A0A087X0B3_HUMAN Loading...

unspecific monooxygenase

AlphaFold DB , UniProt , Accession A0A087X0B3, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 334 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
1K75Confident85.4Confident185 Ų18575.4 Ų75.480%0.80434%0.339SS*.  0-30.50176.3-179.8173-176.40110.9R5 E161K1-R5 PolarHBondContact O-N 3.02Å; K1-E161 PolarHBondContact N-OE1 2.88Å; K1-E161 PolarHBondContact N-OE2 2.84Å
2E85.5Confident85.2Confident102 Ų10282.8 Ų82.848%0.47736%0.363SS..Hα-helixtrans-71.5-41.5-175.1-58.8-173.7152.700110.9R4 R5 F6 E161E2-R4 PolarHBondContact O-N 2.95Å; E2-R5 PolarHBondContact O-N 2.06Å; E2-R5 VanDerWaalsContact O-N 3.1Å; E2-F6 WeakPolarHBondContact O-CB 3.33Å; E2-F6 PolarHBondContact O-N 2.57Å; E2-E161 PolarHBondContact N-OE2 3.27Å
3I87.3Confident85Confident23 Ų2384.1 Ų84.112%0.11838%0.375CS..Hα-helixtrans-52.1-50.7174.1-62.4170.5000111.6R5 F6 C7 F147 E161 T170I3-R5 VanDerWaalsContact C-N 3.33Å; I3-R5 PolarHBondContact O-N 3.43Å; I3-F6 WeakPolarHBondContact O-CB 3.35Å; I3-F6 PolarHBondContact O-N 2.65Å; I3-C7 WeakPolarHBondContact O-CB 3.29Å; I3-C7 PolarHBondContact O-N 3.11Å; I3-C7 PolarHBondContact O-SG 2.82Å; I3-F147 HydrophobicContact CG2-CE2 4.38Å; I3-E161 HydrophobicContact CD1-CB 4.02Å; I3-E161 HydrophobicContact CG1-CB 4.09Å; I3-T170 HydrophobicContact CG2-CG2 4.37Å; I3-T170 WeakPolarHBondContact CG2-OG1 3.44Å
4R82.8Confident84.4Confident46 Ų4680.2 Ų80.217%0.17436%0.358CS..Hα-helixtrans-59.2-43.8179-178.7174.7176.5137.8-3.2111.8E2 C7 L8 A332 W333 I334E2-R4 PolarHBondContact O-N 2.95Å; R4-C7 PolarHBondContact O-N 3.35Å; R4-L8 HydrophobicContact CG-CD1 4.11Å; R4-L8 HydrophobicContact CG-CG 4.46Å; R4-L8 WeakPolarHBondContact O-CG 3.36Å; R4-L8 PolarHBondContact O-N 3.08Å; R4-A332 HydrophobicContact CB-CB 4.26Å; R4-A332 WeakPolarHBondContact CD-O 3.4Å; R4-A332 HydrophobicContact CG-CB 4.45Å; R4-A332 PolarHBondContact NH1-O 3.32Å; R4-W333 HydrophobicContact CB-CH2 4.47Å; R4-W333 HydrophobicContact CB-CZ2 4.45Å; R4-W333 HydrophobicContact CG-CH2 3.88Å; R4-W333 HydrophobicContact CG-CZ2 4.26Å; R4-W333 HydrophobicContact CG-CZ3 4.16Å; R4-I334 PolarHBondContact NH1-O 3.14Å; R4-I334 PolarHBondContact NH2-O 3.15Å; R4-I334 PolarHBondContact NH2-OXT 2.68Å; R4-I334 VanDerWaalsContact NH2-OXT 3.14Å
5R85.1Confident83.1Confident184 Ų18476.4 Ų76.469%0.69435%0.35SS*.Hα-helixtrans-63.4-45.8178.6-178.1-178.6178.1176.41.5110.7K1 E2 I3 L8 M9K1-R5 PolarHBondContact O-N 3.02Å; E2-R5 PolarHBondContact O-N 2.06Å; E2-R5 VanDerWaalsContact O-N 3.1Å; I3-R5 VanDerWaalsContact C-N 3.33Å; I3-R5 PolarHBondContact O-N 3.43Å; R5-L8 PolarHBondContact O-N 3.43Å; R5-M9 HydrophobicContact CG-SD 4.12Å; R5-M9 WeakPolarHBondContact O-CB 3.48Å; R5-M9 WeakPolarHBondContact O-CG 3.27Å; R5-M9 PolarHBondContact O-N 3.08Å
6F90.1Very high81Confident33 Ų3379.8 Ų79.815%0.14537%0.368CS..Hα-helixtrans-55.8-52.2175.5174.3-95.9000110.6E2 I3 L8 M9 T10 F143 C146 F147 K150 F162E2-F6 WeakPolarHBondContact O-CB 3.33Å; E2-F6 PolarHBondContact O-N 2.57Å; I3-F6 WeakPolarHBondContact O-CB 3.35Å; I3-F6 PolarHBondContact O-N 2.65Å; F6-L8 PolarHBondContact O-N 2.97Å; F6-M9 PolarHBondContact O-N 3.27Å; F6-M9 VanDerWaalsContact O-N 3.14Å; F6-T10 WeakPolarHBondContact O-CB 3.37Å; F6-T10 PolarHBondContact O-N 2.93Å; F6-T10 PolarHBondContact O-OG1 3.35Å; F6-F143 HydrophobicContact CE1-CE2 4.27Å; F6-F143 HydrophobicContact CE1-CZ 4.3Å; F6-C146 HydrophobicContact CZ-CB 4.03Å; F6-C146 WeakPolarHBondContact CZ-O 3.06Å; F6-F147 HydrophobicContact CD1-CD2 4.07Å; F6-F147 HydrophobicContact CE1-CB 4.07Å; F6-F147 AromaticContact CE1-CD2 3.72Å; F6-F147 HydrophobicContact CE1-CD2 3.72Å; F6-F147 HydrophobicContact CE1-CG 4.19Å; F6-F147 HydrophobicContact CZ-CB 4.41Å; F6-K150 HydrophobicContact CD2-CB 4.5Å; F6-K150 HydrophobicContact CD2-CG 4.07Å; F6-K150 HydrophobicContact CE2-CB 3.76Å; F6-K150 HydrophobicContact CE2-CD 4.44Å; F6-K150 HydrophobicContact CE2-CG 3.81Å; F6-K150 HydrophobicContact CZ-CB 4.03Å; F6-K150 HydrophobicContact CZ-CG 4.43Å; F6-F162 HydrophobicContact CB-CE1 4.05Å; F6-F162 HydrophobicContact CB-CZ 3.9Å; F6-F162 AromaticContact CD1-CE1 3.9Å; F6-F162 HydrophobicContact CD1-CE1 3.9Å; F6-F162 HydrophobicContact CD2-CE1 4.04Å; F6-F162 HydrophobicContact CD2-CZ 4.22Å; F6-F162 HydrophobicContact CE1-CE1 4.38Å; F6-F162 AromaticContact CG-CE1 3.71Å; F6-F162 HydrophobicContact CG-CE1 3.71Å; F6-F162 AromaticContact CG-CZ 3.99Å; F6-F162 HydrophobicContact CG-CZ 3.99Å
7C88.1Confident79.7Confident0 Ų077.6 Ų77.60%037%0.373CS..Hα-helixtrans-61.5-43.4-178.4-63.90000113.3I3 R4 M9 T10 L11 F143 T170 W333I3-C7 WeakPolarHBondContact O-CB 3.29Å; I3-C7 PolarHBondContact O-N 3.11Å; I3-C7 PolarHBondContact O-SG 2.82Å; R4-C7 PolarHBondContact O-N 3.35Å; C7-M9 VanDerWaalsContact C-N 3.32Å; C7-M9 PolarHBondContact O-N 2.83Å; C7-T10 PolarHBondContact O-N 3.15Å; C7-L11 VanDerWaalsContact O-CB 3.29Å; C7-L11 WeakPolarHBondContact O-CB 3.01Å; C7-L11 VanDerWaalsContact O-CG 3.31Å; C7-L11 WeakPolarHBondContact O-CG 3.5Å; C7-L11 PolarHBondContact O-N 3.44Å; C7-F143 HydrophobicContact CB-CE2 4.1Å; C7-F143 HydrophobicContact CB-CZ 4.39Å; C7-F143 WeakPolarHBondContact SG-CZ 3.49Å; C7-T170 WeakPolarHBondContact SG-CG2 3.22Å; C7-W333 HydrophobicContact CB-CH2 3.28Å; C7-W333 HydrophobicContact CB-CZ2 3.21Å
8L85.4Confident78.5Confident88 Ų8886 Ų8646%0.46141%0.407SS..Hα-helixtrans-61.9-40.9175.7-75172.6000112R4 R5 F6 R12 W333R4-L8 HydrophobicContact CG-CD1 4.11Å; R4-L8 HydrophobicContact CG-CG 4.46Å; R4-L8 WeakPolarHBondContact O-CG 3.36Å; R4-L8 PolarHBondContact O-N 3.08Å; R5-L8 PolarHBondContact O-N 3.43Å; F6-L8 PolarHBondContact O-N 2.97Å; L8-R12 VanDerWaalsContact O-CB 3.23Å; L8-R12 WeakPolarHBondContact O-CB 3.37Å; L8-R12 PolarHBondContact O-N 3.48Å; L8-W333 HydrophobicContact CD2-CH2 4.31Å; L8-W333 HydrophobicContact CD2-CZ3 3.79Å; L8-W333 HydrophobicContact CG-CH2 4.02Å; L8-W333 HydrophobicContact CG-CZ3 3.93Å
9M87.5Confident78Confident101 Ų10186 Ų8650%0.49840%0.403SS..Hα-helixtrans-65.9-45.8176.2-73-179.858.800111.1R5 F6 C7 R12 N13R5-M9 HydrophobicContact CG-SD 4.12Å; R5-M9 WeakPolarHBondContact O-CB 3.48Å; R5-M9 WeakPolarHBondContact O-CG 3.27Å; R5-M9 PolarHBondContact O-N 3.08Å; F6-M9 PolarHBondContact O-N 3.27Å; F6-M9 VanDerWaalsContact O-N 3.14Å; C7-M9 VanDerWaalsContact C-N 3.32Å; C7-M9 PolarHBondContact O-N 2.83Å; M9-R12 PolarHBondContact O-N 3.45Å; M9-N13 WeakPolarHBondContact O-CB 3.2Å; M9-N13 PolarHBondContact O-N 3.22Å; M9-N13 PolarHBondContact O-ND2 3.06Å; M9-N13 PolarHBondContact O-OD1 3.3Å
10T88.2Confident78.2Confident9 Ų983 Ų836%0.05539%0.392CS..Hα-helixtrans-63.7-47.7179.5-57.30000111.4F6 C7 R12 N13 F14 F143 C146F6-T10 WeakPolarHBondContact O-CB 3.37Å; F6-T10 PolarHBondContact O-N 2.93Å; F6-T10 PolarHBondContact O-OG1 3.35Å; C7-T10 PolarHBondContact O-N 3.15Å; T10-R12 VanDerWaalsContact C-N 3.34Å; T10-R12 PolarHBondContact O-N 2.86Å; T10-N13 WeakPolarHBondContact O-CB 3.42Å; T10-N13 PolarHBondContact O-N 2.76Å; T10-N13 VanDerWaalsContact O-N 3.13Å; T10-F14 HydrophobicContact CG2-CD2 3.72Å; T10-F14 HydrophobicContact CG2-CE2 3.48Å; T10-F14 VanDerWaalsContact CG2-CE2 3.48Å; T10-F14 WeakPolarHBondContact O-CD2 3.47Å; T10-F14 PolarHBondContact O-N 2.76Å; T10-F143 HydrophobicContact CG2-CD2 3.62Å; T10-F143 HydrophobicContact CG2-CE2 4.16Å; T10-C146 HydrophobicContact CG2-CB 3.87Å
11L84.1Confident78.5Confident58 Ų5882.7 Ų82.730%0.30439%0.392SS..Hα-helixtrans-59.1-43.2175.1-77.6173.7000112.3C7 N13 F14 G15 V61 M174C7-L11 VanDerWaalsContact O-CB 3.29Å; C7-L11 WeakPolarHBondContact O-CB 3.01Å; C7-L11 VanDerWaalsContact O-CG 3.31Å; C7-L11 WeakPolarHBondContact O-CG 3.5Å; C7-L11 PolarHBondContact O-N 3.44Å; L11-N13 VanDerWaalsContact C-N 3.32Å; L11-N13 PolarHBondContact O-N 3.1Å; L11-F14 PolarHBondContact O-N 2.9Å; L11-G15 PolarHBondContact O-N 2.81Å; L11-V61 HydrophobicContact CD2-CG1 3.77Å; L11-M174 HydrophobicContact CD1-CE 3.96Å; L11-M174 HydrophobicContact CD2-CE 3.5Å; L11-M174 HydrophobicContact CG-CE 3.9Å
12R82.8Confident79.2Confident165 Ų16576.7 Ų76.762%0.62337%0.367SS*.Hα-helixtrans-62.2-41.2175.1-177.3179.3172.8169.12.2111.5L8 M9 T10 G15 M16L8-R12 VanDerWaalsContact O-CB 3.23Å; L8-R12 WeakPolarHBondContact O-CB 3.37Å; L8-R12 PolarHBondContact O-N 3.48Å; M9-R12 PolarHBondContact O-N 3.45Å; T10-R12 VanDerWaalsContact C-N 3.34Å; T10-R12 PolarHBondContact O-N 2.86Å; R12-G15 CarbonylContact O-C 3.56Å; R12-G15 WeakPolarHBondContact O-CA 3.47Å; R12-G15 PolarHBondContact O-N 2.79Å; R12-G15 VanDerWaalsContact O-N 3.15Å; R12-M16 HydrophobicContact CG-CE 3.69Å; R12-M16 HydrophobicContact CG-SD 3.91Å; R12-M16 WeakPolarHBondContact O-CG 3.5Å; R12-M16 PolarHBondContact O-N 3.24Å
13N82.9Confident79.4Confident99 Ų9974.9 Ų74.953%0.52936%0.36SS..Hα-helixtrans-66.2-39.1177.7-69.8-12000111.9M9 T10 L11 G15 M16 G17M9-N13 WeakPolarHBondContact O-CB 3.2Å; M9-N13 PolarHBondContact O-N 3.22Å; M9-N13 PolarHBondContact O-ND2 3.06Å; M9-N13 PolarHBondContact O-OD1 3.3Å; T10-N13 WeakPolarHBondContact O-CB 3.42Å; T10-N13 PolarHBondContact O-N 2.76Å; T10-N13 VanDerWaalsContact O-N 3.13Å; L11-N13 VanDerWaalsContact C-N 3.32Å; L11-N13 PolarHBondContact O-N 3.1Å; N13-G15 PolarHBondContact O-N 2.74Å; N13-M16 CarbonylContact O-C 3.42Å; N13-M16 PolarHBondContact O-N 3.08Å; N13-M16 VanDerWaalsContact O-N 3.15Å; N13-G17 WeakPolarHBondContact O-CA 3.38Å; N13-G17 PolarHBondContact O-N 3.42Å
14F77.2Confident79.6Confident30 Ų3074.5 Ų74.513%0.13236%0.357CS..Hα-helixtrans-69-23.5172.2-77.8-67.8000113.1T10 L11 V61 D142T10-F14 HydrophobicContact CG2-CD2 3.72Å; T10-F14 HydrophobicContact CG2-CE2 3.48Å; T10-F14 VanDerWaalsContact CG2-CE2 3.48Å; T10-F14 WeakPolarHBondContact O-CD2 3.47Å; T10-F14 PolarHBondContact O-N 2.76Å; L11-F14 PolarHBondContact O-N 2.9Å; F14-V61 HydrophobicContact CB-CG1 4.28Å; F14-V61 HydrophobicContact CD2-CG1 4.43Å; F14-V61 HydrophobicContact CG-CG1 4.42Å; F14-D142 WeakPolarHBondContact CZ-O 3.46Å
15G64.9Low80.1Confident23 Ų2376 Ų7624%0.23737%0.371CS..Hα-helixtrans-75.1-27.8168.500000114.3L11 R12 N13L11-G15 PolarHBondContact O-N 2.81Å; R12-G15 CarbonylContact O-C 3.56Å; R12-G15 WeakPolarHBondContact O-CA 3.47Å; R12-G15 PolarHBondContact O-N 2.79Å; R12-G15 VanDerWaalsContact O-N 3.15Å; N13-G15 PolarHBondContact O-N 2.74Å
16M49.2Very low80.5Confident131 Ų13169 Ų6965%0.64535%0.346SS*.Hα-helixtrans-107.32-176.1-64.5179.9-17800114.1R12 N13R12-M16 HydrophobicContact CG-CE 3.69Å; R12-M16 HydrophobicContact CG-SD 3.91Å; R12-M16 WeakPolarHBondContact O-CG 3.5Å; R12-M16 PolarHBondContact O-N 3.24Å; N13-M16 CarbonylContact O-C 3.42Å; N13-M16 PolarHBondContact O-N 3.08Å; N13-M16 VanDerWaalsContact O-N 3.15Å
17G58.8Low80.7Confident43 Ų4370.7 Ų70.744%0.44336%0.355SS..SBendtrans-81.7-164.6-174.500000114.4N13 R19N13-G17 WeakPolarHBondContact O-CA 3.38Å; N13-G17 PolarHBondContact O-N 3.42Å; G17-R19 PolarHBondContact O-N 3.23Å; G17-R19 VanDerWaalsContact O-N 3.13Å
18K58Low81Confident228 Ų22870.9 Ų70.999%0.99136%0.356SS*.SBendtrans-57.1-27.9-178.9-72.1-177179.3175.80114.2
19R69.9Low81.5Confident86 Ų8668.9 Ų68.933%0.32535%0.352SS..SBendtrans-128114.4173.9-174176.5-175.4-167.5-5.5107.6G17 D23 R24 E27G17-R19 PolarHBondContact O-N 3.23Å; G17-R19 VanDerWaalsContact O-N 3.13Å; R19-D23 HydrophobicContact CG-CB 3.81Å; R19-D23 PolarHBondContact NH2-O 2.99Å; R19-R24 HydrophobicContact CG-CG 4.27Å; R19-E27 IonicContact CZ-OE2 3.38Å; R19-E27 IonicContact NH1-OE2 3.29Å; R19-E27 PolarHBondContact NH1-OE2 3.04Å; R19-E27 VanDerWaalsContact NH2-CD 3.26Å; R19-E27 IonicContact NH2-OE1 2.98Å; R19-E27 IonicContact NH2-OE2 2.73Å; R19-E27 PolarHBondContact NH2-OE2 3.11Å
20S81Confident81.8Confident26 Ų2670.3 Ų70.318%0.18235%0.352CS..  trans-71.9162.8-176.970.10000111.2E22 D23 R24S20-E22 PolarHBondContact O-N 3.44Å; S20-E22 PolarHBondContact OG-N 2.88Å; S20-D23 WeakPolarHBondContact CB-OD2 3.46Å; S20-D23 PolarHBondContact N-OD2 3.42Å; S20-D23 PolarHBondContact O-N 3.45Å; S20-D23 PolarHBondContact OG-N 3.03Å; S20-D23 VanDerWaalsContact OG-N 3.09Å; S20-D23 PolarHBondContact OG-OD2 3.22Å; S20-R24 PolarHBondContact O-N 2.72Å
21I84.8Confident82.2Confident77 Ų7771.2 Ų71.240%0.39536%0.358SS..Hα-helixtrans-62.1-31.6171.6-165.563.1000111.2R24 V25 V57 V61I21-R24 PolarHBondContact O-N 3.13Å; I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 3.1Å; I21-V57 HydrophobicContact CD1-CG1 3.85Å; I21-V61 HydrophobicContact CD1-CG2 3.94Å
22E88.7Confident82.7Confident58 Ų5869.7 Ų69.727%0.27135%0.35SS..Hα-helixtrans-61.4-45.7174.4177.2176.3-168.700111.3S20 R24 V25 Q26 C218 M219S20-E22 PolarHBondContact O-N 3.44Å; S20-E22 PolarHBondContact OG-N 2.88Å; E22-R24 PolarHBondContact O-N 3.26Å; E22-V25 PolarHBondContact O-N 3.35Å; E22-Q26 HydrophobicContact CG-CG 4.45Å; E22-Q26 WeakPolarHBondContact O-CB 3.35Å; E22-Q26 WeakPolarHBondContact O-CG 3.23Å; E22-Q26 PolarHBondContact O-N 3.08Å; E22-C218 VanDerWaalsContact OE1-CA 3.28Å; E22-C218 WeakPolarHBondContact OE1-CA 3.19Å; E22-C218 WeakPolarHBondContact OE1-CB 3.45Å; E22-M219 HydrophobicContact CB-CG 4.29Å; E22-M219 HydrophobicContact CG-CG 3.96Å; E22-M219 PolarHBondContact OE1-N 2.73Å
23D90.1Very high83.3Confident65 Ų6564.9 Ų64.935%0.34834%0.339SS..Hα-helixtrans-62.8-32.4178-59.4-47000112.5R19 S20 E27R19-D23 HydrophobicContact CG-CB 3.81Å; R19-D23 PolarHBondContact NH2-O 2.99Å; S20-D23 WeakPolarHBondContact CB-OD2 3.46Å; S20-D23 PolarHBondContact N-OD2 3.42Å; S20-D23 PolarHBondContact O-N 3.45Å; S20-D23 PolarHBondContact OG-N 3.03Å; S20-D23 VanDerWaalsContact OG-N 3.09Å; S20-D23 PolarHBondContact OG-OD2 3.22Å; D23-E27 WeakPolarHBondContact O-CB 3.32Å; D23-E27 PolarHBondContact O-N 3.11Å; D23-E27 VanDerWaalsContact O-N 3.11Å
