophobicContact CD2-SD 4.18Å; F117-M131 HydrophobicContact CE2-CE 3.64Å; F117-M131 HydrophobicContact CE2-SD 3.37Å; F117-M131 WeakPolarHBondContact CE2-SD 3.47Å; F117-M131 HydrophobicContact CZ-SD 3.93Å; L129-M131 HydrophobicContact CD1-SD 3.99Å; M131-R162 PolarHBondContact O-NH1 3.32Å
132K86.6Confident87.8Confident138 Ų13871.3 Ų71.360%0.638%0.38SS*.SBendtrans-119.3125.4-172.4-59-177.3177.7-179.60110.9S135 D139K132-S135 WeakPolarHBondContact CB-OG 3.31Å; K132-D139 WeakPolarHBondContact O-CA 3.48Å
133L85.7Confident87.8Confident61 Ų6163.2 Ų63.232%0.31935%0.351SS..THydrogen-bonded Turntrans-73.4148.8173.9-174.266.3000110.2S135 L150 V151 V153L133-S135 PolarHBondContact O-N 3.19Å; L133-S135 PolarHBondContact O-OG 2.9Å; L133-L150 HydrophobicContact CB-CD2 4.02Å; L133-L150 HydrophobicContact CB-CG 4.48Å; L133-L150 HydrophobicContact CD1-CD2 4.44Å; L133-L150 HydrophobicContact CD1-CG 4Å; L133-L150 WeakPolarHBondContact CD1-O 3.35Å; L133-V151 WeakPolarHBondContact CD1-O 3.44Å; L133-V153 HydrophobicContact CB-CG2 4.48Å
134N79.7Confident87.5Confident136 Ų13663.8 Ų63.873%0.72736%0.363SS*.THydrogen-bonded Turntrans53.623.8175.3-60.8-23.8000115.2G136N134-G136 VanDerWaalsContact C-N 3.3Å; N134-G136 PolarHBondContact O-N 2.89Å
135S77.8Confident87.6Confident51 Ų5164.4 Ų64.436%0.35737%0.369SS..  trans-96.636.1-177.6-64.60000112.3K132 L133 R137 C138K132-S135 WeakPolarHBondContact CB-OG 3.31Å; L133-S135 PolarHBondContact O-N 3.19Å; L133-S135 PolarHBondContact O-OG 2.9Å; S135-R137 PolarHBondContact O-N 3.25Å; S135-C138 WeakPolarHBondContact O-CB 3.43Å; S135-C138 PolarHBondContact O-N 2.93Å; S135-C138 VanDerWaalsContact O-N 3.15Å
136G74.4Confident87.6Confident52 Ų5264.5 Ų64.554%0.53637%0.369SS..G310 helixtrans56.4-126.2-175.300000111.4N134 C138 D139N134-G136 VanDerWaalsContact C-N 3.3Å; N134-G136 PolarHBondContact O-N 2.89Å; G136-C138 PolarHBondContact O-N 3.23Å; G136-D139 PolarHBondContact O-N 3.25Å
137R73.5Confident87.5Confident240 Ų24062.9 Ų62.991%0.90636%0.362SS*.G310 helixtrans-58.8-13.2179.4-66-174.1-178.6179.20.7114.8S135S135-R137 PolarHBondContact O-N 3.25Å
138C78.5Confident87.5Confident80 Ų8060 Ų6054%0.54134%0.344SS..G310 helixtrans-86.1-6.3177.8-62.70000114.2S135 G136 T140S135-C138 WeakPolarHBondContact O-CB 3.43Å; S135-C138 PolarHBondContact O-N 2.93Å; S135-C138 VanDerWaalsContact O-N 3.15Å; G136-C138 PolarHBondContact O-N 3.23Å; C138-T140 VanDerWaalsContact C-N 3.29Å
139D88.5Confident87.5Confident23 Ų2364.1 Ų64.112%0.12336%0.362CS..G310 helixtrans-81.4-10.8174.678.7-1.8000113P130 K132 G136 K149 L150P130-D139 VanDerWaalsContact CB-C 3.49Å; P130-D139 VanDerWaalsContact CB-O 3.23Å; P130-D139 WeakPolarHBondContact CB-O 3.13Å; P130-D139 WeakPolarHBondContact CG-O 3.38Å; K132-D139 WeakPolarHBondContact O-CA 3.48Å; G136-D139 PolarHBondContact O-N 3.25Å; D139-K149 CarbonylContact O-C 3.6Å; D139-K149 WeakPolarHBondContact O-CA 3.29Å; D139-K149 WeakPolarHBondContact OD2-CE 3.38Å; D139-K149 IonicContact OD2-NZ 3Å; D139-L150 PolarHBondContact O-N 3.2Å
140T91.7Very high87.5Confident44 Ų4463.3 Ų63.327%0.2736%0.358SS..EExtended strand (participates in β ladder)trans-128.8133.3-176.2-57.40000109.8C138 D147 V148 K149C138-T140 VanDerWaalsContact C-N 3.29Å; T140-D147 HydrophobicContact CG2-CB 4.28Å; T140-V148 CarbonylContact C-O 3.55Å; T140-V148 WeakPolarHBondContact CA-O 3.42Å; T140-K149 HydrophobicContact CG2-CB 4.29Å; T140-K149 WeakPolarHBondContact OG1-CG 3.16Å
141L93.2Very high87.6Confident53 Ų5366.1 Ų66.128%0.27738%0.375SS..EExtended strand (participates in β ladder)trans-115.1111.5175.9177.965.9000108.5Y128 P130 M143 V148Y128-L141 VanDerWaalsContact O-CD2 3.31Å; Y128-L141 WeakPolarHBondContact O-CD2 3.34Å; P130-L141 HydrophobicContact CG-CB 3.97Å; L141-M143 HydrophobicContact CB-CE 4.25Å; L141-M143 HydrophobicContact CD2-CE 3.26Å; L141-M143 HydrophobicContact CG-CE 3.43Å; L141-M143 VanDerWaalsContact CG-CE 3.43Å; L141-V148 PolarHBondContact N-O 3.43Å; L141-V148 PolarHBondContact O-N 3.03Å
142S91.7Very high87.8Confident83 Ų8365.9 Ų65.958%0.5837%0.372SS*.EExtended strand (participates in β ladder)trans-93.7131.6176.3-58.80000110.6F146 D147S142-F146 WeakPolarHBondContact CA-O 3.34Å; S142-D147 WeakPolarHBondContact CA-OD1 3.48Å; S142-D147 WeakPolarHBondContact CB-OD1 3.25Å; S142-D147 PolarHBondContact OG-OD1 3.45Å
143M88.3Confident88.1Confident22 Ų2261.4 Ų61.411%0.10836%0.356CS..EExtended strand (participates in β ladder)trans-14490.9-175.855.6-17275.500110.5V96 W100 L141 T145 F146 V148V96-M143 HydrophobicContact CG1-CE 3.62Å; V96-M143 HydrophobicContact CG1-SD 3.58Å; V96-M143 VanDerWaalsContact CG1-SD 3.58Å; W100-M143 HydrophobicContact CB-SD 3.81Å; W100-M143 HydrophobicContact CD2-SD 4.48Å; W100-M143 HydrophobicContact CG-CE 4.31Å; W100-M143 HydrophobicContact CG-SD 3.48Å; L141-M143 HydrophobicContact CB-CE 4.25Å; L141-M143 HydrophobicContact CD2-CE 3.26Å; L141-M143 HydrophobicContact CG-CE 3.43Å; L141-M143 VanDerWaalsContact CG-CE 3.43Å; M143-T145 PolarHBondContact O-N 2.79Å; M143-F146 HydrophobicContact CG-CB 3.92Å; M143-F146 WeakPolarHBondContact CG-O 2.76Å; M143-F146 PolarHBondContact N-O 3.5Å; M143-F146 PolarHBondContact O-N 3.19Å; M143-F146 VanDerWaalsContact O-N 3.14Å; M143-V148 HydrophobicContact CE-CG2 3.77Å; M143-V148 HydrophobicContact SD-CG2 4.32Å
144G83.1Confident88.4Confident82 Ų8262 Ų6285%0.84536%0.359SS*.THydrogen-bonded Turntrans58.6-109-174.900000110.9
145T89.4Confident88.8Confident38 Ų3859.3 Ų59.323%0.23335%0.351CS..THydrogen-bonded Turntrans-86.3-8.7-175.9580000114.4M143 C168 N169 M170M143-T145 PolarHBondContact O-N 2.79Å; T145-C168 CarbonylContact O-C 3.57Å; T145-C168 WeakPolarHBondContact O-CA 3.27Å; T145-N169 PolarHBondContact O-N 3.4Å; T145-M170 HydrophobicContact CG2-CB 4.45Å; T145-M170 HydrophobicContact CG2-CE 3.85Å; T145-M170 HydrophobicContact CG2-CG 3.75Å; T145-M170 HydrophobicContact CG2-SD 3.35Å; T145-M170 WeakPolarHBondContact CG2-SD 3.13Å
146F93.6Very high89Confident6 Ų661.3 Ų61.33%0.02636%0.355CS..EExtended strand (participates in β ladder)trans-114.2139.9-175.3-61.2-73.6000113W100 K101 W104 S142 M143 L166 R167 C168W100-F146 HydrophobicContact CB-CB 4.43Å; W100-F146 HydrophobicContact CB-CD2 4.14Å; W100-F146 HydrophobicContact CB-CG 4.29Å; K101-F146 HydrophobicContact CB-CE2 3.84Å; K101-F146 HydrophobicContact CB-CZ 4.32Å; K101-F146 HydrophobicContact CG-CE2 4.31Å; K101-F146 HydrophobicContact CG-CZ 4.48Å; W104-F146 HydrophobicContact CB-CE1 3.57Å; W104-F146 HydrophobicContact CB-CZ 3.8Å; W104-F146 HydrophobicContact CD2-CD1 4.5Å; W104-F146 AromaticContact CD2-CE1 3.7Å; W104-F146 HydrophobicContact CD2-CE1 3.7Å; W104-F146 HydrophobicContact CE3-CD1 4.41Å; W104-F146 HydrophobicContact CE3-CE1 4.04Å; W104-F146 AromaticContact CG-CE1 3.5Å; W104-F146 HydrophobicContact CG-CE1 3.5Å; W104-F146 VanDerWaalsContact CG-CE1 3.5Å; W104-F146 AromaticContact CG-CZ 3.96Å; W104-F146 HydrophobicContact CG-CZ 3.96Å; S142-F146 WeakPolarHBondContact CA-O 3.34Å; M143-F146 HydrophobicContact CG-CB 3.92Å; M143-F146 WeakPolarHBondContact CG-O 2.76Å; M143-F146 PolarHBondContact N-O 3.5Å; M143-F146 PolarHBondContact O-N 3.19Å; M143-F146 VanDerWaalsContact O-N 3.14Å; F146-L166 HydrophobicContact CB-CD1 4Å; F146-L166 HydrophobicContact CD1-CD1 3.97Å; F146-L166 HydrophobicContact CD1-CG 4.49Å; F146-L166 HydrophobicContact CG-CD1 4.26Å; F146-R167 CarbonylContact C-O 3.51Å; F146-R167 VanDerWaalsContact CA-O 3.28Å; F146-R167 WeakPolarHBondContact CA-O 3.28Å; F146-C168 HydrophobicContact CD1-CB 3.97Å; F146-C168 HydrophobicContact CE1-CB 3.75Å
147D93.9Very high89.2Confident34 Ų3464.6 Ų64.618%0.18235%0.354CS..EExtended strand (participates in β ladder)trans-113.2123.3165.6-68.2-36.8000109.7T140 S142 L166 R167 N169T140-D147 HydrophobicContact CG2-CB 4.28Å; S142-D147 WeakPolarHBondContact CA-OD1 3.48Å; S142-D147 WeakPolarHBondContact CB-OD1 3.25Å; S142-D147 PolarHBondContact OG-OD1 3.45Å; D147-L166 WeakPolarHBondContact O-CA 3.49Å; D147-R167 HydrophobicContact CB-CB 4.36Å; D147-R167 PolarHBondContact N-O 3.22Å; D147-R167 PolarHBondContact O-N 2.96Å; D147-N169 VanDerWaalsContact CG-ND2 3.35Å; D147-N169 PolarHBondContact OD2-ND2 3.4Å; D147-N169 PolarHBondContact OD2-OD1 3.4Å
148V95.7Very high89.5Confident0 Ų059.4 Ų59.40%034%0.34CS..EExtended strand (participates in β ladder)trans-109112.5175.9-174.80000107.7W100 P130 T140 L141 M143 L164 L166W100-V148 HydrophobicContact CD2-CG2 3.57Å; W100-V148 VanDerWaalsContact CE2-CG2 3.41Å; W100-V148 HydrophobicContact CE3-CG2 3.99Å; W100-V148 HydrophobicContact CG-CG2 4.06Å; W100-V148 HydrophobicContact CH2-CG1 3.64Å; W100-V148 HydrophobicContact CH2-CG2 4.07Å; W100-V148 HydrophobicContact CZ2-CB 4.23Å; W100-V148 HydrophobicContact CZ2-CG1 3.57Å; W100-V148 HydrophobicContact CZ2-CG2 3.67Å; W100-V148 HydrophobicContact CZ3-CG1 4.34Å; W100-V148 HydrophobicContact CZ3-CG2 4.21Å; P130-V148 HydrophobicContact CG-CG1 4.49Å; P130-V148 WeakPolarHBondContact CG-O 3.28Å; T140-V148 CarbonylContact C-O 3.55Å; T140-V148 WeakPolarHBondContact CA-O 3.42Å; L141-V148 PolarHBondContact N-O 3.43Å; L141-V148 PolarHBondContact O-N 3.03Å; M143-V148 HydrophobicContact CE-CG2 3.77Å; M143-V148 HydrophobicContact SD-CG2 4.32Å; V148-L164 HydrophobicContact CG1-CB 4.34Å; V148-L164 HydrophobicContact CG1-CD1 4.11Å; V148-L164 HydrophobicContact CG1-CD2 4.38Å; V148-L166 HydrophobicContact CG2-CD1 3.86Å
149K94.7Very high89.8Confident90 Ų9061.2 Ų61.239%0.39134%0.339SS..EExtended strand (participates in β ladder)trans-110.1135.4178.2175.8175.4-173.1174.50111.6D139 T140 L164 T165D139-K149 CarbonylContact O-C 3.6Å; D139-K149 WeakPolarHBondContact O-CA 3.29Å; D139-K149 WeakPolarHBondContact OD2-CE 3.38Å; D139-K149 IonicContact OD2-NZ 3Å; T140-K149 HydrophobicContact CG2-CB 4.29Å; T140-K149 WeakPolarHBondContact OG1-CG 3.16Å; K149-L164 CarbonylContact O-C 3.54Å; K149-L164 VanDerWaalsContact O-CA 3.27Å; K149-L164 WeakPolarHBondContact O-CA 3.49Å; K149-T165 WeakPolarHBondContact CB-OG1 3.37Å; K149-T165 PolarHBondContact N-O 3.22Å; K149-T165 PolarHBondContact O-N 3.48Å; K149-T165 PolarHBondContact O-OG1 3.32Å
150L96.2Very high89.8Confident1 Ų164.9 Ų64.91%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-84.7122.5174.4179.664.2000109.8P130 L133 D139 E152 V153 R162 L164P130-L150 HydrophobicContact CB-CB 3.9Å; P130-L150 HydrophobicContact CG-CB 4.16Å; L133-L150 HydrophobicContact CB-CD2 4.02Å; L133-L150 HydrophobicContact CB-CG 4.48Å; L133-L150 HydrophobicContact CD1-CD2 4.44Å; L133-L150 HydrophobicContact CD1-CG 4Å; L133-L150 WeakPolarHBondContact CD1-O 3.35Å; D139-L150 PolarHBondContact O-N 3.2Å; L150-E152 WeakPolarHBondContact CD1-O 3.28Å; L150-V153 HydrophobicContact CD1-CG2 3.79Å; L150-V153 HydrophobicContact CD2-CG2 3.72Å; L150-V153 HydrophobicContact CG-CG2 4.08Å; L150-R162 HydrophobicContact CD1-CB 3.94Å; L150-R162 HydrophobicContact CD1-CG 4.31Å; L150-L164 HydrophobicContact CB-CD2 4.15Å; L150-L164 HydrophobicContact CD1-CD2 3.65Å
151V94.7Very high89.8Confident65 Ų6566 Ų6639%0.39436%0.362SS..EExtended strand (participates in β ladder)trans-105.1-36.9-177178.40000111.5L133 K163 T165L133-V151 WeakPolarHBondContact CD1-O 3.44Å; V151-K163 HydrophobicContact CB-CB 4.41Å; V151-K163 HydrophobicContact CB-CG 4.39Å; V151-K163 HydrophobicContact CG1-CD 4.35Å; V151-K163 PolarHBondContact N-O 3.18Å; V151-T165 HydrophobicContact CG2-CG2 3.64Å
152E93.1Very high89.9Confident84 Ų8466.6 Ų66.639%0.39336%0.36SS..EExtended strand (participates in β ladder)trans-153.1145.5-173.9-166.4-179.6177.400110.4L150 I154 R162 K163L150-E152 WeakPolarHBondContact CD1-O 3.28Å; E152-I154 HydrophobicContact CG-CG1 4.31Å; E152-R162 CarbonylContact O-C 3.48Å; E152-R162 WeakPolarHBondContact O-CA 3.32Å; E152-K163 HydrophobicContact CB-CB 3.67Å; E152-K163 HydrophobicContact CB-CD 4.33Å; E152-K163 PolarHBondContact N-O 3.49Å; E152-K163 PolarHBondContact O-N 2.88Å
153V93.3Very high90.1Very high44 Ų4468.4 Ų68.427%0.26736%0.358SS..EExtended strand (participates in β ladder)trans-130.3122.4171-176.40000108.3L133 L150 V161 R162L133-V153 HydrophobicContact CB-CG2 4.48Å; L150-V153 HydrophobicContact CD1-CG2 3.79Å; L150-V153 HydrophobicContact CD2-CG2 3.72Å; L150-V153 HydrophobicContact CG-CG2 4.08Å; V153-V161 CarbonylContact C-O 3.5Å; V153-V161 WeakPolarHBondContact CA-O 3.13Å; V153-R162 HydrophobicContact CG2-CG 4.36Å
154I90.8Very high90.5Very high74 Ų7469.7 Ų69.738%0.37937%0.365SS..EExtended strand (participates in β ladder)trans-112.9108.9171.7-54.1174000107.4E152 E160 V161E152-I154 HydrophobicContact CG-CG1 4.31Å; I154-E160 WeakPolarHBondContact O-CA 3.31Å; I154-V161 HydrophobicContact CB-CB 4.34Å; I154-V161 PolarHBondContact N-O 3.32Å; I154-V161 PolarHBondContact O-N 3.42Å
155S89.3Confident91.1Very high80 Ų8069.1 Ų69.156%0.55935%0.345SS*.EExtended strand (participates in β ladder)trans-86.7120.3177.3-58.20000110.1E160S155-E160 PolarHBondContact OG-OE1 2.79Å
156H82.4Confident91.3Very high93 Ų9369.3 Ų69.343%0.43135%0.345SS..  trans-101.5169.6167.9-59.8-84.9000110H158 F159H156-H158 PolarHBondContact O-N 3.49Å; H156-H158 VanDerWaalsContact O-N 3.08Å; H156-F159 CarbonylContact C-O 3.6Å; H156-F159 WeakPolarHBondContact CA-O 3.23Å; H156-F159 HydrophobicContact CB-CD1 4.21Å; H156-F159 HydrophobicContact CB-CD2 4.44Å; H156-F159 HydrophobicContact CB-CE1 4.01Å; H156-F159 HydrophobicContact CB-CE2 4.25Å; H156-F159 HydrophobicContact CB-CG 4.42Å; H156-F159 HydrophobicContact CB-CZ 4.03Å; H156-F159 VanDerWaalsContact CB-O 3.28Å; H156-F159 WeakPolarHBondContact CB-O 3.2Å; H156-F159 AromaticContact CD2-CD2 3.85Å; H156-F159 AromaticContact CD2-CE2 3.27Å; H156-F159 WeakPolarHBondContact CD2-CE2 3.38Å; H156-F159 AromaticContact CD2-CZ 3.61Å; H156-F159 AromaticContact CG-CE2 3.88Å; H156-F159 AromaticContact CG-CZ 3.78Å; H156-F159 PolarHBondContact N-O 3.07Å; H156-F159 AromaticContact NE2-CE2 3.91Å; H156-F159 VanDerWaalsContact O-O 3.11Å
157K77.2Confident91.3Very high121 Ų12177 Ų7753%0.52637%0.373SS..SBendtrans-54.2-33.1-178.2-176.2173.5176.8160.70114.3
158H80.7Confident91.1Very high131 Ų13176 Ų7661%0.60637%0.369SS*.SBendtrans-123.9-8.6-170.8-61.8-54.7000114.4H156H156-H158 PolarHBondContact O-N 3.49Å; H156-H158 VanDerWaalsContact O-N 3.08Å
159F85.3Confident90.8Very high118 Ų11879.5 Ų79.552%0.51839%0.388SS..  trans-159.1164.3-177.563.9-86.6000110H156 V161H156-F159 CarbonylContact C-O 3.6Å; H156-F159 WeakPolarHBondContact CA-O 3.23Å; H156-F159 HydrophobicContact CB-CD1 4.21Å; H156-F159 HydrophobicContact CB-CD2 4.44Å; H156-F159 HydrophobicContact CB-CE1 4.01Å; H156-F159 HydrophobicContact CB-CE2 4.25Å; H156-F159 HydrophobicContact CB-CG 4.42Å; H156-F159 HydrophobicContact CB-CZ 4.03Å; H156-F159 VanDerWaalsContact CB-O 3.28Å; H156-F159 WeakPolarHBondContact CB-O 3.2Å; H156-F159 AromaticContact CD2-CD2 3.85Å; H156-F159 AromaticContact CD2-CE2 3.27Å; H156-F159 WeakPolarHBondContact CD2-CE2 3.38Å; H156-F159 AromaticContact CD2-CZ 3.61Å; H156-F159 AromaticContact CG-CE2 3.88Å; H156-F159 AromaticContact CG-CZ 3.78Å; H156-F159 PolarHBondContact N-O 3.07Å; H156-F159 AromaticContact NE2-CE2 3.91Å; H156-F159 VanDerWaalsContact O-O 3.11Å; F159-V161 HydrophobicContact CD2-CG2 4.04Å; F159-V161 HydrophobicContact CE2-CG2 3.7Å
160E86.9Confident90.2Very high99 Ų9981.4 Ų81.446%0.46340%0.4SS..EExtended strand (participates in β ladder)trans-118.7143173-57.1-171.3141.200109.6I154 S155 R162I154-E160 WeakPolarHBondContact O-CA 3.31Å; S155-E160 PolarHBondContact OG-OE1 2.79Å; E160-R162 IonicContact OE2-CZ 2.68Å; E160-R162 IonicContact OE2-NE 2.72Å; E160-R162 IonicContact OE2-NH2 3.35Å; E160-R162 PolarHBondContact OE2-NH2 3.42Å
161V93.1Very high89.2Confident69 Ų6987.8 Ų87.842%0.41843%0.428SS..EExtended strand (participates in β ladder)trans-103.4123.8170-177.20000107.7V153 I154 F159V153-V161 CarbonylContact C-O 3.5Å; V153-V161 WeakPolarHBondContact CA-O 3.13Å; I154-V161 HydrophobicContact CB-CB 4.34Å; I154-V161 PolarHBondContact N-O 3.32Å; I154-V161 PolarHBondContact O-N 3.42Å; F159-V161 HydrophobicContact CD2-CG2 4.04Å; F159-V161 HydrophobicContact CE2-CG2 3.7Å
162R94.9Very high88.2Confident64 Ų6492.9 Ų92.924%0.24245%0.447CS..EExtended strand (participates in β ladder)trans-114.6118.5179.1-63.9-176.7176.3-109.9-11109.2P130 M131 L150 E152 V153 E160 L164P130-R162 PolarHBondContact O-NH1 3.43Å; M131-R162 PolarHBondContact O-NH1 3.32Å; L150-R162 HydrophobicContact CD1-CB 3.94Å; L150-R162 HydrophobicContact CD1-CG 4.31Å; E152-R162 CarbonylContact O-C 3.48Å; E152-R162 WeakPolarHBondContact O-CA 3.32Å; V153-R162 HydrophobicContact CG2-CG 4.36Å; E160-R162 IonicContact OE2-CZ 2.68Å; E160-R162 IonicContact OE2-NE 2.72Å; E160-R162 IonicContact OE2-NH2 3.35Å; E160-R162 PolarHBondContact OE2-NH2 3.42Å; R162-L164 HydrophobicContact CB-CD2 4.43Å
163K96.5Very high87.2Confident121 Ų12192.5 Ų92.553%0.52644%0.442SS..EExtended strand (participates in β ladder)trans-85.5119.6172.4-168.3175.9-178.41760108.7V151 E152V151-K163 HydrophobicContact CB-CB 4.41Å; V151-K163 HydrophobicContact CB-CG 4.39Å; V151-K163 HydrophobicContact CG1-CD 4.35Å; V151-K163 PolarHBondContact N-O 3.18Å; E152-K163 HydrophobicContact CB-CB 3.67Å; E152-K163 HydrophobicContact CB-CD 4.33Å; E152-K163 PolarHBondContact N-O 3.49Å; E152-K163 PolarHBondContact O-N 2.88Å
164L96.4Very high86.1Confident49 Ų4998.1 Ų98.126%0.25747%0.465SS..EExtended strand (participates in β ladder)trans-116.5144.5-177.7-56.2177.3000110.1W100 L129 V148 K149 L150 R162W100-L164 HydrophobicContact CH2-CD1 3.73Å; W100-L164 HydrophobicContact CZ2-CD1 4.31Å; L129-L164 HydrophobicContact CB-CD1 4.24Å; V148-L164 HydrophobicContact CG1-CB 4.34Å; V148-L164 HydrophobicContact CG1-CD1 4.11Å; V148-L164 HydrophobicContact CG1-CD2 4.38Å; K149-L164 CarbonylContact O-C 3.54Å; K149-L164 VanDerWaalsContact O-CA 3.27Å; K149-L164 WeakPolarHBondContact O-CA 3.49Å; L150-L164 HydrophobicContact CB-CD2 4.15Å; L150-L164 HydrophobicContact CD1-CD2 3.65Å; R162-L164 HydrophobicContact CB-CD2 4.43Å
165T94.6Very high85Confident71 Ų71101.1 Ų101.144%0.43649%0.486SS..EExtended strand (participates in β ladder)trans-108.5123.6164.3510000108.7K149 V151K149-T165 WeakPolarHBondContact CB-OG1 3.37Å; K149-T165 PolarHBondContact N-O 3.22Å; K149-T165 PolarHBondContact O-N 3.48Å; K149-T165 PolarHBondContact O-OG1 3.32Å; V151-T165 HydrophobicContact CG2-CG2 3.64Å
166L94.5Very high83.8Confident42 Ų4299.8 Ų99.822%0.2248%0.477CS..EExtended strand (participates in β ladder)trans-103124.7175.7177.764.3000109.1W100 V103 W104 F146 D147 V148W100-L166 HydrophobicContact CD2-CD1 4.22Å; W100-L166 HydrophobicContact CE3-CD1 3.64Å; W100-L166 HydrophobicContact CE3-CD2 3.79Å; W100-L166 HydrophobicContact CE3-CG 4.25Å; W100-L166 HydrophobicContact CZ3-CD1 4.22Å; W100-L166 HydrophobicContact CZ3-CD2 4.2Å; V103-L166 HydrophobicContact CG1-CD2 3.86Å; W104-L166 HydrophobicContact CB-CD2 4.22Å; W104-L166 HydrophobicContact CE3-CD2 3.78Å; W104-L166 HydrophobicContact CE3-CG 3.87Å; W104-L166 HydrophobicContact CZ3-CG 4.3Å; F146-L166 HydrophobicContact CB-CD1 4Å; F146-L166 HydrophobicContact CD1-CD1 3.97Å; F146-L166 HydrophobicContact CD1-CG 4.49Å; F146-L166 HydrophobicContact CG-CD1 4.26Å; D147-L166 WeakPolarHBondContact O-CA 3.49Å; V148-L166 HydrophobicContact CG2-CD1 3.86Å
167R92.8Very high83Confident167 Ų167101 Ų10163%0.6350%0.496SS*.EExtended strand (participates in β ladder)trans-119.1134.3175.2174.1-178166.6154.44109.4F146 D147 N169F146-R167 CarbonylContact C-O 3.51Å; F146-R167 VanDerWaalsContact CA-O 3.28Å; F146-R167 WeakPolarHBondContact CA-O 3.28Å; D147-R167 HydrophobicContact CB-CB 4.36Å; D147-R167 PolarHBondContact N-O 3.22Å; D147-R167 PolarHBondContact O-N 2.96Å; R167-N169 PolarHBondContact NE-OD1 3.37Å
168C90.8Very high82.6Confident14 Ų1498.5 Ų98.510%0.09551%0.505CS..EExtended strand (participates in β ladder)trans-96.4126.5165.5-176.20000108.9W104 T145 F146 F171W104-C168 HydrophobicContact CD2-CB 4.04Å; W104-C168 HydrophobicContact CE3-CB 4.13Å; W104-C168 HydrophobicContact CH2-CB 3.34Å; W104-C168 HydrophobicContact CZ2-CB 3.22Å; W104-C168 HydrophobicContact CZ3-CB 3.82Å; T145-C168 CarbonylContact O-C 3.57Å; T145-C168 WeakPolarHBondContact O-CA 3.27Å; F146-C168 HydrophobicContact CD1-CB 3.97Å; F146-C168 HydrophobicContact CE1-CB 3.75Å; C168-F171 WeakPolarHBondContact CB-O 3.42Å; C168-F171 PolarHBondContact SG-N 3.39Å
169N87.9Confident82.2Confident72 Ų72102.3 Ų102.339%0.38551%0.514SS..SBendtrans-84.5-13.6-177.3-69.6-29000113.2T145 D147 R167T145-N169 PolarHBondContact O-N 3.4Å; D147-N169 VanDerWaalsContact CG-ND2 3.35Å; D147-N169 PolarHBondContact OD2-ND2 3.4Å; D147-N169 PolarHBondContact OD2-OD1 3.4Å; R167-N169 PolarHBondContact NE-OD1 3.37Å
170M83Confident82.1Confident131 Ų131103.1 Ų103.165%0.64552%0.517SS*.SBendtrans-102.3-30.6179.8-72.4-167170.100113.9T145T145-M170 HydrophobicContact CG2-CB 4.45Å; T145-M170 HydrophobicContact CG2-CE 3.85Å; T145-M170 HydrophobicContact CG2-CG 3.75Å; T145-M170 HydrophobicContact CG2-SD 3.35Å; T145-M170 WeakPolarHBondContact CG2-SD 3.13Å
171F75.4Confident82.3Confident135 Ų13599.2 Ų99.259%0.59250%0.503SS*.SBendtrans-139.4142.5-172.1-54.8-70.7000111.6C168C168-F171 WeakPolarHBondContact CB-O 3.42Å; C168-F171 PolarHBondContact SG-N 3.39Å
172H74.3Confident82.4Confident172 Ų17296.3 Ų96.380%0.79649%0.486SS*.PPolyproline II helixtrans-69.8139.2165.6-162.7-84.6000109.2Q174H172-Q174 PolarHBondContact O-N 3.16Å
173R71.9Confident82.5Confident75 Ų7594.4 Ų94.428%0.28348%0.482SS..PPolyproline II helixtrans-64.3126.8173.1-158.1164.6170-162.3-13.5107.3W104 H107 V175W104-R173 HydrophobicContact CD2-CG 4.36Å; W104-R173 HydrophobicContact CH2-CB 3.52Å; W104-R173 HydrophobicContact CH2-CG 4.1Å; W104-R173 VanDerWaalsContact CZ2-CA 3.4Å; W104-R173 HydrophobicContact CZ2-CB 3.36Å; W104-R173 HydrophobicContact CZ2-CG 3.81Å; W104-R173 HydrophobicContact CZ3-CB 4.27Å; W104-R173 HydrophobicContact CZ3-CG 4.47Å; H107-R173 PolarHBondContact ND1-NE 2.9Å; H107-R173 PolarHBondContact ND1-NH2 3.03Å; H107-R173 PolarHBondContact O-NH2 3.45Å; R173-V175 PolarHBondContact O-N 3.31Å
174Q69.5Low82.6Confident163 Ų16388.7 Ų88.776%0.76246%0.456SS*.PPolyproline II helixtrans-57.6136.3168.9-68.9-172.8-12.300108.3H172 S176H172-Q174 PolarHBondContact O-N 3.16Å; Q174-S176 PolarHBondContact O-N 2.91Å; Q174-S176 VanDerWaalsContact O-N 3.14Å
175V66.7Low82.6Confident136 Ų13686.3 Ų86.382%0.82444%0.444SS*.PPolyproline II helixtrans-56.3121.5176.8177.90000107R173R173-V175 PolarHBondContact O-N 3.31Å
176S64.4Low82.7Confident52 Ų5283 Ų8336%0.36442%0.424SS..PPolyproline II helixtrans-61.1146176.155.60000108.7Q174 G178Q174-S176 PolarHBondContact O-N 2.91Å; Q174-S176 VanDerWaalsContact O-N 3.14Å; S176-G178 PolarHBondContact O-N 2.98Å
177S66.6Low82.5Confident119 Ų11981.1 Ų81.183%0.83241%0.414SS*.  trans-66.924.9176.253.50000113.7R179S177-R179 PolarHBondContact O-N 3.37Å
178G69.1Low82.5Confident69 Ų6973.4 Ų73.471%0.71139%0.386SS*.SBendtrans77.7-9.2-170.300000114.1S176S176-G178 PolarHBondContact O-N 2.98Å
179R70.7Confident82.2Confident210 Ų21073.4 Ų73.479%0.79239%0.387SS*.PPolyproline II helixtrans-81.9130.7176.3-129-179-169177.62.7110.7S177S177-R179 PolarHBondContact O-N 3.37Å
180K84.2Confident82Confident136 Ų13670 Ų7059%0.59137%0.368SS*.PPolyproline II helixtrans-72.7137.9169.9-61.6-169170.1-143.70109.2E109E109-K180 WeakPolarHBondContact OE2-CD 3.33Å; E109-K180 WeakPolarHBondContact OE2-CE 2.77Å; E109-K180 IonicContact OE2-NZ 3.13Å; E109-K180 PolarHBondContact OE2-NZ 3.38Å
181G91.5Very high81.9Confident16 Ų1665 Ų6517%0.16535%0.345CS..PPolyproline II helixtrans-71.2170.2171.200000112.7E106 H107E106-G181 VanDerWaalsContact O-CA 3.28Å; E106-G181 WeakPolarHBondContact O-CA 3.03Å; H107-G181 WeakPolarHBondContact O-CA 3.29Å; H107-G181 PolarHBondContact O-N 3.42Å
182P95.6Very high82.2Confident8 Ų859.4 Ų59.45%0.05233%0.326CS..PPolyproline II helixtrans-58.3152.5178.121.3-33.3000112.7Y75 D84 I86 E106 C108Y75-P182 HydrophobicContact CE1-CG 4.41Å; D84-P182 WeakPolarHBondContact O-CA 3.49Å; I86-P182 HydrophobicContact CD1-CB 4.17Å; I86-P182 HydrophobicContact CD1-CG 3.41Å; I86-P182 VanDerWaalsContact CD1-CG 3.41Å; I86-P182 HydrophobicContact CG1-CB 3.88Å; I86-P182 HydrophobicContact CG1-CG 3.65Å; E106-P182 HydrophobicContact CB-CG 4.3Å; E106-P182 WeakPolarHBondContact O-CD 3.21Å; C108-P182 WeakPolarHBondContact CB-O 3.33Å; C108-P182 PolarHBondContact SG-O 2.9Å
183T96.4Very high82.6Confident25 Ų2554.9 Ų54.915%0.15330%0.302CS..EExtended strand (participates in β ladder)trans-81123.4169.2-640000109.7D84 L85 I86 N110 I112 V185D84-T183 PolarHBondContact O-N 2.96Å; L85-T183 VanDerWaalsContact CA-O 3.3Å; L85-T183 WeakPolarHBondContact CA-O 3.36Å; L85-T183 HydrophobicContact CD2-CG2 4.38Å; I86-T183 PolarHBondContact N-O 3.29Å; N110-T183 HydrophobicContact CB-CG2 3.84Å; I112-T183 HydrophobicContact CD1-CG2 3.77Å; I112-T183 HydrophobicContact CG1-CG2 3.88Å; T183-V185 HydrophobicContact CG2-CG2 4.22Å
184V98.5Very high83.1Confident0 Ų051.3 Ų51.30%029%0.288CS..EExtended strand (participates in β ladder)trans-76.8129.8175.2-178.90000108.8I86 T88 F99 M102 V103 C108 N110 I111 I112I86-V184 HydrophobicContact CB-CG2 4.41Å; I86-V184 CarbonylContact O-C 3.55Å; I86-V184 WeakPolarHBondContact O-CA 3.37Å; T88-V184 HydrophobicContact CG2-CG1 3.78Å; F99-V184 HydrophobicContact CE2-CG1 3.91Å; F99-V184 HydrophobicContact CZ-CG1 4.14Å; M102-V184 HydrophobicContact CE-CG1 4.01Å; M102-V184 HydrophobicContact CE-CG2 4.06Å; V103-V184 HydrophobicContact CG2-CG2 4.19Å; C108-V184 HydrophobicContact CB-CG2 3.85Å; C108-V184 VanDerWaalsContact SG-CG2 3.54Å; N110-V184 PolarHBondContact O-N 2.98Å; I111-V184 CarbonylContact C-O 3.48Å; I111-V184 WeakPolarHBondContact CA-O 3.31Å; I111-V184 HydrophobicContact CG1-CB 4.25Å; I111-V184 HydrophobicContact CG2-CB 4.44Å; I111-V184 HydrophobicContact CG2-CG1 4.44Å; I112-V184 PolarHBondContact N-O 3.48Å
185V96.8Very high83.6Confident0 Ų043.7 Ų43.70%025%0.253CS..EExtended strand (participates in β ladder)trans-127.9119.8176.3-172.90000108.8L85 I86 L87 T88 I112 L114 T183 F197L85-V185 HydrophobicContact CD1-CG2 4.43Å; L85-V185 HydrophobicContact CD2-CG2 4.1Å; I86-V185 PolarHBondContact O-N 3.03Å; L87-V185 WeakPolarHBondContact CA-O 3.36Å; L87-V185 HydrophobicContact CD2-CB 3.65Å; L87-V185 HydrophobicContact CD2-CG1 4.27Å; L87-V185 HydrophobicContact CD2-CG2 4.29Å; T88-V185 PolarHBondContact N-O 2.86Å; I112-V185 HydrophobicContact CB-CB 4.46Å; I112-V185 HydrophobicContact CB-CG1 4.21Å; I112-V185 HydrophobicContact CB-CG2 4.18Å; I112-V185 HydrophobicContact CD1-CG2 4.25Å; I112-V185 HydrophobicContact CG2-CG1 4.29Å; I112-V185 WeakPolarHBondContact O-CA 3.3Å; L114-V185 HydrophobicContact CD1-CG1 3.71Å; L114-V185 HydrophobicContact CG-CG1 4.33Å; T183-V185 HydrophobicContact CG2-CG2 4.22Å; V185-F197 HydrophobicContact CB-CD1 4.45Å; V185-F197 HydrophobicContact CG1-CB 4.25Å; V185-F197 HydrophobicContact CG1-CD1 3.8Å; V185-F197 HydrophobicContact CG1-CG 4.16Å; V185-F197 HydrophobicContact CG2-CD1 3.88Å; V185-F197 HydrophobicContact CG2-CE1 3.92Å
186H97.1Very high84.2Confident0 Ų038.5 Ų38.50%022%0.223CC..EExtended strand (participates in β ladder)trans-134.7161.417982.489.8000112T88 I112 M113 L114 Y128 S194T88-H186 HydrophobicContact CG2-CB 3.72Å; T88-H186 WeakPolarHBondContact O-CA 3.25Å; T88-H186 WeakPolarHBondContact O-CB 3.36Å; I112-H186 PolarHBondContact O-N 2.7Å; M113-H186 WeakPolarHBondContact CB-NE2 3.25Å; M113-H186 VanDerWaalsContact CG-CE1 3.47Å; M113-H186 WeakPolarHBondContact CG-CE1 3.38Å; L114-H186 PolarHBondContact N-O 2.93Å; Y128-H186 AromaticContact CE1-CE1 3.6Å; Y128-H186 AromaticContact CE1-NE2 3.4Å; Y128-H186 WeakPolarHBondContact CE1-NE2 3.48Å; Y128-H186 AromaticContact CZ-NE2 3.36Å; Y128-H186 PolarHBondContact OH-NE2 3.16Å; H186-S194 VanDerWaalsContact C-OG 3.24Å; H186-S194 WeakPolarHBondContact CA-OG 3.27Å
187C89.7Confident85.1Confident4 Ų438.7 Ų38.73%0.02722%0.218CC..  trans-136.1-120.5167.958.80000107.4G90 L114 S115 G190 R193 S194G90-C187 VanDerWaalsContact CA-O 3.24Å; G90-C187 WeakPolarHBondContact CA-O 3.42Å; G90-C187 PolarHBondContact N-O 3.13Å; L114-C187 HydrophobicContact CB-CB 4.15Å; S115-C187 VanDerWaalsContact OG-C 3.23Å; S115-C187 WeakPolarHBondContact OG-CA 3.47Å; S115-C187 PolarHBondContact OG-O 2.72Å; C187-G190 PolarHBondContact SG-N 2.91Å; C187-R193 HydrophobicContact CB-CB 4Å; C187-S194 PolarHBondContact N-OG 2.81Å; C187-S194 PolarHBondContact SG-OG 3.08Å
188S91.6Very high85.8Confident5 Ų533 Ų334%0.03518%0.178CC..SBendtrans-90.9-69.3168.5-177.60000111.9R51 Y52 Q89 G90 M124R51-S188 VanDerWaalsContact CD-O 3.3Å; R51-S188 WeakPolarHBondContact CD-O 3.35Å; R51-S188 PolarHBondContact NE-O 3.35Å; Y52-S188 PolarHBondContact OH-OG 3.05Å; Y52-S188 VanDerWaalsContact OH-OG 3.11Å; Q89-S188 CarbonylContact C-O 3.55Å; Q89-S188 WeakPolarHBondContact CA-O 3.37Å; G90-S188 PolarHBondContact N-O 3.4Å; M124-S188 VanDerWaalsContact O-CA 3.29Å; M124-S188 WeakPolarHBondContact O-CA 3.48Å; M124-S188 WeakPolarHBondContact O-CB 3.32Å; M124-S188 PolarHBondContact O-OG 3.15Å; M124-S188 VanDerWaalsContact O-OG 3.05Å
189A86.1Confident86.1Confident13 Ų1329.8 Ų29.811%0.10714%0.144CC..SBendtrans-83.3-9.9179.400000114Y52 V55 V191Y52-A189 HydrophobicContact CD2-CB 3.61Å; Y52-A189 HydrophobicContact CE2-CB 3.51Å; V55-A189 HydrophobicContact CG1-CB 4.37Å; V55-A189 HydrophobicContact CG2-CB 4.47Å; A189-V191 HydrophobicContact CB-CG2 3.84Å; A189-V191 PolarHBondContact O-N 3.11Å
190G83.7Confident86.5Confident0 Ų023 Ų230%012%0.123CC..SBendtrans75.2-1.4-174.800000115.9T88 C187 S194T88-G190 WeakPolarHBondContact O-CA 3.5Å; C187-G190 PolarHBondContact SG-N 2.91Å; G190-S194 VanDerWaalsContact O-CB 3.3Å; G190-S194 WeakPolarHBondContact O-CB 3.33Å
191V81Confident86.3Confident26 Ų2620 Ų2016%0.15811%0.109CC..SBendtrans-112.2-27.8-173.7-61.10000115.9V55 A189 W372V55-V191 HydrophobicContact CG1-CG1 3.48Å; V55-V191 VanDerWaalsContact CG1-CG1 3.48Å; V55-V191 HydrophobicContact CG1-CG2 4.23Å; A189-V191 HydrophobicContact CB-CG2 3.84Å; A189-V191 PolarHBondContact O-N 3.11Å; V191-W372 HydrophobicContact CB-CE3 4.25Å; V191-W372 HydrophobicContact CB-CZ3 4.39Å; V191-W372 HydrophobicContact CG1-CD2 3.67Å; V191-W372 HydrophobicContact CG1-CE3 3.14Å; V191-W372 HydrophobicContact CG1-CH2 3.33Å; V191-W372 HydrophobicContact CG1-CZ2 3.85Å; V191-W372 HydrophobicContact CG1-CZ3 2.99Å
192G80.1Confident85.7Confident18 Ų1819.3 Ų19.319%0.18610%0.101CC..SBendtrans-83.8-85.3-174.700000110.8S194 G195 S196G192-S194 VanDerWaalsContact C-N 3.33Å; G192-S194 PolarHBondContact O-N 3.07Å; G192-G195 PolarHBondContact O-N 3Å; G192-S196 PolarHBondContact O-N 3.38Å; G192-S196 PolarHBondContact O-OG 2.85Å; G192-S196 VanDerWaalsContact O-OG 3.09Å