24R91.6Very high83.8Confident15 Ų1565 Ų656%0.05734%0.336CS..Hα-helixtrans-71.1-45.9175.8-65.6167.8-176.9-93.17.7110.7R19 S20 I21 E22 Q26 E27 E28 S60R19-R24 HydrophobicContact CG-CG 4.27Å; S20-R24 PolarHBondContact O-N 2.72Å; I21-R24 PolarHBondContact O-N 3.13Å; E22-R24 PolarHBondContact O-N 3.26Å; R24-Q26 PolarHBondContact O-N 3Å; R24-E27 PolarHBondContact O-N 3.09Å; R24-E28 PolarHBondContact O-N 2.84Å; R24-S60 WeakPolarHBondContact CD-OG 3.26Å; R24-S60 PolarHBondContact NH1-O 2.84Å; R24-S60 PolarHBondContact NH1-OG 3.35Å
25V93.4Very high84.7Confident76 Ų7665 Ų6546%0.46134%0.336SS..Hα-helixtrans-63.2-41.1176.1172.70000111.2I21 E22 E28 A29 V57I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 3.1Å; E22-V25 PolarHBondContact O-N 3.35Å; V25-E28 PolarHBondContact O-N 3.07Å; V25-A29 VanDerWaalsContact O-CB 3.24Å; V25-A29 WeakPolarHBondContact O-CB 3.32Å; V25-A29 PolarHBondContact O-N 2.84Å; V25-V57 HydrophobicContact CG2-CG1 4.06Å; V25-V57 HydrophobicContact CG2-CG2 4.07Å
26Q94.2Very high86Confident37 Ų3766.8 Ų66.817%0.17334%0.341CS..Hα-helixtrans-66.3-38.9177-76.5-175.8-12.900112.8E22 R24 R30 P217E22-Q26 HydrophobicContact CG-CG 4.45Å; E22-Q26 WeakPolarHBondContact O-CB 3.35Å; E22-Q26 WeakPolarHBondContact O-CG 3.23Å; E22-Q26 PolarHBondContact O-N 3.08Å; R24-Q26 PolarHBondContact O-N 3Å; Q26-R30 WeakPolarHBondContact O-CG 3.37Å; Q26-R30 PolarHBondContact O-N 3.38Å; Q26-P217 PolarHBondContact NE2-O 3.29Å
27E93.9Very high88.2Confident69 Ų6969.2 Ų69.232%0.32234%0.343SS..Hα-helixtrans-61-52.7172.4178.6176.9-129.100110.7R19 D23 R24 A29 R30 C31R19-E27 IonicContact CZ-OE2 3.38Å; R19-E27 IonicContact NH1-OE2 3.29Å; R19-E27 PolarHBondContact NH1-OE2 3.04Å; R19-E27 VanDerWaalsContact NH2-CD 3.26Å; R19-E27 IonicContact NH2-OE1 2.98Å; R19-E27 IonicContact NH2-OE2 2.73Å; R19-E27 PolarHBondContact NH2-OE2 3.11Å; D23-E27 WeakPolarHBondContact O-CB 3.32Å; D23-E27 PolarHBondContact O-N 3.11Å; D23-E27 VanDerWaalsContact O-N 3.11Å; R24-E27 PolarHBondContact O-N 3.09Å; E27-A29 VanDerWaalsContact C-N 3.29Å; E27-A29 PolarHBondContact O-N 3.32Å; E27-R30 WeakPolarHBondContact O-CB 3.5Å; E27-R30 PolarHBondContact O-N 2.9Å; E27-R30 VanDerWaalsContact O-N 3.08Å; E27-C31 PolarHBondContact O-N 3.4Å
28E95.2Very high89.8Confident4 Ų471.9 Ų71.92%0.01934%0.342CS..Hα-helixtrans-64.1-33.5179.8-72.6-46.7132.800113R24 V25 R30 C31 L32 N56 V57 R66R24-E28 PolarHBondContact O-N 2.84Å; V25-E28 PolarHBondContact O-N 3.07Å; E28-R30 VanDerWaalsContact C-N 3.3Å; E28-R30 PolarHBondContact O-N 3.14Å; E28-C31 PolarHBondContact O-N 3.19Å; E28-L32 VanDerWaalsContact O-CB 3.28Å; E28-L32 WeakPolarHBondContact O-CB 3.45Å; E28-L32 PolarHBondContact O-N 2.83Å; E28-N56 HydrophobicContact CG-CB 3.82Å; E28-N56 WeakPolarHBondContact OE2-CB 3.22Å; E28-N56 PolarHBondContact OE2-ND2 3.34Å; E28-V57 HydrophobicContact CB-CG2 3.93Å; E28-V57 HydrophobicContact CG-CG2 3.69Å; E28-R66 WeakPolarHBondContact OE1-CD 3.41Å; E28-R66 WeakPolarHBondContact OE1-CG 3.38Å; E28-R66 IonicContact OE1-CZ 3.94Å; E28-R66 IonicContact OE1-NE 3.34Å; E28-R66 PolarHBondContact OE1-NE 3.49Å; E28-R66 IonicContact OE1-NH2 2.84Å; E28-R66 IonicContact OE2-CZ 3.41Å; E28-R66 IonicContact OE2-NE 3.69Å; E28-R66 PolarHBondContact OE2-NE 2.98Å; E28-R66 IonicContact OE2-NH2 3.69Å; E28-R66 PolarHBondContact OE2-NH2 3.36Å
29A95.3Very high91.5Very high46 Ų4662.8 Ų62.838%0.3831%0.305SS..Hα-helixtrans-61.8-37.9174.600000111.9V25 E27 L32 V33V25-A29 VanDerWaalsContact O-CB 3.24Å; V25-A29 WeakPolarHBondContact O-CB 3.32Å; V25-A29 PolarHBondContact O-N 2.84Å; E27-A29 VanDerWaalsContact C-N 3.29Å; E27-A29 PolarHBondContact O-N 3.32Å; A29-L32 PolarHBondContact O-N 3.45Å; A29-V33 VanDerWaalsContact O-CG2 3.3Å; A29-V33 WeakPolarHBondContact O-CG2 3.3Å; A29-V33 PolarHBondContact O-N 3.36Å
30R94.5Very high92.5Very high132 Ų13265.1 Ų65.150%0.49833%0.325SS..Hα-helixtrans-65.8-45.4175.4-69.2174.3-167.1121.17.3111.1Q26 E27 E28 V33 E34 S216Q26-R30 WeakPolarHBondContact O-CG 3.37Å; Q26-R30 PolarHBondContact O-N 3.38Å; E27-R30 WeakPolarHBondContact O-CB 3.5Å; E27-R30 PolarHBondContact O-N 2.9Å; E27-R30 VanDerWaalsContact O-N 3.08Å; E28-R30 VanDerWaalsContact C-N 3.3Å; E28-R30 PolarHBondContact O-N 3.14Å; R30-V33 PolarHBondContact O-N 3.03Å; R30-E34 PolarHBondContact O-N 3.13Å; R30-S216 PolarHBondContact NE-OG 3.19Å; R30-S216 PolarHBondContact NH2-OG 2.85Å
31C95.3Very high93Very high27 Ų2768.8 Ų68.818%0.18236%0.356CS..Hα-helixtrans-62.7-42.6176.7-62.80000111.8E27 E28 V33 E34 E35 R66E27-C31 PolarHBondContact O-N 3.4Å; E28-C31 PolarHBondContact O-N 3.19Å; C31-V33 VanDerWaalsContact C-N 3.35Å; C31-V33 PolarHBondContact O-N 2.96Å; C31-E34 WeakPolarHBondContact O-CB 3.43Å; C31-E34 PolarHBondContact O-N 3.3Å; C31-E34 VanDerWaalsContact O-N 3.13Å; C31-E35 WeakPolarHBondContact O-CG 3.42Å; C31-E35 PolarHBondContact O-N 3.45Å; C31-R66 VanDerWaalsContact SG-CZ 3.59Å; C31-R66 PolarHBondContact SG-NH2 2.95Å
32L95.6Very high93.4Very high27 Ų2768.5 Ų68.514%0.14136%0.361CS..Hα-helixtrans-58.2-46.3175.8175.760.9000111.6E28 A29 E34 E35 L36 I49 L50 A53 Y69E28-L32 VanDerWaalsContact O-CB 3.28Å; E28-L32 WeakPolarHBondContact O-CB 3.45Å; E28-L32 PolarHBondContact O-N 2.83Å; A29-L32 PolarHBondContact O-N 3.45Å; L32-E34 VanDerWaalsContact C-N 3.29Å; L32-E34 PolarHBondContact O-N 3.31Å; L32-E35 PolarHBondContact O-N 2.88Å; L32-L36 HydrophobicContact CD1-CD1 4.25Å; L32-L36 HydrophobicContact CD1-CG 4.32Å; L32-L36 HydrophobicContact CG-CD1 4.12Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.29Å; L32-I49 HydrophobicContact CD1-CG2 3.56Å; L32-I49 VanDerWaalsContact CD1-O 3.29Å; L32-I49 WeakPolarHBondContact CD1-O 3.45Å; L32-L50 HydrophobicContact CD1-CD2 4.26Å; L32-L50 HydrophobicContact CD2-CD2 4.3Å; L32-A53 HydrophobicContact CB-CB 4.3Å; L32-A53 HydrophobicContact CD1-CB 4.47Å; L32-A53 HydrophobicContact CD2-CB 4.03Å; L32-Y69 HydrophobicContact CD1-CE1 4.3Å
33V94.4Very high93.7Very high64 Ų6472.4 Ų72.439%0.38839%0.391SS..Hα-helixtrans-62.4-38.1176.6169.30000111.3A29 R30 C31 L36 R37A29-V33 VanDerWaalsContact O-CG2 3.3Å; A29-V33 WeakPolarHBondContact O-CG2 3.3Å; A29-V33 PolarHBondContact O-N 3.36Å; R30-V33 PolarHBondContact O-N 3.03Å; C31-V33 VanDerWaalsContact C-N 3.35Å; C31-V33 PolarHBondContact O-N 2.96Å; V33-L36 PolarHBondContact O-N 2.89Å; V33-R37 VanDerWaalsContact O-CG 3.3Å; V33-R37 WeakPolarHBondContact O-CG 3.37Å; V33-R37 PolarHBondContact O-N 3.42Å
34E94.7Very high93.7Very high101 Ų10172.5 Ų72.547%0.47240%0.396SS..Hα-helixtrans-63.5-44.6175.5-162.6-166.1135.600111.9R30 C31 L32 R37 K38R30-E34 PolarHBondContact O-N 3.13Å; C31-E34 WeakPolarHBondContact O-CB 3.43Å; C31-E34 PolarHBondContact O-N 3.3Å; C31-E34 VanDerWaalsContact O-N 3.13Å; L32-E34 VanDerWaalsContact C-N 3.29Å; L32-E34 PolarHBondContact O-N 3.31Å; E34-R37 WeakPolarHBondContact O-CB 3.32Å; E34-R37 PolarHBondContact O-N 3.1Å; E34-K38 WeakPolarHBondContact O-CG 3.49Å; E34-K38 PolarHBondContact O-N 3.13Å; E34-K38 VanDerWaalsContact OE1-CE 3.27Å; E34-K38 WeakPolarHBondContact OE1-CE 3.23Å; E34-K38 IonicContact OE1-NZ 2.65Å; E34-K38 PolarHBondContact OE1-NZ 3.37Å
35E94.5Very high93.6Very high29 Ų2977.2 Ų77.214%0.13642%0.423CS..Hα-helixtrans-65.5-40.4177.1-69-61.1137.800112.1C31 L32 R37 K38 I49 Y69C31-E35 WeakPolarHBondContact O-CG 3.42Å; C31-E35 PolarHBondContact O-N 3.45Å; L32-E35 PolarHBondContact O-N 2.88Å; E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 3.35Å; E35-K38 WeakPolarHBondContact O-CB 3.45Å; E35-K38 PolarHBondContact O-N 2.83Å; E35-K38 IonicContact OE1-NZ 3.11Å; E35-K38 PolarHBondContact OE1-NZ 3.4Å; E35-I49 HydrophobicContact CB-CG2 4.22Å; E35-Y69 HydrophobicContact CB-CD1 3.98Å; E35-Y69 HydrophobicContact CB-CE1 4.15Å; E35-Y69 HydrophobicContact CG-CD1 3.51Å; E35-Y69 HydrophobicContact CG-CD2 4.43Å; E35-Y69 HydrophobicContact CG-CE1 3.9Å; E35-Y69 HydrophobicContact CG-CG 3.79Å
36L93.2Very high93.5Very high62 Ų6275.6 Ų75.633%0.32541%0.414SS..Hα-helixtrans-62.4-37.6173.1-72.4170.5000111.9L32 V33 K38 T39 I49L32-L36 HydrophobicContact CD1-CD1 4.25Å; L32-L36 HydrophobicContact CD1-CG 4.32Å; L32-L36 HydrophobicContact CG-CD1 4.12Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.29Å; V33-L36 PolarHBondContact O-N 2.89Å; L36-K38 VanDerWaalsContact C-N 3.31Å; L36-K38 PolarHBondContact O-N 2.95Å; L36-T39 WeakPolarHBondContact O-CB 3.39Å; L36-T39 WeakPolarHBondContact O-CG2 3.48Å; L36-T39 PolarHBondContact O-N 3.41Å; L36-T39 PolarHBondContact O-OG1 3.06Å; L36-I49 HydrophobicContact CD2-CG2 3.82Å; L36-I49 HydrophobicContact CG-CG2 4.02Å
37R94.1Very high93.2Very high182 Ų18274.9 Ų74.969%0.68741%0.412SS*.Hα-helixtrans-64.3-33.8176.1-76.5172-178.5159.71.6112.7V33 E34 E35 T39 N40V33-R37 VanDerWaalsContact O-CG 3.3Å; V33-R37 WeakPolarHBondContact O-CG 3.37Å; V33-R37 PolarHBondContact O-N 3.42Å; E34-R37 WeakPolarHBondContact O-CB 3.32Å; E34-R37 PolarHBondContact O-N 3.1Å; E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 3.35Å; R37-T39 PolarHBondContact O-N 2.86Å; R37-T39 VanDerWaalsContact O-N 3.15Å; R37-N40 PolarHBondContact O-N 2.65Å
38K94.1Very high92.9Very high98 Ų9876 Ų7643%0.42642%0.416SS..Hα-helixtrans-62.5-19.4178.6-68.8168.7-170.3168.20113E34 E35 L36 N40E34-K38 WeakPolarHBondContact O-CG 3.49Å; E34-K38 PolarHBondContact O-N 3.13Å; E34-K38 VanDerWaalsContact OE1-CE 3.27Å; E34-K38 WeakPolarHBondContact OE1-CE 3.23Å; E34-K38 IonicContact OE1-NZ 2.65Å; E34-K38 PolarHBondContact OE1-NZ 3.37Å; E35-K38 WeakPolarHBondContact O-CB 3.45Å; E35-K38 PolarHBondContact O-N 2.83Å; E35-K38 IonicContact OE1-NZ 3.11Å; E35-K38 PolarHBondContact OE1-NZ 3.4Å; L36-K38 VanDerWaalsContact C-N 3.31Å; L36-K38 PolarHBondContact O-N 2.95Å; K38-N40 PolarHBondContact O-N 3.13Å
39T92.4Very high92.7Very high37 Ų3777.3 Ų77.323%0.22742%0.423CS..THydrogen-bonded Turntrans-67.9-15.4174.271.20000113L36 R37 A41 S42 C44 I49L36-T39 WeakPolarHBondContact O-CB 3.39Å; L36-T39 WeakPolarHBondContact O-CG2 3.48Å; L36-T39 PolarHBondContact O-N 3.41Å; L36-T39 PolarHBondContact O-OG1 3.06Å; R37-T39 PolarHBondContact O-N 2.86Å; R37-T39 VanDerWaalsContact O-N 3.15Å; T39-A41 PolarHBondContact O-N 3.11Å; T39-S42 VanDerWaalsContact O-CB 3.24Å; T39-S42 WeakPolarHBondContact O-CB 3.44Å; T39-S42 PolarHBondContact O-N 3.32Å; T39-S42 PolarHBondContact O-OG 2.75Å; T39-C44 HydrophobicContact CG2-CB 4.34Å; T39-I49 HydrophobicContact CG2-CD1 4.18Å
40N92.4Very high92.5Very high136 Ų13675.5 Ų75.573%0.72741%0.407SS*.THydrogen-bonded Turntrans5041.1-178.5-64.4-43000112.9R37 K38 S42R37-N40 PolarHBondContact O-N 2.65Å; K38-N40 PolarHBondContact O-N 3.13Å; N40-S42 PolarHBondContact O-N 3.47Å
41A90.8Very high92.3Very high102 Ų10269.3 Ų69.384%0.84338%0.384SS*.THydrogen-bonded Turntrans57.615.9-17700000114.9T39T39-A41 PolarHBondContact O-N 3.11Å
42S94Very high92.1Very high72 Ų7268.1 Ų68.150%0.50338%0.376SS..  trans-77.3145.7172.5-59.30000110.1T39 N40 C44T39-S42 VanDerWaalsContact O-CB 3.24Å; T39-S42 WeakPolarHBondContact O-CB 3.44Å; T39-S42 PolarHBondContact O-N 3.32Å; T39-S42 PolarHBondContact O-OG 2.75Å; N40-S42 PolarHBondContact O-N 3.47Å; S42-C44 PolarHBondContact O-N 3.37Å
43P93.1Very high92Very high139 Ų13967.3 Ų67.390%0.90337%0.373SS*.  trans-53.6128.9172.3-25.534.7000111
44C91.4Very high91.9Very high67 Ų6764.9 Ų64.945%0.45336%0.359SS..  trans-143.3155.5177.762.30000110.3T39 S42 P46T39-C44 HydrophobicContact CG2-CB 4.34Å; S42-C44 PolarHBondContact O-N 3.37Å; C44-P46 WeakPolarHBondContact O-CD 3.45Å
45D90.2Very high91.8Very high115 Ų11560.1 Ų60.162%0.61534%0.337SS*.  trans-81.2114.9167.6-175.4-17.4000108.6T47D45-T47 PolarHBondContact O-N 2.8Å; D45-T47 WeakPolarHBondContact OD1-CB 3.48Å; D45-T47 PolarHBondContact OD1-N 3.38Å; D45-T47 PolarHBondContact OD1-OG1 3.14Å
46P90.7Very high91.8Very high42 Ų4258.7 Ų58.727%0.27333%0.33SS..  trans-81.91.9-176.336.9-38.1000112.9C44 F48 I49 L50C44-P46 WeakPolarHBondContact O-CD 3.45Å; P46-F48 PolarHBondContact O-N 3.02Å; P46-I49 PolarHBondContact O-N 2.75Å; P46-L50 HydrophobicContact CB-CD1 3.71Å; P46-L50 HydrophobicContact CB-CG 4.03Å; P46-L50 HydrophobicContact CG-CD1 4.08Å; P46-L50 WeakPolarHBondContact O-CB 3.31Å; P46-L50 WeakPolarHBondContact O-CG 3.46Å; P46-L50 PolarHBondContact O-N 2.97Å
47T88.1Confident91.7Very high22 Ų2256.8 Ų56.814%0.13532%0.321CS..Hα-helixtrans-54.4-49.7-171.3-63.80000112.8D45 G51 R187D45-T47 PolarHBondContact O-N 2.8Å; D45-T47 WeakPolarHBondContact OD1-CB 3.48Å; D45-T47 PolarHBondContact OD1-N 3.38Å; D45-T47 PolarHBondContact OD1-OG1 3.14Å; T47-G51 PolarHBondContact O-N 2.84Å; T47-G51 VanDerWaalsContact O-N 3.07Å; T47-R187 PolarHBondContact OG1-NE 3.05Å; T47-R187 VanDerWaalsContact OG1-NE 3.08Å; T47-R187 PolarHBondContact OG1-NH2 2.89Å
48F86.1Confident91.6Very high92 Ų9249.3 Ų49.340%0.40429%0.294SS..Hα-helixtrans-77.6-36.8178.9-68.8-72000112.6P46 L50 G51 C52 L75 M78 E79P46-F48 PolarHBondContact O-N 3.02Å; F48-L50 PolarHBondContact O-N 2.94Å; F48-G51 PolarHBondContact O-N 2.84Å; F48-C52 PolarHBondContact O-N 3.39Å; F48-C52 PolarHBondContact O-SG 3.26Å; F48-L75 HydrophobicContact CB-CD2 4.3Å; F48-L75 HydrophobicContact CD1-CD2 4.18Å; F48-L75 HydrophobicContact CG-CD2 4.43Å; F48-M78 HydrophobicContact CD1-CE 4.14Å; F48-E79 HydrophobicContact CE1-CB 4.43Å
49I90.8Very high91.4Very high31 Ų3144.6 Ų44.616%0.15927%0.274CS..Hα-helixtrans-61-47179.3-61.5173.5000110.2L32 E35 L36 T39 P46 G51 Y69L32-I49 HydrophobicContact CD1-CG2 3.56Å; L32-I49 VanDerWaalsContact CD1-O 3.29Å; L32-I49 WeakPolarHBondContact CD1-O 3.45Å; E35-I49 HydrophobicContact CB-CG2 4.22Å; L36-I49 HydrophobicContact CD2-CG2 3.82Å; L36-I49 HydrophobicContact CG-CG2 4.02Å; T39-I49 HydrophobicContact CG2-CD1 4.18Å; P46-I49 PolarHBondContact O-N 2.75Å; I49-G51 VanDerWaalsContact C-N 3.34Å; I49-Y69 HydrophobicContact CG2-CE1 4.44Å; I49-Y69 WeakPolarHBondContact O-CE1 3.39Å
50L91.5Very high91.4Very high8 Ų843.3 Ų43.34%0.04227%0.266CS..Hα-helixtrans-75.3-23.4177.2-63.4171.8000113.2L32 P46 F48 P54 R187 L190L32-L50 HydrophobicContact CD1-CD2 4.26Å; L32-L50 HydrophobicContact CD2-CD2 4.3Å; P46-L50 HydrophobicContact CB-CD1 3.71Å; P46-L50 HydrophobicContact CB-CG 4.03Å; P46-L50 HydrophobicContact CG-CD1 4.08Å; P46-L50 WeakPolarHBondContact O-CB 3.31Å; P46-L50 WeakPolarHBondContact O-CG 3.46Å; P46-L50 PolarHBondContact O-N 2.97Å; F48-L50 PolarHBondContact O-N 2.94Å; L50-P54 WeakPolarHBondContact O-CD 3.23Å; L50-R187 HydrophobicContact CB-CG 4.33Å; L50-R187 HydrophobicContact CD1-CB 4.5Å; L50-R187 HydrophobicContact CD1-CG 3.75Å; L50-L190 HydrophobicContact CD1-CD1 3.55Å; L50-L190 HydrophobicContact CD1-CG 4.36Å; L50-L190 HydrophobicContact CD2-CD1 4.08Å; L50-L190 HydrophobicContact CG-CD1 4.38Å
51G90.2Very high91.3Very high3 Ų337.1 Ų37.13%0.03123%0.233CC..Hα-helixtrans-74.2-38.5175.100000113.3T47 F48 I49 A53 P54 C55 S183T47-G51 PolarHBondContact O-N 2.84Å; T47-G51 VanDerWaalsContact O-N 3.07Å; F48-G51 PolarHBondContact O-N 2.84Å; I49-G51 VanDerWaalsContact C-N 3.34Å; G51-A53 VanDerWaalsContact C-N 3.31Å; G51-A53 PolarHBondContact O-N 2.67Å; G51-P54 VanDerWaalsContact O-CD 3.27Å; G51-P54 WeakPolarHBondContact O-CD 3.33Å; G51-P54 WeakPolarHBondContact O-CG 2.97Å; G51-C55 WeakPolarHBondContact O-CB 3.24Å; G51-C55 PolarHBondContact O-N 2.92Å; G51-S183 VanDerWaalsContact CA-OG 3.27Å; G51-S183 WeakPolarHBondContact CA-OG 3.37Å
52C92.3Very high91.4Very high1 Ų132.2 Ų32.21%0.00719%0.193CC..Hα-helixtrans-59.2-38.9-179.8-74.50000112.8F48 C55 N56 Y69 F74 M78F48-C52 PolarHBondContact O-N 3.39Å; F48-C52 PolarHBondContact O-SG 3.26Å; C52-C55 PolarHBondContact O-N 3.48Å; C52-N56 WeakPolarHBondContact O-CB 3.42Å; C52-N56 PolarHBondContact O-N 2.96Å; C52-Y69 HydrophobicContact CB-CD1 3.4Å; C52-Y69 VanDerWaalsContact CB-CD1 3.4Å; C52-Y69 HydrophobicContact CB-CD2 3.76Å; C52-Y69 HydrophobicContact CB-CE1 3.28Å; C52-Y69 HydrophobicContact CB-CE2 3.59Å; C52-Y69 HydrophobicContact CB-CG 3.68Å; C52-F74 HydrophobicContact CB-CE1 4.1Å; C52-M78 HydrophobicContact CB-CE 4.48Å; C52-M78 WeakPolarHBondContact SG-CE 3.36Å
53A93.4Very high91.2Very high10 Ų1029.2 Ų29.28%0.08317%0.171CC..Hα-helixtrans-61-60.1-177.100000113.5L32 G51 C55 N56 V57 Y69L32-A53 HydrophobicContact CB-CB 4.3Å; L32-A53 HydrophobicContact CD1-CB 4.47Å; L32-A53 HydrophobicContact CD2-CB 4.03Å; G51-A53 VanDerWaalsContact C-N 3.31Å; G51-A53 PolarHBondContact O-N 2.67Å; A53-C55 PolarHBondContact O-N 3.2Å; A53-N56 PolarHBondContact O-N 3.35Å; A53-V57 WeakPolarHBondContact O-CG2 3.09Å; A53-V57 PolarHBondContact O-N 2.81Å; A53-Y69 WeakPolarHBondContact CA-OH 3.33Å; A53-Y69 WeakPolarHBondContact CB-OH 3.49Å; A53-Y69 PolarHBondContact N-OH 3.29Å
54P92.4Very high90.9Very high14 Ų1428 Ų289%0.09115%0.153CC..Hα-helixtrans-62.4-34.2176.625.3-33.4000112.2L50 G51 V57 I58 T182L50-P54 WeakPolarHBondContact O-CD 3.23Å; G51-P54 VanDerWaalsContact O-CD 3.27Å; G51-P54 WeakPolarHBondContact O-CD 3.33Å; G51-P54 WeakPolarHBondContact O-CG 2.97Å; P54-V57 PolarHBondContact O-N 2.86Å; P54-I58 WeakPolarHBondContact O-CG2 3.43Å; P54-I58 PolarHBondContact O-N 3.27Å; P54-T182 HydrophobicContact CB-CG2 3.78Å; P54-T182 HydrophobicContact CG-CG2 4.31Å
55C91.8Very high90.7Very high0 Ų028.5 Ų28.50%015%0.151CC..Hα-helixtrans-61.2-47.3176.6-164.90000111.9G51 C52 A53 I58 C59 F74 M78 F175 T179G51-C55 WeakPolarHBondContact O-CB 3.24Å; G51-C55 PolarHBondContact O-N 2.92Å; C52-C55 PolarHBondContact O-N 3.48Å; A53-C55 PolarHBondContact O-N 3.2Å; C55-I58 WeakPolarHBondContact O-CG2 3.49Å; C55-I58 PolarHBondContact O-N 3.15Å; C55-C59 WeakPolarHBondContact O-CB 3.46Å; C55-C59 PolarHBondContact O-N 3.15Å; C55-C59 PolarHBondContact O-SG 2.9Å; C55-F74 HydrophobicContact CB-CE1 4.48Å; C55-F74 HydrophobicContact CB-CE2 4.09Å; C55-F74 HydrophobicContact CB-CZ 3.55Å; C55-F74 WeakPolarHBondContact SG-CE2 3.2Å; C55-F74 WeakPolarHBondContact SG-CZ 3.47Å; C55-M78 HydrophobicContact CB-CG 4.41Å; C55-M78 HydrophobicContact CB-SD 3.8Å; C55-F175 WeakPolarHBondContact SG-CE2 3.46Å; C55-F175 WeakPolarHBondContact SG-CZ 3.35Å; C55-T179 WeakPolarHBondContact CA-OG1 3.31Å; C55-T179 HydrophobicContact CB-CG2 3.6Å
56N93.8Very high90.7Very high0 Ų026.7 Ų26.70%014%0.136CC..Hα-helixtrans-67.2-36.3175.9-87.1-21.5000112.8E28 C52 A53 I58 C59 S60 R66 F67 F74E28-N56 HydrophobicContact CG-CB 3.82Å; E28-N56 WeakPolarHBondContact OE2-CB 3.22Å; E28-N56 PolarHBondContact OE2-ND2 3.34Å; C52-N56 WeakPolarHBondContact O-CB 3.42Å; C52-N56 PolarHBondContact O-N 2.96Å; A53-N56 PolarHBondContact O-N 3.35Å; N56-I58 VanDerWaalsContact C-N 3.33Å; N56-I58 PolarHBondContact O-N 2.99Å; N56-C59 PolarHBondContact O-N 3.41Å; N56-S60 WeakPolarHBondContact O-CB 3.37Å; N56-S60 PolarHBondContact O-N 2.96Å; N56-R66 HydrophobicContact CB-CG 4.24Å; N56-F67 PolarHBondContact ND2-O 3.47Å; N56-F67 PolarHBondContact OD1-N 3.37Å; N56-F67 PolarHBondContact OD1-O 3.49Å; N56-F74 WeakPolarHBondContact OD1-CZ 3.42Å
57V93.1Very high90.6Very high22 Ų2225.6 Ų25.613%0.13313%0.127CC..Hα-helixtrans-57.5-49.2173.8172.20000109.8I21 V25 E28 A53 P54 S60 V61I21-V57 HydrophobicContact CD1-CG1 3.85Å; V25-V57 HydrophobicContact CG2-CG1 4.06Å; V25-V57 HydrophobicContact CG2-CG2 4.07Å; E28-V57 HydrophobicContact CB-CG2 3.93Å; E28-V57 HydrophobicContact CG-CG2 3.69Å; A53-V57 WeakPolarHBondContact O-CG2 3.09Å; A53-V57 PolarHBondContact O-N 2.81Å; P54-V57 PolarHBondContact O-N 2.86Å; V57-S60 PolarHBondContact O-N 3.45Å; V57-S60 PolarHBondContact O-OG 2.91Å; V57-V61 PolarHBondContact O-N 3.02Å
58I90.7Very high90.8Very high24 Ų2428.7 Ų28.712%0.12314%0.142CC..Hα-helixtrans-71.5-36.8179.7-167.563.1000112.4P54 C55 N56 S60 V61 I62 M174 F175P54-I58 WeakPolarHBondContact O-CG2 3.43Å; P54-I58 PolarHBondContact O-N 3.27Å; C55-I58 WeakPolarHBondContact O-CG2 3.49Å; C55-I58 PolarHBondContact O-N 3.15Å; N56-I58 VanDerWaalsContact C-N 3.33Å; N56-I58 PolarHBondContact O-N 2.99Å; I58-S60 VanDerWaalsContact C-N 3.29Å; I58-S60 PolarHBondContact O-N 3.42Å; I58-V61 PolarHBondContact O-N 3.43Å; I58-V61 VanDerWaalsContact O-N 3.1Å; I58-I62 HydrophobicContact CD1-CD1 4.07Å; I58-I62 HydrophobicContact CD1-CG1 4.2Å; I58-I62 HydrophobicContact CG1-CD1 3.63Å; I58-I62 HydrophobicContact CG1-CG1 4.12Å; I58-I62 WeakPolarHBondContact O-CG1 3.21Å; I58-I62 PolarHBondContact O-N 3.13Å; I58-M174 HydrophobicContact CD1-CE 4.36Å; I58-F175 HydrophobicContact CG2-CD2 3.58Å; I58-F175 HydrophobicContact CG2-CE2 3.81Å
59C91.1Very high91Very high0 Ų025 Ų250%013%0.126CC..Hα-helixtrans-56.6-43.3171.9-77.40000111.8C55 N56 V61 I62 F63 D65 F67 F175C55-C59 WeakPolarHBondContact O-CB 3.46Å; C55-C59 PolarHBondContact O-N 3.15Å; C55-C59 PolarHBondContact O-SG 2.9Å; N56-C59 PolarHBondContact O-N 3.41Å; C59-V61 PolarHBondContact O-N 2.97Å; C59-I62 PolarHBondContact O-N 3.07Å; C59-F63 HydrophobicContact CB-CD2 4.09Å; C59-F63 PolarHBondContact O-N 2.9Å; C59-D65 CarbonylContact C-O 3.3Å; C59-D65 VanDerWaalsContact C-O 3.3Å; C59-D65 WeakPolarHBondContact CB-O 3.4Å; C59-F67 HydrophobicContact CB-CD2 4.2Å; C59-F67 HydrophobicContact CB-CE2 3.96Å; C59-F67 WeakPolarHBondContact SG-CE2 3.45Å; C59-F175 WeakPolarHBondContact SG-CE2 3.32Å
60S91.7Very high90.9Very high10 Ų1030.4 Ų30.47%0.0715%0.148CC..Hα-helixtrans-64-28.3-179.180.60000112.1R24 N56 V57 I58 H64 D65R24-S60 WeakPolarHBondContact CD-OG 3.26Å; R24-S60 PolarHBondContact NH1-O 2.84Å; R24-S60 PolarHBondContact NH1-OG 3.35Å; N56-S60 WeakPolarHBondContact O-CB 3.37Å; N56-S60 PolarHBondContact O-N 2.96Å; V57-S60 PolarHBondContact O-N 3.45Å; V57-S60 PolarHBondContact O-OG 2.91Å; I58-S60 VanDerWaalsContact C-N 3.29Å; I58-S60 PolarHBondContact O-N 3.42Å; S60-H64 WeakPolarHBondContact O-CA 3.29Å; S60-D65 VanDerWaalsContact CA-O 3.3Å; S60-D65 WeakPolarHBondContact CA-O 3.31Å; S60-D65 PolarHBondContact N-O 2.73Å; S60-D65 VanDerWaalsContact N-O 3.15Å
61V91Very high90.9Very high5 Ų532.5 Ų32.53%0.0316%0.159CC..Hα-helixtrans-82.6-36.9177175.80000111.3L11 F14 I21 V57 I58 C59 D142 F143L11-V61 HydrophobicContact CD2-CG1 3.77Å; F14-V61 HydrophobicContact CB-CG1 4.28Å; F14-V61 HydrophobicContact CD2-CG1 4.43Å; F14-V61 HydrophobicContact CG-CG1 4.42Å; I21-V61 HydrophobicContact CD1-CG2 3.94Å; V57-V61 PolarHBondContact O-N 3.02Å; I58-V61 PolarHBondContact O-N 3.43Å; I58-V61 VanDerWaalsContact O-N 3.1Å; C59-V61 PolarHBondContact O-N 2.97Å; V61-D142 WeakPolarHBondContact O-CB 3.49Å; V61-F143 WeakPolarHBondContact O-CB 3.2Å; V61-F143 PolarHBondContact O-N 2.81Å
62I91.1Very high90.9Very high0 Ų039 Ų390%019%0.189CC..Hα-helixtrans-84.2-44.5-175.2-65.1179.1000112.8I58 C59 D142 I144 V171 M174 F175I58-I62 HydrophobicContact CD1-CD1 4.07Å; I58-I62 HydrophobicContact CD1-CG1 4.2Å; I58-I62 HydrophobicContact CG1-CD1 3.63Å; I58-I62 HydrophobicContact CG1-CG1 4.12Å; I58-I62 WeakPolarHBondContact O-CG1 3.21Å; I58-I62 PolarHBondContact O-N 3.13Å; C59-I62 PolarHBondContact O-N 3.07Å; I62-D142 WeakPolarHBondContact O-CB 3.39Å; I62-I144 HydrophobicContact CG2-CD1 4.15Å; I62-I144 HydrophobicContact CG2-CG1 4.16Å; I62-I144 WeakPolarHBondContact O-CG1 3.5Å; I62-I144 PolarHBondContact O-N 3.23Å; I62-V171 HydrophobicContact CG2-CB 4.43Å; I62-V171 HydrophobicContact CG2-CG1 3.72Å; I62-V171 HydrophobicContact CG2-CG2 4.02Å; I62-M174 HydrophobicContact CD1-CB 3.77Å; I62-M174 HydrophobicContact CD1-CE 4.37Å; I62-M174 HydrophobicContact CG1-CE 4.15Å; I62-F175 HydrophobicContact CD1-CB 4.03Å; I62-F175 HydrophobicContact CD1-CD2 4.43Å
63F89.9Confident90.7Very high9 Ų945.8 Ų45.84%0.03921%0.214CC..SBendtrans-117.70.5-168.1-52.3-62.4000113.9C59 D65 Y123 R127 I144 V171 F175C59-F63 HydrophobicContact CB-CD2 4.09Å; C59-F63 PolarHBondContact O-N 2.9Å; F63-D65 HydrophobicContact CB-CB 4.13Å; F63-D65 PolarHBondContact O-N 3.38Å; F63-D65 VanDerWaalsContact O-N 3.07Å; F63-Y123 HydrophobicContact CE2-CE1 4.45Å; F63-Y123 HydrophobicContact CZ-CE1 4.32Å; F63-R127 HydrophobicContact CD1-CB 3.84Å; F63-R127 HydrophobicContact CD1-CG 3.95Å; F63-R127 HydrophobicContact CE1-CB 3.8Å; F63-R127 HydrophobicContact CE1-CG 3.89Å; F63-I144 HydrophobicContact CD1-CD1 3.46Å; F63-I144 VanDerWaalsContact CD1-CD1 3.46Å; F63-I144 HydrophobicContact CE1-CD1 3.58Å; F63-V171 HydrophobicContact CE1-CG1 3.96Å; F63-V171 HydrophobicContact CZ-CG1 3.85Å; F63-F175 HydrophobicContact CE2-CD2 4.42Å
64H88.4Confident90.3Very high114 Ų11445.3 Ų45.353%0.52821%0.211SC..SBendtrans53.724.5-168-157.181.2000114S60 R141 D142S60-H64 WeakPolarHBondContact O-CA 3.29Å; H64-R141 HydrophobicContact CB-CB 4.22Å; H64-R141 PolarHBondContact ND1-O 3.11Å; H64-R141 VanDerWaalsContact ND1-O 3.07Å; H64-D142 HydrophobicContact CB-CB 4Å; H64-D142 WeakPolarHBondContact CB-OD2 3.37Å; H64-D142 PolarHBondContact N-OD2 2.79Å
65D86.8Confident90.1Very high76 Ų7646.4 Ų46.441%0.40622%0.215SC..  trans-127.7157.5-171.5-161.110.6000112C59 S60 F63 F67C59-D65 CarbonylContact C-O 3.3Å; C59-D65 VanDerWaalsContact C-O 3.3Å; C59-D65 WeakPolarHBondContact CB-O 3.4Å; S60-D65 VanDerWaalsContact CA-O 3.3Å; S60-D65 WeakPolarHBondContact CA-O 3.31Å; S60-D65 PolarHBondContact N-O 2.73Å; S60-D65 VanDerWaalsContact N-O 3.15Å; F63-D65 HydrophobicContact CB-CB 4.13Å; F63-D65 PolarHBondContact O-N 3.38Å; F63-D65 VanDerWaalsContact O-N 3.07Å; D65-F67 HydrophobicContact CB-CZ 4.49Å
66R90.2Very high90Very high78 Ų7849 Ų4929%0.29423%0.229SC..  trans-134.5128.4177.9-178.7-166.9-178.6-78.2-19.8109.2E28 C31 N56E28-R66 WeakPolarHBondContact OE1-CD 3.41Å; E28-R66 WeakPolarHBondContact OE1-CG 3.38Å; E28-R66 IonicContact OE1-CZ 3.94Å; E28-R66 IonicContact OE1-NE 3.34Å; E28-R66 PolarHBondContact OE1-NE 3.49Å; E28-R66 IonicContact OE1-NH2 2.84Å; E28-R66 IonicContact OE2-CZ 3.41Å; E28-R66 IonicContact OE2-NE 3.69Å; E28-R66 PolarHBondContact OE2-NE 2.98Å; E28-R66 IonicContact OE2-NH2 3.69Å; E28-R66 PolarHBondContact OE2-NH2 3.36Å; C31-R66 VanDerWaalsContact SG-CZ 3.59Å; C31-R66 PolarHBondContact SG-NH2 2.95Å; N56-R66 HydrophobicContact CB-CG 4.24Å