193R82.8Confident84.7Confident77 Ų7720.6 Ų20.629%0.29111%0.11SC..Hα-helixtrans-63.4-37.4179.6-69.9175.8-80.8-165.5-16.2112.7L114 S115 E119 M124 C187 S196 F197L114-R193 HydrophobicContact CB-CB 4.01Å; L114-R193 HydrophobicContact CD1-CB 4.12Å; L114-R193 WeakPolarHBondContact CD1-O 3.3Å; L114-R193 VanDerWaalsContact O-CD 3.26Å; L114-R193 WeakPolarHBondContact O-CD 3.42Å; L114-R193 VanDerWaalsContact O-CZ 3.27Å; L114-R193 PolarHBondContact O-NE 2.8Å; L114-R193 PolarHBondContact O-NH1 3.27Å; S115-R193 VanDerWaalsContact CB-CZ 3.44Å; S115-R193 VanDerWaalsContact CB-NH2 3.25Å; E119-R193 VanDerWaalsContact CD-NH2 3.34Å; E119-R193 IonicContact OE1-CZ 3.85Å; E119-R193 VanDerWaalsContact OE1-CZ 3.27Å; E119-R193 IonicContact OE1-NH1 2.73Å; E119-R193 PolarHBondContact OE1-NH1 2.94Å; E119-R193 IonicContact OE1-NH2 3.88Å; E119-R193 PolarHBondContact OE1-NH2 3.49Å; E119-R193 IonicContact OE2-CZ 2.77Å; E119-R193 IonicContact OE2-NH1 3.59Å; E119-R193 IonicContact OE2-NH2 3.57Å; E119-R193 PolarHBondContact OE2-NH2 3Å; M124-R193 VanDerWaalsContact CE-NH2 3.26Å; C187-R193 HydrophobicContact CB-CB 4Å; R193-S196 CarbonylContact O-C 3.59Å; R193-S196 WeakPolarHBondContact O-CA 3.37Å; R193-S196 VanDerWaalsContact O-CB 3.29Å; R193-S196 WeakPolarHBondContact O-CB 3.42Å; R193-S196 PolarHBondContact O-N 3.41Å; R193-S196 VanDerWaalsContact O-N 3.14Å; R193-F197 WeakPolarHBondContact O-CB 3.44Å; R193-F197 PolarHBondContact O-N 3.15Å
194S83.2Confident83.6Confident0 Ų022.1 Ų22.10%012%0.116CC..Hα-helixtrans-68.3-44.6178.5-39.50000111.8H186 C187 G190 G192 S196 F197 A198H186-S194 VanDerWaalsContact C-OG 3.24Å; H186-S194 WeakPolarHBondContact CA-OG 3.27Å; C187-S194 PolarHBondContact N-OG 2.81Å; C187-S194 PolarHBondContact SG-OG 3.08Å; G190-S194 VanDerWaalsContact O-CB 3.3Å; G190-S194 WeakPolarHBondContact O-CB 3.33Å; G192-S194 VanDerWaalsContact C-N 3.33Å; G192-S194 PolarHBondContact O-N 3.07Å; S194-S196 PolarHBondContact O-N 3.06Å; S194-F197 PolarHBondContact O-N 3.08Å; S194-A198 WeakPolarHBondContact O-CB 3.43Å; S194-A198 PolarHBondContact O-N 3.29Å
195G79.8Confident82.4Confident3 Ų324.4 Ų24.43%0.03113%0.126CC..Hα-helixtrans-56.6-40.8168.100000110.8G192 F197 A198 V199 M360G192-G195 PolarHBondContact O-N 3Å; G195-F197 PolarHBondContact O-N 2.87Å; G195-A198 PolarHBondContact O-N 2.82Å; G195-V199 PolarHBondContact O-N 3Å; G195-M360 WeakPolarHBondContact O-CE 3.4Å
196S79.1Confident80.9Confident27 Ų2728.9 Ų28.919%0.18915%0.148CC..Hα-helixtrans-54.9-51.3174.9-63.60000114.7G192 R193 S194 I200 M360G192-S196 PolarHBondContact O-N 3.38Å; G192-S196 PolarHBondContact O-OG 2.85Å; G192-S196 VanDerWaalsContact O-OG 3.09Å; R193-S196 CarbonylContact O-C 3.59Å; R193-S196 WeakPolarHBondContact O-CA 3.37Å; R193-S196 VanDerWaalsContact O-CB 3.29Å; R193-S196 WeakPolarHBondContact O-CB 3.42Å; R193-S196 PolarHBondContact O-N 3.41Å; R193-S196 VanDerWaalsContact O-N 3.14Å; S194-S196 PolarHBondContact O-N 3.06Å; S196-I200 WeakPolarHBondContact O-CD1 3.33Å; S196-I200 VanDerWaalsContact O-CG1 3.28Å; S196-I200 WeakPolarHBondContact O-CG1 3.26Å; S196-I200 PolarHBondContact O-N 2.83Å; S196-M360 VanDerWaalsContact CA-CG 3.49Å; S196-M360 WeakPolarHBondContact CA-SD 3.39Å; S196-M360 WeakPolarHBondContact O-CE 3.4Å; S196-M360 WeakPolarHBondContact OG-CG 3.27Å; S196-M360 PolarHBondContact OG-SD 2.78Å
197F84.8Confident79.2Confident57 Ų5731.8 Ų31.825%0.2516%0.164CC..Hα-helixtrans-62.7-47.8176.8179.3-88.2000111.6I112 L114 V185 R193 S194 G195 V199 I200 Y201I112-F197 HydrophobicContact CD1-CE1 3.63Å; I112-F197 HydrophobicContact CD1-CE2 4.01Å; I112-F197 HydrophobicContact CD1-CZ 3.29Å; L114-F197 HydrophobicContact CD1-CB 3.57Å; L114-F197 HydrophobicContact CD1-CG 4.16Å; L114-F197 HydrophobicContact CD2-CD2 4.44Å; V185-F197 HydrophobicContact CB-CD1 4.45Å; V185-F197 HydrophobicContact CG1-CB 4.25Å; V185-F197 HydrophobicContact CG1-CD1 3.8Å; V185-F197 HydrophobicContact CG1-CG 4.16Å; V185-F197 HydrophobicContact CG2-CD1 3.88Å; V185-F197 HydrophobicContact CG2-CE1 3.92Å; R193-F197 WeakPolarHBondContact O-CB 3.44Å; R193-F197 PolarHBondContact O-N 3.15Å; S194-F197 PolarHBondContact O-N 3.08Å; G195-F197 PolarHBondContact O-N 2.87Å; F197-V199 VanDerWaalsContact C-N 3.28Å; F197-V199 PolarHBondContact O-N 3.16Å; F197-I200 PolarHBondContact O-N 3.27Å; F197-Y201 HydrophobicContact CE1-CD1 4Å; F197-Y201 HydrophobicContact CE1-CG 4.11Å; F197-Y201 HydrophobicContact CZ-CD1 4.36Å; F197-Y201 HydrophobicContact CZ-CG 4.18Å; F197-Y201 WeakPolarHBondContact O-CB 3.5Å; F197-Y201 PolarHBondContact O-N 3.23Å
198A80.8Confident77.7Confident0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-55.5-44.2-175.200000112.1V76 L85 L87 S194 G195 G202V76-A198 HydrophobicContact CG1-CB 4.19Å; L85-A198 HydrophobicContact CD1-CB 3.76Å; L87-A198 HydrophobicContact CD1-CB 4.01Å; L87-A198 HydrophobicContact CD2-CB 4.22Å; S194-A198 WeakPolarHBondContact O-CB 3.43Å; S194-A198 PolarHBondContact O-N 3.29Å; G195-A198 PolarHBondContact O-N 2.82Å; A198-G202 PolarHBondContact O-N 3.25Å
199V75.9Confident75.8Confident0 Ų037.8 Ų37.80%019%0.191CC..Hα-helixtrans-75.4-44.4179.5-168.60000112.8G195 F197 Y201 G202 C203 M360 L363 L364G195-V199 PolarHBondContact O-N 3Å; F197-V199 VanDerWaalsContact C-N 3.28Å; F197-V199 PolarHBondContact O-N 3.16Å; V199-Y201 PolarHBondContact O-N 3.24Å; V199-G202 CarbonylContact O-C 3.59Å; V199-G202 PolarHBondContact O-N 3.26Å; V199-G202 VanDerWaalsContact O-N 3.1Å; V199-C203 PolarHBondContact O-N 3.45Å; V199-C203 PolarHBondContact O-SG 3.3Å; V199-C203 VanDerWaalsContact O-SG 3.32Å; V199-M360 HydrophobicContact CB-CE 3.26Å; V199-M360 HydrophobicContact CG1-CE 4.33Å; V199-M360 HydrophobicContact CG2-CE 3.19Å; V199-L363 HydrophobicContact CB-CB 3.95Å; V199-L363 HydrophobicContact CB-CD1 4.45Å; V199-L363 HydrophobicContact CG1-CB 3.04Å; V199-L363 HydrophobicContact CG1-CD1 3.97Å; V199-L363 HydrophobicContact CG1-CG 4.06Å; V199-L363 HydrophobicContact CG2-CB 4.11Å; V199-L364 HydrophobicContact CG2-CB 4.3Å; V199-L364 HydrophobicContact CG2-CD1 4.4Å; V199-L364 HydrophobicContact CG2-CD2 3.45Å; V199-L364 VanDerWaalsContact CG2-CD2 3.45Å; V199-L364 HydrophobicContact CG2-CG 3.38Å
200I77.9Confident74.1Confident67 Ų6739.6 Ų39.634%0.34420%0.201SC..Hα-helixtrans-57-44179-68.1168.3000109.1S196 F197 C203 I204 L334S196-I200 WeakPolarHBondContact O-CD1 3.33Å; S196-I200 VanDerWaalsContact O-CG1 3.28Å; S196-I200 WeakPolarHBondContact O-CG1 3.26Å; S196-I200 PolarHBondContact O-N 2.83Å; F197-I200 PolarHBondContact O-N 3.27Å; I200-C203 PolarHBondContact O-N 2.83Å; I200-I204 HydrophobicContact CG2-CD1 3.97Å; I200-I204 VanDerWaalsContact O-CG1 3.23Å; I200-I204 WeakPolarHBondContact O-CG1 3.34Å; I200-I204 PolarHBondContact O-N 3.09Å; I200-L334 HydrophobicContact CG1-CD2 4.49Å
201Y80.6Confident72.3Confident75 Ų7544.3 Ų44.329%0.29423%0.232SC..Hα-helixtrans-66.1-41.7177.1-170.6-132.9000112.3L83 L85 F197 V199 I204 K205L83-Y201 HydrophobicContact CD1-CD1 3.18Å; L83-Y201 HydrophobicContact CD1-CE1 3.54Å; L83-Y201 HydrophobicContact CD1-CG 4.05Å; L85-Y201 HydrophobicContact CD1-CD1 4.39Å; L85-Y201 HydrophobicContact CD2-CD1 4.15Å; L85-Y201 HydrophobicContact CD2-CE1 4.19Å; F197-Y201 HydrophobicContact CE1-CD1 4Å; F197-Y201 HydrophobicContact CE1-CG 4.11Å; F197-Y201 HydrophobicContact CZ-CD1 4.36Å; F197-Y201 HydrophobicContact CZ-CG 4.18Å; F197-Y201 WeakPolarHBondContact O-CB 3.5Å; F197-Y201 PolarHBondContact O-N 3.23Å; V199-Y201 PolarHBondContact O-N 3.24Å; Y201-I204 WeakPolarHBondContact O-CB 3.36Å; Y201-I204 PolarHBondContact O-N 3.22Å; Y201-K205 HydrophobicContact CE2-CD 4.45Å; Y201-K205 HydrophobicContact CE2-CG 4.35Å; Y201-K205 VanDerWaalsContact CZ-CE 3.46Å; Y201-K205 WeakPolarHBondContact O-CG 3.4Å; Y201-K205 PolarHBondContact O-N 3.02Å; Y201-K205 WeakPolarHBondContact OH-CE 3.4Å
202G78.5Confident70.5Confident0 Ų049.6 Ų49.60%026%0.255CS..Hα-helixtrans-59.5-45.4172.800000113.3A198 V199 I204 K205 M206A198-G202 PolarHBondContact O-N 3.25Å; V199-G202 CarbonylContact O-C 3.59Å; V199-G202 PolarHBondContact O-N 3.26Å; V199-G202 VanDerWaalsContact O-N 3.1Å; G202-I204 VanDerWaalsContact C-N 3.33Å; G202-I204 PolarHBondContact O-N 3.34Å; G202-K205 WeakPolarHBondContact O-CB 3.3Å; G202-K205 PolarHBondContact O-N 3.46Å; G202-K205 VanDerWaalsContact O-N 3.16Å; G202-M206 WeakPolarHBondContact O-CG 3.42Å; G202-M206 PolarHBondContact O-N 3.19Å
203C73.7Confident68.9Low36 Ų3650.2 Ų50.224%0.24325%0.253CS..Hα-helixtrans-59.2-45.7173.7-67.10000111V199 I200 K205 M206 L207V199-C203 PolarHBondContact O-N 3.45Å; V199-C203 PolarHBondContact O-SG 3.3Å; V199-C203 VanDerWaalsContact O-SG 3.32Å; I200-C203 PolarHBondContact O-N 2.83Å; C203-K205 VanDerWaalsContact C-N 3.31Å; C203-K205 PolarHBondContact O-N 3.1Å; C203-M206 PolarHBondContact O-N 2.85Å; C203-L207 HydrophobicContact CB-CD1 4.35Å; C203-L207 WeakPolarHBondContact O-CB 3.04Å; C203-L207 WeakPolarHBondContact O-CD1 3.38Å; C203-L207 WeakPolarHBondContact O-CG 3.32Å; C203-L207 PolarHBondContact O-N 3.17Å
204I74.3Confident67.1Low56 Ų5651.2 Ų51.229%0.28726%0.263SS..Hα-helixtrans-56.9-45.3175-72.2169.6000110.5I200 Y201 G202 M206 L207 I208I200-I204 HydrophobicContact CG2-CD1 3.97Å; I200-I204 VanDerWaalsContact O-CG1 3.23Å; I200-I204 WeakPolarHBondContact O-CG1 3.34Å; I200-I204 PolarHBondContact O-N 3.09Å; Y201-I204 WeakPolarHBondContact O-CB 3.36Å; Y201-I204 PolarHBondContact O-N 3.22Å; G202-I204 VanDerWaalsContact C-N 3.33Å; G202-I204 PolarHBondContact O-N 3.34Å; I204-M206 PolarHBondContact O-N 3.14Å; I204-L207 PolarHBondContact O-N 2.85Å; I204-I208 HydrophobicContact CG2-CD1 3.39Å; I204-I208 HydrophobicContact CG2-CG1 4.15Å; I204-I208 VanDerWaalsContact O-CB 3.3Å; I204-I208 WeakPolarHBondContact O-CB 3.35Å; I204-I208 VanDerWaalsContact O-CG1 3.32Å; I204-I208 WeakPolarHBondContact O-CG1 3.44Å; I204-I208 PolarHBondContact O-N 3.03Å
205K72.6Confident65.2Low49 Ų4959.1 Ų59.121%0.21329%0.293CS..Hα-helixtrans-65.4-35.1176.9-71.8-62.4-157.3151.30113.9T81 D82 L83 Y201 G202 C203 L207T81-K205 HydrophobicContact CG2-CB 4.35Å; D82-K205 VanDerWaalsContact OD1-CD 3.23Å; D82-K205 WeakPolarHBondContact OD1-CD 3.31Å; D82-K205 VanDerWaalsContact OD1-CE 3.31Å; D82-K205 WeakPolarHBondContact OD1-CE 3.42Å; D82-K205 IonicContact OD1-NZ 2.7Å; D82-K205 PolarHBondContact OD1-NZ 2.77Å; D82-K205 IonicContact OD2-NZ 3.03Å; D82-K205 PolarHBondContact OD2-NZ 3.48Å; L83-K205 HydrophobicContact CD1-CG 4.32Å; Y201-K205 HydrophobicContact CE2-CD 4.45Å; Y201-K205 HydrophobicContact CE2-CG 4.35Å; Y201-K205 VanDerWaalsContact CZ-CE 3.46Å; Y201-K205 WeakPolarHBondContact O-CG 3.4Å; Y201-K205 PolarHBondContact O-N 3.02Å; Y201-K205 WeakPolarHBondContact OH-CE 3.4Å; G202-K205 WeakPolarHBondContact O-CB 3.3Å; G202-K205 PolarHBondContact O-N 3.46Å; G202-K205 VanDerWaalsContact O-N 3.16Å; C203-K205 VanDerWaalsContact C-N 3.31Å; C203-K205 PolarHBondContact O-N 3.1Å; K205-L207 VanDerWaalsContact C-N 3.27Å; K205-L207 PolarHBondContact O-N 2.99Å
206M67Low63.5Low94 Ų9461.2 Ų61.246%0.46330%0.302SS..Hα-helixtrans-66.7-32.9173.5-69.5178.976.400112.1L78 T81 G202 C203 I204 A367L78-M206 HydrophobicContact CD2-CG 3.67Å; L78-M206 HydrophobicContact CD2-SD 3.8Å; T81-M206 HydrophobicContact CG2-CB 4.36Å; T81-M206 HydrophobicContact CG2-CG 3.51Å; G202-M206 WeakPolarHBondContact O-CG 3.42Å; G202-M206 PolarHBondContact O-N 3.19Å; C203-M206 PolarHBondContact O-N 2.85Å; I204-M206 PolarHBondContact O-N 3.14Å; M206-A367 HydrophobicContact SD-CB 4.24Å
207L60.8Low61.8Low61 Ų6160.8 Ų60.832%0.31930%0.298SS..Hα-helixtrans-91.8-33.2-171.7-67.9158.6000112.4C203 I204 K205 L326 I330C203-L207 HydrophobicContact CB-CD1 4.35Å; C203-L207 WeakPolarHBondContact O-CB 3.04Å; C203-L207 WeakPolarHBondContact O-CD1 3.38Å; C203-L207 WeakPolarHBondContact O-CG 3.32Å; C203-L207 PolarHBondContact O-N 3.17Å; I204-L207 PolarHBondContact O-N 2.85Å; K205-L207 VanDerWaalsContact C-N 3.27Å; K205-L207 PolarHBondContact O-N 2.99Å; L207-L326 HydrophobicContact CD2-CD2 4.45Å; L207-I330 HydrophobicContact CB-CD1 4.09Å; L207-I330 HydrophobicContact CD1-CD1 3.15Å; L207-I330 HydrophobicContact CD1-CG1 3.54Å; L207-I330 HydrophobicContact CD2-CD1 3.93Å; L207-I330 HydrophobicContact CG-CD1 3.87Å
208I58.2Low60Low29 Ų2965.7 Ų65.715%0.14932%0.315CS..  trans-97.9102.8179-58.6179.7000108.8I204 T210 Q213 L214 C217I204-I208 HydrophobicContact CG2-CD1 3.39Å; I204-I208 HydrophobicContact CG2-CG1 4.15Å; I204-I208 VanDerWaalsContact O-CB 3.3Å; I204-I208 WeakPolarHBondContact O-CB 3.35Å; I204-I208 VanDerWaalsContact O-CG1 3.32Å; I204-I208 WeakPolarHBondContact O-CG1 3.44Å; I204-I208 PolarHBondContact O-N 3.03Å; I208-T210 WeakPolarHBondContact CG2-O 3.3Å; I208-Q213 HydrophobicContact CB-CB 4.49Å; I208-Q213 HydrophobicContact CG1-CB 4.45Å; I208-Q213 HydrophobicContact CG2-CB 4.06Å; I208-L214 HydrophobicContact CD1-CB 4.36Å; I208-L214 HydrophobicContact CD1-CD1 3.66Å; I208-L214 HydrophobicContact CG2-CB 3.89Å; I208-C217 HydrophobicContact CD1-CB 4.24Å; I208-C217 WeakPolarHBondContact CD1-SG 3.42Å
209Q50.4Low58.2Low106 Ų10669 Ų6950%0.49533%0.333SS..  trans-104.3-11.5171-56.2-153.1-36.500112.8K315Q209-K315 VanDerWaalsContact CD-NZ 3.32Å
210T50.2Low56.8Low50 Ų5069.8 Ų69.831%0.30734%0.339SS..SBendtrans-129.4150178.9710000113.2I208 Q212 Q213 L214I208-T210 WeakPolarHBondContact CG2-O 3.3Å; T210-Q212 PolarHBondContact O-N 3.36Å; T210-Q213 WeakPolarHBondContact O-CB 3.39Å; T210-Q213 PolarHBondContact O-N 3.12Å; T210-Q213 VanDerWaalsContact O-N 3.11Å; T210-Q213 VanDerWaalsContact OG1-CG 3.3Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.27Å; T210-Q213 PolarHBondContact OG1-N 3.17Å; T210-Q213 PolarHBondContact OG1-OE1 3.35Å; T210-L214 PolarHBondContact O-N 2.82Å
211P46.4Very low55.3Low100 Ų10070.4 Ų70.465%0.64934%0.343SS*.Hα-helixtrans-57.6-30.9174.3-26.235000114Q213 L214 R215P211-Q213 VanDerWaalsContact C-N 3.34Å; P211-L214 WeakPolarHBondContact O-CB 3.47Å; P211-L214 PolarHBondContact O-N 3.21Å; P211-R215 PolarHBondContact O-N 2.79Å
212Q43.3Very low53.5Low137 Ų13770.4 Ų70.464%0.6435%0.347SS*.Hα-helixtrans-64.2-41.3176.1-65.979.72.700111T210 L214 R215 F216T210-Q212 PolarHBondContact O-N 3.36Å; Q212-L214 VanDerWaalsContact C-N 3.34Å; Q212-L214 PolarHBondContact O-N 3.39Å; Q212-R215 PolarHBondContact O-N 3.13Å; Q212-F216 WeakPolarHBondContact O-CB 3.2Å; Q212-F216 PolarHBondContact O-N 2.72Å
213Q46.1Very low51.9Low30 Ų3074.1 Ų74.114%0.1437%0.373CS..Hα-helixtrans-60.8-45.2173.2-70.7165.3-20.300110I208 T210 P211 R215 F216 C217I208-Q213 HydrophobicContact CB-CB 4.49Å; I208-Q213 HydrophobicContact CG1-CB 4.45Å; I208-Q213 HydrophobicContact CG2-CB 4.06Å; T210-Q213 WeakPolarHBondContact O-CB 3.39Å; T210-Q213 PolarHBondContact O-N 3.12Å; T210-Q213 VanDerWaalsContact O-N 3.11Å; T210-Q213 VanDerWaalsContact OG1-CG 3.3Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.27Å; T210-Q213 PolarHBondContact OG1-N 3.17Å; T210-Q213 PolarHBondContact OG1-OE1 3.35Å; P211-Q213 VanDerWaalsContact C-N 3.34Å; Q213-R215 PolarHBondContact O-N 3.43Å; Q213-F216 PolarHBondContact O-N 3.24Å; Q213-C217 WeakPolarHBondContact O-CB 2.98Å; Q213-C217 PolarHBondContact O-N 3.47Å; Q213-C217 PolarHBondContact O-SG 3Å
214L46.4Very low50.5Low99 Ų9973.6 Ų73.652%0.51837%0.372SS..Hα-helixtrans-61.3-44.3177.2-173.866.6000113.9I208 T210 P211 Q212 C217 W218I208-L214 HydrophobicContact CD1-CB 4.36Å; I208-L214 HydrophobicContact CD1-CD1 3.66Å; I208-L214 HydrophobicContact CG2-CB 3.89Å; T210-L214 PolarHBondContact O-N 2.82Å; P211-L214 WeakPolarHBondContact O-CB 3.47Å; P211-L214 PolarHBondContact O-N 3.21Å; Q212-L214 VanDerWaalsContact C-N 3.34Å; Q212-L214 PolarHBondContact O-N 3.39Å; L214-C217 VanDerWaalsContact O-CB 3.32Å; L214-C217 WeakPolarHBondContact O-CB 3.46Å; L214-C217 PolarHBondContact O-N 2.74Å; L214-C217 VanDerWaalsContact O-N 3.16Å; L214-W218 PolarHBondContact O-N 3.39Å
215R42.5Very low48.9Very low165 Ų16572.8 Ų72.862%0.62337%0.369SS*.Hα-helixtrans-63.3-45.5178.8-176.565.1-174.8-93.81.7110.9P211 Q212 Q213 C217 W218 D219P211-R215 PolarHBondContact O-N 2.79Å; Q212-R215 PolarHBondContact O-N 3.13Å; Q213-R215 PolarHBondContact O-N 3.43Å; R215-C217 PolarHBondContact O-N 3.43Å; R215-W218 PolarHBondContact O-N 2.99Å; R215-D219 IonicContact NE-OD1 2.97Å; R215-D219 PolarHBondContact NE-OD1 2.71Å; R215-D219 IonicContact NE-OD2 3.61Å; R215-D219 VanDerWaalsContact O-CG 3.26Å; R215-D219 PolarHBondContact O-N 2.85Å
216F44.9Very low47.3Very low48 Ų4873.5 Ų73.521%0.21138%0.38CS..Hα-helixtrans-58.2-40173-173.3-107.3000111.6Q212 Q213 W218 D219 A220 D324 F327 Y328Q212-F216 WeakPolarHBondContact O-CB 3.2Å; Q212-F216 PolarHBondContact O-N 2.72Å; Q213-F216 PolarHBondContact O-N 3.24Å; F216-W218 VanDerWaalsContact C-N 3.31Å; F216-W218 PolarHBondContact O-N 2.76Å; F216-D219 PolarHBondContact O-N 3.01Å; F216-A220 WeakPolarHBondContact O-CB 3.43Å; F216-A220 PolarHBondContact O-N 2.94Å; F216-A220 VanDerWaalsContact O-N 3.13Å; F216-D324 HydrophobicContact CD1-CB 4.2Å; F216-D324 HydrophobicContact CE1-CB 3.68Å; F216-D324 HydrophobicContact CE2-CB 4.34Å; F216-D324 HydrophobicContact CZ-CB 3.77Å; F216-F327 HydrophobicContact CD1-CB 3.88Å; F216-F327 AromaticContact CD1-CD1 3.32Å; F216-F327 HydrophobicContact CD1-CD1 3.32Å; F216-F327 HydrophobicContact CD1-CE1 4.2Å; F216-F327 AromaticContact CD1-CG 3.78Å; F216-F327 HydrophobicContact CD1-CG 3.78Å; F216-F327 HydrophobicContact CE1-CB 3.85Å; F216-F327 AromaticContact CE1-CD1 3.4Å; F216-F327 HydrophobicContact CE1-CD1 3.4Å; F216-F327 VanDerWaalsContact CE1-CD1 3.4Å; F216-F327 HydrophobicContact CE1-CE1 4.41Å; F216-F327 HydrophobicContact CE1-CG 4.01Å; F216-F327 HydrophobicContact CG-CD1 4.48Å; F216-Y328 HydrophobicContact CE1-CD2 4.43Å; F216-Y328 HydrophobicContact CE1-CE2 4.13Å; F216-Y328 HydrophobicContact CZ-CD2 4.23Å; F216-Y328 HydrophobicContact CZ-CE1 4.49Å; F216-Y328 AromaticContact CZ-CE2 3.5Å; F216-Y328 HydrophobicContact CZ-CE2 3.5Å; F216-Y328 AromaticContact CZ-CZ 3.63Å
217C43.7Very low46.4Very low17 Ų1771.9 Ų71.912%0.11538%0.377CS..Hα-helixtrans-59.6-45178.3-63.10000113.1I208 Q213 L214 R215 L221 F327I208-C217 HydrophobicContact CD1-CB 4.24Å; I208-C217 WeakPolarHBondContact CD1-SG 3.42Å; Q213-C217 WeakPolarHBondContact O-CB 2.98Å; Q213-C217 PolarHBondContact O-N 3.47Å; Q213-C217 PolarHBondContact O-SG 3Å; L214-C217 VanDerWaalsContact O-CB 3.32Å; L214-C217 WeakPolarHBondContact O-CB 3.46Å; L214-C217 PolarHBondContact O-N 2.74Å; L214-C217 VanDerWaalsContact O-N 3.16Å; R215-C217 PolarHBondContact O-N 3.43Å; C217-L221 PolarHBondContact O-N 3.46Å; C217-F327 HydrophobicContact CB-CD2 4.09Å; C217-F327 HydrophobicContact CB-CE1 4.11Å; C217-F327 HydrophobicContact CB-CE2 3.41Å; C217-F327 VanDerWaalsContact CB-CE2 3.41Å; C217-F327 HydrophobicContact CB-CZ 3.41Å; C217-F327 VanDerWaalsContact CB-CZ 3.41Å; C217-F327 WeakPolarHBondContact O-CZ 3.29Å; C217-F327 WeakPolarHBondContact SG-CD2 3.34Å; C217-F327 WeakPolarHBondContact SG-CE2 3.35Å
218W45.5Very low45.6Very low160 Ų16074.3 Ų74.361%0.60639%0.39SS*.Hα-helixtrans-70.5-45.1-178.4-171.2-102.9000112.1L214 R215 F216 A220 L221 I222L214-W218 PolarHBondContact O-N 3.39Å; R215-W218 PolarHBondContact O-N 2.99Å; F216-W218 VanDerWaalsContact C-N 3.31Å; F216-W218 PolarHBondContact O-N 2.76Å; W218-A220 VanDerWaalsContact C-N 3.31Å; W218-A220 PolarHBondContact O-N 3.2Å; W218-L221 WeakPolarHBondContact O-CB 3.44Å; W218-L221 PolarHBondContact O-N 2.9Å; W218-L221 VanDerWaalsContact O-N 3.11Å; W218-I222 PolarHBondContact O-N 3.42Å
219D43.9Very low44.8Very low71 Ų7180 Ų8038%0.3841%0.414SS..Hα-helixtrans-63.5-38-178.8-67.8-19.5000111.6R215 F216 I222 S223R215-D219 IonicContact NE-OD1 2.97Å; R215-D219 PolarHBondContact NE-OD1 2.71Å; R215-D219 IonicContact NE-OD2 3.61Å; R215-D219 VanDerWaalsContact O-CG 3.26Å; R215-D219 PolarHBondContact O-N 2.85Å; F216-D219 PolarHBondContact O-N 3.01Å; D219-I222 PolarHBondContact O-N 2.83Å; D219-S223 WeakPolarHBondContact O-CB 3.43Å; D219-S223 PolarHBondContact O-N 3.26Å
220A47Very low44.2Very low15 Ų1577.1 Ų77.112%0.12440%0.399CS..Hα-helixtrans-70.9-31.6175.200000113.2F216 W218 S223 A224 F327 L331F216-A220 WeakPolarHBondContact O-CB 3.43Å; F216-A220 PolarHBondContact O-N 2.94Å; F216-A220 VanDerWaalsContact O-N 3.13Å; W218-A220 VanDerWaalsContact C-N 3.31Å; W218-A220 PolarHBondContact O-N 3.2Å; A220-S223 PolarHBondContact O-N 2.97Å; A220-A224 VanDerWaalsContact O-CB 3.29Å; A220-A224 WeakPolarHBondContact O-CB 3.46Å; A220-A224 PolarHBondContact O-N 2.67Å; A220-F327 HydrophobicContact CB-CD1 4.46Å; A220-F327 HydrophobicContact CB-CE1 3.68Å; A220-L331 HydrophobicContact CB-CD1 3.34Å
221L45.1Very low43.9Very low80 Ų8078.1 Ų78.142%0.41940%0.397SS..Hα-helixtrans-69.1-39.7172.7-166.7140.6000111.2C217 W218 T225 L331C217-L221 PolarHBondContact O-N 3.46Å; W218-L221 WeakPolarHBondContact O-CB 3.44Å; W218-L221 PolarHBondContact O-N 2.9Å; W218-L221 VanDerWaalsContact O-N 3.11Å; L221-T225 WeakPolarHBondContact O-CG2 3.4Å; L221-T225 PolarHBondContact O-N 3.44Å; L221-T225 PolarHBondContact O-OG1 3.42Å; L221-L331 HydrophobicContact CB-CD2 4.45Å; L221-L331 HydrophobicContact CD1-CD2 4.31Å
222I43.7Very low43.5Very low75 Ų7578 Ų7839%0.38540%0.397SS..Hα-helixtrans-62.2-46.7170.3-68.3175.4000110.6W218 D219 A224 T225 S226W218-I222 PolarHBondContact O-N 3.42Å; D219-I222 PolarHBondContact O-N 2.83Å; I222-A224 PolarHBondContact O-N 2.74Å; I222-T225 WeakPolarHBondContact CA-OG1 3.44Å; I222-T225 PolarHBondContact O-N 3.37Å; I222-T225 PolarHBondContact O-OG1 2.88Å; I222-S226 VanDerWaalsContact O-CB 3.29Å; I222-S226 WeakPolarHBondContact O-CB 3.48Å; I222-S226 PolarHBondContact O-N 2.88Å; I222-S226 PolarHBondContact O-OG 3.48Å
223S45.4Very low43.3Very low79 Ų7974.1 Ų74.155%0.55239%0.389SS*.Hα-helixtrans-60.6-44.7178.8-177.50000111.9D219 A220 T225 S226 C227D219-S223 WeakPolarHBondContact O-CB 3.43Å; D219-S223 PolarHBondContact O-N 3.26Å; A220-S223 PolarHBondContact O-N 2.97Å; S223-T225 VanDerWaalsContact C-N 3.33Å; S223-T225 PolarHBondContact O-N 2.94Å; S223-S226 PolarHBondContact O-N 3.23Å; S223-C227 PolarHBondContact O-N 3.48Å
224A43.5Very low42.6Very low25 Ų2575.3 Ų75.321%0.20739%0.393CS..Hα-helixtrans-62.6-36.9176.600000112.7A220 I222 W230 F335A220-A224 VanDerWaalsContact O-CB 3.29Å; A220-A224 WeakPolarHBondContact O-CB 3.46Å; A220-A224 PolarHBondContact O-N 2.67Å; I222-A224 PolarHBondContact O-N 2.74Å; A224-W230 WeakPolarHBondContact O-CB 3.37Å; A224-W230 VanDerWaalsContact O-CG 3.28Å; A224-F335 HydrophobicContact CB-CE1 4.16Å; A224-F335 HydrophobicContact CB-CZ 3.97Å
225T39.7Very low42Very low39 Ų3973.3 Ų73.324%0.23940%0.397CS..Hα-helixtrans-79-22.9176.952.50000113.5L221 I222 S223 R231 F234L221-T225 WeakPolarHBondContact O-CG2 3.4Å; L221-T225 PolarHBondContact O-N 3.44Å; L221-T225 PolarHBondContact O-OG1 3.42Å; I222-T225 WeakPolarHBondContact CA-OG1 3.44Å; I222-T225 PolarHBondContact O-N 3.37Å; I222-T225 PolarHBondContact O-OG1 2.88Å; S223-T225 VanDerWaalsContact C-N 3.33Å; S223-T225 PolarHBondContact O-N 2.94Å; T225-R231 WeakPolarHBondContact O-CG 3.46Å; T225-F234 HydrophobicContact CG2-CD2 4.39Å; T225-F234 HydrophobicContact CG2-CE2 4.06Å; T225-F234 HydrophobicContact CG2-CZ 4.33Å
226S40.4Very low41.7Very low63 Ų6366.9 Ų66.944%0.44138%0.375SS..Hα-helixtrans-83.3-21.1-179.8-58.40000113.7I222 S223I222-S226 VanDerWaalsContact O-CB 3.29Å; I222-S226 WeakPolarHBondContact O-CB 3.48Å; I222-S226 PolarHBondContact O-N 2.88Å; I222-S226 PolarHBondContact O-OG 3.48Å; S223-S226 PolarHBondContact O-N 3.23Å
227C47.2Very low41.1Very low60 Ų6069.6 Ų69.641%0.40540%0.397SS..SBendtrans-65.4131176.3172.70000111.8S223 K229 W230 R231S223-C227 PolarHBondContact O-N 3.48Å; C227-K229 PolarHBondContact O-N 3.26Å; C227-K229 VanDerWaalsContact O-N 3.12Å; C227-W230 WeakPolarHBondContact O-CA 3.29Å; C227-W230 PolarHBondContact O-N 3.44Å; C227-R231 PolarHBondContact O-N 2.96Å
228L43.7Very low41.2Very low113 Ų11370.6 Ų70.659%0.59240%0.401SS*.Hα-helixtrans-48.9-41.5-178.6-102.599.4000113.3W230 R231L228-W230 PolarHBondContact O-N 3.19Å; L228-W230 VanDerWaalsContact O-N 3.13Å; L228-R231 PolarHBondContact O-N 3.45Å
229K42.2Very low41Very low149 Ų14968.1 Ų68.165%0.64841%0.406SS*.Hα-helixtrans-61.2-23.2179.5-162.7171.6-170.9168.80113.2C227C227-K229 PolarHBondContact O-N 3.26Å; C227-K229 VanDerWaalsContact O-N 3.12Å
230W38.5Very low41Very low45 Ų4568.9 Ų68.917%0.1742%0.417CS..Hα-helixtrans-104.7-29.5-176.1-66.1106.4000113A224 C227 L228 C232 A233 F234 F335 K339A224-W230 WeakPolarHBondContact O-CB 3.37Å; A224-W230 VanDerWaalsContact O-CG 3.28Å; C227-W230 WeakPolarHBondContact O-CA 3.29Å; C227-W230 PolarHBondContact O-N 3.44Å; L228-W230 PolarHBondContact O-N 3.19Å; L228-W230 VanDerWaalsContact O-N 3.13Å; W230-C232 VanDerWaalsContact C-N 3.26Å; W230-C232 PolarHBondContact O-N 3.16Å; W230-A233 HydrophobicContact CE3-CB 4.19Å; W230-A233 PolarHBondContact O-N 3.37Å; W230-F234 HydrophobicContact CB-CD2 4.36Å; W230-F234 HydrophobicContact CB-CE2 4.47Å; W230-F234 HydrophobicContact CE3-CE2 4.42Å; W230-F234 VanDerWaalsContact O-CD2 3.25Å; W230-F234 WeakPolarHBondContact O-CD2 3.24Å; W230-F234 PolarHBondContact O-N 2.84Å; W230-F335 HydrophobicContact CB-CZ 4.35Å; W230-F335 HydrophobicContact CD2-CD1 4.05Å; W230-F335 AromaticContact CD2-CE1 3.07Å; W230-F335 HydrophobicContact CD2-CE1 3.07Å; W230-F335 HydrophobicContact CD2-CE2 4.23Å; W230-F335 AromaticContact CD2-CZ 3.14Å; W230-F335 HydrophobicContact CD2-CZ 3.14Å; W230-F335 AromaticContact CE2-CD1 3.65Å; W230-F335 AromaticContact CE2-CE1 2.92Å; W230-F335 AromaticContact CE2-CZ 3.59Å; W230-F335 AromaticContact CE3-CD1 3.95Å; W230-F335 HydrophobicContact CE3-CD1 3.95Å; W230-F335 HydrophobicContact CE3-CD2 4.4Å; W230-F335 AromaticContact CE3-CE1 3.23Å; W230-F335 HydrophobicContact CE3-CE1 3.23Å; W230-F335 AromaticContact CE3-CE2 3.69Å; W230-F335 HydrophobicContact CE3-CE2 3.69Å; W230-F335 HydrophobicContact CE3-CG 4.48Å; W230-F335 AromaticContact CE3-CZ 3.01Å; W230-F335 HydrophobicContact CE3-CZ 3.01Å; W230-F335 AromaticContact CG-CE1 3.84Å; W230-F335 HydrophobicContact CG-CE1 3.84Å; W230-F335 AromaticContact CG-CZ 3.71Å; W230-F335 HydrophobicContact CG-CZ 3.71Å; W230-F335 HydrophobicContact CH2-CB 4.46Å; W230-F335 AromaticContact CH2-CD1 2.94Å; W230-F335 HydrophobicContact CH2-CD1 2.94Å; W230-F335 HydrophobicContact CH2-CD2 4.26Å; W230-F335 AromaticContact CH2-CE1 3.08Å; W230-F335 HydrophobicContact CH2-CE1 3.08Å; W230-F335 HydrophobicContact CH2-CE2 4.29Å; W230-F335 AromaticContact CH2-CG 3.6Å; W230-F335 HydrophobicContact CH2-CG 3.6Å; W230-F335 AromaticContact CH2-CZ 3.75Å; W230-F335 HydrophobicContact CH2-CZ 3.75Å; W230-F335 AromaticContact CZ2-CD1 3.11Å; W230-F335 HydrophobicContact CZ2-CD1 3.11Å; W230-F335 AromaticContact CZ2-CE1 2.97Å; W230-F335 HydrophobicContact CZ2-CE1 2.97Å; W230-F335 HydrophobicContact CZ2-CG 4.2Å; W230-F335 AromaticContact CZ2-CZ 3.9Å; W230-F335 HydrophobicContact CZ2-CZ 3.9Å; W230-F335 AromaticContact CZ3-CD1 3.4Å; W230-F335 HydrophobicContact CZ3-CD1 3.4Å; W230-F335 VanDerWaalsContact CZ3-CD1 3.4Å; W230-F335 AromaticContact CZ3-CD2 3.94Å; W230-F335 HydrophobicContact CZ3-CD2 3.94Å; W230-F335 AromaticContact CZ3-CE1 3.22Å; W230-F335 HydrophobicContact CZ3-CE1 3.22Å; W230-F335 AromaticContact CZ3-CE2 3.7Å; W230-F335 HydrophobicContact CZ3-CE2 3.7Å; W230-F335 AromaticContact CZ3-CG 3.77Å; W230-F335 HydrophobicContact CZ3-CG 3.77Å; W230-F335 AromaticContact CZ3-CZ 3.32Å; W230-F335 HydrophobicContact CZ3-CZ 3.32Å; W230-F335 AromaticContact NE1-CE1 3.54Å; W230-K339 HydrophobicContact CH2-CB 4.32Å; W230-K339 HydrophobicContact CH2-CD 3.61Å; W230-K339 HydrophobicContact CH2-CG 4.47Å; W230-K339 HydrophobicContact CZ2-CD 4.3Å; W230-K339 HydrophobicContact CZ3-CB 4.41Å; W230-K339 HydrophobicContact CZ3-CD 4.14Å
231R42Very low40.4Very low71 Ų7173.2 Ų73.227%0.26844%0.442SS..Hα-helixtrans-51.2-46.9170.6-69.4-176.683.7119.3-2.3111.3T225 C227 L228 A233 F234 G235 I236T225-R231 WeakPolarHBondContact O-CG 3.46Å; C227-R231 PolarHBondContact O-N 2.96Å; L228-R231 PolarHBondContact O-N 3.45Å; R231-A233 PolarHBondContact O-N 3.37Å; R231-F234 PolarHBondContact O-N 3.14Å; R231-G235 PolarHBondContact O-N 3.04Å; R231-I236 CarbonylContact C-O 3.48Å; R231-I236 HydrophobicContact CB-CB 3.99Å; R231-I236 HydrophobicContact CG-CB 4.32Å; R231-I236 HydrophobicContact CG-CG2 4.42Å; R231-I236 PolarHBondContact O-N 3.13Å
232C39.5Very low39.7Very low96 Ų9674 Ų7465%0.64945%0.454SS*.G310 helixtrans-61.6-39.5174.4-61.80000113.5W230 F234 G235W230-C232 VanDerWaalsContact C-N 3.26Å; W230-C232 PolarHBondContact O-N 3.16Å; C232-F234 VanDerWaalsContact C-N 3.28Å; C232-F234 PolarHBondContact O-N 3.33Å; C232-G235 PolarHBondContact O-N 3.31Å
233A38.6Very low38.9Very low57 Ų5775.7 Ų75.747%0.47147%0.472SS..G310 helixtrans-72.8-18.8-179.500000113.9W230 R231W230-A233 HydrophobicContact CE3-CB 4.19Å; W230-A233 PolarHBondContact O-N 3.37Å; R231-A233 PolarHBondContact O-N 3.37Å
234F30.9Very low37.9Very low54 Ų5480 Ų8024%0.23749%0.489CS..G310 helixtrans-101.83.4175.7-77.3-77.1000113.3T225 W230 R231 C232 I236 F335 K338T225-F234 HydrophobicContact CG2-CD2 4.39Å; T225-F234 HydrophobicContact CG2-CE2 4.06Å; T225-F234 HydrophobicContact CG2-CZ 4.33Å; W230-F234 HydrophobicContact CB-CD2 4.36Å; W230-F234 HydrophobicContact CB-CE2 4.47Å; W230-F234 HydrophobicContact CE3-CE2 4.42Å; W230-F234 VanDerWaalsContact O-CD2 3.25Å; W230-F234 WeakPolarHBondContact O-CD2 3.24Å; W230-F234 PolarHBondContact O-N 2.84Å; R231-F234 PolarHBondContact O-N 3.14Å; C232-F234 VanDerWaalsContact C-N 3.28Å; C232-F234 PolarHBondContact O-N 3.33Å; F234-I236 VanDerWaalsContact C-N 3.26Å; F234-I236 HydrophobicContact CB-CD1 4.07Å; F234-I236 HydrophobicContact CB-CG1 3.7Å; F234-I236 PolarHBondContact O-N 2.98Å; F234-F335 AromaticContact CE2-CE2 3.67Å; F234-F335 HydrophobicContact CE2-CE2 3.67Å; F234-F335 AromaticContact CE2-CZ 3.94Å; F234-F335 HydrophobicContact CE2-CZ 3.94Å; F234-F335 AromaticContact CZ-CE2 3.73Å; F234-F335 HydrophobicContact CZ-CE2 3.73Å; F234-F335 HydrophobicContact CZ-CZ 4.45Å; F234-K338 HydrophobicContact CE1-CD 4.29Å; F234-K338 HydrophobicContact CZ-CD 4.5Å
235G33.8Very low37Very low58 Ų5882.3 Ų82.360%0.59852%0.515SS*.THydrogen-bonded Turntrans62.633.6-174.700000112.6R231 C232 P237R231-G235 PolarHBondContact O-N 3.04Å; C232-G235 PolarHBondContact O-N 3.31Å; G235-P237 WeakPolarHBondContact O-CD 3.02Å