67F89.1Confident89.7Confident19 Ų1949.1 Ų49.18%0.08323%0.23CC..  trans-93145.4-179.7-60-81.4000112.1N56 C59 D65 F74 Y123N56-F67 PolarHBondContact ND2-O 3.47Å; N56-F67 PolarHBondContact OD1-N 3.37Å; N56-F67 PolarHBondContact OD1-O 3.49Å; C59-F67 HydrophobicContact CB-CD2 4.2Å; C59-F67 HydrophobicContact CB-CE2 3.96Å; C59-F67 WeakPolarHBondContact SG-CE2 3.45Å; D65-F67 HydrophobicContact CB-CZ 4.49Å; F67-F74 HydrophobicContact CB-CB 3.78Å; F67-F74 HydrophobicContact CB-CD1 3.75Å; F67-F74 HydrophobicContact CB-CD2 3.58Å; F67-F74 HydrophobicContact CB-CE1 4.11Å; F67-F74 HydrophobicContact CB-CE2 3.95Å; F67-F74 HydrophobicContact CB-CG 3.43Å; F67-F74 VanDerWaalsContact CB-CG 3.43Å; F67-F74 HydrophobicContact CB-CZ 4.17Å; F67-F74 HydrophobicContact CD1-CB 4.19Å; F67-F74 HydrophobicContact CD1-CD2 4.3Å; F67-F74 HydrophobicContact CD1-CG 4.46Å; F67-F74 AromaticContact CD2-CD2 3.35Å; F67-F74 HydrophobicContact CD2-CD2 3.35Å; F67-F74 AromaticContact CD2-CE2 3.47Å; F67-F74 HydrophobicContact CD2-CE2 3.47Å; F67-F74 VanDerWaalsContact CD2-CE2 3.47Å; F67-F74 HydrophobicContact CD2-CG 4.13Å; F67-F74 HydrophobicContact CD2-CZ 4.34Å; F67-F74 HydrophobicContact CE2-CD2 4.18Å; F67-F74 HydrophobicContact CE2-CE2 4.36Å; F67-F74 HydrophobicContact CG-CB 3.94Å; F67-F74 HydrophobicContact CG-CD1 4.5Å; F67-F74 AromaticContact CG-CD2 3.44Å; F67-F74 HydrophobicContact CG-CD2 3.44Å; F67-F74 VanDerWaalsContact CG-CD2 3.44Å; F67-F74 AromaticContact CG-CE2 3.93Å; F67-F74 HydrophobicContact CG-CE2 3.93Å; F67-F74 AromaticContact CG-CG 3.74Å; F67-F74 HydrophobicContact CG-CG 3.74Å; F67-Y123 WeakPolarHBondContact CE1-OH 3.11Å; F67-Y123 WeakPolarHBondContact CZ-OH 3.46Å
68D91.1Very high89.4Confident87 Ų8748.2 Ų48.247%0.46522%0.224SC..  trans-65.8144.1166.4-171.3-83.8000109.8K70 D71D68-K70 PolarHBondContact O-N 2.84Å; D68-K70 VanDerWaalsContact OD1-CB 3.3Å; D68-K70 WeakPolarHBondContact OD1-CB 3.26Å; D68-K70 PolarHBondContact OD1-N 3.12Å; D68-D71 HydrophobicContact CB-CB 4.48Å; D68-D71 WeakPolarHBondContact O-CB 3.48Å; D68-D71 PolarHBondContact O-N 3.41Å
69Y89.9Confident89.3Confident15 Ų1551.6 Ų51.66%0.05924%0.24CC..THydrogen-bonded Turntrans-67-11.8-177.2-82.1-136.5000112.6L32 E35 I49 C52 A53L32-Y69 HydrophobicContact CD1-CE1 4.3Å; E35-Y69 HydrophobicContact CB-CD1 3.98Å; E35-Y69 HydrophobicContact CB-CE1 4.15Å; E35-Y69 HydrophobicContact CG-CD1 3.51Å; E35-Y69 HydrophobicContact CG-CD2 4.43Å; E35-Y69 HydrophobicContact CG-CE1 3.9Å; E35-Y69 HydrophobicContact CG-CG 3.79Å; I49-Y69 HydrophobicContact CG2-CE1 4.44Å; I49-Y69 WeakPolarHBondContact O-CE1 3.39Å; C52-Y69 HydrophobicContact CB-CD1 3.4Å; C52-Y69 VanDerWaalsContact CB-CD1 3.4Å; C52-Y69 HydrophobicContact CB-CD2 3.76Å; C52-Y69 HydrophobicContact CB-CE1 3.28Å; C52-Y69 HydrophobicContact CB-CE2 3.59Å; C52-Y69 HydrophobicContact CB-CG 3.68Å; A53-Y69 WeakPolarHBondContact CA-OH 3.33Å; A53-Y69 WeakPolarHBondContact CB-OH 3.49Å; A53-Y69 PolarHBondContact N-OH 3.29Å
70K89.2Confident89.2Confident143 Ų14352.8 Ų52.862%0.62225%0.245SC*.THydrogen-bonded Turntrans-104.2-1.6175.9-57.2179.1-178.9177.90113.3D68 Q72D68-K70 PolarHBondContact O-N 2.84Å; D68-K70 VanDerWaalsContact OD1-CB 3.3Å; D68-K70 WeakPolarHBondContact OD1-CB 3.26Å; D68-K70 PolarHBondContact OD1-N 3.12Å; K70-Q72 PolarHBondContact O-N 3.46Å; K70-Q72 VanDerWaalsContact O-N 3.14Å; K70-Q72 PolarHBondContact O-NE2 2.95Å; K70-Q72 VanDerWaalsContact O-NE2 3.1Å
71D91.3Very high88.9Confident52 Ų5253.1 Ų53.128%0.27825%0.245SC..  trans-60.4118177.3-176.7-62.8000109.7D68 R73 F74 L75D68-D71 HydrophobicContact CB-CB 4.48Å; D68-D71 WeakPolarHBondContact O-CB 3.48Å; D68-D71 PolarHBondContact O-N 3.41Å; D71-R73 VanDerWaalsContact C-N 3.34Å; D71-R73 PolarHBondContact O-N 2.94Å; D71-R73 WeakPolarHBondContact OD1-CA 3.48Å; D71-R73 WeakPolarHBondContact OD1-CB 3.46Å; D71-R73 PolarHBondContact OD1-N 3.28Å; D71-F74 HydrophobicContact CB-CB 3.9Å; D71-F74 PolarHBondContact O-N 3.26Å; D71-F74 PolarHBondContact OD1-N 3.07Å; D71-L75 WeakPolarHBondContact O-CB 3.26Å; D71-L75 VanDerWaalsContact O-CG 3.31Å; D71-L75 WeakPolarHBondContact O-CG 3.36Å; D71-L75 PolarHBondContact O-N 2.98Å
72Q90.1Very high88.6Confident141 Ų14155.3 Ų55.366%0.65926%0.257SS*.Hα-helixtrans-69.4-30.6-174.2-66-59.5-56.500112.9K70 N76K70-Q72 PolarHBondContact O-N 3.46Å; K70-Q72 VanDerWaalsContact O-N 3.14Å; K70-Q72 PolarHBondContact O-NE2 2.95Å; K70-Q72 VanDerWaalsContact O-NE2 3.1Å; Q72-N76 WeakPolarHBondContact O-CB 3.37Å; Q72-N76 PolarHBondContact O-N 3.1Å
73R87.6Confident88.5Confident143 Ų14357.2 Ų57.254%0.5427%0.265SS..Hα-helixtrans-69.6-41.9176.3-71.2-167.2-93.3-176-6.2110D71 L77 E126D71-R73 VanDerWaalsContact C-N 3.34Å; D71-R73 PolarHBondContact O-N 2.94Å; D71-R73 WeakPolarHBondContact OD1-CA 3.48Å; D71-R73 WeakPolarHBondContact OD1-CB 3.46Å; D71-R73 PolarHBondContact OD1-N 3.28Å; R73-L77 WeakPolarHBondContact O-CB 3.3Å; R73-L77 PolarHBondContact O-N 3.34Å; R73-E126 IonicContact NH1-OE1 2.78Å
74F86.2Confident88.4Confident0 Ų057.2 Ų57.20%027%0.266CS..Hα-helixtrans-65-48.2176.7-176-116000112.7C52 C55 N56 F67 D71 N76 L77 M78C52-F74 HydrophobicContact CB-CE1 4.1Å; C55-F74 HydrophobicContact CB-CE1 4.48Å; C55-F74 HydrophobicContact CB-CE2 4.09Å; C55-F74 HydrophobicContact CB-CZ 3.55Å; C55-F74 WeakPolarHBondContact SG-CE2 3.2Å; C55-F74 WeakPolarHBondContact SG-CZ 3.47Å; N56-F74 WeakPolarHBondContact OD1-CZ 3.42Å; F67-F74 HydrophobicContact CB-CB 3.78Å; F67-F74 HydrophobicContact CB-CD1 3.75Å; F67-F74 HydrophobicContact CB-CD2 3.58Å; F67-F74 HydrophobicContact CB-CE1 4.11Å; F67-F74 HydrophobicContact CB-CE2 3.95Å; F67-F74 HydrophobicContact CB-CG 3.43Å; F67-F74 VanDerWaalsContact CB-CG 3.43Å; F67-F74 HydrophobicContact CB-CZ 4.17Å; F67-F74 HydrophobicContact CD1-CB 4.19Å; F67-F74 HydrophobicContact CD1-CD2 4.3Å; F67-F74 HydrophobicContact CD1-CG 4.46Å; F67-F74 AromaticContact CD2-CD2 3.35Å; F67-F74 HydrophobicContact CD2-CD2 3.35Å; F67-F74 AromaticContact CD2-CE2 3.47Å; F67-F74 HydrophobicContact CD2-CE2 3.47Å; F67-F74 VanDerWaalsContact CD2-CE2 3.47Å; F67-F74 HydrophobicContact CD2-CG 4.13Å; F67-F74 HydrophobicContact CD2-CZ 4.34Å; F67-F74 HydrophobicContact CE2-CD2 4.18Å; F67-F74 HydrophobicContact CE2-CE2 4.36Å; F67-F74 HydrophobicContact CG-CB 3.94Å; F67-F74 HydrophobicContact CG-CD1 4.5Å; F67-F74 AromaticContact CG-CD2 3.44Å; F67-F74 HydrophobicContact CG-CD2 3.44Å; F67-F74 VanDerWaalsContact CG-CD2 3.44Å; F67-F74 AromaticContact CG-CE2 3.93Å; F67-F74 HydrophobicContact CG-CE2 3.93Å; F67-F74 AromaticContact CG-CG 3.74Å; F67-F74 HydrophobicContact CG-CG 3.74Å; D71-F74 HydrophobicContact CB-CB 3.9Å; D71-F74 PolarHBondContact O-N 3.26Å; D71-F74 PolarHBondContact OD1-N 3.07Å; F74-N76 VanDerWaalsContact C-N 3.32Å; F74-N76 PolarHBondContact O-N 2.84Å; F74-L77 WeakPolarHBondContact O-CB 3.33Å; F74-L77 PolarHBondContact O-N 2.75Å; F74-M78 HydrophobicContact CD1-CE 4.01Å; F74-M78 HydrophobicContact CD1-SD 4.47Å; F74-M78 HydrophobicContact CE1-CE 3.85Å; F74-M78 HydrophobicContact CE1-SD 3.89Å; F74-M78 HydrophobicContact CZ-SD 4.08Å; F74-M78 PolarHBondContact O-N 2.72Å
75L87.5Confident88Confident36 Ų3655.2 Ų55.219%0.18826%0.258CS..Hα-helixtrans-60-42.9176.7-71.7173.4000111.8F48 D71 L77 M78 E79F48-L75 HydrophobicContact CB-CD2 4.3Å; F48-L75 HydrophobicContact CD1-CD2 4.18Å; F48-L75 HydrophobicContact CG-CD2 4.43Å; D71-L75 WeakPolarHBondContact O-CB 3.26Å; D71-L75 VanDerWaalsContact O-CG 3.31Å; D71-L75 WeakPolarHBondContact O-CG 3.36Å; D71-L75 PolarHBondContact O-N 2.98Å; L75-L77 VanDerWaalsContact C-N 3.33Å; L75-L77 PolarHBondContact O-N 3.32Å; L75-M78 HydrophobicContact CD2-CE 3.67Å; L75-M78 PolarHBondContact O-N 2.85Å; L75-E79 WeakPolarHBondContact O-CB 3.43Å; L75-E79 PolarHBondContact O-N 2.85Å
76N90Very high88Confident56 Ų5659.2 Ų59.230%0.29927%0.268SS..Hα-helixtrans-64.1-40.2177.1-165.611.8000111.2Q72 F74 E79 K80 Y119Q72-N76 WeakPolarHBondContact O-CB 3.37Å; Q72-N76 PolarHBondContact O-N 3.1Å; F74-N76 VanDerWaalsContact C-N 3.32Å; F74-N76 PolarHBondContact O-N 2.84Å; N76-E79 WeakPolarHBondContact O-CB 3.4Å; N76-E79 PolarHBondContact O-N 3.13Å; N76-K80 VanDerWaalsContact O-CG 3.27Å; N76-K80 WeakPolarHBondContact O-CG 3.43Å; N76-K80 PolarHBondContact O-N 3.45Å; N76-K80 VanDerWaalsContact O-N 3.12Å; N76-K80 WeakPolarHBondContact OD1-CE 3.2Å; N76-K80 PolarHBondContact OD1-NZ 2.86Å; N76-Y119 PolarHBondContact ND2-OH 2.76Å
77L87.9Confident87.8Confident1 Ų156.2 Ų56.21%0.00526%0.257CS..Hα-helixtrans-61.6-46.4176.4-175.761.6000112.2R73 F74 L75 K80 F81 Y119 I120 Y123 F175R73-L77 WeakPolarHBondContact O-CB 3.3Å; R73-L77 PolarHBondContact O-N 3.34Å; F74-L77 WeakPolarHBondContact O-CB 3.33Å; F74-L77 PolarHBondContact O-N 2.75Å; L75-L77 VanDerWaalsContact C-N 3.33Å; L75-L77 PolarHBondContact O-N 3.32Å; L77-K80 PolarHBondContact O-N 3.49Å; L77-F81 HydrophobicContact CD1-CE2 3.93Å; L77-F81 HydrophobicContact CG-CD2 4.43Å; L77-F81 HydrophobicContact CG-CE2 4.03Å; L77-F81 VanDerWaalsContact O-CD2 3.25Å; L77-F81 WeakPolarHBondContact O-CD2 2.98Å; L77-F81 PolarHBondContact O-N 3.04Å; L77-Y119 HydrophobicContact CB-CE1 4.45Å; L77-Y119 HydrophobicContact CD1-CD1 4.38Å; L77-Y119 HydrophobicContact CD1-CE1 4.23Å; L77-I120 HydrophobicContact CD1-CB 4.33Å; L77-I120 HydrophobicContact CD1-CG1 3.72Å; L77-I120 HydrophobicContact CD1-CG2 4.4Å; L77-Y123 HydrophobicContact CD2-CD1 3.7Å; L77-Y123 HydrophobicContact CD2-CD2 4.4Å; L77-Y123 HydrophobicContact CD2-CE1 3.59Å; L77-Y123 HydrophobicContact CD2-CE2 4.28Å; L77-Y123 HydrophobicContact CD2-CG 4.12Å; L77-F175 HydrophobicContact CD1-CE1 4.46Å; L77-F175 HydrophobicContact CD2-CD1 4.25Å; L77-F175 HydrophobicContact CD2-CE1 3.3Å; L77-F175 HydrophobicContact CD2-CZ 3.86Å; L77-F175 HydrophobicContact CG-CE1 3.7Å; L77-F175 HydrophobicContact CG-CZ 4.49Å
78M85.9Confident87.6Confident4 Ų457.5 Ų57.52%0.0227%0.265CS..Hα-helixtrans-62.2-41.8174.6-68.8-163.7-61.300112.3F48 C52 C55 F74 L75 K80 F81 N82F48-M78 HydrophobicContact CD1-CE 4.14Å; C52-M78 HydrophobicContact CB-CE 4.48Å; C52-M78 WeakPolarHBondContact SG-CE 3.36Å; C55-M78 HydrophobicContact CB-CG 4.41Å; C55-M78 HydrophobicContact CB-SD 3.8Å; F74-M78 HydrophobicContact CD1-CE 4.01Å; F74-M78 HydrophobicContact CD1-SD 4.47Å; F74-M78 HydrophobicContact CE1-CE 3.85Å; F74-M78 HydrophobicContact CE1-SD 3.89Å; F74-M78 HydrophobicContact CZ-SD 4.08Å; F74-M78 PolarHBondContact O-N 2.72Å; L75-M78 HydrophobicContact CD2-CE 3.67Å; L75-M78 PolarHBondContact O-N 2.85Å; M78-K80 PolarHBondContact O-N 3.48Å; M78-F81 PolarHBondContact O-N 3.44Å; M78-F81 VanDerWaalsContact O-N 3.11Å; M78-N82 PolarHBondContact O-N 3.43Å
79E89Confident87.2Confident95 Ų9557.5 Ų57.544%0.44427%0.272SS..Hα-helixtrans-57.3-39.6176.9-173-169.6-14800111.6F48 L75 N76 N82 E83F48-E79 HydrophobicContact CE1-CB 4.43Å; L75-E79 WeakPolarHBondContact O-CB 3.43Å; L75-E79 PolarHBondContact O-N 2.85Å; N76-E79 WeakPolarHBondContact O-CB 3.4Å; N76-E79 PolarHBondContact O-N 3.13Å; E79-N82 PolarHBondContact O-N 2.98Å; E79-E83 VanDerWaalsContact O-CB 3.26Å; E79-E83 WeakPolarHBondContact O-CB 3.38Å; E79-E83 PolarHBondContact O-N 3.48Å
80K89.8Confident87.1Confident24 Ų2458 Ų5810%0.10428%0.278CS..Hα-helixtrans-67.1-37.1177.6-59.8-67.4156.3-71.20112.1N76 L77 M78 N84 N116 Y119 I120N76-K80 VanDerWaalsContact O-CG 3.27Å; N76-K80 WeakPolarHBondContact O-CG 3.43Å; N76-K80 PolarHBondContact O-N 3.45Å; N76-K80 VanDerWaalsContact O-N 3.12Å; N76-K80 WeakPolarHBondContact OD1-CE 3.2Å; N76-K80 PolarHBondContact OD1-NZ 2.86Å; L77-K80 PolarHBondContact O-N 3.49Å; M78-K80 PolarHBondContact O-N 3.48Å; K80-N84 WeakPolarHBondContact O-CB 3.39Å; K80-N84 PolarHBondContact O-N 3.31Å; K80-N84 PolarHBondContact O-OD1 2.91Å; K80-N116 HydrophobicContact CB-CB 4.17Å; K80-N116 HydrophobicContact CD-CB 4.15Å; K80-N116 VanDerWaalsContact CD-CG 3.45Å; K80-N116 WeakPolarHBondContact CD-OD1 3.47Å; K80-Y119 HydrophobicContact CG-CD1 4.15Å; K80-I120 HydrophobicContact CB-CD1 4.36Å
81F84.9Confident87.1Confident17 Ų1756.4 Ų56.48%0.07528%0.282CS..Hα-helixtrans-65.3-46.5172.9-78.6-68.3000111.9L77 M78 E83 N84 L85 I120 F175 G176 E180L77-F81 HydrophobicContact CD1-CE2 3.93Å; L77-F81 HydrophobicContact CG-CD2 4.43Å; L77-F81 HydrophobicContact CG-CE2 4.03Å; L77-F81 VanDerWaalsContact O-CD2 3.25Å; L77-F81 WeakPolarHBondContact O-CD2 2.98Å; L77-F81 PolarHBondContact O-N 3.04Å; M78-F81 PolarHBondContact O-N 3.44Å; M78-F81 VanDerWaalsContact O-N 3.11Å; F81-E83 PolarHBondContact O-N 2.8Å; F81-N84 PolarHBondContact O-N 3.44Å; F81-L85 PolarHBondContact O-N 3.45Å; F81-I120 HydrophobicContact CD1-CD1 4.25Å; F81-I120 HydrophobicContact CE1-CD1 3.89Å; F81-I120 HydrophobicContact CE2-CD1 4.15Å; F81-I120 HydrophobicContact CE2-CG1 4.24Å; F81-I120 HydrophobicContact CE2-CG2 4.43Å; F81-I120 HydrophobicContact CZ-CD1 3.83Å; F81-I120 HydrophobicContact CZ-CG1 4.16Å; F81-I120 HydrophobicContact CZ-CG2 3.85Å; F81-F175 HydrophobicContact CD2-CD1 4.26Å; F81-F175 HydrophobicContact CD2-CE1 4.15Å; F81-F175 AromaticContact CE2-CD1 3.26Å; F81-F175 HydrophobicContact CE2-CD1 3.26Å; F81-F175 AromaticContact CE2-CE1 3.43Å; F81-F175 HydrophobicContact CE2-CE1 3.43Å; F81-F175 VanDerWaalsContact CE2-CE1 3.43Å; F81-F175 HydrophobicContact CE2-CG 4.39Å; F81-F175 AromaticContact CZ-CD1 3.54Å; F81-F175 HydrophobicContact CZ-CD1 3.54Å; F81-F175 HydrophobicContact CZ-CE1 4.19Å; F81-F175 HydrophobicContact CZ-CG 4.43Å; F81-G176 VanDerWaalsContact CD1-CA 3.48Å; F81-E180 HydrophobicContact CB-CG 3.69Å
82N84.6Confident86.9Confident52 Ų5257.7 Ų57.728%0.27828%0.283SS..Hα-helixtrans-61.6-44.4177.9-166.9-94.2000112.1M78 E79 L85 R86 E180M78-N82 PolarHBondContact O-N 3.43Å; E79-N82 PolarHBondContact O-N 2.98Å; N82-L85 PolarHBondContact O-N 3.36Å; N82-R86 PolarHBondContact O-N 3.21Å; N82-E180 WeakPolarHBondContact CA-OE2 3.44Å; N82-E180 PolarHBondContact N-OE1 2.87Å; N82-E180 PolarHBondContact ND2-OE2 3.47Å