236I36.3Very low36.2Very low30 Ų3089.5 Ų89.515%0.15455%0.546CS..  trans-92.3114.1172.4-43.5-162000107.2R231 F234R231-I236 CarbonylContact C-O 3.48Å; R231-I236 HydrophobicContact CB-CB 3.99Å; R231-I236 HydrophobicContact CG-CB 4.32Å; R231-I236 HydrophobicContact CG-CG2 4.42Å; R231-I236 PolarHBondContact O-N 3.13Å; F234-I236 VanDerWaalsContact C-N 3.26Å; F234-I236 HydrophobicContact CB-CD1 4.07Å; F234-I236 HydrophobicContact CB-CG1 3.7Å; F234-I236 PolarHBondContact O-N 2.98Å
237P33.5Very low35.5Very low105 Ų10591.6 Ų91.668%0.68257%0.567SS**  trans-57.7141.8178-22.832.7000111.6G235G235-P237 WeakPolarHBondContact O-CD 3.02Å
238D45.1Very low34.4Very low37 Ų3793.9 Ų93.920%0.19858%0.584CS.*  trans-79.2125.5176.4-161.16.1000108.9S240 T241D238-S240 PolarHBondContact O-N 2.63Å; D238-S240 VanDerWaalsContact O-N 3.15Å; D238-T241 HydrophobicContact CB-CG2 4.28Å; D238-T241 PolarHBondContact O-N 2.9Å
239P40.8Very low33.3Very low109 Ų10998.3 Ų98.371%0.70860%0.599SS**THydrogen-bonded Turntrans-63.3-16.7-178.920.4-31.2000114.3
240S43.7Very low32.6Very low86 Ų8695.6 Ų95.660%0.60160%0.604SS**THydrogen-bonded Turntrans-97.3-6.9-177.847.50000115.9D238 S242D238-S240 PolarHBondContact O-N 2.63Å; D238-S240 VanDerWaalsContact O-N 3.15Å; S240-S242 PolarHBondContact O-N 2.86Å
241T35.7Very low32Very low106 Ų106102.2 Ų102.265%0.6564%0.641SS**  trans-98.768.2-177.858.30000112.1D238D238-T241 HydrophobicContact CB-CG2 4.28Å; D238-T241 PolarHBondContact O-N 2.9Å
242S30.3Very low31.1Very low98 Ų98105.3 Ų105.369%0.68567%0.668SS**  trans-104.5122.4142.757.80000106.8S240S240-S242 PolarHBondContact O-N 2.86Å
243S26.6Very low30.3Very low109 Ų109106.6 Ų106.676%0.76267%0.669SS**SBendtrans111.7108.5175.175.50000117.1
244N23.4Very low29.6Very low171 Ų171111.7 Ų111.791%0.91468%0.682SS**  trans46.5130.1137.7-59.4-12.2000122.5
245G24.7Very low29.3Very low73 Ų73115.2 Ų115.275%0.75371%0.714SS**  trans132.695.5140.400000118.3
246E23.6Very low28.9Very low190 Ų190116.5 Ų116.589%0.88871%0.714SS**  trans50.6101.9140.9-64.7179.8165.400121.7S248E246-S248 PolarHBondContact O-N 2.77Å
247A25.7Very low28.3Very low106 Ų106124 Ų12488%0.87675%0.745SS**  trans-82.1102.3162.500000111.4
248S24.7Very low27.9Very low109 Ų109126.5 Ų126.576%0.76275%0.753SS**  trans-75.2122.2158-66.40000108.7E246E246-S248 PolarHBondContact O-N 2.77Å
249K20.6Very low27.1Very low206 Ų206133.9 Ų133.990%0.89679%0.786SS**  39.991.982.7-85.7-173.4177.5177.30113.7
250A25.8Very low26.2Very low92 Ų92132.3 Ų132.376%0.7679%0.79SS**  trans177.1106.9141.800000109.4
251L26.8Very low25.3Very low183 Ų183136.3 Ų136.396%0.95880%0.796SS**  trans178.471.2148.2-96.8150.4000109
252V22.3Very low24.9Very low136 Ų136139.7 Ų139.782%0.82481%0.81SS**  trans-122.3109.6154.4172.20000103.4
253D22.9Very low24.5Very low124 Ų124143.5 Ų143.566%0.66381%0.81SS**  -173.8136.5119.9-127.4-13.3000114.3
254Q23.5Very low24.6Very low163 Ų163142.6 Ų142.676%0.76280%0.804SS**  trans14119.9150-67.8164.550.900121.4
255S26.2Very low24.7Very low128 Ų128146.4 Ų146.490%0.89581%0.805SS**  trans-129.590.8133.569.80000109.2
256S25.4Very low24.8Very low86 Ų86147.6 Ų147.660%0.60181%0.808SS**  trans-84.5150.916491.30000109.6
257K23.6Very low25Very low187 Ų187144.3 Ų144.381%0.81380%0.801SS**  trans75.194.9159.7-62.6172.5-179.2179.20116.8
258D25.2Very low24.9Very low158 Ų158146.8 Ų146.885%0.84580%0.799SS**  trans166.5108.7134.6-81.2-21.5000104.3
259E27Very low25.2Very low192 Ų192148.5 Ų148.590%0.89781%0.805SS**  -16085.584.4-77.6-175.2156.300109.8
260G23.4Very low25.3Very low75 Ų75142 Ų14277%0.77380%0.796SS**  trans-98.179.2156.100000108.6
261K24.7Very low25.2Very low170 Ų170148 Ų14874%0.73980%0.799SS**  trans-174.261.3166.8-107.1166.7-167.8-176.80113.2Y263K261-Y263 HydrophobicContact CG-CD2 3.99Å; K261-Y263 HydrophobicContact CG-CE2 3.91Å
262L27.1Very low25.1Very low178 Ų178149.2 Ų149.293%0.93279%0.791SS**SBendtrans-121.278.7147.8-100.4152.9000107.8
263Y22.4Very low25.2Very low177 Ų177147.8 Ų147.869%0.69479%0.787SS**  trans-41.5124.7175.9-101.6-114.5000113.7K261 R265K261-Y263 HydrophobicContact CG-CD2 3.99Å; K261-Y263 HydrophobicContact CG-CE2 3.91Å; Y263-R265 VanDerWaalsContact C-N 3.29Å; Y263-R265 PolarHBondContact O-N 2.76Å
264S27.8Very low25.2Very low91 Ų91153.4 Ų153.464%0.63680%0.799SS**  44.431.5117.383.40000120
265R24.2Very low25.5Very low251 Ų251151.4 Ų151.495%0.94780%0.804SS**  trans-101.315.5-178.5-140.6175.4173.4134.1-1.6116.3Y263Y263-R265 VanDerWaalsContact C-N 3.29Å; Y263-R265 PolarHBondContact O-N 2.76Å
266A26.9Very low25.4Very low98 Ų98153.6 Ų153.681%0.8181%0.805SS**SBendtrans-113.10.617200000114.3N268A266-N268 PolarHBondContact O-N 2.94Å
267V28.5Very low25.5Very low121 Ų121152.9 Ų152.973%0.73381%0.811SS**SBendtrans-95.868.6171.5-163.60000108.5
268N24.8Very low25.9Very low158 Ų158150 Ų15085%0.84581%0.811SS**  trans-174.769.7161-98-24.3000112.4A266A266-N268 PolarHBondContact O-N 2.94Å
269T29.8Very low25.8Very low145 Ų145151.7 Ų151.789%0.8982%0.817SS**  trans-142.669.1143.551.30000108.9
270G23.1Very low25.9Very low68 Ų68151.3 Ų151.370%0.70182%0.815SS**  trans-90.8125.6151.300000108.6
271R24.5Very low26.3Very low219 Ų219153.5 Ų153.583%0.82682%0.819SS**  trans153.6127.7163.7-91.1174.4-178.9-170.11.6105.3
272R23.8Very low26.6Very low208 Ų208148.6 Ų148.679%0.78582%0.816SS**  cis-167.4144.125.2-112166.1176.2176.8-3.8108.8
273S25Very low26.7Very low107 Ų107147.9 Ų147.975%0.74881%0.813SS**  trans69.9109.3131.9-150.50000118.3
274R23.1Very low26.9Very low241 Ų241147.8 Ų147.891%0.90982%0.816SS**  54.8104.884.5-94.9-175.9168.1158.1-2.8113.6
275S28.6Very low26.9Very low122 Ų122147.5 Ų147.585%0.85381%0.814SS**  trans-169.3132.9132.152.40000110.9
276N24.2Very low26.8Very low174 Ų174145.7 Ų145.793%0.9381%0.807SS**  trans-68.8143.7175.6-62.6-34.2000111.9
277G27.8Very low26.8Very low70 Ų70151.4 Ų151.472%0.72281%0.808SS**  trans176143.6167.800000111.1
278P31.4Very low26.8Very low126 Ų126154.6 Ų154.682%0.81881%0.806SS**  trans-85.1163-152.134.4-34.9000114.7E280P278-E280 PolarHBondContact O-N 2.94Å
279M24.4Very low27.1Very low195 Ų195154.1 Ų154.196%0.96179%0.794SS**  trans-49.4112.9171.1-83.1163.659.400111.8
280E29Very low27.8Very low183 Ų183151.5 Ų151.586%0.85578%0.775SS**  trans-122.3129.4152.1-80.4-173169.600109.1P278 G282P278-E280 PolarHBondContact O-N 2.94Å; E280-G282 PolarHBondContact O-N 3.01Å
281S31.8Very low28.9Very low122 Ų122154.6 Ų154.685%0.85377%0.771SS**  trans-56.188178.145.70000111.4D283S281-D283 PolarHBondContact O-N 3.31Å; S281-D283 VanDerWaalsContact O-N 3.15Å
282G30.5Very low30.1Very low66 Ų66151.1 Ų151.168%0.6876%0.757SS**  trans-72.999.716700000109.5E280 F284E280-G282 PolarHBondContact O-N 3.01Å; G282-F284 VanDerWaalsContact C-N 3.29Å; G282-F284 PolarHBondContact O-N 2.93Å
283D28.6Very low31.3Very low163 Ų163147.2 Ų147.287%0.87274%0.744SS**  trans-4594.9162-94.2-32000109.6S281 C285S281-D283 PolarHBondContact O-N 3.31Å; S281-D283 VanDerWaalsContact O-N 3.15Å; D283-C285 VanDerWaalsContact C-N 3.34Å; D283-C285 PolarHBondContact O-N 3.24Å
284F27.3Very low32.5Very low175 Ų175146.3 Ų146.377%0.76873%0.729SS**  trans-72.496.4179.6-152.2-96.8000106.9G282 W286G282-F284 VanDerWaalsContact C-N 3.29Å; G282-F284 PolarHBondContact O-N 2.93Å; F284-W286 PolarHBondContact O-N 2.79Å
285C27Very low34.2Very low86 Ų86138 Ų13858%0.58170%0.702SS**  trans-55.994.3-172.9-178.50000112.4D283 R287 R288D283-C285 VanDerWaalsContact C-N 3.34Å; D283-C285 PolarHBondContact O-N 3.24Å; C285-R287 PolarHBondContact O-N 2.87Å; C285-R288 PolarHBondContact O-N 2.79Å
286W23.4Very low35.4Very low213 Ų213136.7 Ų136.781%0.80768%0.679SS**THydrogen-bonded Turntrans-51.4-27.3174.9-71.896.3000113.5F284 R288 Y289 D290F284-W286 PolarHBondContact O-N 2.79Å; W286-R288 PolarHBondContact O-N 3.17Å; W286-R288 VanDerWaalsContact O-N 3.16Å; W286-Y289 PolarHBondContact O-N 3.03Å; W286-Y289 VanDerWaalsContact O-N 3.15Å; W286-D290 PolarHBondContact O-N 3.37Å
287R26.2Very low36.5Very low218 Ų218130.3 Ų130.382%0.82365%0.646SS**Hα-helixtrans-60.6-27.9-175.9-139-179.1-85.5-163-3.4113.5C285C285-R287 PolarHBondContact O-N 2.87Å
288R29.4Very low38.1Very low187 Ų187133.9 Ų133.971%0.70664%0.638SS**Hα-helixtrans-90.3-13.8-178.9-138.1179.1-165.7171.95.3114.4C285 W286 R292C285-R288 PolarHBondContact O-N 2.79Å; W286-R288 PolarHBondContact O-N 3.17Å; W286-R288 VanDerWaalsContact O-N 3.16Å; R288-R292 PolarHBondContact O-NE 3.19Å
289Y30.1Very low39.3Very low148 Ų148135.1 Ų135.158%0.5863%0.626SS**Hα-helixtrans-88.6-33179.6-151-96.2000111.3W286 Y293W286-Y289 PolarHBondContact O-N 3.03Å; W286-Y289 VanDerWaalsContact O-N 3.15Å; Y289-Y293 PolarHBondContact O-N 2.93Å; Y289-Y293 VanDerWaalsContact O-N 3.15Å
290D43.7Very low40.3Very low91 Ų91134.3 Ų134.349%0.48761%0.612SS.*Hα-helixtrans-66.4-47.5179.4-16716.4000112.3W286 R292 Y293 M294W286-D290 PolarHBondContact O-N 3.37Å; D290-R292 VanDerWaalsContact C-N 3.33Å; D290-R292 PolarHBondContact O-N 3.23Å; D290-Y293 PolarHBondContact O-N 3.47Å; D290-Y293 VanDerWaalsContact O-N 3.09Å; D290-M294 WeakPolarHBondContact O-CB 3.44Å; D290-M294 WeakPolarHBondContact O-CG 3.49Å; D290-M294 PolarHBondContact O-N 3.23Å
291E47.7Very low41.1Very low133 Ų133132.6 Ų132.662%0.62160%0.602SS**Hα-helixtrans-58.4-42.4176.3-84-171.9156.600112.9Y293 M294 D295E291-Y293 VanDerWaalsContact C-N 3.31Å; E291-Y293 PolarHBondContact O-N 3.29Å; E291-M294 PolarHBondContact O-N 3.48Å; E291-D295 VanDerWaalsContact O-CB 3.25Å; E291-D295 WeakPolarHBondContact O-CB 3.44Å; E291-D295 PolarHBondContact O-N 3.05Å
292R49.6Very low42.4Very low145 Ų145130.9 Ų130.955%0.54758%0.583SS.*Hα-helixtrans-67.7-32.1178.6-81-169.8-88.8-170.1-6.9112.5R288 D290 R296R288-R292 PolarHBondContact O-NE 3.19Å; D290-R292 VanDerWaalsContact C-N 3.33Å; D290-R292 PolarHBondContact O-N 3.23Å; R292-R296 WeakPolarHBondContact O-CG 3.39Å; R292-R296 PolarHBondContact O-N 3.31Å; R292-R296 PolarHBondContact O-NH1 3.44Å
293Y48.9Very low43.3Very low127 Ų127132.5 Ų132.550%0.49857%0.573SS.*Hα-helixtrans-71.6-49173.1174.6-102.3000111.1Y289 D290 E291 D295 R296 V297Y289-Y293 PolarHBondContact O-N 2.93Å; Y289-Y293 VanDerWaalsContact O-N 3.15Å; D290-Y293 PolarHBondContact O-N 3.47Å; D290-Y293 VanDerWaalsContact O-N 3.09Å; E291-Y293 VanDerWaalsContact C-N 3.31Å; E291-Y293 PolarHBondContact O-N 3.29Å; Y293-D295 VanDerWaalsContact C-N 3.29Å; Y293-D295 PolarHBondContact O-N 3.11Å; Y293-R296 WeakPolarHBondContact O-CA 3.4Å; Y293-R296 WeakPolarHBondContact O-CB 3.48Å; Y293-R296 PolarHBondContact O-N 3.04Å; Y293-V297 HydrophobicContact CD1-CG2 4.3Å; Y293-V297 HydrophobicContact CE1-CG2 3.87Å; Y293-V297 HydrophobicContact CE2-CG2 4.2Å; Y293-V297 WeakPolarHBondContact O-CG2 3.3Å; Y293-V297 PolarHBondContact O-N 2.85Å
294M49.6Very low43.9Very low87 Ų87127.7 Ų127.743%0.42956%0.556SS.*Hα-helixtrans-60.9-36.6177.3-70.7-60.6-157.300112.4D290 E291 R296 V297 R298D290-M294 WeakPolarHBondContact O-CB 3.44Å; D290-M294 WeakPolarHBondContact O-CG 3.49Å; D290-M294 PolarHBondContact O-N 3.23Å; E291-M294 PolarHBondContact O-N 3.48Å; M294-R296 VanDerWaalsContact C-N 3.35Å; M294-R296 PolarHBondContact O-N 2.86Å; M294-V297 PolarHBondContact O-N 3.31Å; M294-R298 WeakPolarHBondContact O-CB 3.37Å; M294-R298 PolarHBondContact O-N 2.99Å
295D58.8Low44.9Very low67 Ų67125 Ų12536%0.35855%0.546SS..Hα-helixtrans-64.4-36.3172-91.713.4000112.7E291 Y293 R298 R299E291-D295 VanDerWaalsContact O-CB 3.25Å; E291-D295 WeakPolarHBondContact O-CB 3.44Å; E291-D295 PolarHBondContact O-N 3.05Å; Y293-D295 VanDerWaalsContact C-N 3.29Å; Y293-D295 PolarHBondContact O-N 3.11Å; D295-R298 IonicContact OD1-CZ 3.43Å; D295-R298 VanDerWaalsContact OD1-CZ 3.31Å; D295-R298 IonicContact OD1-NH1 2.68Å; D295-R298 PolarHBondContact OD1-NH1 3.25Å; D295-R298 IonicContact OD1-NH2 3.51Å; D295-R298 PolarHBondContact OD1-NH2 3.44Å; D295-R299 VanDerWaalsContact O-CB 3.31Å; D295-R299 WeakPolarHBondContact O-CB 3.47Å; D295-R299 WeakPolarHBondContact O-CG 3.28Å; D295-R299 PolarHBondContact O-N 3.31Å; D295-R299 PolarHBondContact O-NE 3.3Å
296R55Low45.9Very low94 Ų94125.1 Ų125.136%0.35554%0.536SS..Hα-helixtrans-69.7-39.5174.2-74.4-175.9-60.8-100.44.2111R292 Y293 M294 R299 R300R292-R296 WeakPolarHBondContact O-CG 3.39Å; R292-R296 PolarHBondContact O-N 3.31Å; R292-R296 PolarHBondContact O-NH1 3.44Å; Y293-R296 WeakPolarHBondContact O-CA 3.4Å; Y293-R296 WeakPolarHBondContact O-CB 3.48Å; Y293-R296 PolarHBondContact O-N 3.04Å; M294-R296 VanDerWaalsContact C-N 3.35Å; M294-R296 PolarHBondContact O-N 2.86Å; R296-R299 PolarHBondContact O-N 3.22Å; R296-R300 WeakPolarHBondContact O-CB 3.37Å; R296-R300 VanDerWaalsContact O-CG 3.25Å; R296-R300 WeakPolarHBondContact O-CG 3.42Å; R296-R300 PolarHBondContact O-N 3.17Å
297V47.5Very low46.7Very low41 Ų41120.3 Ų120.325%0.24852%0.524CS..Hα-helixtrans-65.2-46.3175.5175.40000110.7Y293 M294 R299 R300 K301Y293-V297 HydrophobicContact CD1-CG2 4.3Å; Y293-V297 HydrophobicContact CE1-CG2 3.87Å; Y293-V297 HydrophobicContact CE2-CG2 4.2Å; Y293-V297 WeakPolarHBondContact O-CG2 3.3Å; Y293-V297 PolarHBondContact O-N 2.85Å; M294-V297 PolarHBondContact O-N 3.31Å; V297-R299 PolarHBondContact O-N 2.78Å; V297-R300 PolarHBondContact O-N 2.82Å; V297-K301 PolarHBondContact O-N 3.48Å
298R59.5Low47.5Very low145 Ų145117.8 Ų117.855%0.54751%0.514SS..Hα-helixtrans-60.2-44.9174.6-87.7-175-95.3109.74.2111.8M294 D295 R300 K301 L302M294-R298 WeakPolarHBondContact O-CB 3.37Å; M294-R298 PolarHBondContact O-N 2.99Å; D295-R298 IonicContact OD1-CZ 3.43Å; D295-R298 VanDerWaalsContact OD1-CZ 3.31Å; D295-R298 IonicContact OD1-NH1 2.68Å; D295-R298 PolarHBondContact OD1-NH1 3.25Å; D295-R298 IonicContact OD1-NH2 3.51Å; D295-R298 PolarHBondContact OD1-NH2 3.44Å; R298-R300 VanDerWaalsContact C-N 3.35Å; R298-R300 PolarHBondContact O-N 3.12Å; R298-K301 PolarHBondContact O-N 3.34Å; R298-L302 VanDerWaalsContact O-CB 3.3Å; R298-L302 WeakPolarHBondContact O-CB 3.43Å; R298-L302 PolarHBondContact O-N 3.33Å
299R58.3Low48.7Very low151 Ų151113.4 Ų113.457%0.5751%0.509SS*.Hα-helixtrans-61.4-40.6174.2-80.9-175.1-76.3172.4-10.5112.7D295 R296 V297 L302 E303D295-R299 VanDerWaalsContact O-CB 3.31Å; D295-R299 WeakPolarHBondContact O-CB 3.47Å; D295-R299 WeakPolarHBondContact O-CG 3.28Å; D295-R299 PolarHBondContact O-N 3.31Å; D295-R299 PolarHBondContact O-NE 3.3Å; R296-R299 PolarHBondContact O-N 3.22Å; V297-R299 PolarHBondContact O-N 2.78Å; R299-L302 PolarHBondContact O-N 3.05Å; R299-E303 WeakPolarHBondContact O-CB 3.39Å; R299-E303 WeakPolarHBondContact O-CG 3.45Å; R299-E303 PolarHBondContact O-N 2.77Å
300R44.1Very low49.3Very low178 Ų178114 Ų11467%0.67251%0.51SS*.Hα-helixtrans-68.3-41.4177.7-76.2174.4178175.9-2112.5R296 V297 R298 L302 E303 A304R296-R300 WeakPolarHBondContact O-CB 3.37Å; R296-R300 VanDerWaalsContact O-CG 3.25Å; R296-R300 WeakPolarHBondContact O-CG 3.42Å; R296-R300 PolarHBondContact O-N 3.17Å; V297-R300 PolarHBondContact O-N 2.82Å; R298-R300 VanDerWaalsContact C-N 3.35Å; R298-R300 PolarHBondContact O-N 3.12Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-E303 PolarHBondContact O-N 2.81Å; R300-A304 VanDerWaalsContact O-CB 3.31Å; R300-A304 WeakPolarHBondContact O-CB 3.4Å; R300-A304 PolarHBondContact O-N 2.74Å
301K45.6Very low49.3Very low147 Ų147114.8 Ų114.864%0.63951%0.514SS*.Hα-helixtrans-60.6-45.1171.9-78.6-174175.9-178.20110.9V297 R298 A304 E305V297-K301 PolarHBondContact O-N 3.48Å; R298-K301 PolarHBondContact O-N 3.34Å; K301-A304 PolarHBondContact O-N 2.81Å; K301-E305 PolarHBondContact O-N 3.44Å
302L59.3Low49.5Very low87 Ų87112.9 Ų112.946%0.45551%0.506SS..Hα-helixtrans-64.2-41.8177.9-174.866.8000112.3R298 R299 R300 E305 K306R298-L302 VanDerWaalsContact O-CB 3.3Å; R298-L302 WeakPolarHBondContact O-CB 3.43Å; R298-L302 PolarHBondContact O-N 3.33Å; R299-L302 PolarHBondContact O-N 3.05Å; R300-L302 VanDerWaalsContact C-N 3.34Å; L302-E305 PolarHBondContact O-N 2.76Å; L302-K306 WeakPolarHBondContact O-CB 3.36Å; L302-K306 VanDerWaalsContact O-CG 3.29Å; L302-K306 WeakPolarHBondContact O-CG 3.34Å; L302-K306 PolarHBondContact O-N 2.87Å
303E49.6Very low49.7Very low99 Ų99108.3 Ų108.346%0.46350%0.499SS..Hα-helixtrans-67.6-38.2175.5-74.6-57.4132.300112.1R299 R300 K306 M307R299-E303 WeakPolarHBondContact O-CB 3.39Å; R299-E303 WeakPolarHBondContact O-CG 3.45Å; R299-E303 PolarHBondContact O-N 2.77Å; R300-E303 PolarHBondContact O-N 2.81Å; E303-K306 PolarHBondContact O-N 2.99Å; E303-K306 WeakPolarHBondContact OE1-CD 3.38Å; E303-K306 IonicContact OE1-NZ 2.77Å; E303-K306 PolarHBondContact OE1-NZ 2.87Å; E303-M307 WeakPolarHBondContact O-CB 3.45Å; E303-M307 PolarHBondContact O-N 2.81Å
304A41.2Very low49.4Very low63 Ų63106.7 Ų106.752%0.52150%0.497SS..Hα-helixtrans-63.9-40.5173.100000111.7R300 K301 M307 R308R300-A304 VanDerWaalsContact O-CB 3.31Å; R300-A304 WeakPolarHBondContact O-CB 3.4Å; R300-A304 PolarHBondContact O-N 2.74Å; K301-A304 PolarHBondContact O-N 2.81Å; A304-M307 PolarHBondContact O-N 2.93Å; A304-R308 WeakPolarHBondContact O-CB 3.21Å; A304-R308 PolarHBondContact O-N 3.19Å
305E48.2Very low49.2Very low118 Ų118105.7 Ų105.755%0.55149%0.491SS*.Hα-helixtrans-66.3-44.2172.8-78.9-163.6151.200112.2K301 L302 M307 R308 T309K301-E305 PolarHBondContact O-N 3.44Å; L302-E305 PolarHBondContact O-N 2.76Å; E305-M307 PolarHBondContact O-N 2.94Å; E305-R308 WeakPolarHBondContact O-CB 3.22Å; E305-R308 PolarHBondContact O-N 3.4Å; E305-T309 WeakPolarHBondContact O-CB 3.19Å; E305-T309 PolarHBondContact O-N 3.37Å; E305-T309 PolarHBondContact O-OG1 2.85Å
306K49Very low49Very low88 Ų88108 Ų10838%0.38350%0.499SS..Hα-helixtrans-57.7-40.3172.9-75173.6-174.11720111.5L302 E303 R310L302-K306 WeakPolarHBondContact O-CB 3.36Å; L302-K306 VanDerWaalsContact O-CG 3.29Å; L302-K306 WeakPolarHBondContact O-CG 3.34Å; L302-K306 PolarHBondContact O-N 2.87Å; E303-K306 PolarHBondContact O-N 2.99Å; E303-K306 WeakPolarHBondContact OE1-CD 3.38Å; E303-K306 IonicContact OE1-NZ 2.77Å; E303-K306 PolarHBondContact OE1-NZ 2.87Å; K306-R310 WeakPolarHBondContact O-CB 3.43Å; K306-R310 VanDerWaalsContact O-CG 3.3Å; K306-R310 WeakPolarHBondContact O-CG 3.5Å; K306-R310 PolarHBondContact O-N 2.85Å
307M39.8Very low48.8Very low112 Ų112108.5 Ų108.555%0.55250%0.504SS*.Hα-helixtrans-67.8-42.5177.4-169.1152.5-175.700111.5E303 A304 E305 R310 L311E303-M307 WeakPolarHBondContact O-CB 3.45Å; E303-M307 PolarHBondContact O-N 2.81Å; A304-M307 PolarHBondContact O-N 2.93Å; E305-M307 PolarHBondContact O-N 2.94Å; M307-R310 PolarHBondContact O-N 3.32Å; M307-L311 HydrophobicContact CG-CD1 4.46Å; M307-L311 WeakPolarHBondContact O-CG 3.18Å; M307-L311 PolarHBondContact O-N 2.91Å
308R43.4Very low48.6Very low165 Ų165108.5 Ų108.562%0.62350%0.502SS*.Hα-helixtrans-60.4-46.8173.1-174.3-177.3177-150.3-1.3111.6A304 E305 R310 L311 M312A304-R308 WeakPolarHBondContact O-CB 3.21Å; A304-R308 PolarHBondContact O-N 3.19Å; E305-R308 WeakPolarHBondContact O-CB 3.22Å; E305-R308 PolarHBondContact O-N 3.4Å; R308-R310 VanDerWaalsContact C-N 3.33Å; R308-R310 PolarHBondContact O-N 3.19Å; R308-L311 PolarHBondContact O-N 3.39Å; R308-M312 WeakPolarHBondContact O-CG 3.18Å; R308-M312 PolarHBondContact O-N 3.31Å
309T53Low48.1Very low96 Ų96106 Ų10659%0.58950%0.499SS*.Hα-helixtrans-63.2-39.3177.6-57.70000111.3E305 M312 A313E305-T309 WeakPolarHBondContact O-CB 3.19Å; E305-T309 PolarHBondContact O-N 3.37Å; E305-T309 PolarHBondContact O-OG1 2.85Å; T309-M312 PolarHBondContact O-N 3.22Å; T309-A313 WeakPolarHBondContact O-CB 3.12Å; T309-A313 PolarHBondContact O-N 3.11Å
310R43.8Very low48.2Very low160 Ų160106.8 Ų106.860%0.60450%0.502SS*.Hα-helixtrans-65.3-43.2173.9-78.1175.4179.71680112.5K306 M307 R308 M312 A313 M314K306-R310 WeakPolarHBondContact O-CB 3.43Å; K306-R310 VanDerWaalsContact O-CG 3.3Å; K306-R310 WeakPolarHBondContact O-CG 3.5Å; K306-R310 PolarHBondContact O-N 2.85Å; M307-R310 PolarHBondContact O-N 3.32Å; R308-R310 VanDerWaalsContact C-N 3.33Å; R308-R310 PolarHBondContact O-N 3.19Å; R310-M312 VanDerWaalsContact C-N 3.31Å; R310-M312 PolarHBondContact O-N 2.85Å; R310-A313 PolarHBondContact O-N 3.38Å; R310-M314 WeakPolarHBondContact O-CB 3.29Å; R310-M314 WeakPolarHBondContact O-CG 3.33Å; R310-M314 PolarHBondContact O-N 2.98Å
311L43.7Very low48.7Very low107 Ų107103.5 Ų103.556%0.5649%0.494SS*.Hα-helixtrans-62.3-40.1175.5-73.5169000111.3M307 R308 M314 K315M307-L311 HydrophobicContact CG-CD1 4.46Å; M307-L311 WeakPolarHBondContact O-CG 3.18Å; M307-L311 PolarHBondContact O-N 2.91Å; R308-L311 PolarHBondContact O-N 3.39Å; L311-M314 PolarHBondContact O-N 3.28Å; L311-K315 VanDerWaalsContact O-CB 3.28Å; L311-K315 WeakPolarHBondContact O-CB 3.45Å; L311-K315 PolarHBondContact O-N 3.26Å
312M51.6Low48.8Very low94 Ų94107 Ų10746%0.46350%0.504SS..Hα-helixtrans-69-41.2175.7-69.4-62.317700112.6R308 T309 R310 M314 K315 E316R308-M312 WeakPolarHBondContact O-CG 3.18Å; R308-M312 PolarHBondContact O-N 3.31Å; T309-M312 PolarHBondContact O-N 3.22Å; R310-M312 VanDerWaalsContact C-N 3.31Å; R310-M312 PolarHBondContact O-N 2.85Å; M312-M314 VanDerWaalsContact C-N 3.34Å; M312-M314 PolarHBondContact O-N 3.43Å; M312-K315 CarbonylContact O-C 3.56Å; M312-K315 WeakPolarHBondContact O-CB 3.35Å; M312-K315 PolarHBondContact O-N 2.59Å; M312-K315 HydrophobicContact SD-CD 4.08Å; M312-E316 PolarHBondContact O-N 2.78Å
313A53.6Low48.1Very low49 Ų49105.8 Ų105.841%0.40550%0.497SS..Hα-helixtrans-65.6-37.6175.100000112T309 R310 E316 K317T309-A313 WeakPolarHBondContact O-CB 3.12Å; T309-A313 PolarHBondContact O-N 3.11Å; R310-A313 PolarHBondContact O-N 3.38Å; A313-E316 PolarHBondContact O-N 2.85Å; A313-K317 VanDerWaalsContact O-CB 3.29Å; A313-K317 WeakPolarHBondContact O-CB 3.47Å; A313-K317 PolarHBondContact O-N 3.38Å
314M42.5Very low47.7Very low93 Ų93104.8 Ų104.846%0.45850%0.495SS..Hα-helixtrans-67.2-37.8173.1-73179.870.700111.6V3 R310 L311 M312 K317 M318V3-M314 HydrophobicContact CG2-CE 3.45Å; V3-M314 VanDerWaalsContact CG2-CE 3.45Å; V3-M314 HydrophobicContact CG2-SD 4.47Å; R310-M314 WeakPolarHBondContact O-CB 3.29Å; R310-M314 WeakPolarHBondContact O-CG 3.33Å; R310-M314 PolarHBondContact O-N 2.98Å; L311-M314 PolarHBondContact O-N 3.28Å; M312-M314 VanDerWaalsContact C-N 3.34Å; M312-M314 PolarHBondContact O-N 3.43Å; M314-K317 PolarHBondContact O-N 3.44Å; M314-M318 WeakPolarHBondContact O-CB 3.22Å; M314-M318 PolarHBondContact O-N 2.99Å
315K44.8Very low47.6Very low66 Ų66109.4 Ų109.429%0.28750%0.499SS..Hα-helixtrans-63.5-44.4172178.1-173174.71780112Q209 L311 M312 M318 N319Q209-K315 VanDerWaalsContact CD-NZ 3.32Å; L311-K315 VanDerWaalsContact O-CB 3.28Å; L311-K315 WeakPolarHBondContact O-CB 3.45Å; L311-K315 PolarHBondContact O-N 3.26Å; M312-K315 CarbonylContact O-C 3.56Å; M312-K315 WeakPolarHBondContact O-CB 3.35Å; M312-K315 PolarHBondContact O-N 2.59Å; M312-K315 HydrophobicContact SD-CD 4.08Å; K315-M318 HydrophobicContact CG-CE 4.05Å; K315-M318 WeakPolarHBondContact O-CB 3.47Å; K315-M318 PolarHBondContact O-N 3.19Å; K315-N319 PolarHBondContact O-N 3.46Å
316E56.2Low47.3Very low114 Ų114106.4 Ų106.453%0.53349%0.487SS..Hα-helixtrans-64.4-42.6174.7-82.1-174.5173.500112.1M312 A313 M318 N319 R320M312-E316 PolarHBondContact O-N 2.78Å; A313-E316 PolarHBondContact O-N 2.85Å; E316-M318 VanDerWaalsContact C-N 3.33Å; E316-N319 PolarHBondContact O-N 2.84Å; E316-R320 WeakPolarHBondContact O-CB 3.43Å; E316-R320 PolarHBondContact O-N 2.75Å; E316-R320 IonicContact OE2-NH1 3.73Å
317K50.3Low47Very low106 Ų106103.8 Ų103.846%0.46148%0.475SS..Hα-helixtrans-61-43.5174.9-172.4179.2178.7-177.60111A313 M314 R320 E321A313-K317 VanDerWaalsContact O-CB 3.29Å; A313-K317 WeakPolarHBondContact O-CB 3.47Å; A313-K317 PolarHBondContact O-N 3.38Å; M314-K317 PolarHBondContact O-N 3.44Å; K317-R320 PolarHBondContact O-N 3.14Å; K317-E321 WeakPolarHBondContact CE-OE1 3.37Å; K317-E321 WeakPolarHBondContact CE-OE2 3.23Å; K317-E321 HydrophobicContact CG-CG 4.29Å; K317-E321 WeakPolarHBondContact CG-OE1 3.21Å; K317-E321 IonicContact NZ-OE1 3.96Å; K317-E321 WeakPolarHBondContact O-CB 3.18Å; K317-E321 WeakPolarHBondContact O-CG 3.5Å; K317-E321 PolarHBondContact O-N 2.81Å
318M43.7Very low46.8Very low40 Ų40104.8 Ų104.820%0.19747%0.474CS..Hα-helixtrans-60.1-43.5174.3177.3-171.873.300112.1M314 K315 E316 R322 L326M314-M318 WeakPolarHBondContact O-CB 3.22Å; M314-M318 PolarHBondContact O-N 2.99Å; K315-M318 HydrophobicContact CG-CE 4.05Å; K315-M318 WeakPolarHBondContact O-CB 3.47Å; K315-M318 PolarHBondContact O-N 3.19Å; E316-M318 VanDerWaalsContact C-N 3.33Å; M318-R322 WeakPolarHBondContact O-CA 3.42Å; M318-R322 PolarHBondContact O-N 3.32Å; M318-L326 HydrophobicContact SD-CD2 4.26Å
319N49.4Very low46.6Very low92 Ų9299 Ų9949%0.49245%0.452SS..Hα-helixtrans-66.4-37.6175.3-75.5-7.6000112.4K315 E316K315-N319 PolarHBondContact O-N 3.46Å; E316-N319 PolarHBondContact O-N 2.84Å
320R59.5Low46.1Very low169 Ų16996 Ų9664%0.63843%0.433SS*.Hα-helixtrans-69.1-43.8175.9-83.6-171.6-63.4-103.6-7112.7E316 K317E316-R320 WeakPolarHBondContact O-CB 3.43Å; E316-R320 PolarHBondContact O-N 2.75Å; E316-R320 IonicContact OE2-NH1 3.73Å; K317-R320 PolarHBondContact O-N 3.14Å
321E54.7Low45.8Very low109 Ų10990 Ų9051%0.50941%0.412SS..Hα-helixtrans-95.9-10.6-168.7-66.4177.3-174.700113.8K317 D323K317-E321 WeakPolarHBondContact CE-OE1 3.37Å; K317-E321 WeakPolarHBondContact CE-OE2 3.23Å; K317-E321 HydrophobicContact CG-CG 4.29Å; K317-E321 WeakPolarHBondContact CG-OE1 3.21Å; K317-E321 IonicContact NZ-OE1 3.96Å; K317-E321 WeakPolarHBondContact O-CB 3.18Å; K317-E321 WeakPolarHBondContact O-CG 3.5Å; K317-E321 PolarHBondContact O-N 2.81Å; E321-D323 HydrophobicContact CB-CB 4.44Å; E321-D323 PolarHBondContact O-N 3.47Å
322R47.8Very low45.7Very low221 Ų22188.8 Ų88.883%0.83440%0.403SS*.THydrogen-bonded Turntrans50.339.4-175.8-60.5-177.5176.3179.3-0.6112.7M318M318-R322 WeakPolarHBondContact O-CA 3.42Å; M318-R322 PolarHBondContact O-N 3.32Å
323D44Very low45.2Very low60 Ų6086.6 Ų86.632%0.32139%0.39SS..  trans-95.9110.2-176.1-172.9-8.1000111.8E321 R325E321-D323 HydrophobicContact CB-CB 4.44Å; E321-D323 PolarHBondContact O-N 3.47Å; D323-R325 VanDerWaalsContact C-N 3.28Å; D323-R325 PolarHBondContact O-N 2.77Å; D323-R325 WeakPolarHBondContact OD1-CB 3.04Å; D323-R325 VanDerWaalsContact OD1-CD 3.3Å; D323-R325 WeakPolarHBondContact OD1-CD 3.46Å; D323-R325 WeakPolarHBondContact OD1-CG 3.27Å; D323-R325 PolarHBondContact OD1-N 3.08Å; D323-R325 IonicContact OD1-NE 3.8Å; D323-R325 IonicContact OD2-NE 3.99Å; D323-R325 IonicContact OD2-NH1 3.87Å
324D42.4Very low44.6Very low78 Ų7887.5 Ų87.542%0.41739%0.388SS..THydrogen-bonded Turntrans-79.75.1-172.7-63-37.2000115F216 L326 F327F216-D324 HydrophobicContact CD1-CB 4.2Å; F216-D324 HydrophobicContact CE1-CB 3.68Å; F216-D324 HydrophobicContact CE2-CB 4.34Å; F216-D324 HydrophobicContact CZ-CB 3.77Å; D324-L326 VanDerWaalsContact C-N 3.26Å; D324-L326 PolarHBondContact O-N 3.28Å; D324-L326 VanDerWaalsContact O-N 3.17Å; D324-F327 PolarHBondContact O-N 3.42Å; D324-F327 VanDerWaalsContact O-N 3.08Å
325R37.6Very low44.5Very low160 Ų16085 Ų8560%0.60438%0.375SS*.Hα-helixtrans-60.5-26.8-175.9-76.7169.3-176.7174.7-1.4114.9D323 F327 Y329D323-R325 VanDerWaalsContact C-N 3.28Å; D323-R325 PolarHBondContact O-N 2.77Å; D323-R325 WeakPolarHBondContact OD1-CB 3.04Å; D323-R325 VanDerWaalsContact OD1-CD 3.3Å; D323-R325 WeakPolarHBondContact OD1-CD 3.46Å; D323-R325 WeakPolarHBondContact OD1-CG 3.27Å; D323-R325 PolarHBondContact OD1-N 3.08Å; D323-R325 IonicContact OD1-NE 3.8Å; D323-R325 IonicContact OD2-NE 3.99Å; D323-R325 IonicContact OD2-NH1 3.87Å; R325-F327 PolarHBondContact O-N 2.87Å; R325-Y329 HydrophobicContact CB-CE2 4.49Å; R325-Y329 WeakPolarHBondContact O-CD1 3.44Å; R325-Y329 WeakPolarHBondContact O-CD2 3.34Å; R325-Y329 WeakPolarHBondContact O-CE2 3.46Å; R325-Y329 VanDerWaalsContact O-CG 3.29Å
326L42.5Very low44.1Very low56 Ų5683.7 Ų83.729%0.29337%0.374SS..Hα-helixtrans-70.5-17.2177.8-17261.8000113.1V3 L207 M318 D324 Y329 I330V3-L326 HydrophobicContact CB-CD1 4.45Å; L207-L326 HydrophobicContact CD2-CD2 4.45Å; M318-L326 HydrophobicContact SD-CD2 4.26Å; D324-L326 VanDerWaalsContact C-N 3.26Å; D324-L326 PolarHBondContact O-N 3.28Å; D324-L326 VanDerWaalsContact O-N 3.17Å; L326-Y329 VanDerWaalsContact CA-CD2 3.49Å; L326-Y329 HydrophobicContact CB-CD2 4.32Å; L326-Y329 HydrophobicContact CD1-CD2 3.66Å; L326-Y329 HydrophobicContact CD1-CG 4.45Å; L326-Y329 VanDerWaalsContact O-CB 3.23Å; L326-Y329 WeakPolarHBondContact O-CB 3.25Å; L326-Y329 PolarHBondContact O-N 3.01Å; L326-I330 WeakPolarHBondContact O-CD1 3.31Å
327F43.1Very low43.2Very low32 Ų3281.9 Ų81.914%0.1436%0.364CS..Hα-helixtrans-84-38.1177.8176.4-95.5000113.1F216 C217 A220 D324 R325 Y329 I330 L331F216-F327 HydrophobicContact CD1-CB 3.88Å; F216-F327 AromaticContact CD1-CD1 3.32Å; F216-F327 HydrophobicContact CD1-CD1 3.32Å; F216-F327 HydrophobicContact CD1-CE1 4.2Å; F216-F327 AromaticContact CD1-CG 3.78Å; F216-F327 HydrophobicContact CD1-CG 3.78Å; F216-F327 HydrophobicContact CE1-CB 3.85Å; F216-F327 AromaticContact CE1-CD1 3.4Å; F216-F327 HydrophobicContact CE1-CD1 3.4Å; F216-F327 VanDerWaalsContact CE1-CD1 3.4Å; F216-F327 HydrophobicContact CE1-CE1 4.41Å; F216-F327 HydrophobicContact CE1-CG 4.01Å; F216-F327 HydrophobicContact CG-CD1 4.48Å; C217-F327 HydrophobicContact CB-CD2 4.09Å; C217-F327 HydrophobicContact CB-CE1 4.11Å; C217-F327 HydrophobicContact CB-CE2 3.41Å; C217-F327 VanDerWaalsContact CB-CE2 3.41Å; C217-F327 HydrophobicContact CB-CZ 3.41Å; C217-F327 VanDerWaalsContact CB-CZ 3.41Å; C217-F327 WeakPolarHBondContact O-CZ 3.29Å; C217-F327 WeakPolarHBondContact SG-CD2 3.34Å; C217-F327 WeakPolarHBondContact SG-CE2 3.35Å; A220-F327 HydrophobicContact CB-CD1 4.46Å; A220-F327 HydrophobicContact CB-CE1 3.68Å; D324-F327 PolarHBondContact O-N 3.42Å; D324-F327 VanDerWaalsContact O-N 3.08Å; R325-F327 PolarHBondContact O-N 2.87Å; F327-Y329 PolarHBondContact O-N 2.96Å; F327-I330 HydrophobicContact CD2-CD1 4.42Å; F327-I330 PolarHBondContact O-N 3.42Å; F327-I330 VanDerWaalsContact O-N 3.08Å; F327-L331 HydrophobicContact CD1-CD1 4.21Å; F327-L331 HydrophobicContact CE1-CD1 3.14Å; F327-L331 HydrophobicContact CE1-CG 3.64Å; F327-L331 HydrophobicContact CE2-CG 4.19Å; F327-L331 HydrophobicContact CZ-CD1 3.35Å; F327-L331 HydrophobicContact CZ-CD2 4.05Å; F327-L331 HydrophobicContact CZ-CG 3.34Å; F327-L331 PolarHBondContact O-N 3.34Å
328Y35.2Very low42.3Very low133 Ų13381.7 Ų81.752%0.52236%0.364SS..Hα-helixtrans-53.3-24.2165.9-70.7-71.2000111.6F216 F332F216-Y328 HydrophobicContact CE1-CD2 4.43Å; F216-Y328 HydrophobicContact CE1-CE2 4.13Å; F216-Y328 HydrophobicContact CZ-CD2 4.23Å; F216-Y328 HydrophobicContact CZ-CE1 4.49Å; F216-Y328 AromaticContact CZ-CE2 3.5Å; F216-Y328 HydrophobicContact CZ-CE2 3.5Å; F216-Y328 AromaticContact CZ-CZ 3.63Å; Y328-F332 VanDerWaalsContact O-CB 3.25Å; Y328-F332 WeakPolarHBondContact O-CB 3.24Å; Y328-F332 PolarHBondContact O-N 3.24Å; Y328-F332 VanDerWaalsContact O-N 3.12Å