83E88.6Confident86.8Confident39 Ų3951 Ų5118%0.18225%0.252CS..Hα-helixtrans-62-44.1176.1-176.8175.2-13900111.3E79 F81 L85 R86 I87 K112 N116E79-E83 VanDerWaalsContact O-CB 3.26Å; E79-E83 WeakPolarHBondContact O-CB 3.38Å; E79-E83 PolarHBondContact O-N 3.48Å; F81-E83 PolarHBondContact O-N 2.8Å; E83-L85 VanDerWaalsContact C-N 3.34Å; E83-L85 PolarHBondContact O-N 3.44Å; E83-R86 PolarHBondContact O-N 3.1Å; E83-I87 HydrophobicContact CG-CD1 3.66Å; E83-I87 HydrophobicContact CG-CG1 4.29Å; E83-I87 WeakPolarHBondContact O-CB 3.47Å; E83-I87 WeakPolarHBondContact O-CG1 3.43Å; E83-I87 PolarHBondContact O-N 2.91Å; E83-K112 WeakPolarHBondContact OE2-CE 3.47Å; E83-N116 PolarHBondContact OE2-ND2 2.94Å; E83-N116 PolarHBondContact OE2-OD1 3.48Å
84N87.5Confident86.7Confident9 Ų948.7 Ų48.75%0.04825%0.247CC..Hα-helixtrans-59-45.8176-77.7-6.6000111.4K80 F81 R86 I87 L88 N116K80-N84 WeakPolarHBondContact O-CB 3.39Å; K80-N84 PolarHBondContact O-N 3.31Å; K80-N84 PolarHBondContact O-OD1 2.91Å; F81-N84 PolarHBondContact O-N 3.44Å; N84-R86 PolarHBondContact O-N 3.46Å; N84-I87 PolarHBondContact O-N 3.23Å; N84-L88 VanDerWaalsContact O-CB 3.31Å; N84-L88 WeakPolarHBondContact O-CB 3.47Å; N84-L88 WeakPolarHBondContact O-CG 3.38Å; N84-L88 PolarHBondContact O-N 2.94Å; N84-N116 WeakPolarHBondContact OD1-CB 3.39Å; N84-N116 PolarHBondContact OD1-ND2 2.73Å
85L81.6Confident86.8Confident72 Ų7251.6 Ų51.638%0.37726%0.264SS..Hα-helixtrans-65.3-42-178.5-146.3148.2000111.4F81 N82 E83 I87 L88 S89 E180F81-L85 PolarHBondContact O-N 3.45Å; N82-L85 PolarHBondContact O-N 3.36Å; E83-L85 VanDerWaalsContact C-N 3.34Å; E83-L85 PolarHBondContact O-N 3.44Å; L85-I87 PolarHBondContact O-N 3.17Å; L85-L88 PolarHBondContact O-N 3.43Å; L85-S89 PolarHBondContact O-N 2.9Å; L85-S89 PolarHBondContact O-OG 2.99Å; L85-E180 HydrophobicContact CD1-CB 3.43Å; L85-E180 VanDerWaalsContact CD1-CB 3.43Å; L85-E180 HydrophobicContact CD1-CG 3.96Å
86R85.6Confident86.7Confident161 Ų16149.9 Ų49.961%0.60826%0.256SS*.Hα-helixtrans-59.6-46.5172.7-174.6-17967.6-179.1-2.1111.5N82 E83 N84 S89 S90N82-R86 PolarHBondContact O-N 3.21Å; E83-R86 PolarHBondContact O-N 3.1Å; N84-R86 PolarHBondContact O-N 3.46Å; R86-S89 PolarHBondContact O-N 3.33Å; R86-S89 PolarHBondContact O-OG 3.24Å; R86-S90 PolarHBondContact O-N 3.09Å
87I87.3Confident86.4Confident14 Ų1451 Ų517%0.07226%0.261CS..Hα-helixtrans-66.3-43.8180-65.7168000110.7E83 N84 L85 S89 S90 I93 S109 K112 I113E83-I87 HydrophobicContact CG-CD1 3.66Å; E83-I87 HydrophobicContact CG-CG1 4.29Å; E83-I87 WeakPolarHBondContact O-CB 3.47Å; E83-I87 WeakPolarHBondContact O-CG1 3.43Å; E83-I87 PolarHBondContact O-N 2.91Å; N84-I87 PolarHBondContact O-N 3.23Å; L85-I87 PolarHBondContact O-N 3.17Å; I87-S89 PolarHBondContact O-N 3.49Å; I87-S90 WeakPolarHBondContact O-CB 3.29Å; I87-S90 PolarHBondContact O-N 3.43Å; I87-S90 PolarHBondContact O-OG 3.37Å; I87-I93 HydrophobicContact CG2-CD1 3.99Å; I87-I93 HydrophobicContact CG2-CG1 3.65Å; I87-I93 WeakPolarHBondContact O-CG1 3.03Å; I87-S109 WeakPolarHBondContact CG2-OG 3.27Å; I87-K112 HydrophobicContact CD1-CB 3.87Å; I87-K112 HydrophobicContact CD1-CG 3.78Å; I87-I113 HydrophobicContact CB-CD1 4.11Å; I87-I113 HydrophobicContact CB-CG1 4.15Å; I87-I113 HydrophobicContact CD1-CG1 4.39Å; I87-I113 HydrophobicContact CG2-CD1 3.49Å; I87-I113 VanDerWaalsContact CG2-CD1 3.49Å; I87-I113 HydrophobicContact CG2-CG1 3.79Å
88L84.2Confident86.2Confident46 Ų4656.4 Ų56.424%0.24129%0.291CS..Hα-helixtrans-59.3-33.8177.6-73.3169.9000112.2N84 L85 S90 I93 Q94 I113 F323N84-L88 VanDerWaalsContact O-CB 3.31Å; N84-L88 WeakPolarHBondContact O-CB 3.47Å; N84-L88 WeakPolarHBondContact O-CG 3.38Å; N84-L88 PolarHBondContact O-N 2.94Å; L85-L88 PolarHBondContact O-N 3.43Å; L88-S90 VanDerWaalsContact C-N 3.27Å; L88-S90 PolarHBondContact O-N 3.37Å; L88-I93 HydrophobicContact CD2-CG2 4.23Å; L88-Q94 PolarHBondContact O-NE2 2.77Å; L88-I113 HydrophobicContact CD2-CD1 3.88Å; L88-I113 HydrophobicContact CG-CD1 4.14Å; L88-F323 HydrophobicContact CD1-CZ 4.43Å; L88-F323 HydrophobicContact CD2-CZ 4.43Å
89S82.1Confident86.2Confident87 Ų8762.5 Ų62.561%0.60832%0.317SS*.THydrogen-bonded Turntrans-78.1-5.1174.473.40000114.6L85 R86 I87L85-S89 PolarHBondContact O-N 2.9Å; L85-S89 PolarHBondContact O-OG 2.99Å; R86-S89 PolarHBondContact O-N 3.33Å; R86-S89 PolarHBondContact O-OG 3.24Å; I87-S89 PolarHBondContact O-N 3.49Å
90S87.6Confident86Confident27 Ų2761.2 Ų61.219%0.18932%0.317CS..SBendtrans-76.1148.4-176.274.90000113R86 I87 L88 W92 I93 Q94R86-S90 PolarHBondContact O-N 3.09Å; I87-S90 WeakPolarHBondContact O-CB 3.29Å; I87-S90 PolarHBondContact O-N 3.43Å; I87-S90 PolarHBondContact O-OG 3.37Å; L88-S90 VanDerWaalsContact C-N 3.27Å; L88-S90 PolarHBondContact O-N 3.37Å; S90-W92 PolarHBondContact O-N 2.89Å; S90-I93 PolarHBondContact O-N 2.71Å; S90-I93 VanDerWaalsContact O-N 3.13Å; S90-I93 PolarHBondContact OG-N 3.09Å; S90-Q94 PolarHBondContact O-N 2.72Å
91P89.3Confident85.9Confident109 Ų10962.9 Ų62.971%0.70834%0.336SS*.Hα-helixtrans-55.4-34.9176-27.134.9000113.6Q94 V95P91-Q94 WeakPolarHBondContact O-CB 3.45Å; P91-Q94 PolarHBondContact O-N 2.84Å; P91-V95 WeakPolarHBondContact O-CG2 3.11Å; P91-V95 PolarHBondContact O-N 2.73Å; P91-V95 VanDerWaalsContact O-N 3.08Å
92W88Confident86Confident78 Ų7864.7 Ų64.730%0.29535%0.346SS..Hα-helixtrans-62.3-44.4178.3177.6-114.2000112.4S90 Q94 V95 C96 L106 S109 H110S90-W92 PolarHBondContact O-N 2.89Å; W92-Q94 VanDerWaalsContact C-N 3.29Å; W92-Q94 PolarHBondContact O-N 3.07Å; W92-V95 HydrophobicContact CZ3-CG1 4.47Å; W92-V95 WeakPolarHBondContact O-CB 3.27Å; W92-V95 PolarHBondContact O-N 3.16Å; W92-V95 VanDerWaalsContact O-N 3.15Å; W92-C96 VanDerWaalsContact CE2-SG 3.52Å; W92-C96 PolarHBondContact O-N 2.71Å; W92-C96 PolarHBondContact O-SG 3.16Å; W92-L106 HydrophobicContact CH2-CB 4.33Å; W92-L106 HydrophobicContact CH2-CD1 3.8Å; W92-L106 HydrophobicContact CZ2-CB 4.27Å; W92-S109 VanDerWaalsContact CD1-OG 3.32Å; W92-H110 AromaticContact NE1-CE1 3.88Å; W92-H110 AromaticContact NE1-ND1 3.3Å; W92-H110 PolarHBondContact NE1-ND1 3.14Å
93I88Confident86.1Confident1 Ų164.5 Ų64.51%0.00534%0.344CS..Hα-helixtrans-66.2-35177.1-66.8-54.8000111.4I87 L88 S90 V95 C96 N97 H110 I113I87-I93 HydrophobicContact CG2-CD1 3.99Å; I87-I93 HydrophobicContact CG2-CG1 3.65Å; I87-I93 WeakPolarHBondContact O-CG1 3.03Å; L88-I93 HydrophobicContact CD2-CG2 4.23Å; S90-I93 PolarHBondContact O-N 2.71Å; S90-I93 VanDerWaalsContact O-N 3.13Å; S90-I93 PolarHBondContact OG-N 3.09Å; I93-V95 VanDerWaalsContact C-N 3.28Å; I93-V95 PolarHBondContact O-N 3.23Å; I93-C96 PolarHBondContact O-N 3.3Å; I93-N97 WeakPolarHBondContact O-CB 3.37Å; I93-N97 PolarHBondContact O-N 3.38Å; I93-N97 PolarHBondContact O-ND2 3.29Å; I93-H110 HydrophobicContact CD1-CB 3.84Å; I93-I113 HydrophobicContact CD1-CD1 3.94Å; I93-I113 HydrophobicContact CG1-CD1 4.23Å
94Q86Confident85.8Confident95 Ų9568.9 Ų68.944%0.44437%0.369SS..Hα-helixtrans-61.4-38.6173.7-59-55.8-39.900111.6L88 S90 P91 W92 N98L88-Q94 PolarHBondContact O-NE2 2.77Å; S90-Q94 PolarHBondContact O-N 2.72Å; P91-Q94 WeakPolarHBondContact O-CB 3.45Å; P91-Q94 PolarHBondContact O-N 2.84Å; W92-Q94 VanDerWaalsContact C-N 3.29Å; W92-Q94 PolarHBondContact O-N 3.07Å; Q94-N98 PolarHBondContact O-N 3.44Å; Q94-N98 PolarHBondContact O-ND2 3.17Å
95V87.4Confident85.8Confident60 Ų6077.6 Ų77.636%0.36440%0.402SS..Hα-helixtrans-64.5-49.7172.5174.70000111P91 W92 I93 N97 N98 F99 L102P91-V95 WeakPolarHBondContact O-CG2 3.11Å; P91-V95 PolarHBondContact O-N 2.73Å; P91-V95 VanDerWaalsContact O-N 3.08Å; W92-V95 HydrophobicContact CZ3-CG1 4.47Å; W92-V95 WeakPolarHBondContact O-CB 3.27Å; W92-V95 PolarHBondContact O-N 3.16Å; W92-V95 VanDerWaalsContact O-N 3.15Å; I93-V95 VanDerWaalsContact C-N 3.28Å; I93-V95 PolarHBondContact O-N 3.23Å; V95-N97 VanDerWaalsContact C-N 3.28Å; V95-N97 PolarHBondContact O-N 3.22Å; V95-N98 PolarHBondContact O-N 2.73Å; V95-N98 VanDerWaalsContact O-N 3.14Å; V95-F99 HydrophobicContact CG1-CD2 4.24Å; V95-F99 WeakPolarHBondContact O-CD2 3.37Å; V95-F99 PolarHBondContact O-N 3.36Å; V95-L102 HydrophobicContact CG1-CD1 3.83Å
96C85.7Confident86.1Confident1 Ų177.7 Ų77.71%0.00740%0.403CS..Hα-helixtrans-58.1-38.4177.8-69.90000112.7W92 I93 N98 F99 P100 I103W92-C96 VanDerWaalsContact CE2-SG 3.52Å; W92-C96 PolarHBondContact O-N 2.71Å; W92-C96 PolarHBondContact O-SG 3.16Å; I93-C96 PolarHBondContact O-N 3.3Å; C96-N98 VanDerWaalsContact C-N 3.31Å; C96-N98 PolarHBondContact O-N 2.63Å; C96-F99 CarbonylContact O-C 3.11Å; C96-F99 PolarHBondContact O-N 3.07Å; C96-P100 VanDerWaalsContact O-CA 3.26Å; C96-P100 WeakPolarHBondContact O-CA 3.45Å; C96-P100 VanDerWaalsContact O-N 3.11Å; C96-I103 HydrophobicContact CB-CD1 4.09Å; C96-I103 HydrophobicContact CB-CG1 3.79Å
97N83.2Confident86.2Confident78 Ų7875.4 Ų75.442%0.41741%0.409SS..Hα-helixtrans-64.8-35.1178.4-72.8-16.3000112.5I93 V95I93-N97 WeakPolarHBondContact O-CB 3.37Å; I93-N97 PolarHBondContact O-N 3.38Å; I93-N97 PolarHBondContact O-ND2 3.29Å; V95-N97 VanDerWaalsContact C-N 3.28Å; V95-N97 PolarHBondContact O-N 3.22Å
98N84.2Confident86.2Confident116 Ų11676 Ų7662%0.6242%0.419SS*.Hα-helixtrans-83.2-25.6177.6-74.5-81.4000112.5Q94 V95 C96Q94-N98 PolarHBondContact O-N 3.44Å; Q94-N98 PolarHBondContact O-ND2 3.17Å; V95-N98 PolarHBondContact O-N 2.73Å; V95-N98 VanDerWaalsContact O-N 3.14Å; C96-N98 VanDerWaalsContact C-N 3.31Å; C96-N98 PolarHBondContact O-N 2.63Å
99F86.6Confident86.4Confident131 Ų13175.7 Ų75.758%0.57542%0.421SS*.  trans-130.372.9179-56.1-78.9000111V95 C96 A101 L102V95-F99 HydrophobicContact CG1-CD2 4.24Å; V95-F99 WeakPolarHBondContact O-CD2 3.37Å; V95-F99 PolarHBondContact O-N 3.36Å; C96-F99 CarbonylContact O-C 3.11Å; C96-F99 PolarHBondContact O-N 3.07Å; F99-A101 PolarHBondContact O-N 3.49Å; F99-A101 VanDerWaalsContact O-N 3.09Å; F99-L102 HydrophobicContact CB-CD1 3.71Å; F99-L102 HydrophobicContact CB-CG 3.9Å; F99-L102 HydrophobicContact CG-CD1 4.45Å; F99-L102 WeakPolarHBondContact O-CB 3.46Å; F99-L102 WeakPolarHBondContact O-CG 3.46Å; F99-L102 PolarHBondContact O-N 2.94Å
100P84.6Confident86.5Confident68 Ų6872 Ų7244%0.44239%0.394SS..THydrogen-bonded Turntrans-58.3-29.9-172.7-26.935.6000114.1C96 L102 I103C96-P100 VanDerWaalsContact O-CA 3.26Å; C96-P100 WeakPolarHBondContact O-CA 3.45Å; C96-P100 VanDerWaalsContact O-N 3.11Å; P100-L102 PolarHBondContact O-N 2.85Å; P100-L102 VanDerWaalsContact O-N 3.09Å; P100-I103 VanDerWaalsContact O-CB 3.27Å; P100-I103 WeakPolarHBondContact O-CB 3.46Å; P100-I103 WeakPolarHBondContact O-CG1 3.43Å; P100-I103 PolarHBondContact O-N 3.3Å
101A87.9Confident86.5Confident60 Ų6074.3 Ų74.350%0.49640%0.404SS..Hα-helixtrans-55.4-28.5176.100000112.8F99 I103 D104 Y105F99-A101 PolarHBondContact O-N 3.49Å; F99-A101 VanDerWaalsContact O-N 3.09Å; A101-I103 PolarHBondContact O-N 3.21Å; A101-D104 PolarHBondContact O-N 3.01Å; A101-Y105 WeakPolarHBondContact O-CD2 3.3Å
102L85.8Confident86.5Confident55 Ų5572.2 Ų72.229%0.28838%0.384SS..Hα-helixtrans-65.4-24.9178.1-62.9-179.9000113.2V95 F99 P100 D104 Y105 L106V95-L102 HydrophobicContact CG1-CD1 3.83Å; F99-L102 HydrophobicContact CB-CD1 3.71Å; F99-L102 HydrophobicContact CB-CG 3.9Å; F99-L102 HydrophobicContact CG-CD1 4.45Å; F99-L102 WeakPolarHBondContact O-CB 3.46Å; F99-L102 WeakPolarHBondContact O-CG 3.46Å; F99-L102 PolarHBondContact O-N 2.94Å; P100-L102 PolarHBondContact O-N 2.85Å; P100-L102 VanDerWaalsContact O-N 3.09Å; L102-D104 VanDerWaalsContact C-N 3.27Å; L102-D104 PolarHBondContact O-N 3.09Å; L102-Y105 PolarHBondContact O-N 2.98Å; L102-L106 HydrophobicContact CB-CD1 4.31Å; L102-L106 HydrophobicContact CD2-CD1 3.93Å; L102-L106 WeakPolarHBondContact O-CB 3.21Å; L102-L106 PolarHBondContact O-N 3.09Å
103I86.1Confident86.5Confident47 Ų4768.7 Ų68.724%0.24137%0.37CS..Hα-helixtrans-63.7-36.8178.6-61.6174.1000110.4C96 P100 A101 H110C96-I103 HydrophobicContact CB-CD1 4.09Å; C96-I103 HydrophobicContact CB-CG1 3.79Å; P100-I103 VanDerWaalsContact O-CB 3.27Å; P100-I103 WeakPolarHBondContact O-CB 3.46Å; P100-I103 WeakPolarHBondContact O-CG1 3.43Å; P100-I103 PolarHBondContact O-N 3.3Å; A101-I103 PolarHBondContact O-N 3.21Å; I103-H110 PolarHBondContact O-NE2 2.82Å
104D83.4Confident86.4Confident131 Ų13171.4 Ų71.470%0.70139%0.393SS*.Hα-helixtrans-78.4-21.1-175.8-62.3-36.6000113.1A101 L102A101-D104 PolarHBondContact O-N 3.01Å; L102-D104 VanDerWaalsContact C-N 3.27Å; L102-D104 PolarHBondContact O-N 3.09Å
105Y86.6Confident86.7Confident192 Ų19272.1 Ų72.175%0.75340%0.397SS*.Hα-helixtrans-114.9-20.5-170.2-60.9-66.2000115A101 L102A101-Y105 WeakPolarHBondContact O-CD2 3.3Å; L102-Y105 PolarHBondContact O-N 2.98Å
106L88.1Confident86.9Confident74 Ų7469.4 Ų69.439%0.38738%0.38SS..SBendtrans-117136-174.4-62.3178.9000111.1W92 L102 H110W92-L106 HydrophobicContact CH2-CB 4.33Å; W92-L106 HydrophobicContact CH2-CD1 3.8Å; W92-L106 HydrophobicContact CZ2-CB 4.27Å; L102-L106 HydrophobicContact CB-CD1 4.31Å; L102-L106 HydrophobicContact CD2-CD1 3.93Å; L102-L106 WeakPolarHBondContact O-CB 3.21Å; L102-L106 PolarHBondContact O-N 3.09Å; L106-H110 PolarHBondContact O-CE1 3.32Å; L106-H110 PolarHBondContact O-NE2 2.77Å; L106-H110 VanDerWaalsContact O-NE2 3.1Å
107P87.9Confident87Confident113 Ų11373.6 Ų73.673%0.73440%0.398SS*.  trans-67.2144.6169.330.2-33.9000110
108G87.6Confident87.4Confident28 Ų2872.8 Ų72.829%0.28940%0.403SS..SBendtrans-177.5-175.2174.900000114H110 N111G108-H110 PolarHBondContact O-N 2.91Å; G108-H110 VanDerWaalsContact O-N 3.13Å; G108-N111 WeakPolarHBondContact O-CB 3.31Å; G108-N111 PolarHBondContact O-N 3.18Å
109S88.2Confident87.7Confident39 Ų3970.6 Ų70.627%0.27339%0.386SS..Hα-helixtrans-64.7-15.4-178.357.30000113.9I87 W92 N111 K112 I113I87-S109 WeakPolarHBondContact CG2-OG 3.27Å; W92-S109 VanDerWaalsContact CD1-OG 3.32Å; S109-N111 PolarHBondContact O-N 3.13Å; S109-K112 WeakPolarHBondContact O-CB 3.24Å; S109-K112 PolarHBondContact O-N 3.01Å; S109-K112 VanDerWaalsContact O-N 3.12Å; S109-I113 PolarHBondContact O-N 3.28Å