329Y40Very low41.6Very low44 Ų4483.1 Ų83.117%0.17337%0.369CS..Hα-helixtrans-71.6-38.3179-63.6-15.4000114.9N2 V3 L4 R325 L326 F327 F333N2-Y329 HydrophobicContact CB-CE1 4.12Å; N2-Y329 HydrophobicContact CB-CE2 3.79Å; N2-Y329 WeakPolarHBondContact CB-OH 3.17Å; N2-Y329 VanDerWaalsContact CG-CE1 3.47Å; N2-Y329 WeakPolarHBondContact ND2-CE1 3.46Å; N2-Y329 PolarHBondContact ND2-OH 3.32Å; V3-Y329 HydrophobicContact CB-CD2 4.4Å; L4-Y329 HydrophobicContact CB-CD1 3.36Å; L4-Y329 HydrophobicContact CB-CD2 4.25Å; L4-Y329 HydrophobicContact CB-CE1 3.76Å; L4-Y329 HydrophobicContact CB-CG 3.63Å; L4-Y329 HydrophobicContact CD1-CD1 3.14Å; L4-Y329 HydrophobicContact CD1-CE1 3.82Å; L4-Y329 HydrophobicContact CD1-CG 3.92Å; L4-Y329 WeakPolarHBondContact CD2-O 3.46Å; L4-Y329 VanDerWaalsContact CG-CB 3.41Å; L4-Y329 HydrophobicContact CG-CD1 3.18Å; L4-Y329 HydrophobicContact CG-CD2 4.46Å; L4-Y329 HydrophobicContact CG-CE1 4.03Å; L4-Y329 HydrophobicContact CG-CG 3.43Å; L4-Y329 VanDerWaalsContact CG-CG 3.43Å; R325-Y329 HydrophobicContact CB-CE2 4.49Å; R325-Y329 WeakPolarHBondContact O-CD1 3.44Å; R325-Y329 WeakPolarHBondContact O-CD2 3.34Å; R325-Y329 WeakPolarHBondContact O-CE2 3.46Å; R325-Y329 VanDerWaalsContact O-CG 3.29Å; L326-Y329 VanDerWaalsContact CA-CD2 3.49Å; L326-Y329 HydrophobicContact CB-CD2 4.32Å; L326-Y329 HydrophobicContact CD1-CD2 3.66Å; L326-Y329 HydrophobicContact CD1-CG 4.45Å; L326-Y329 VanDerWaalsContact O-CB 3.23Å; L326-Y329 WeakPolarHBondContact O-CB 3.25Å; L326-Y329 PolarHBondContact O-N 3.01Å; F327-Y329 PolarHBondContact O-N 2.96Å; Y329-F333 WeakPolarHBondContact O-CB 3.26Å; Y329-F333 PolarHBondContact O-N 3.46Å
330I42.6Very low40.7Very low34 Ų3484.2 Ų84.217%0.17437%0.371CS..Hα-helixtrans-79-40.2179-62.4133.5000110.6L207 L326 F327 F332 F333 L334L207-I330 HydrophobicContact CB-CD1 4.09Å; L207-I330 HydrophobicContact CD1-CD1 3.15Å; L207-I330 HydrophobicContact CD1-CG1 3.54Å; L207-I330 HydrophobicContact CD2-CD1 3.93Å; L207-I330 HydrophobicContact CG-CD1 3.87Å; L326-I330 WeakPolarHBondContact O-CD1 3.31Å; F327-I330 HydrophobicContact CD2-CD1 4.42Å; F327-I330 PolarHBondContact O-N 3.42Å; F327-I330 VanDerWaalsContact O-N 3.08Å; I330-F332 PolarHBondContact O-N 3.28Å; I330-F333 WeakPolarHBondContact O-CB 3.35Å; I330-F333 PolarHBondContact O-N 3.46Å; I330-L334 HydrophobicContact CG2-CD1 3.93Å; I330-L334 HydrophobicContact CG2-CG 4.34Å; I330-L334 VanDerWaalsContact O-CG 3.31Å; I330-L334 WeakPolarHBondContact O-CG 3.49Å; I330-L334 PolarHBondContact O-N 2.96Å
331L37.2Very low39.1Very low33 Ų3381 Ų8117%0.17336%0.364CS..Hα-helixtrans-60.3-47.2175.7-81.8178.5000111.7A220 L221 F327 F333 L334 F335A220-L331 HydrophobicContact CB-CD1 3.34Å; L221-L331 HydrophobicContact CB-CD2 4.45Å; L221-L331 HydrophobicContact CD1-CD2 4.31Å; F327-L331 HydrophobicContact CD1-CD1 4.21Å; F327-L331 HydrophobicContact CE1-CD1 3.14Å; F327-L331 HydrophobicContact CE1-CG 3.64Å; F327-L331 HydrophobicContact CE2-CG 4.19Å; F327-L331 HydrophobicContact CZ-CD1 3.35Å; F327-L331 HydrophobicContact CZ-CD2 4.05Å; F327-L331 HydrophobicContact CZ-CG 3.34Å; F327-L331 PolarHBondContact O-N 3.34Å; L331-F333 VanDerWaalsContact C-N 3.31Å; L331-F333 PolarHBondContact O-N 2.91Å; L331-L334 PolarHBondContact O-N 3.19Å; L331-F335 VanDerWaalsContact O-CB 3.3Å; L331-F335 WeakPolarHBondContact O-CB 3.39Å; L331-F335 PolarHBondContact O-N 3.21Å
332F40.4Very low38.1Very low82 Ų8280.3 Ų80.336%0.3637%0.371SS..Hα-helixtrans-62.8-35.7177.5-179.3-99.5000113L4 R8 Y328 I330 F335 S336L4-F332 HydrophobicContact CD1-CB 3.74Å; L4-F332 HydrophobicContact CD1-CD1 3.36Å; L4-F332 HydrophobicContact CD1-CE1 4.08Å; L4-F332 HydrophobicContact CD1-CG 3.76Å; L4-F332 HydrophobicContact CD2-CB 4.44Å; L4-F332 HydrophobicContact CD2-CD1 3.71Å; L4-F332 HydrophobicContact CG-CD1 4.1Å; R8-F332 VanDerWaalsContact CD-CE1 3.43Å; Y328-F332 VanDerWaalsContact O-CB 3.25Å; Y328-F332 WeakPolarHBondContact O-CB 3.24Å; Y328-F332 PolarHBondContact O-N 3.24Å; Y328-F332 VanDerWaalsContact O-N 3.12Å; I330-F332 PolarHBondContact O-N 3.28Å; F332-F335 PolarHBondContact O-N 3.22Å; F332-S336 WeakPolarHBondContact O-CB 3.41Å; F332-S336 PolarHBondContact O-N 3Å; F332-S336 PolarHBondContact O-OG 3.49Å
333F42.1Very low37.2Very low47 Ų4777.6 Ų77.621%0.20637%0.366CS..Hα-helixtrans-64.8-47.8175.2-176.9-89.7000111.7L4 L7 L11 Y329 I330 L331 F335 F337L4-F333 HydrophobicContact CD2-CB 4.37Å; L7-F333 HydrophobicContact CB-CD2 4.46Å; L7-F333 HydrophobicContact CB-CE2 4.48Å; L11-F333 HydrophobicContact CD1-CD2 3.76Å; L11-F333 HydrophobicContact CD1-CE2 3.18Å; L11-F333 HydrophobicContact CD1-CZ 3.76Å; L11-F333 HydrophobicContact CD2-CE2 4.37Å; L11-F333 HydrophobicContact CD2-CZ 4.44Å; L11-F333 HydrophobicContact CG-CE2 3.91Å; L11-F333 HydrophobicContact CG-CZ 4.45Å; Y329-F333 WeakPolarHBondContact O-CB 3.26Å; Y329-F333 PolarHBondContact O-N 3.46Å; I330-F333 WeakPolarHBondContact O-CB 3.35Å; I330-F333 PolarHBondContact O-N 3.46Å; L331-F333 VanDerWaalsContact C-N 3.31Å; L331-F333 PolarHBondContact O-N 2.91Å; F333-F335 VanDerWaalsContact C-N 3.28Å; F333-F335 PolarHBondContact O-N 3.4Å; F333-F337 HydrophobicContact CE1-CD2 4.27Å; F333-F337 HydrophobicContact CE1-CE2 4.2Å; F333-F337 HydrophobicContact CZ-CE2 4.18Å; F333-F337 PolarHBondContact O-N 3.29Å
334L40.8Very low36.5Very low68 Ų6876.9 Ų76.936%0.35636%0.364SS..Hα-helixtrans-64.9-31.1176.7-66.5172.2000112.4I200 I330 L331 F337I200-L334 HydrophobicContact CG1-CD2 4.49Å; I330-L334 HydrophobicContact CG2-CD1 3.93Å; I330-L334 HydrophobicContact CG2-CG 4.34Å; I330-L334 VanDerWaalsContact O-CG 3.31Å; I330-L334 WeakPolarHBondContact O-CG 3.49Å; I330-L334 PolarHBondContact O-N 2.96Å; L331-L334 PolarHBondContact O-N 3.19Å; L334-F337 WeakPolarHBondContact O-CB 3.48Å
335F40.7Very low36.2Very low42 Ų4277.5 Ų77.518%0.18439%0.388CS..Hα-helixtrans-82.8-38.3-177.8-131.8-153.3000114.3A224 W230 F234 L331 F332 F333 F337 K338 K339A224-F335 HydrophobicContact CB-CE1 4.16Å; A224-F335 HydrophobicContact CB-CZ 3.97Å; W230-F335 HydrophobicContact CB-CZ 4.35Å; W230-F335 HydrophobicContact CD2-CD1 4.05Å; W230-F335 AromaticContact CD2-CE1 3.07Å; W230-F335 HydrophobicContact CD2-CE1 3.07Å; W230-F335 HydrophobicContact CD2-CE2 4.23Å; W230-F335 AromaticContact CD2-CZ 3.14Å; W230-F335 HydrophobicContact CD2-CZ 3.14Å; W230-F335 AromaticContact CE2-CD1 3.65Å; W230-F335 AromaticContact CE2-CE1 2.92Å; W230-F335 AromaticContact CE2-CZ 3.59Å; W230-F335 AromaticContact CE3-CD1 3.95Å; W230-F335 HydrophobicContact CE3-CD1 3.95Å; W230-F335 HydrophobicContact CE3-CD2 4.4Å; W230-F335 AromaticContact CE3-CE1 3.23Å; W230-F335 HydrophobicContact CE3-CE1 3.23Å; W230-F335 AromaticContact CE3-CE2 3.69Å; W230-F335 HydrophobicContact CE3-CE2 3.69Å; W230-F335 HydrophobicContact CE3-CG 4.48Å; W230-F335 AromaticContact CE3-CZ 3.01Å; W230-F335 HydrophobicContact CE3-CZ 3.01Å; W230-F335 AromaticContact CG-CE1 3.84Å; W230-F335 HydrophobicContact CG-CE1 3.84Å; W230-F335 AromaticContact CG-CZ 3.71Å; W230-F335 HydrophobicContact CG-CZ 3.71Å; W230-F335 HydrophobicContact CH2-CB 4.46Å; W230-F335 AromaticContact CH2-CD1 2.94Å; W230-F335 HydrophobicContact CH2-CD1 2.94Å; W230-F335 HydrophobicContact CH2-CD2 4.26Å; W230-F335 AromaticContact CH2-CE1 3.08Å; W230-F335 HydrophobicContact CH2-CE1 3.08Å; W230-F335 HydrophobicContact CH2-CE2 4.29Å; W230-F335 AromaticContact CH2-CG 3.6Å; W230-F335 HydrophobicContact CH2-CG 3.6Å; W230-F335 AromaticContact CH2-CZ 3.75Å; W230-F335 HydrophobicContact CH2-CZ 3.75Å; W230-F335 AromaticContact CZ2-CD1 3.11Å; W230-F335 HydrophobicContact CZ2-CD1 3.11Å; W230-F335 AromaticContact CZ2-CE1 2.97Å; W230-F335 HydrophobicContact CZ2-CE1 2.97Å; W230-F335 HydrophobicContact CZ2-CG 4.2Å; W230-F335 AromaticContact CZ2-CZ 3.9Å; W230-F335 HydrophobicContact CZ2-CZ 3.9Å; W230-F335 AromaticContact CZ3-CD1 3.4Å; W230-F335 HydrophobicContact CZ3-CD1 3.4Å; W230-F335 VanDerWaalsContact CZ3-CD1 3.4Å; W230-F335 AromaticContact CZ3-CD2 3.94Å; W230-F335 HydrophobicContact CZ3-CD2 3.94Å; W230-F335 AromaticContact CZ3-CE1 3.22Å; W230-F335 HydrophobicContact CZ3-CE1 3.22Å; W230-F335 AromaticContact CZ3-CE2 3.7Å; W230-F335 HydrophobicContact CZ3-CE2 3.7Å; W230-F335 AromaticContact CZ3-CG 3.77Å; W230-F335 HydrophobicContact CZ3-CG 3.77Å; W230-F335 AromaticContact CZ3-CZ 3.32Å; W230-F335 HydrophobicContact CZ3-CZ 3.32Å; W230-F335 AromaticContact NE1-CE1 3.54Å; F234-F335 AromaticContact CE2-CE2 3.67Å; F234-F335 HydrophobicContact CE2-CE2 3.67Å; F234-F335 AromaticContact CE2-CZ 3.94Å; F234-F335 HydrophobicContact CE2-CZ 3.94Å; F234-F335 AromaticContact CZ-CE2 3.73Å; F234-F335 HydrophobicContact CZ-CE2 3.73Å; F234-F335 HydrophobicContact CZ-CZ 4.45Å; L331-F335 VanDerWaalsContact O-CB 3.3Å; L331-F335 WeakPolarHBondContact O-CB 3.39Å; L331-F335 PolarHBondContact O-N 3.21Å; F332-F335 PolarHBondContact O-N 3.22Å; F333-F335 VanDerWaalsContact C-N 3.28Å; F333-F335 PolarHBondContact O-N 3.4Å; F335-F337 PolarHBondContact O-N 2.58Å; F335-K338 PolarHBondContact O-N 3.12Å; F335-K338 VanDerWaalsContact O-N 3.09Å; F335-K339 PolarHBondContact O-N 3.17Å; F335-K339 VanDerWaalsContact O-N 3.16Å
336S36.6Very low35.9Very low38 Ų3875.4 Ų75.427%0.26639%0.388SS..Hα-helixtrans-58.2-34171.3-600000110.2F332 K338 E340F332-S336 WeakPolarHBondContact O-CB 3.41Å; F332-S336 PolarHBondContact O-N 3Å; F332-S336 PolarHBondContact O-OG 3.49Å; S336-K338 VanDerWaalsContact C-N 3.34Å; S336-K338 PolarHBondContact O-N 3.25Å; S336-E340 PolarHBondContact O-N 2.89Å
337F37.1Very low35.3Very low75 Ų7579.4 Ų79.433%0.32941%0.409SS..Hα-helixtrans-64.3-29.3175.4-113.2-79.1000115.1L11 F333 L334 F335 I359L11-F337 HydrophobicContact CD1-CE2 3.97Å; L11-F337 HydrophobicContact CD2-CE2 4.39Å; F333-F337 HydrophobicContact CE1-CD2 4.27Å; F333-F337 HydrophobicContact CE1-CE2 4.2Å; F333-F337 HydrophobicContact CZ-CE2 4.18Å; F333-F337 PolarHBondContact O-N 3.29Å; L334-F337 WeakPolarHBondContact O-CB 3.48Å; F335-F337 PolarHBondContact O-N 2.58Å; F337-I359 HydrophobicContact CE1-CD1 3.36Å; F337-I359 HydrophobicContact CE1-CG1 4.46Å; F337-I359 HydrophobicContact CZ-CD1 3.63Å; F337-I359 HydrophobicContact CZ-CG1 4.29Å; F337-I359 HydrophobicContact CZ-CG2 4.46Å
338K31.4Very low34.9Very low103 Ų10384.7 Ų84.745%0.44844%0.438SS..Hα-helixtrans-91.2-36.9-179.2-167.1179.4177.3-175.30112.8F234 F335 S336F234-K338 HydrophobicContact CE1-CD 4.29Å; F234-K338 HydrophobicContact CZ-CD 4.5Å; F335-K338 PolarHBondContact O-N 3.12Å; F335-K338 VanDerWaalsContact O-N 3.09Å; S336-K338 VanDerWaalsContact C-N 3.34Å; S336-K338 PolarHBondContact O-N 3.25Å
339K28.6Very low34.8Very low70 Ų7088.3 Ų88.330%0.30445%0.451SS..Hα-helixtrans-78.2-30.5-171.6-169.6174.3174.4-1750113.7W230 F335 M341W230-K339 HydrophobicContact CH2-CB 4.32Å; W230-K339 HydrophobicContact CH2-CD 3.61Å; W230-K339 HydrophobicContact CH2-CG 4.47Å; W230-K339 HydrophobicContact CZ2-CD 4.3Å; W230-K339 HydrophobicContact CZ3-CB 4.41Å; W230-K339 HydrophobicContact CZ3-CD 4.14Å; F335-K339 PolarHBondContact O-N 3.17Å; F335-K339 VanDerWaalsContact O-N 3.16Å; K339-M341 VanDerWaalsContact C-N 3.29Å; K339-M341 PolarHBondContact O-N 2.77Å
340E30Very low34.4Very low115 Ų11589.3 Ų89.354%0.53746%0.458SS..Hα-helixtrans-71-29.6178.2-140.562.3-151.100111.9S336 S342 T344S336-E340 PolarHBondContact O-N 2.89Å; E340-S342 PolarHBondContact O-N 2.6Å; E340-T344 HydrophobicContact CG-CG2 4.2Å; E340-T344 PolarHBondContact O-N 3.34Å; E340-T344 PolarHBondContact O-OG1 3.37Å
341M27.4Very low34.1Very low101 Ų10190.5 Ų90.550%0.49847%0.473SS..Hα-helixtrans-75.1-18-177.8-71.3-93.4-78.700114.5K339K339-M341 VanDerWaalsContact C-N 3.29Å; K339-M341 PolarHBondContact O-N 2.77Å
342S31.9Very low33.8Very low94 Ų9494.3 Ų94.366%0.65749%0.488SS*.Hα-helixtrans-103.9-18.4-178.8680000114.5E340E340-S342 PolarHBondContact O-N 2.6Å
343K30.5Very low33.5Very low165 Ų16594.8 Ų94.872%0.71750%0.5SS*.Hα-helixtrans-108-19.8-175.9-71.5-161.3173.9-157.10114.6
344T28.7Very low33.3Very low45 Ų4595.7 Ų95.728%0.27651%0.511SS..  trans-97.8118.7179.7680000107E340 I346E340-T344 HydrophobicContact CG-CG2 4.2Å; E340-T344 PolarHBondContact O-N 3.34Å; E340-T344 PolarHBondContact O-OG1 3.37Å; T344-I346 VanDerWaalsContact CB-CD1 3.45Å; T344-I346 HydrophobicContact CG2-CD1 4.04Å; T344-I346 PolarHBondContact O-N 2.78Å; T344-I346 WeakPolarHBondContact OG1-CD1 3.34Å
345G36.7Very low33Very low90 Ų9092.7 Ų92.793%0.92850%0.497SS*.  trans-64.835.6168.800000112.4N347G345-N347 PolarHBondContact O-N 3.47Å
346I29.7Very low32.9Very low117 Ų11797.5 Ų97.560%0.651%0.514SS*.  trans-79.9105.8-174.8-70.7173.8000107.8T344T344-I346 VanDerWaalsContact CB-CD1 3.45Å; T344-I346 HydrophobicContact CG2-CD1 4.04Å; T344-I346 PolarHBondContact O-N 2.78Å; T344-I346 WeakPolarHBondContact OG1-CD1 3.34Å
347N29.9Very low33Very low140 Ų140100.5 Ų100.575%0.74952%0.519SS*.  trans13.9114.7159.5-88.9-49.1000116.6G345 R349G345-N347 PolarHBondContact O-N 3.47Å; N347-R349 PolarHBondContact O-N 3.17Å
348L36.6Very low33.3Very low143 Ų14398.4 Ų98.475%0.74951%0.511SS*.THydrogen-bonded Turntrans-45.919.6178.2-81.9134.8000118.7K352L348-K352 WeakPolarHBondContact O-CD 3.3Å; L348-K352 WeakPolarHBondContact O-CE 3.35Å; L348-K352 WeakPolarHBondContact O-CG 3.45Å
349R32.2Very low33.7Very low208 Ų20895.4 Ų95.479%0.78550%0.5SS*.THydrogen-bonded Turntrans-87.3-41.8173.3-85-174.2174.8-173.4-0.9113.7N347 K352N347-R349 PolarHBondContact O-N 3.17Å; R349-K352 WeakPolarHBondContact O-CB 3.48Å; R349-K352 PolarHBondContact O-N 2.99Å
350M31.7Very low34.3Very low66 Ų6692.5 Ų92.533%0.32549%0.487SS..THydrogen-bonded Turntrans-82.8-20.3-175.7-64.7-131.785.400114.7K352M350-K352 PolarHBondContact O-N 3.04Å
351A36.9Very low34.8Very low59 Ų5989.5 Ų89.549%0.48847%0.471SS..THydrogen-bonded Turntrans-70.6-15169.500000112.8
352K30.1Very low35.5Very low113 Ų11387.1 Ų87.149%0.49146%0.457SS..SBendtrans-75.1149.2-178.9-70.3177.2177.1178.50110.6L348 R349 M350 S354 G355L348-K352 WeakPolarHBondContact O-CD 3.3Å; L348-K352 WeakPolarHBondContact O-CE 3.35Å; L348-K352 WeakPolarHBondContact O-CG 3.45Å; R349-K352 WeakPolarHBondContact O-CB 3.48Å; R349-K352 PolarHBondContact O-N 2.99Å; M350-K352 PolarHBondContact O-N 3.04Å; K352-S354 PolarHBondContact O-N 3.32Å; K352-G355 PolarHBondContact O-N 3.39Å
353P35Very low35.9Very low92 Ų9285.1 Ų85.160%0.59744%0.438SS*.Hα-helixtrans-50.7-23.2180-28.734.7000115.7R357P353-R357 WeakPolarHBondContact O-CG 2.94Å; P353-R357 PolarHBondContact O-N 2.98Å
354S37.8Very low36.3Very low65 Ų6577.8 Ų77.846%0.45541%0.407SS..Hα-helixtrans-61.8-51.7172.948.40000111.9K352 R356 R357 I358K352-S354 PolarHBondContact O-N 3.32Å; S354-R356 PolarHBondContact O-N 2.82Å; S354-R357 WeakPolarHBondContact O-CB 3.39Å; S354-R357 PolarHBondContact O-N 3.32Å; S354-I358 VanDerWaalsContact O-CD1 3.31Å; S354-I358 WeakPolarHBondContact O-CD1 3.34Å; S354-I358 WeakPolarHBondContact O-CG1 3.14Å; S354-I358 PolarHBondContact O-N 3.15Å; S354-I358 VanDerWaalsContact O-N 3.17Å
355G33.8Very low36.8Very low5 Ų577.4 Ų77.45%0.05240%0.401CS..Hα-helixtrans-55.8-36.4-179.100000113.9K352 I358K352-G355 PolarHBondContact O-N 3.39Å; G355-I358 WeakPolarHBondContact O-CB 3.5Å; G355-I358 PolarHBondContact O-N 3.47Å