110H84.1Confident87.9Confident9 Ų964.3 Ų64.34%0.04236%0.359CS..Hα-helixtrans-62.6-28.517157.8-104000112.7W92 I93 I103 L106 G108 K112 I113 A114W92-H110 AromaticContact NE1-CE1 3.88Å; W92-H110 AromaticContact NE1-ND1 3.3Å; W92-H110 PolarHBondContact NE1-ND1 3.14Å; I93-H110 HydrophobicContact CD1-CB 3.84Å; I103-H110 PolarHBondContact O-NE2 2.82Å; L106-H110 PolarHBondContact O-CE1 3.32Å; L106-H110 PolarHBondContact O-NE2 2.77Å; L106-H110 VanDerWaalsContact O-NE2 3.1Å; G108-H110 PolarHBondContact O-N 2.91Å; G108-H110 VanDerWaalsContact O-N 3.13Å; H110-K112 VanDerWaalsContact C-N 3.28Å; H110-K112 PolarHBondContact O-N 3.17Å; H110-I113 WeakPolarHBondContact O-CB 3.26Å; H110-I113 PolarHBondContact O-N 3.06Å; H110-A114 PolarHBondContact O-N 2.7Å
111N87.3Confident88.2Confident75 Ų7566 Ų6640%0.40136%0.359SS..Hα-helixtrans-65.6-36.9174.2-69.8-27000111G108 S109 I113 A114 E115G108-N111 WeakPolarHBondContact O-CB 3.31Å; G108-N111 PolarHBondContact O-N 3.18Å; S109-N111 PolarHBondContact O-N 3.13Å; N111-I113 VanDerWaalsContact C-N 3.32Å; N111-I113 PolarHBondContact O-N 3.15Å; N111-A114 WeakPolarHBondContact O-CB 3.27Å; N111-A114 PolarHBondContact O-N 2.99Å; N111-A114 VanDerWaalsContact O-N 3.14Å; N111-E115 PolarHBondContact O-N 2.83Å
112K89.9Confident88.4Confident66 Ų6666.3 Ų66.329%0.28736%0.357SS..Hα-helixtrans-64.8-38.3176.3-170.957.9173.9-178.80111.9E83 I87 S109 H110 A114 E115 N116E83-K112 WeakPolarHBondContact OE2-CE 3.47Å; I87-K112 HydrophobicContact CD1-CB 3.87Å; I87-K112 HydrophobicContact CD1-CG 3.78Å; S109-K112 WeakPolarHBondContact O-CB 3.24Å; S109-K112 PolarHBondContact O-N 3.01Å; S109-K112 VanDerWaalsContact O-N 3.12Å; H110-K112 VanDerWaalsContact C-N 3.28Å; H110-K112 PolarHBondContact O-N 3.17Å; K112-A114 VanDerWaalsContact C-N 3.31Å; K112-A114 PolarHBondContact O-N 2.91Å; K112-E115 VanDerWaalsContact CD-OE2 3.3Å; K112-E115 WeakPolarHBondContact CD-OE2 3.42Å; K112-E115 IonicContact NZ-OE2 2.86Å; K112-E115 PolarHBondContact NZ-OE2 3.44Å; K112-E115 PolarHBondContact O-N 3.2Å; K112-N116 WeakPolarHBondContact O-CB 3.43Å; K112-N116 PolarHBondContact O-N 3.38Å; K112-N116 PolarHBondContact O-OD1 3.21Å
113I87.3Confident88.7Confident3 Ų364.1 Ų64.12%0.01535%0.345CS..Hα-helixtrans-58-45.5171.9-72.4171.5000110.5I87 L88 I93 S109 H110 N111 N116 F117I87-I113 HydrophobicContact CB-CD1 4.11Å; I87-I113 HydrophobicContact CB-CG1 4.15Å; I87-I113 HydrophobicContact CD1-CG1 4.39Å; I87-I113 HydrophobicContact CG2-CD1 3.49Å; I87-I113 VanDerWaalsContact CG2-CD1 3.49Å; I87-I113 HydrophobicContact CG2-CG1 3.79Å; L88-I113 HydrophobicContact CD2-CD1 3.88Å; L88-I113 HydrophobicContact CG-CD1 4.14Å; I93-I113 HydrophobicContact CD1-CD1 3.94Å; I93-I113 HydrophobicContact CG1-CD1 4.23Å; S109-I113 PolarHBondContact O-N 3.28Å; H110-I113 WeakPolarHBondContact O-CB 3.26Å; H110-I113 PolarHBondContact O-N 3.06Å; N111-I113 VanDerWaalsContact C-N 3.32Å; N111-I113 PolarHBondContact O-N 3.15Å; I113-N116 PolarHBondContact O-N 2.94Å; I113-F117 HydrophobicContact CG2-CD2 3.44Å; I113-F117 VanDerWaalsContact CG2-CD2 3.44Å; I113-F117 HydrophobicContact CG2-CE2 3.45Å; I113-F117 VanDerWaalsContact CG2-CE2 3.45Å; I113-F117 WeakPolarHBondContact O-CB 3.5Å; I113-F117 VanDerWaalsContact O-CD2 3.25Å; I113-F117 WeakPolarHBondContact O-CD2 3.22Å; I113-F117 PolarHBondContact O-N 3.5Å
114A87.3Confident89Confident59 Ų5961.9 Ų61.949%0.48833%0.334SS..Hα-helixtrans-63.1-43.5178.600000112.6H110 N111 K112 F117 A118H110-A114 PolarHBondContact O-N 2.7Å; N111-A114 WeakPolarHBondContact O-CB 3.27Å; N111-A114 PolarHBondContact O-N 2.99Å; N111-A114 VanDerWaalsContact O-N 3.14Å; K112-A114 VanDerWaalsContact C-N 3.31Å; K112-A114 PolarHBondContact O-N 2.91Å; A114-F117 PolarHBondContact O-N 3.08Å; A114-A118 PolarHBondContact O-N 3.2Å
115E91.1Very high89.5Confident110 Ų11058.1 Ų58.151%0.51431%0.314SS..Hα-helixtrans-58-47.9173.2-70.6172.8-165.600111.7N111 K112 F117 A118 Y119N111-E115 PolarHBondContact O-N 2.83Å; K112-E115 VanDerWaalsContact CD-OE2 3.3Å; K112-E115 WeakPolarHBondContact CD-OE2 3.42Å; K112-E115 IonicContact NZ-OE2 2.86Å; K112-E115 PolarHBondContact NZ-OE2 3.44Å; K112-E115 PolarHBondContact O-N 3.2Å; E115-F117 PolarHBondContact O-N 3.2Å; E115-A118 WeakPolarHBondContact O-CB 3.48Å; E115-A118 PolarHBondContact O-N 3.44Å; E115-Y119 PolarHBondContact O-N 3.46Å
116N91.6Very high89.9Confident2 Ų252.7 Ų52.71%0.01130%0.295CS..Hα-helixtrans-63.6-42.3-179.5-69.9-0.9000111.1K80 E83 N84 K112 I113 A118 Y119 I120K80-N116 HydrophobicContact CB-CB 4.17Å; K80-N116 HydrophobicContact CD-CB 4.15Å; K80-N116 VanDerWaalsContact CD-CG 3.45Å; K80-N116 WeakPolarHBondContact CD-OD1 3.47Å; E83-N116 PolarHBondContact OE2-ND2 2.94Å; E83-N116 PolarHBondContact OE2-OD1 3.48Å; N84-N116 WeakPolarHBondContact OD1-CB 3.39Å; N84-N116 PolarHBondContact OD1-ND2 2.73Å; K112-N116 WeakPolarHBondContact O-CB 3.43Å; K112-N116 PolarHBondContact O-N 3.38Å; K112-N116 PolarHBondContact O-OD1 3.21Å; I113-N116 PolarHBondContact O-N 2.94Å; N116-A118 PolarHBondContact O-N 3.44Å; N116-Y119 PolarHBondContact O-N 3.46Å; N116-I120 WeakPolarHBondContact O-CD1 3.47Å; N116-I120 VanDerWaalsContact O-CG1 3.29Å; N116-I120 WeakPolarHBondContact O-CG1 3.25Å; N116-I120 PolarHBondContact O-N 3.33Å
117F88.1Confident90.1Very high90 Ų9050.1 Ų50.140%0.39528%0.28SS..Hα-helixtrans-63.1-39.1173.7-90.5-64.7000112.7I113 A114 E115 Y119 I120 K121 T172I113-F117 HydrophobicContact CG2-CD2 3.44Å; I113-F117 VanDerWaalsContact CG2-CD2 3.44Å; I113-F117 HydrophobicContact CG2-CE2 3.45Å; I113-F117 VanDerWaalsContact CG2-CE2 3.45Å; I113-F117 WeakPolarHBondContact O-CB 3.5Å; I113-F117 VanDerWaalsContact O-CD2 3.25Å; I113-F117 WeakPolarHBondContact O-CD2 3.22Å; I113-F117 PolarHBondContact O-N 3.5Å; A114-F117 PolarHBondContact O-N 3.08Å; E115-F117 PolarHBondContact O-N 3.2Å; F117-Y119 VanDerWaalsContact C-N 3.32Å; F117-Y119 PolarHBondContact O-N 2.86Å; F117-I120 PolarHBondContact O-N 3.18Å; F117-K121 WeakPolarHBondContact O-CB 3.47Å; F117-K121 PolarHBondContact O-N 3.42Å; F117-T172 HydrophobicContact CD1-CG2 4.49Å; F117-T172 HydrophobicContact CE1-CG2 4.18Å
118A90.9Very high90.5Very high61 Ų6144.9 Ų44.950%0.50425%0.246SC..Hα-helixtrans-61.7-42.917600000111.3A114 E115 N116 S122A114-A118 PolarHBondContact O-N 3.2Å; E115-A118 WeakPolarHBondContact O-CB 3.48Å; E115-A118 PolarHBondContact O-N 3.44Å; N116-A118 PolarHBondContact O-N 3.44Å; A118-S122 PolarHBondContact O-N 2.92Å; A118-S122 PolarHBondContact O-OG 3.17Å
119Y92.2Very high90.9Very high69 Ų6949.3 Ų49.327%0.27126%0.257SS..Hα-helixtrans-61.3-53.5174.6-178-94.5000111.7N76 L77 K80 E115 N116 F117 K121 S122 Y123N76-Y119 PolarHBondContact ND2-OH 2.76Å; L77-Y119 HydrophobicContact CB-CE1 4.45Å; L77-Y119 HydrophobicContact CD1-CD1 4.38Å; L77-Y119 HydrophobicContact CD1-CE1 4.23Å; K80-Y119 HydrophobicContact CG-CD1 4.15Å; E115-Y119 PolarHBondContact O-N 3.46Å; N116-Y119 PolarHBondContact O-N 3.46Å; F117-Y119 VanDerWaalsContact C-N 3.32Å; F117-Y119 PolarHBondContact O-N 2.86Å; Y119-K121 VanDerWaalsContact C-N 3.3Å; Y119-K121 PolarHBondContact O-N 3.12Å; Y119-S122 PolarHBondContact O-N 3.04Å; Y119-S122 VanDerWaalsContact O-N 3.12Å; Y119-S122 PolarHBondContact O-OG 2.96Å; Y119-Y123 PolarHBondContact O-N 3.23Å
120I90.1Very high91.2Very high0 Ų051.3 Ų51.30%026%0.262CS..Hα-helixtrans-58-44.7179.3-65.3159.7000110.8L77 K80 F81 N116 F117 S122 Y123 V124 T172L77-I120 HydrophobicContact CD1-CB 4.33Å; L77-I120 HydrophobicContact CD1-CG1 3.72Å; L77-I120 HydrophobicContact CD1-CG2 4.4Å; K80-I120 HydrophobicContact CB-CD1 4.36Å; F81-I120 HydrophobicContact CD1-CD1 4.25Å; F81-I120 HydrophobicContact CE1-CD1 3.89Å; F81-I120 HydrophobicContact CE2-CD1 4.15Å; F81-I120 HydrophobicContact CE2-CG1 4.24Å; F81-I120 HydrophobicContact CE2-CG2 4.43Å; F81-I120 HydrophobicContact CZ-CD1 3.83Å; F81-I120 HydrophobicContact CZ-CG1 4.16Å; F81-I120 HydrophobicContact CZ-CG2 3.85Å; N116-I120 WeakPolarHBondContact O-CD1 3.47Å; N116-I120 VanDerWaalsContact O-CG1 3.29Å; N116-I120 WeakPolarHBondContact O-CG1 3.25Å; N116-I120 PolarHBondContact O-N 3.33Å; F117-I120 PolarHBondContact O-N 3.18Å; I120-S122 PolarHBondContact O-N 2.83Å; I120-Y123 WeakPolarHBondContact O-CB 3.13Å; I120-Y123 PolarHBondContact O-N 2.93Å; I120-V124 HydrophobicContact CG2-CG2 4.32Å; I120-V124 WeakPolarHBondContact O-CG2 3.37Å; I120-V124 PolarHBondContact O-N 3.22Å; I120-T172 HydrophobicContact CG2-CG2 3.74Å
121K90.5Very high91.7Very high104 Ų10451.4 Ų51.445%0.45226%0.263SS..Hα-helixtrans-59.1-44.3176.9176.7170.2-177.6-179.10112F117 Y119 Y123 V124 L125 I168F117-K121 WeakPolarHBondContact O-CB 3.47Å; F117-K121 PolarHBondContact O-N 3.42Å; Y119-K121 VanDerWaalsContact C-N 3.3Å; Y119-K121 PolarHBondContact O-N 3.12Å; K121-Y123 VanDerWaalsContact C-N 3.34Å; K121-V124 PolarHBondContact O-N 2.97Å; K121-L125 HydrophobicContact CG-CD1 3.96Å; K121-L125 HydrophobicContact CG-CG 4.5Å; K121-L125 VanDerWaalsContact O-CB 3.31Å; K121-L125 WeakPolarHBondContact O-CB 3.41Å; K121-L125 WeakPolarHBondContact O-CG 3.41Å; K121-L125 PolarHBondContact O-N 3.46Å; K121-I168 HydrophobicContact CD-CG2 4.49Å; K121-I168 HydrophobicContact CG-CG2 3.97Å
122S93.2Very high92.1Very high66 Ų6652.1 Ų52.146%0.46226%0.263SS..Hα-helixtrans-62.3-41.4177.165.90000112.4A118 Y119 I120 L125 E126A118-S122 PolarHBondContact O-N 2.92Å; A118-S122 PolarHBondContact O-OG 3.17Å; Y119-S122 PolarHBondContact O-N 3.04Å; Y119-S122 VanDerWaalsContact O-N 3.12Å; Y119-S122 PolarHBondContact O-OG 2.96Å; I120-S122 PolarHBondContact O-N 2.83Å; S122-L125 PolarHBondContact O-N 2.67Å; S122-E126 PolarHBondContact O-N 3.45Å
123Y91.6Very high92.4Very high8 Ų856.9 Ų56.93%0.03129%0.287CS..Hα-helixtrans-63.4-47.8177.3179.6-86.2000111.6F63 F67 L77 Y119 I120 K121 L125 E126 R127F63-Y123 HydrophobicContact CE2-CE1 4.45Å; F63-Y123 HydrophobicContact CZ-CE1 4.32Å; F67-Y123 WeakPolarHBondContact CE1-OH 3.11Å; F67-Y123 WeakPolarHBondContact CZ-OH 3.46Å; L77-Y123 HydrophobicContact CD2-CD1 3.7Å; L77-Y123 HydrophobicContact CD2-CD2 4.4Å; L77-Y123 HydrophobicContact CD2-CE1 3.59Å; L77-Y123 HydrophobicContact CD2-CE2 4.28Å; L77-Y123 HydrophobicContact CD2-CG 4.12Å; Y119-Y123 PolarHBondContact O-N 3.23Å; I120-Y123 WeakPolarHBondContact O-CB 3.13Å; I120-Y123 PolarHBondContact O-N 2.93Å; K121-Y123 VanDerWaalsContact C-N 3.34Å; Y123-L125 VanDerWaalsContact C-N 3.32Å; Y123-L125 PolarHBondContact O-N 3.12Å; Y123-E126 WeakPolarHBondContact O-CB 3.37Å; Y123-E126 PolarHBondContact O-N 2.72Å; Y123-R127 HydrophobicContact CD1-CG 4.3Å; Y123-R127 HydrophobicContact CE1-CG 3.87Å; Y123-R127 WeakPolarHBondContact O-CG 3.27Å; Y123-R127 PolarHBondContact O-N 2.65Å; Y123-R127 VanDerWaalsContact O-N 3.11Å
124V91.7Very high92.7Very high1 Ų159.7 Ų59.71%0.00631%0.307CS..Hα-helixtrans-62.8-40.4177.9172.40000111I120 K121 E126 R127 I128 I168 V171I120-V124 HydrophobicContact CG2-CG2 4.32Å; I120-V124 WeakPolarHBondContact O-CG2 3.37Å; I120-V124 PolarHBondContact O-N 3.22Å; K121-V124 PolarHBondContact O-N 2.97Å; V124-E126 PolarHBondContact O-N 3.45Å; V124-R127 PolarHBondContact O-N 3.48Å; V124-I128 HydrophobicContact CG1-CD1 3.75Å; V124-I128 HydrophobicContact CG1-CG1 4.31Å; V124-I128 VanDerWaalsContact O-CG1 3.26Å; V124-I128 WeakPolarHBondContact O-CG1 3.33Å; V124-I128 PolarHBondContact O-N 3.43Å; V124-I168 HydrophobicContact CG1-CB 4.47Å; V124-I168 HydrophobicContact CG1-CG1 4.35Å; V124-I168 HydrophobicContact CG1-CG2 4.44Å; V124-V171 HydrophobicContact CB-CG1 4.4Å; V124-V171 HydrophobicContact CG1-CB 3.91Å; V124-V171 HydrophobicContact CG1-CG1 3.64Å; V124-V171 HydrophobicContact CG2-CG1 3.84Å
125L94.6Very high93.1Very high52 Ų5259.3 Ų59.327%0.27230%0.296SS..Hα-helixtrans-61.6-41175.2-85169.7000113K121 S122 Y123 I128 K129 V164 I168K121-L125 HydrophobicContact CG-CD1 3.96Å; K121-L125 HydrophobicContact CG-CG 4.5Å; K121-L125 VanDerWaalsContact O-CB 3.31Å; K121-L125 WeakPolarHBondContact O-CB 3.41Å; K121-L125 WeakPolarHBondContact O-CG 3.41Å; K121-L125 PolarHBondContact O-N 3.46Å; S122-L125 PolarHBondContact O-N 2.67Å; Y123-L125 VanDerWaalsContact C-N 3.32Å; Y123-L125 PolarHBondContact O-N 3.12Å; L125-I128 PolarHBondContact O-N 3.01Å; L125-K129 WeakPolarHBondContact O-CG 3.49Å; L125-K129 PolarHBondContact O-N 3.18Å; L125-K129 VanDerWaalsContact O-N 3.09Å; L125-V164 HydrophobicContact CD2-CG1 4.34Å; L125-I168 HydrophobicContact CD1-CD1 4.27Å; L125-I168 HydrophobicContact CD2-CD1 3.41Å; L125-I168 VanDerWaalsContact CD2-CD1 3.41Å; L125-I168 HydrophobicContact CD2-CG1 4.08Å; L125-I168 HydrophobicContact CG-CD1 3.7Å; L125-I168 HydrophobicContact CG-CG1 4.22Å
126E94.2Very high93.1Very high77 Ų7757.6 Ų57.636%0.3629%0.291SS..Hα-helixtrans-59.6-49.3174.9-172.9-174.9147.600110.4R73 S122 Y123 V124 I128 K129 E130R73-E126 IonicContact NH1-OE1 2.78Å; S122-E126 PolarHBondContact O-N 3.45Å; Y123-E126 WeakPolarHBondContact O-CB 3.37Å; Y123-E126 PolarHBondContact O-N 2.72Å; V124-E126 PolarHBondContact O-N 3.45Å; E126-I128 PolarHBondContact O-N 2.96Å; E126-K129 PolarHBondContact O-N 3.21Å; E126-E130 PolarHBondContact O-N 3.05Å; E126-E130 VanDerWaalsContact O-N 3.16Å