356R39.3Very low36.9Very low143 Ų14379.1 Ų79.154%0.5439%0.385SS..Hα-helixtrans-71.8-39176.7-63.5-178.2-174.3173.82.1112.6S354 I358 M360S354-R356 PolarHBondContact O-N 2.82Å; R356-I358 PolarHBondContact O-N 3.37Å; R356-M360 WeakPolarHBondContact O-CG 3.17Å
357R38.3Very low37.2Very low101 Ų10174.1 Ų74.138%0.38136%0.362SS..Hα-helixtrans-62.9-32.5175.9-70.8177.7-159.3-171.12.3111.8P353 S354 M360 R361P353-R357 WeakPolarHBondContact O-CG 2.94Å; P353-R357 PolarHBondContact O-N 2.98Å; S354-R357 WeakPolarHBondContact O-CB 3.39Å; S354-R357 PolarHBondContact O-N 3.32Å; R357-M360 PolarHBondContact O-N 2.8Å; R357-R361 PolarHBondContact O-N 3.2Å; R357-R361 VanDerWaalsContact O-N 3.13Å
358I42.3Very low37.6Very low31 Ų3175 Ų7516%0.15936%0.359CS..Hα-helixtrans-66.6-49.8-172.9-71.1164.6000112.6L24 S354 G355 R356 M360 R361 R362L24-I358 HydrophobicContact CD1-CB 3.97Å; L24-I358 HydrophobicContact CD1-CD1 3.35Å; L24-I358 HydrophobicContact CD1-CG1 3.32Å; L24-I358 HydrophobicContact CD1-CG2 3.58Å; L24-I358 HydrophobicContact CD2-CB 3.7Å; L24-I358 HydrophobicContact CD2-CG1 3.54Å; L24-I358 HydrophobicContact CD2-CG2 3.51Å; L24-I358 HydrophobicContact CG-CB 4.11Å; L24-I358 HydrophobicContact CG-CD1 4.41Å; L24-I358 HydrophobicContact CG-CG1 3.88Å; L24-I358 HydrophobicContact CG-CG2 3.5Å; L24-I358 VanDerWaalsContact CG-CG2 3.5Å; S354-I358 VanDerWaalsContact O-CD1 3.31Å; S354-I358 WeakPolarHBondContact O-CD1 3.34Å; S354-I358 WeakPolarHBondContact O-CG1 3.14Å; S354-I358 PolarHBondContact O-N 3.15Å; S354-I358 VanDerWaalsContact O-N 3.17Å; G355-I358 WeakPolarHBondContact O-CB 3.5Å; G355-I358 PolarHBondContact O-N 3.47Å; R356-I358 PolarHBondContact O-N 3.37Å; I358-M360 PolarHBondContact O-N 3.06Å; I358-R361 PolarHBondContact O-N 2.96Å; I358-R362 PolarHBondContact O-N 3.35Å
359I40.9Very low37.2Very low40 Ų4068.8 Ų68.821%0.20533%0.326CS..Hα-helixtrans-64.5-34.3177.9-68.2153000110.8F337 R362 L363F337-I359 HydrophobicContact CE1-CD1 3.36Å; F337-I359 HydrophobicContact CE1-CG1 4.46Å; F337-I359 HydrophobicContact CZ-CD1 3.63Å; F337-I359 HydrophobicContact CZ-CG1 4.29Å; F337-I359 HydrophobicContact CZ-CG2 4.46Å; I359-R362 PolarHBondContact O-N 3.15Å; I359-L363 HydrophobicContact CG2-CD1 3.97Å; I359-L363 PolarHBondContact O-N 3.31Å
360M40.4Very low37.1Very low10 Ų1064.2 Ų64.25%0.04932%0.316CS..Hα-helixtrans-67.1-43.4179.1-61.9-30.6-54.900113.4G195 S196 V199 R356 R357 I358 R362 L363 L364G195-M360 WeakPolarHBondContact O-CE 3.4Å; S196-M360 VanDerWaalsContact CA-CG 3.49Å; S196-M360 WeakPolarHBondContact CA-SD 3.39Å; S196-M360 WeakPolarHBondContact O-CE 3.4Å; S196-M360 WeakPolarHBondContact OG-CG 3.27Å; S196-M360 PolarHBondContact OG-SD 2.78Å; V199-M360 HydrophobicContact CB-CE 3.26Å; V199-M360 HydrophobicContact CG1-CE 4.33Å; V199-M360 HydrophobicContact CG2-CE 3.19Å; R356-M360 WeakPolarHBondContact O-CG 3.17Å; R357-M360 PolarHBondContact O-N 2.8Å; I358-M360 PolarHBondContact O-N 3.06Å; M360-R362 PolarHBondContact O-N 2.95Å; M360-L363 HydrophobicContact CE-CD1 4.27Å; M360-L363 PolarHBondContact O-N 2.85Å; M360-L364 WeakPolarHBondContact O-CB 3.27Å; M360-L364 VanDerWaalsContact O-CG 3.25Å; M360-L364 WeakPolarHBondContact O-CG 3.43Å; M360-L364 PolarHBondContact O-N 3.32Å
361R41.3Very low37Very low52 Ų5261.6 Ų61.620%0.19631%0.305CS..Hα-helixtrans-58.5-37.6176-74.8-172.6175.3172.65.9111.8I27 D28 R357 I358 K365 W372 G373I27-R361 HydrophobicContact CD1-CB 4.32Å; I27-R361 HydrophobicContact CG2-CB 3.8Å; D28-R361 IonicContact OD1-NH1 3.95Å; D28-R361 PolarHBondContact OD1-NH1 2.89Å; R357-R361 PolarHBondContact O-N 3.2Å; R357-R361 VanDerWaalsContact O-N 3.13Å; I358-R361 PolarHBondContact O-N 2.96Å; R361-K365 PolarHBondContact O-N 2.88Å; R361-K365 VanDerWaalsContact O-N 3.12Å; R361-W372 PolarHBondContact NE-O 2.91Å; R361-G373 PolarHBondContact NH1-O 3.26Å; R361-G373 PolarHBondContact NH2-O 3.24Å
362R42.4Very low36.6Very low50 Ų5060 Ų6019%0.18929%0.287CS..Hα-helixtrans-69.5-46.9-179.5-168.751.5-176.1-1588.8112.5I23 E26 I27 I358 I359 M360 L364 K365 E366I23-R362 HydrophobicContact CG2-CB 4.44Å; I23-R362 HydrophobicContact CG2-CG 4.05Å; E26-R362 IonicContact OE1-CZ 2.65Å; E26-R362 IonicContact OE1-NH1 3.03Å; E26-R362 PolarHBondContact OE1-NH1 3.45Å; E26-R362 IonicContact OE1-NH2 3.06Å; E26-R362 PolarHBondContact OE1-NH2 2.86Å; E26-R362 IonicContact OE2-NH1 2.9Å; E26-R362 PolarHBondContact OE2-NH1 3.37Å; E26-R362 IonicContact OE2-NH2 3.23Å; I27-R362 HydrophobicContact CD1-CB 3.45Å; I27-R362 VanDerWaalsContact CD1-CB 3.45Å; I27-R362 HydrophobicContact CD1-CG 4.05Å; I27-R362 HydrophobicContact CG1-CB 4.17Å; I27-R362 VanDerWaalsContact CG1-CD 3.47Å; I27-R362 HydrophobicContact CG1-CG 4.39Å; I358-R362 PolarHBondContact O-N 3.35Å; I359-R362 PolarHBondContact O-N 3.15Å; M360-R362 PolarHBondContact O-N 2.95Å; R362-L364 VanDerWaalsContact C-N 3.28Å; R362-L364 PolarHBondContact O-N 3.45Å; R362-K365 WeakPolarHBondContact O-CB 3.36Å; R362-K365 PolarHBondContact O-N 3.5Å; R362-K365 VanDerWaalsContact O-N 3.16Å; R362-E366 HydrophobicContact CG-CG 4.23Å; R362-E366 IonicContact CZ-OE1 2.67Å; R362-E366 VanDerWaalsContact CZ-OE1 3.23Å; R362-E366 IonicContact NE-OE1 2.94Å; R362-E366 PolarHBondContact NE-OE1 3.05Å; R362-E366 IonicContact NH2-OE1 3.27Å; R362-E366 PolarHBondContact NH2-OE1 2.73Å; R362-E366 PolarHBondContact O-N 3.28Å
363L39.4Very low36.8Very low52 Ų5255.4 Ų55.427%0.27227%0.272SS..Hα-helixtrans-68.7-33-177.1-62.7163.8000110.7V199 I359 M360 A367V199-L363 HydrophobicContact CB-CB 3.95Å; V199-L363 HydrophobicContact CB-CD1 4.45Å; V199-L363 HydrophobicContact CG1-CB 3.04Å; V199-L363 HydrophobicContact CG1-CD1 3.97Å; V199-L363 HydrophobicContact CG1-CG 4.06Å; V199-L363 HydrophobicContact CG2-CB 4.11Å; I359-L363 HydrophobicContact CG2-CD1 3.97Å; I359-L363 PolarHBondContact O-N 3.31Å; M360-L363 HydrophobicContact CE-CD1 4.27Å; M360-L363 PolarHBondContact O-N 2.85Å; L363-A367 VanDerWaalsContact O-CB 3.27Å; L363-A367 WeakPolarHBondContact O-CB 3.28Å; L363-A367 PolarHBondContact O-N 2.68Å; L363-A367 VanDerWaalsContact O-N 3.07Å
364L39.1Very low36.6Very low12 Ų1257 Ų576%0.06327%0.271CS..Hα-helixtrans-56.7-50168.9-73168.7000110.4V199 M360 R362 A367 K368 F369V199-L364 HydrophobicContact CG2-CB 4.3Å; V199-L364 HydrophobicContact CG2-CD1 4.4Å; V199-L364 HydrophobicContact CG2-CD2 3.45Å; V199-L364 VanDerWaalsContact CG2-CD2 3.45Å; V199-L364 HydrophobicContact CG2-CG 3.38Å; M360-L364 WeakPolarHBondContact O-CB 3.27Å; M360-L364 VanDerWaalsContact O-CG 3.25Å; M360-L364 WeakPolarHBondContact O-CG 3.43Å; M360-L364 PolarHBondContact O-N 3.32Å; R362-L364 VanDerWaalsContact C-N 3.28Å; R362-L364 PolarHBondContact O-N 3.45Å; L364-A367 PolarHBondContact O-N 2.72Å; L364-K368 PolarHBondContact O-N 2.96Å; L364-F369 HydrophobicContact CB-CB 3.92Å; L364-F369 HydrophobicContact CD2-CB 3.51Å; L364-F369 HydrophobicContact CD2-CD1 4.02Å; L364-F369 HydrophobicContact CD2-CD2 3.95Å; L364-F369 HydrophobicContact CD2-CG 3.62Å; L364-F369 HydrophobicContact CG-CB 4.32Å; L364-F369 WeakPolarHBondContact O-CA 3.35Å; L364-F369 WeakPolarHBondContact O-CB 3.17Å; L364-F369 PolarHBondContact O-N 3.31Å
365K38.7Very low36.5Very low36 Ų3657.2 Ų57.216%0.15727%0.267CS..Hα-helixtrans-62.5-49179.5178.4-178.7168.4-1790113.9E26 I27 D30 R361 R362 A367 K368E26-K365 PolarHBondContact O-NZ 2.97Å; E26-K365 IonicContact OE1-NZ 3.45Å; E26-K365 PolarHBondContact OE1-NZ 3.48Å; I27-K365 HydrophobicContact CB-CD 4.08Å; I27-K365 HydrophobicContact CG1-CD 3.84Å; I27-K365 HydrophobicContact CG2-CB 4.29Å; I27-K365 HydrophobicContact CG2-CD 4.05Å; D30-K365 HydrophobicContact CB-CD 3.94Å; D30-K365 IonicContact OD1-NZ 3.22Å; D30-K365 PolarHBondContact OD1-NZ 2.92Å; D30-K365 VanDerWaalsContact OD1-NZ 3.13Å; D30-K365 WeakPolarHBondContact OD2-CE 3.42Å; D30-K365 IonicContact OD2-NZ 3.31Å; D30-K365 PolarHBondContact OD2-NZ 3.26Å; R361-K365 PolarHBondContact O-N 2.88Å; R361-K365 VanDerWaalsContact O-N 3.12Å; R362-K365 WeakPolarHBondContact O-CB 3.36Å; R362-K365 PolarHBondContact O-N 3.5Å; R362-K365 VanDerWaalsContact O-N 3.16Å; K365-A367 VanDerWaalsContact C-N 3.31Å; K365-A367 PolarHBondContact O-N 3.29Å; K365-K368 PolarHBondContact O-N 2.83Å
366E38.6Very low36.6Very low126 Ų12661.6 Ų61.659%0.58930%0.295SS*.Hα-helixtrans-64.3-35.2-179.6-74-74.216300112.4R362 K368R362-E366 HydrophobicContact CG-CG 4.23Å; R362-E366 IonicContact CZ-OE1 2.67Å; R362-E366 VanDerWaalsContact CZ-OE1 3.23Å; R362-E366 IonicContact NE-OE1 2.94Å; R362-E366 PolarHBondContact NE-OE1 3.05Å; R362-E366 IonicContact NH2-OE1 3.27Å; R362-E366 PolarHBondContact NH2-OE1 2.73Å; R362-E366 PolarHBondContact O-N 3.28Å; E366-K368 PolarHBondContact O-N 3.38Å
367A37.5Very low36Very low13 Ų1363 Ų6311%0.10731%0.305CS..THydrogen-bonded Turntrans-79.7-0.8173.700000112.9L78 M206 L363 L364 K365 F369L78-A367 HydrophobicContact CD1-CB 3.73Å; L78-A367 WeakPolarHBondContact CD1-O 3.31Å; L78-A367 HydrophobicContact CD2-CB 4.47Å; M206-A367 HydrophobicContact SD-CB 4.24Å; L363-A367 VanDerWaalsContact O-CB 3.27Å; L363-A367 WeakPolarHBondContact O-CB 3.28Å; L363-A367 PolarHBondContact O-N 2.68Å; L363-A367 VanDerWaalsContact O-N 3.07Å; L364-A367 PolarHBondContact O-N 2.72Å; K365-A367 VanDerWaalsContact C-N 3.31Å; K365-A367 PolarHBondContact O-N 3.29Å; A367-F369 VanDerWaalsContact C-N 3.29Å; A367-F369 HydrophobicContact CB-CD2 3.59Å; A367-F369 HydrophobicContact CB-CE2 3.73Å; A367-F369 PolarHBondContact O-N 2.6Å
368K36.7Very low35.8Very low159 Ų15962.8 Ų62.869%0.69131%0.311SS*.THydrogen-bonded Turntrans59.534.2-172.9-52.5-176.2176.2-173.20114L364 K365 E366 I370L364-K368 PolarHBondContact O-N 2.96Å; K365-K368 PolarHBondContact O-N 2.83Å; E366-K368 PolarHBondContact O-N 3.38Å; K368-I370 PolarHBondContact O-N 2.88Å
369F29Very low35.2Very low12 Ų1271 Ų715%0.05335%0.346CS..  trans-73.3122.3159-72.1-96.2000109.3V76 T77 L78 L83 L364 A367V76-F369 HydrophobicContact CG1-CD1 3.52Å; V76-F369 HydrophobicContact CG1-CE1 3.56Å; T77-F369 WeakPolarHBondContact O-CD1 3.32Å; L78-F369 HydrophobicContact CB-CD1 4.18Å; L78-F369 HydrophobicContact CB-CD2 4.37Å; L78-F369 HydrophobicContact CB-CE1 3.65Å; L78-F369 HydrophobicContact CB-CE2 3.84Å; L78-F369 HydrophobicContact CB-CZ 3.5Å; L78-F369 VanDerWaalsContact CB-CZ 3.5Å; L78-F369 HydrophobicContact CD1-CD2 3.79Å; L78-F369 HydrophobicContact CD1-CE2 3.67Å; L78-F369 HydrophobicContact CD1-CG 4.43Å; L78-F369 HydrophobicContact CD1-CZ 4.24Å; L78-F369 HydrophobicContact CD2-CE2 3.59Å; L78-F369 HydrophobicContact CD2-CZ 3.75Å; L78-F369 HydrophobicContact CG-CD2 4.46Å; L78-F369 HydrophobicContact CG-CE2 3.9Å; L78-F369 HydrophobicContact CG-CZ 4.04Å; L83-F369 HydrophobicContact CD2-CD1 4.46Å; L83-F369 HydrophobicContact CD2-CE1 3.13Å; L83-F369 HydrophobicContact CD2-CE2 4.35Å; L83-F369 HydrophobicContact CD2-CZ 3.07Å; L83-F369 HydrophobicContact CG-CE1 4.5Å; L364-F369 HydrophobicContact CB-CB 3.92Å; L364-F369 HydrophobicContact CD2-CB 3.51Å; L364-F369 HydrophobicContact CD2-CD1 4.02Å; L364-F369 HydrophobicContact CD2-CD2 3.95Å; L364-F369 HydrophobicContact CD2-CG 3.62Å; L364-F369 HydrophobicContact CG-CB 4.32Å; L364-F369 WeakPolarHBondContact O-CA 3.35Å; L364-F369 WeakPolarHBondContact O-CB 3.17Å; L364-F369 PolarHBondContact O-N 3.31Å; A367-F369 VanDerWaalsContact C-N 3.29Å; A367-F369 HydrophobicContact CB-CD2 3.59Å; A367-F369 HydrophobicContact CB-CE2 3.73Å; A367-F369 PolarHBondContact O-N 2.6Å
370I29.4Very low34.8Very low112 Ų11273.5 Ų73.557%0.57437%0.367SS*.  trans-88.6112172.2-60.9176.6000107.3L36 K368L36-I370 HydrophobicContact CD1-CG2 3.89Å; L36-I370 HydrophobicContact CD2-CG2 3.81Å; L36-I370 HydrophobicContact CG-CG2 4.38Å; K368-I370 PolarHBondContact O-N 2.88Å
371G30.1Very low34.2Very low10 Ų1082.3 Ų82.310%0.10341%0.408CS..  trans133.6108166.500000113.8
372W28.7Very low33.6Very low25 Ų2583 Ų8310%0.09543%0.432CS..  175.9124.7112.6-101.989.7000115.6V55 L56 N74 V191 R361V55-W372 HydrophobicContact CG1-CH2 3.76Å; V55-W372 HydrophobicContact CG1-CZ3 3.52Å; L56-W372 WeakPolarHBondContact O-CZ3 3.48Å; N74-W372 WeakPolarHBondContact OD1-CZ2 3.39Å; V191-W372 HydrophobicContact CB-CE3 4.25Å; V191-W372 HydrophobicContact CB-CZ3 4.39Å; V191-W372 HydrophobicContact CG1-CD2 3.67Å; V191-W372 HydrophobicContact CG1-CE3 3.14Å; V191-W372 HydrophobicContact CG1-CH2 3.33Å; V191-W372 HydrophobicContact CG1-CZ2 3.85Å; V191-W372 HydrophobicContact CG1-CZ3 2.99Å; R361-W372 PolarHBondContact NE-O 2.91Å
373G34.6Very low32.9Very low17 Ų1790.3 Ų90.318%0.17547%0.465CS..  trans84.4123.2149.800000119Y58 R361Y58-G373 PolarHBondContact OH-N 2.76Å; R361-G373 PolarHBondContact NH1-O 3.26Å; R361-G373 PolarHBondContact NH2-O 3.24Å
374H29.9Very low32.7Very low125 Ų12593.1 Ų93.158%0.57949%0.486SS*.  trans-73162.5168.2-156.3-88.1000113.1
375D36Very low31.9Very low71 Ų71100.1 Ų100.138%0.3852%0.523SS..  trans-86126.1171.7-177.3-1.1000110.6F377D375-F377 PolarHBondContact O-N 3.49Å; D375-F377 PolarHBondContact OD1-N 2.85Å
376P35Very low31.1Very low97 Ų97105 Ų10563%0.6355%0.551SS**THydrogen-bonded Turntrans-76.35.3177.530.4-34.8000115.5
377F28Very low30.5Very low173 Ų173109.3 Ų109.376%0.75956%0.563SS**THydrogen-bonded Turntrans-107.69.6176.5-65-72.4000115.3D375 K379D375-F377 PolarHBondContact O-N 3.49Å; D375-F377 PolarHBondContact OD1-N 2.85Å; F377-K379 PolarHBondContact O-N 3.14Å; F377-K379 VanDerWaalsContact O-N 3.13Å
378D33Very low29.9Very low96 Ų96114.5 Ų114.551%0.51360%0.596SS.*  trans-76.8103.9174.9-157.6-10.7000111.1S380D378-S380 WeakPolarHBondContact OD1-CB 3.35Å; D378-S380 PolarHBondContact OD1-N 2.82Å; D378-S380 PolarHBondContact OD1-OG 2.96Å
379K30.5Very low29.5Very low202 Ų202118.5 Ų118.588%0.87862%0.624SS**  trans-103.116.8171.3-80.8-170.1175.2-173.70112.3F377 E381F377-K379 PolarHBondContact O-N 3.14Å; F377-K379 VanDerWaalsContact O-N 3.13Å; K379-E381 VanDerWaalsContact C-N 3.26Å; K379-E381 PolarHBondContact O-N 2.88Å
380S33Very low29.6Very low94 Ų94123.9 Ų123.966%0.65765%0.652SS**  trans-85.669.7177.864.90000111.8D378D378-S380 WeakPolarHBondContact OD1-CB 3.35Å; D378-S380 PolarHBondContact OD1-N 2.82Å; D378-S380 PolarHBondContact OD1-OG 2.96Å
381E28Very low29.6Very low194 Ų194124.5 Ų124.591%0.90766%0.656SS**  trans-62.2133.6149.4-76.9-170.6164.800108.8K379K379-E381 VanDerWaalsContact C-N 3.26Å; K379-E381 PolarHBondContact O-N 2.88Å
382G27.6Very low29.6Very low68 Ų68130.8 Ų130.870%0.70169%0.687SS**  trans117.183.8156.600000115.8
383K28.1Very low29.6Very low202 Ų202137.1 Ų137.188%0.87872%0.722SS**  166.6145.4105.2-89.1173.1-178.3-178.30111
384P34.8Very low29.3Very low111 Ų111144.6 Ų144.672%0.72176%0.756SS**  trans-81.9158-17536-33.2000110.1
385L23.1Very low29.3Very low160 Ų160145.9 Ų145.984%0.83877%0.768SS**  trans-177.8114.3143.2-96.9147.9000113.5
386N21Very low28.8Very low138 Ų138151.2 Ų151.274%0.73880%0.796SS**  trans37.9118.4137.6-68.8-17000122.1
387Y25.6Very low28.3Very low216 Ų216155.4 Ų155.485%0.84781%0.808SS**  trans5.2145.3132.1-72.6-71.7000118.5
388P26.6Very low28.3Very low123 Ų123153.9 Ų153.980%0.79981%0.812SS**  -142.914760.634.5-14000118.2
389L28.5Very low27.9Very low243 Ų243159.2 Ų159.2100%1.27284%0.84SS**  trans40.20162.4-68.4167.9000119.2

Retrieved 389 of 389 residues in 72 ms (Link to these results)

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