127R93.7Very high93.2Very high21 Ų2161.6 Ų61.68%0.07931%0.31CS..Hα-helixtrans-60.6-44177.2-64.6-67.187.682.6-0.4112.1F63 Y123 V124 K129 E130 H131F63-R127 HydrophobicContact CD1-CB 3.84Å; F63-R127 HydrophobicContact CD1-CG 3.95Å; F63-R127 HydrophobicContact CE1-CB 3.8Å; F63-R127 HydrophobicContact CE1-CG 3.89Å; Y123-R127 HydrophobicContact CD1-CG 4.3Å; Y123-R127 HydrophobicContact CE1-CG 3.87Å; Y123-R127 WeakPolarHBondContact O-CG 3.27Å; Y123-R127 PolarHBondContact O-N 2.65Å; Y123-R127 VanDerWaalsContact O-N 3.11Å; V124-R127 PolarHBondContact O-N 3.48Å; R127-K129 VanDerWaalsContact C-N 3.31Å; R127-K129 PolarHBondContact O-N 3.28Å; R127-E130 IonicContact CZ-OE1 3.36Å; R127-E130 IonicContact CZ-OE2 3.86Å; R127-E130 IonicContact NE-OE1 3.37Å; R127-E130 IonicContact NE-OE2 2.66Å; R127-E130 PolarHBondContact NE-OE2 2.73Å; R127-E130 VanDerWaalsContact NH2-CD 3.27Å; R127-E130 IonicContact NH2-OE1 3.54Å; R127-E130 PolarHBondContact NH2-OE1 2.83Å; R127-E130 IonicContact NH2-OE2 3.28Å; R127-E130 PolarHBondContact NH2-OE2 3.4Å; R127-E130 VanDerWaalsContact NH2-OE2 3.16Å; R127-E130 PolarHBondContact O-N 3.32Å; R127-H131 PolarHBondContact O-N 3.33Å; R127-H131 VanDerWaalsContact O-N 3.07Å; R127-H131 PolarHBondContact O-ND1 3.11Å
128I94.8Very high93.3Very high2 Ų264.7 Ų64.71%0.0133%0.331CS..Hα-helixtrans-58.8-42.9177.7-70.6165.7000111V124 L125 E126 H131 Q132 I144 L148 L167 I168V124-I128 HydrophobicContact CG1-CD1 3.75Å; V124-I128 HydrophobicContact CG1-CG1 4.31Å; V124-I128 VanDerWaalsContact O-CG1 3.26Å; V124-I128 WeakPolarHBondContact O-CG1 3.33Å; V124-I128 PolarHBondContact O-N 3.43Å; L125-I128 PolarHBondContact O-N 3.01Å; E126-I128 PolarHBondContact O-N 2.96Å; I128-H131 PolarHBondContact O-N 3.05Å; I128-Q132 HydrophobicContact CG2-CG 4.41Å; I128-Q132 WeakPolarHBondContact O-CG 3.19Å; I128-Q132 PolarHBondContact O-N 3.11Å; I128-I144 HydrophobicContact CG1-CD1 4.27Å; I128-I144 HydrophobicContact CG1-CG2 4.45Å; I128-L148 HydrophobicContact CG2-CD2 4.38Å; I128-L167 HydrophobicContact CD1-CB 4.45Å; I128-L167 HydrophobicContact CD1-CD2 3.83Å; I128-L167 HydrophobicContact CD1-CG 3.72Å; I128-L167 HydrophobicContact CG1-CD2 3.87Å; I128-L167 HydrophobicContact CG1-CG 4.15Å; I128-L167 HydrophobicContact CG2-CD2 4.05Å; I128-I168 HydrophobicContact CD1-CG1 3.68Å
129K95.8Very high93.2Very high122 Ų12265.1 Ų65.153%0.5333%0.33SS..Hα-helixtrans-62.7-44.7178.8-73.2174.9-179.6-178.40112.1L125 E126 R127 H131 Q132 E133L125-K129 WeakPolarHBondContact O-CG 3.49Å; L125-K129 PolarHBondContact O-N 3.18Å; L125-K129 VanDerWaalsContact O-N 3.09Å; E126-K129 PolarHBondContact O-N 3.21Å; R127-K129 VanDerWaalsContact C-N 3.31Å; R127-K129 PolarHBondContact O-N 3.28Å; K129-H131 VanDerWaalsContact C-N 3.26Å; K129-H131 PolarHBondContact O-N 2.88Å; K129-Q132 WeakPolarHBondContact O-CB 3.28Å; K129-Q132 PolarHBondContact O-N 3.35Å; K129-Q132 VanDerWaalsContact O-N 3.12Å; K129-E133 WeakPolarHBondContact O-CG 3.31Å; K129-E133 PolarHBondContact O-N 3.45Å
130E94.9Very high93.1Very high80 Ų8063.6 Ų63.637%0.37433%0.332SS..Hα-helixtrans-60.2-37.6176.2-68.6170.1174.400112.2E126 R127 E133 S134E126-E130 PolarHBondContact O-N 3.05Å; E126-E130 VanDerWaalsContact O-N 3.16Å; R127-E130 IonicContact CZ-OE1 3.36Å; R127-E130 IonicContact CZ-OE2 3.86Å; R127-E130 IonicContact NE-OE1 3.37Å; R127-E130 IonicContact NE-OE2 2.66Å; R127-E130 PolarHBondContact NE-OE2 2.73Å; R127-E130 VanDerWaalsContact NH2-CD 3.27Å; R127-E130 IonicContact NH2-OE1 3.54Å; R127-E130 PolarHBondContact NH2-OE1 2.83Å; R127-E130 IonicContact NH2-OE2 3.28Å; R127-E130 PolarHBondContact NH2-OE2 3.4Å; R127-E130 VanDerWaalsContact NH2-OE2 3.16Å; R127-E130 PolarHBondContact O-N 3.32Å; E130-E133 PolarHBondContact O-N 3.49Å; E130-S134 PolarHBondContact O-N 3.02Å; E130-S134 PolarHBondContact O-OG 3.29Å
131H95.9Very high93.2Very high12 Ų1267.5 Ų67.56%0.05635%0.347CS..Hα-helixtrans-68.7-40.3175.5-71.762.8000111.2R127 I128 K129 E133 S134 L135 D142 I144 D145 L148R127-H131 PolarHBondContact O-N 3.33Å; R127-H131 VanDerWaalsContact O-N 3.07Å; R127-H131 PolarHBondContact O-ND1 3.11Å; I128-H131 PolarHBondContact O-N 3.05Å; K129-H131 VanDerWaalsContact C-N 3.26Å; K129-H131 PolarHBondContact O-N 2.88Å; H131-E133 VanDerWaalsContact C-N 3.34Å; H131-E133 PolarHBondContact O-N 3.37Å; H131-S134 CarbonylContact O-C 3.42Å; H131-S134 PolarHBondContact O-N 3.27Å; H131-L135 WeakPolarHBondContact O-CA 3.15Å; H131-L135 WeakPolarHBondContact O-CB 3.28Å; H131-L135 PolarHBondContact O-N 2.83Å; H131-D142 IonicContact CD2-OD1 3.6Å; H131-D142 PolarHBondContact CD2-OD1 3.1Å; H131-D142 IonicContact CD2-OD2 3.66Å; H131-D142 PolarHBondContact CD2-OD2 3.32Å; H131-D142 IonicContact NE2-OD1 2.76Å; H131-D142 IonicContact NE2-OD2 3.79Å; H131-D142 PolarHBondContact NE2-OD2 2.91Å; H131-I144 HydrophobicContact CB-CG2 3.55Å; H131-D145 IonicContact CD2-OD1 3.55Å; H131-D145 PolarHBondContact CD2-OD1 2.87Å; H131-D145 IonicContact CG-OD1 2.77Å; H131-L148 HydrophobicContact CB-CD1 3.86Å
132Q94.8Very high93.3Very high89 Ų8962.6 Ų62.642%0.41633%0.325SS..Hα-helixtrans-61.2-40.4175.3-73176-30.800112.6I128 K129 S134 L148I128-Q132 HydrophobicContact CG2-CG 4.41Å; I128-Q132 WeakPolarHBondContact O-CG 3.19Å; I128-Q132 PolarHBondContact O-N 3.11Å; K129-Q132 WeakPolarHBondContact O-CB 3.28Å; K129-Q132 PolarHBondContact O-N 3.35Å; K129-Q132 VanDerWaalsContact O-N 3.12Å; Q132-S134 VanDerWaalsContact C-N 3.27Å; Q132-S134 PolarHBondContact O-N 2.82Å; Q132-L148 HydrophobicContact CG-CD1 3.76Å; Q132-L148 HydrophobicContact CG-CD2 3.93Å
133E95.3Very high93.3Very high167 Ų16759.4 Ų59.478%0.7830%0.304SS*.Hα-helixtrans-67.2-27.9179.3-72174.7-174.700113.1K129 E130 H131K129-E133 WeakPolarHBondContact O-CG 3.31Å; K129-E133 PolarHBondContact O-N 3.45Å; E130-E133 PolarHBondContact O-N 3.49Å; H131-E133 VanDerWaalsContact C-N 3.34Å; H131-E133 PolarHBondContact O-N 3.37Å
134S94.3Very high93.5Very high62 Ų6259 Ų5943%0.43430%0.302SS..THydrogen-bonded Turntrans-115.212.9-174.258.90000114E130 H131 Q132 D136 R141E130-S134 PolarHBondContact O-N 3.02Å; E130-S134 PolarHBondContact O-OG 3.29Å; H131-S134 CarbonylContact O-C 3.42Å; H131-S134 PolarHBondContact O-N 3.27Å; Q132-S134 VanDerWaalsContact C-N 3.27Å; Q132-S134 PolarHBondContact O-N 2.82Å; S134-D136 PolarHBondContact O-N 3.02Å; S134-R141 PolarHBondContact OG-NH1 3.21Å; S134-R141 PolarHBondContact OG-NH2 3.24Å; S134-R141 VanDerWaalsContact OG-NH2 3.1Å
135L94.8Very high93.6Very high51 Ų5159 Ų5927%0.26730%0.302SS..  trans-67.6124.7-171.8-172.864.5000112.1H131 M137 D145 L148 I149H131-L135 WeakPolarHBondContact O-CA 3.15Å; H131-L135 WeakPolarHBondContact O-CB 3.28Å; H131-L135 PolarHBondContact O-N 2.83Å; L135-M137 HydrophobicContact CD2-SD 3.96Å; L135-M137 HydrophobicContact CG-SD 4.47Å; L135-D145 HydrophobicContact CD1-CB 3.89Å; L135-D145 WeakPolarHBondContact CD1-OD1 3.42Å; L135-L148 HydrophobicContact CD1-CB 4.32Å; L135-L148 HydrophobicContact CD1-CD1 4.47Å; L135-L148 HydrophobicContact CD2-CB 3.94Å; L135-I149 HydrophobicContact CD1-CD1 4.46Å; L135-I149 HydrophobicContact CD1-CG1 4.16Å; L135-I149 HydrophobicContact CD2-CG1 4.48Å
136D93Very high93.7Very high74 Ų7458 Ų5840%0.39630%0.298SS..  trans-103.8113.1165.7-178.71.6000110.3S134 N138 S139S134-D136 PolarHBondContact O-N 3.02Å; D136-N138 PolarHBondContact O-N 2.6Å; D136-N138 VanDerWaalsContact O-N 3.1Å; D136-N138 PolarHBondContact OD1-N 3.15Å; D136-N138 PolarHBondContact OD1-ND2 2.7Å; D136-S139 CarbonylContact O-C 3.59Å; D136-S139 PolarHBondContact O-N 2.76Å; D136-S139 VanDerWaalsContact O-N 3.15Å; D136-S139 WeakPolarHBondContact OD2-CB 3.32Å
137M92.6Very high93.7Very high85 Ų8554.3 Ų54.342%0.41928%0.281SS..THydrogen-bonded Turntrans-60.8-19.7179.6-68-62-65.400114L135 I149 E152L135-M137 HydrophobicContact CD2-SD 3.96Å; L135-M137 HydrophobicContact CG-SD 4.47Å; M137-I149 HydrophobicContact CE-CB 4.41Å; M137-I149 HydrophobicContact CE-CG1 4.3Å; M137-I149 HydrophobicContact CE-CG2 4.03Å; M137-I149 HydrophobicContact SD-CG1 3.88Å; M137-E152 HydrophobicContact CE-CB 3.93Å; M137-E152 HydrophobicContact CE-CG 3.71Å; M137-E152 HydrophobicContact SD-CB 4.44Å; M137-E152 HydrophobicContact SD-CG 4.28Å
138N90.5Very high93.8Very high155 Ų15553.5 Ų53.583%0.82928%0.279SS*.THydrogen-bonded Turntrans-97-14.1-178.7-56.4-61.8000113.2D136D136-N138 PolarHBondContact O-N 2.6Å; D136-N138 VanDerWaalsContact O-N 3.1Å; D136-N138 PolarHBondContact OD1-N 3.15Å; D136-N138 PolarHBondContact OD1-ND2 2.7Å
139S88.9Confident93.9Very high70 Ų7054.3 Ų54.349%0.4928%0.283SS..  trans-147.286.7-172-178.30000111.8D136 R141D136-S139 CarbonylContact O-C 3.59Å; D136-S139 PolarHBondContact O-N 2.76Å; D136-S139 VanDerWaalsContact O-N 3.15Å; D136-S139 WeakPolarHBondContact OD2-CB 3.32Å; S139-R141 PolarHBondContact O-N 3.21Å
140A91.1Very high93.8Very high38 Ų3851 Ų5131%0.31427%0.268SS..  trans-68129.3173.600000111.9D145 C146 I149A140-D145 HydrophobicContact CB-CB 3.84Å; A140-C146 VanDerWaalsContact CB-SG 3.51Å; A140-I149 HydrophobicContact CB-CD1 3.86Å
141R91.1Very high93.8Very high81 Ų8149.2 Ų49.231%0.30626%0.26SS..  trans-84-34.2179.6-61.2167.2-68.6-171-4113H64 S134 S139 D145H64-R141 HydrophobicContact CB-CB 4.22Å; H64-R141 PolarHBondContact ND1-O 3.11Å; H64-R141 VanDerWaalsContact ND1-O 3.07Å; S134-R141 PolarHBondContact OG-NH1 3.21Å; S134-R141 PolarHBondContact OG-NH2 3.24Å; S134-R141 VanDerWaalsContact OG-NH2 3.1Å; S139-R141 PolarHBondContact O-N 3.21Å; R141-D145 VanDerWaalsContact CB-OD2 3.3Å; R141-D145 WeakPolarHBondContact CB-OD2 3.42Å; R141-D145 WeakPolarHBondContact CG-OD2 3.44Å; R141-D145 IonicContact CZ-OD1 3.58Å; R141-D145 IonicContact CZ-OD2 3.99Å; R141-D145 PolarHBondContact N-OD2 3.29Å; R141-D145 IonicContact NE-OD1 2.99Å; R141-D145 IonicContact NE-OD2 2.7Å; R141-D145 PolarHBondContact NE-OD2 2.92Å; R141-D145 IonicContact NH2-OD1 3.69Å; R141-D145 PolarHBondContact NH2-OD1 3.06Å; R141-D145 IonicContact NH2-OD2 3.65Å; R141-D145 PolarHBondContact NH2-OD2 3.23Å
142D92.4Very high93.7Very high1 Ų152.6 Ų52.61%0.00528%0.276CS..SBendtrans-155.2-173.1-170.151.955.5000112F14 V61 I62 H64 H131 I144 D145 C146F14-D142 WeakPolarHBondContact CZ-O 3.46Å; V61-D142 WeakPolarHBondContact O-CB 3.49Å; I62-D142 WeakPolarHBondContact O-CB 3.39Å; H64-D142 HydrophobicContact CB-CB 4Å; H64-D142 WeakPolarHBondContact CB-OD2 3.37Å; H64-D142 PolarHBondContact N-OD2 2.79Å; H131-D142 IonicContact CD2-OD1 3.6Å; H131-D142 PolarHBondContact CD2-OD1 3.1Å; H131-D142 IonicContact CD2-OD2 3.66Å; H131-D142 PolarHBondContact CD2-OD2 3.32Å; H131-D142 IonicContact NE2-OD1 2.76Å; H131-D142 IonicContact NE2-OD2 3.79Å; H131-D142 PolarHBondContact NE2-OD2 2.91Å; D142-I144 PolarHBondContact OD1-N 3.33Å; D142-D145 PolarHBondContact OD1-N 3.1Å; D142-C146 PolarHBondContact O-N 2.54Å; D142-C146 VanDerWaalsContact O-N 3.13Å; D142-C146 PolarHBondContact O-SG 3.15Å
143F93.3Very high93.7Very high0 Ų054.6 Ų54.60%029%0.286CS..Hα-helixtrans-60.6-41.6178.6-178-90.7000113.3F6 C7 T10 V61 C146 F147 L167 T170 V171 M174F6-F143 HydrophobicContact CE1-CE2 4.27Å; F6-F143 HydrophobicContact CE1-CZ 4.3Å; C7-F143 HydrophobicContact CB-CE2 4.1Å; C7-F143 HydrophobicContact CB-CZ 4.39Å; C7-F143 WeakPolarHBondContact SG-CZ 3.49Å; T10-F143 HydrophobicContact CG2-CD2 3.62Å; T10-F143 HydrophobicContact CG2-CE2 4.16Å; V61-F143 WeakPolarHBondContact O-CB 3.2Å; V61-F143 PolarHBondContact O-N 2.81Å; F143-C146 WeakPolarHBondContact O-CB 3.29Å; F143-C146 PolarHBondContact O-N 3.21Å; F143-F147 HydrophobicContact CE1-CB 4.43Å; F143-F147 HydrophobicContact CE1-CD2 4.04Å; F143-F147 HydrophobicContact CZ-CD2 4Å; F143-F147 PolarHBondContact O-N 3.14Å; F143-L167 HydrophobicContact CE1-CD1 4.26Å; F143-T170 HydrophobicContact CE1-CG2 3.82Å; F143-T170 HydrophobicContact CZ-CG2 3.58Å; F143-V171 HydrophobicContact CD1-CG2 4.22Å; F143-V171 HydrophobicContact CE1-CG2 4.28Å; F143-M174 HydrophobicContact CD1-SD 4.37Å; F143-M174 HydrophobicContact CD2-CE 4.02Å; F143-M174 HydrophobicContact CD2-SD 4.12Å; F143-M174 HydrophobicContact CE1-SD 4.05Å; F143-M174 HydrophobicContact CE2-CE 4.22Å; F143-M174 HydrophobicContact CE2-SD 3.77Å; F143-M174 HydrophobicContact CG-CE 4.3Å; F143-M174 HydrophobicContact CG-SD 4.42Å; F143-M174 HydrophobicContact CZ-SD 3.75Å
144I95.1Very high93.6Very high0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-64.1-47.7-178.1-72.5178.4000109.5I62 F63 I128 H131 D142 C146 F147 L148 L167 V171I62-I144 HydrophobicContact CG2-CD1 4.15Å; I62-I144 HydrophobicContact CG2-CG1 4.16Å; I62-I144 WeakPolarHBondContact O-CG1 3.5Å; I62-I144 PolarHBondContact O-N 3.23Å; F63-I144 HydrophobicContact CD1-CD1 3.46Å; F63-I144 VanDerWaalsContact CD1-CD1 3.46Å; F63-I144 HydrophobicContact CE1-CD1 3.58Å; I128-I144 HydrophobicContact CG1-CD1 4.27Å; I128-I144 HydrophobicContact CG1-CG2 4.45Å; H131-I144 HydrophobicContact CB-CG2 3.55Å; D142-I144 PolarHBondContact OD1-N 3.33Å; I144-C146 VanDerWaalsContact C-N 3.3Å; I144-C146 PolarHBondContact O-N 3.2Å; I144-F147 PolarHBondContact O-N 3.32Å; I144-F147 VanDerWaalsContact O-N 3.1Å; I144-L148 HydrophobicContact CG2-CD1 3.73Å; I144-L148 HydrophobicContact CG2-CG 4.09Å; I144-L148 WeakPolarHBondContact O-CB 3.45Å; I144-L148 VanDerWaalsContact O-CG 3.31Å; I144-L148 WeakPolarHBondContact O-CG 3.45Å; I144-L148 PolarHBondContact O-N 3.32Å; I144-L167 HydrophobicContact CG1-CD1 4.45Å; I144-L167 HydrophobicContact CG2-CD2 4.43Å; I144-V171 HydrophobicContact CD1-CG2 4.32Å; I144-V171 HydrophobicContact CG1-CG2 3.95Å
145D95.4Very high93.4Very high0 Ų051 Ų510%026%0.26CS..Hα-helixtrans-57-45.7175.8-80.3-2.2000111.5H131 L135 A140 R141 D142 F147 L148 I149H131-D145 IonicContact CD2-OD1 3.55Å; H131-D145 PolarHBondContact CD2-OD1 2.87Å; H131-D145 IonicContact CG-OD1 2.77Å; L135-D145 HydrophobicContact CD1-CB 3.89Å; L135-D145 WeakPolarHBondContact CD1-OD1 3.42Å; A140-D145 HydrophobicContact CB-CB 3.84Å; R141-D145 VanDerWaalsContact CB-OD2 3.3Å; R141-D145 WeakPolarHBondContact CB-OD2 3.42Å; R141-D145 WeakPolarHBondContact CG-OD2 3.44Å; R141-D145 IonicContact CZ-OD1 3.58Å; R141-D145 IonicContact CZ-OD2 3.99Å; R141-D145 PolarHBondContact N-OD2 3.29Å; R141-D145 IonicContact NE-OD1 2.99Å; R141-D145 IonicContact NE-OD2 2.7Å; R141-D145 PolarHBondContact NE-OD2 2.92Å; R141-D145 IonicContact NH2-OD1 3.69Å; R141-D145 PolarHBondContact NH2-OD1 3.06Å; R141-D145 IonicContact NH2-OD2 3.65Å; R141-D145 PolarHBondContact NH2-OD2 3.23Å; D142-D145 PolarHBondContact OD1-N 3.1Å; D145-F147 VanDerWaalsContact C-N 3.29Å; D145-F147 PolarHBondContact O-N 3.43Å; D145-L148 PolarHBondContact O-N 2.82Å; D145-I149 WeakPolarHBondContact O-CB 3.49Å; D145-I149 WeakPolarHBondContact O-CD1 2.96Å; D145-I149 VanDerWaalsContact O-CG1 3.24Å; D145-I149 WeakPolarHBondContact O-CG1 3.3Å; D145-I149 PolarHBondContact O-N 3.23Å
146C94.9Very high93.2Very high30 Ų3056.4 Ų56.420%0.20328%0.284CS..Hα-helixtrans-57-43.9176.8-75.90000111.6F6 T10 A140 D142 F143 I144 K150F6-C146 HydrophobicContact CZ-CB 4.03Å; F6-C146 WeakPolarHBondContact CZ-O 3.06Å; T10-C146 HydrophobicContact CG2-CB 3.87Å; A140-C146 VanDerWaalsContact CB-SG 3.51Å; D142-C146 PolarHBondContact O-N 2.54Å; D142-C146 VanDerWaalsContact O-N 3.13Å; D142-C146 PolarHBondContact O-SG 3.15Å; F143-C146 WeakPolarHBondContact O-CB 3.29Å; F143-C146 PolarHBondContact O-N 3.21Å; I144-C146 VanDerWaalsContact C-N 3.3Å; I144-C146 PolarHBondContact O-N 3.2Å; C146-K150 WeakPolarHBondContact O-CB 3.45Å; C146-K150 PolarHBondContact O-N 3.39Å
147F95.6Very high93.1Very high0 Ų056.4 Ų56.40%028%0.284CS..Hα-helixtrans-70.3-41.5-179.9-160.3-70.7000111.6I3 F6 F143 I144 D145 K150 M151 F162 L167I3-F147 HydrophobicContact CG2-CE2 4.38Å; F6-F147 HydrophobicContact CD1-CD2 4.07Å; F6-F147 HydrophobicContact CE1-CB 4.07Å; F6-F147 AromaticContact CE1-CD2 3.72Å; F6-F147 HydrophobicContact CE1-CD2 3.72Å; F6-F147 HydrophobicContact CE1-CG 4.19Å; F6-F147 HydrophobicContact CZ-CB 4.41Å; F143-F147 HydrophobicContact CE1-CB 4.43Å; F143-F147 HydrophobicContact CE1-CD2 4.04Å; F143-F147 HydrophobicContact CZ-CD2 4Å; F143-F147 PolarHBondContact O-N 3.14Å; I144-F147 PolarHBondContact O-N 3.32Å; I144-F147 VanDerWaalsContact O-N 3.1Å; D145-F147 VanDerWaalsContact C-N 3.29Å; D145-F147 PolarHBondContact O-N 3.43Å; F147-K150 WeakPolarHBondContact O-CB 3.41Å; F147-K150 PolarHBondContact O-N 3.42Å; F147-M151 WeakPolarHBondContact O-CB 3.49Å; F147-M151 PolarHBondContact O-N 3.47Å; F147-F162 HydrophobicContact CD1-CD1 4.12Å; F147-F162 HydrophobicContact CD2-CD1 4.32Å; F147-F162 HydrophobicContact CD2-CE1 4.48Å; F147-F162 HydrophobicContact CE1-CB 4.08Å; F147-F162 AromaticContact CE1-CD1 3.69Å; F147-F162 HydrophobicContact CE1-CD1 3.69Å; F147-F162 HydrophobicContact CE1-CG 4.35Å; F147-F162 AromaticContact CE2-CD1 3.92Å; F147-F162 HydrophobicContact CE2-CD1 3.92Å; F147-F162 HydrophobicContact CE2-CE1 4.17Å; F147-F162 HydrophobicContact CG-CD1 4.41Å; F147-F162 HydrophobicContact CZ-CB 4.44Å; F147-F162 AromaticContact CZ-CD1 3.57Å; F147-F162 HydrophobicContact CZ-CD1 3.57Å; F147-F162 HydrophobicContact CZ-CE1 4.26Å; F147-F162 HydrophobicContact CZ-CG 4.36Å; F147-L167 HydrophobicContact CB-CD1 3.71Å; F147-L167 HydrophobicContact CD1-CB 3.82Å; F147-L167 HydrophobicContact CD1-CD1 3.87Å; F147-L167 HydrophobicContact CD1-CD2 4.2Å; F147-L167 HydrophobicContact CD1-CG 4.17Å; F147-L167 HydrophobicContact CD2-CD1 3.99Å; F147-L167 HydrophobicContact CE1-CB 3.73Å; F147-L167 HydrophobicContact CE1-CD1 4.48Å; F147-L167 HydrophobicContact CG-CB 4.39Å; F147-L167 HydrophobicContact CG-CD1 3.6Å; F147-L167 HydrophobicContact CG-CG 4.4Å; F147-L167 HydrophobicContact CZ-CB 4.21Å
148L96.3Very high92.8Very high5 Ų562 Ų623%0.02631%0.309CS..Hα-helixtrans-62.6-43.7176.7-70.8176000111.6I128 H131 Q132 L135 I144 D145 K150 M151 E152 L167I128-L148 HydrophobicContact CG2-CD2 4.38Å; H131-L148 HydrophobicContact CB-CD1 3.86Å; Q132-L148 HydrophobicContact CG-CD1 3.76Å; Q132-L148 HydrophobicContact CG-CD2 3.93Å; L135-L148 HydrophobicContact CD1-CB 4.32Å; L135-L148 HydrophobicContact CD1-CD1 4.47Å; L135-L148 HydrophobicContact CD2-CB 3.94Å; I144-L148 HydrophobicContact CG2-CD1 3.73Å; I144-L148 HydrophobicContact CG2-CG 4.09Å; I144-L148 WeakPolarHBondContact O-CB 3.45Å; I144-L148 VanDerWaalsContact O-CG 3.31Å; I144-L148 WeakPolarHBondContact O-CG 3.45Å; I144-L148 PolarHBondContact O-N 3.32Å; D145-L148 PolarHBondContact O-N 2.82Å; L148-K150 VanDerWaalsContact C-N 3.31Å; L148-K150 PolarHBondContact O-N 2.97Å; L148-M151 HydrophobicContact CD2-CE 3.61Å; L148-M151 WeakPolarHBondContact O-CB 3.4Å; L148-M151 PolarHBondContact O-N 3.29Å; L148-E152 PolarHBondContact O-N 3.05Å; L148-L167 HydrophobicContact CD2-CD2 3.8Å; L148-L167 HydrophobicContact CG-CD2 4.19Å
149I95.8Very high92.7Very high18 Ų1862.9 Ų62.99%0.09231%0.308CS..Hα-helixtrans-60.6-43.5174-70163.9000110.5L135 M137 A140 D145 M151 E152 Q153L135-I149 HydrophobicContact CD1-CD1 4.46Å; L135-I149 HydrophobicContact CD1-CG1 4.16Å; L135-I149 HydrophobicContact CD2-CG1 4.48Å; M137-I149 HydrophobicContact CE-CB 4.41Å; M137-I149 HydrophobicContact CE-CG1 4.3Å; M137-I149 HydrophobicContact CE-CG2 4.03Å; M137-I149 HydrophobicContact SD-CG1 3.88Å; A140-I149 HydrophobicContact CB-CD1 3.86Å; D145-I149 WeakPolarHBondContact O-CB 3.49Å; D145-I149 WeakPolarHBondContact O-CD1 2.96Å; D145-I149 VanDerWaalsContact O-CG1 3.24Å; D145-I149 WeakPolarHBondContact O-CG1 3.3Å; D145-I149 PolarHBondContact O-N 3.23Å; I149-M151 VanDerWaalsContact C-N 3.34Å; I149-E152 PolarHBondContact O-N 2.93Å; I149-Q153 VanDerWaalsContact O-CG 3.29Å; I149-Q153 WeakPolarHBondContact O-CG 3.35Å; I149-Q153 PolarHBondContact O-N 3.45Å
150K94.7Very high92.7Very high52 Ų5260.7 Ų60.723%0.22629%0.293CS..Hα-helixtrans-64.5-39.8178.1-177.857.8-179.51600112F6 C146 F147 L148 Q153 E154 F162F6-K150 HydrophobicContact CD2-CB 4.5Å; F6-K150 HydrophobicContact CD2-CG 4.07Å; F6-K150 HydrophobicContact CE2-CB 3.76Å; F6-K150 HydrophobicContact CE2-CD 4.44Å; F6-K150 HydrophobicContact CE2-CG 3.81Å; F6-K150 HydrophobicContact CZ-CB 4.03Å; F6-K150 HydrophobicContact CZ-CG 4.43Å; C146-K150 WeakPolarHBondContact O-CB 3.45Å; C146-K150 PolarHBondContact O-N 3.39Å; F147-K150 WeakPolarHBondContact O-CB 3.41Å; F147-K150 PolarHBondContact O-N 3.42Å; L148-K150 VanDerWaalsContact C-N 3.31Å; L148-K150 PolarHBondContact O-N 2.97Å; K150-Q153 PolarHBondContact O-N 3.42Å; K150-E154 WeakPolarHBondContact CE-OE1 3.48Å; K150-E154 IonicContact NZ-OE1 2.6Å; K150-E154 PolarHBondContact NZ-OE1 3.48Å; K150-E154 PolarHBondContact O-N 3.15Å; K150-E154 VanDerWaalsContact O-N 3.15Å; K150-F162 HydrophobicContact CB-CD1 4.26Å; K150-F162 HydrophobicContact CB-CE1 4.3Å; K150-F162 HydrophobicContact CD-CZ 4.44Å; K150-F162 HydrophobicContact CG-CD1 3.63Å; K150-F162 HydrophobicContact CG-CD2 4.27Å; K150-F162 HydrophobicContact CG-CE1 3.44Å; K150-F162 VanDerWaalsContact CG-CE1 3.44Å; K150-F162 HydrophobicContact CG-CE2 4.09Å; K150-F162 HydrophobicContact CG-CG 4.05Å; K150-F162 HydrophobicContact CG-CZ 3.69Å
151M94.7Very high92.7Very high43 Ų4362.8 Ų62.821%0.21230%0.296CS..Hα-helixtrans-61.9-43.6174.1-177.7172.174.100111.3F147 L148 I149 Q153 E154 K155 F162 V164F147-M151 WeakPolarHBondContact O-CB 3.49Å; F147-M151 PolarHBondContact O-N 3.47Å; L148-M151 HydrophobicContact CD2-CE 3.61Å; L148-M151 WeakPolarHBondContact O-CB 3.4Å; L148-M151 PolarHBondContact O-N 3.29Å; I149-M151 VanDerWaalsContact C-N 3.34Å; M151-Q153 PolarHBondContact O-N 3.28Å; M151-E154 CarbonylContact O-C 3.59Å; M151-E154 PolarHBondContact O-N 3.08Å; M151-E154 VanDerWaalsContact O-N 3.14Å; M151-K155 PolarHBondContact O-N 3.1Å; M151-K155 VanDerWaalsContact O-N 3.08Å; M151-F162 HydrophobicContact CB-CB 4.28Å; M151-F162 WeakPolarHBondContact CG-O 3.33Å; M151-V164 HydrophobicContact CE-CG2 4.22Å; M151-V164 HydrophobicContact SD-CG2 4.15Å
152E93.9Very high92.8Very high84 Ų8459.4 Ų59.439%0.39328%0.284SS..Hα-helixtrans-64.6-38.9176.3-176.859.4-156.200112.2M137 L148 I149 E154 K155M137-E152 HydrophobicContact CE-CB 3.93Å; M137-E152 HydrophobicContact CE-CG 3.71Å; M137-E152 HydrophobicContact SD-CB 4.44Å; M137-E152 HydrophobicContact SD-CG 4.28Å; L148-E152 PolarHBondContact O-N 3.05Å; I149-E152 PolarHBondContact O-N 2.93Å; E152-E154 PolarHBondContact O-N 3.15Å; E152-K155 WeakPolarHBondContact O-CB 3.34Å; E152-K155 WeakPolarHBondContact O-CG 3.3Å; E152-K155 PolarHBondContact O-N 3.17Å; E152-K155 VanDerWaalsContact OE1-CD 3.27Å; E152-K155 WeakPolarHBondContact OE1-CD 3.45Å; E152-K155 WeakPolarHBondContact OE1-CE 2.97Å; E152-K155 IonicContact OE1-NZ 2.68Å; E152-K155 PolarHBondContact OE1-NZ 3.45Å
153Q93.4Very high92.8Very high130 Ų13061.8 Ų61.861%0.60730%0.298SS*.Hα-helixtrans-63.3-27.6174.1-71.9170.53.800112.9I149 K150 M151I149-Q153 VanDerWaalsContact O-CG 3.29Å; I149-Q153 WeakPolarHBondContact O-CG 3.35Å; I149-Q153 PolarHBondContact O-N 3.45Å; K150-Q153 PolarHBondContact O-N 3.42Å; M151-Q153 PolarHBondContact O-N 3.28Å
154E93.4Very high92.8Very high33 Ų3363.9 Ų63.915%0.15431%0.311CS..THydrogen-bonded Turntrans-102.58.1-179.1-65.7-161.1179.100113.9K150 M151 E152 H156 N157 S160 F162K150-E154 WeakPolarHBondContact CE-OE1 3.48Å; K150-E154 IonicContact NZ-OE1 2.6Å; K150-E154 PolarHBondContact NZ-OE1 3.48Å; K150-E154 PolarHBondContact O-N 3.15Å; K150-E154 VanDerWaalsContact O-N 3.15Å; M151-E154 CarbonylContact O-C 3.59Å; M151-E154 PolarHBondContact O-N 3.08Å; M151-E154 VanDerWaalsContact O-N 3.14Å; E152-E154 PolarHBondContact O-N 3.15Å; E154-H156 PolarHBondContact O-N 3.46Å; E154-N157 HydrophobicContact CB-CB 4.48Å; E154-N157 WeakPolarHBondContact O-CB 3.27Å; E154-N157 PolarHBondContact O-N 3.1Å; E154-S160 WeakPolarHBondContact OE2-CB 3.47Å; E154-S160 PolarHBondContact OE2-OG 3.22Å; E154-F162 WeakPolarHBondContact OE2-CD2 3.09Å
155K90.5Very high92.6Very high120 Ų12070 Ų7052%0.52234%0.339SS..THydrogen-bonded Turntrans-55.9-24.7-174.373.9-175.5174.4-171.40115.6M151 E152M151-K155 PolarHBondContact O-N 3.1Å; M151-K155 VanDerWaalsContact O-N 3.08Å; E152-K155 WeakPolarHBondContact O-CB 3.34Å; E152-K155 WeakPolarHBondContact O-CG 3.3Å; E152-K155 PolarHBondContact O-N 3.17Å; E152-K155 VanDerWaalsContact OE1-CD 3.27Å; E152-K155 WeakPolarHBondContact OE1-CD 3.45Å; E152-K155 WeakPolarHBondContact OE1-CE 2.97Å; E152-K155 IonicContact OE1-NZ 2.68Å; E152-K155 PolarHBondContact OE1-NZ 3.45Å
156H91.1Very high92.4Very high166 Ų16670.6 Ų70.677%0.76934%0.344SS*.THydrogen-bonded Turntrans-94.2-3.7178.7-61.5-54.5000113.4E154E154-H156 PolarHBondContact O-N 3.46Å
157N91.3Very high92.3Very high74 Ų7469.2 Ų69.240%0.39633%0.334SS..  trans-91.7103176.1-179.29.8000110.3E154 Q159 S160E154-N157 HydrophobicContact CB-CB 4.48Å; E154-N157 WeakPolarHBondContact O-CB 3.27Å; E154-N157 PolarHBondContact O-N 3.1Å; N157-Q159 PolarHBondContact O-N 3.01Å; N157-Q159 VanDerWaalsContact O-N 3.11Å; N157-Q159 PolarHBondContact OD1-N 2.91Å; N157-S160 WeakPolarHBondContact O-CB 3.3Å; N157-S160 PolarHBondContact O-N 3Å; N157-S160 VanDerWaalsContact O-N 3.08Å
158Q85.3Confident92.1Very high201 Ų20169.9 Ų69.994%0.93934%0.338SS*.THydrogen-bonded Turntrans-63.8-15.2178.4-66.6-178-1000114
159Q88.3Confident91.8Very high174 Ų17470.4 Ų70.481%0.81334%0.343SS*.THydrogen-bonded Turntrans-101.39.4178-62-176.2-1400112.8N157 E161N157-Q159 PolarHBondContact O-N 3.01Å; N157-Q159 VanDerWaalsContact O-N 3.11Å; N157-Q159 PolarHBondContact OD1-N 2.91Å; Q159-E161 PolarHBondContact O-N 2.79Å
160S89.8Confident91.5Very high25 Ų2569.8 Ų69.818%0.17534%0.34CS..  trans-62.9132.6-178.8-175.90000111.6E154 N157 F162E154-S160 WeakPolarHBondContact OE2-CB 3.47Å; E154-S160 PolarHBondContact OE2-OG 3.22Å; N157-S160 WeakPolarHBondContact O-CB 3.3Å; N157-S160 PolarHBondContact O-N 3Å; N157-S160 VanDerWaalsContact O-N 3.08Å; S160-F162 PolarHBondContact OG-N 3.29Å
161E91Very high91.3Very high81 Ų8167.3 Ų67.338%0.37933%0.329SS..SBendtrans-78-6.6168.6-62.4-173.6157.600111.5K1 E2 I3 Q159 T163 S166K1-E161 PolarHBondContact N-OE1 2.88Å; K1-E161 PolarHBondContact N-OE2 2.84Å; E2-E161 PolarHBondContact N-OE2 3.27Å; I3-E161 HydrophobicContact CD1-CB 4.02Å; I3-E161 HydrophobicContact CG1-CB 4.09Å; Q159-E161 PolarHBondContact O-N 2.79Å; E161-T163 PolarHBondContact O-N 3.1Å; E161-S166 VanDerWaalsContact O-CB 3.3Å; E161-S166 WeakPolarHBondContact O-CB 3.41Å; E161-S166 PolarHBondContact O-OG 2.79Å
162F92.7Very high91Very high11 Ų1165.8 Ų65.85%0.04832%0.323CS..  trans-8887.2-176.7-66.4-94.1000111.1F6 F147 K150 M151 E154 S160F6-F162 HydrophobicContact CB-CE1 4.05Å; F6-F162 HydrophobicContact CB-CZ 3.9Å; F6-F162 AromaticContact CD1-CE1 3.9Å; F6-F162 HydrophobicContact CD1-CE1 3.9Å; F6-F162 HydrophobicContact CD2-CE1 4.04Å; F6-F162 HydrophobicContact CD2-CZ 4.22Å; F6-F162 HydrophobicContact CE1-CE1 4.38Å; F6-F162 AromaticContact CG-CE1 3.71Å; F6-F162 HydrophobicContact CG-CE1 3.71Å; F6-F162 AromaticContact CG-CZ 3.99Å; F6-F162 HydrophobicContact CG-CZ 3.99Å; F147-F162 HydrophobicContact CD1-CD1 4.12Å; F147-F162 HydrophobicContact CD2-CD1 4.32Å; F147-F162 HydrophobicContact CD2-CE1 4.48Å; F147-F162 HydrophobicContact CE1-CB 4.08Å; F147-F162 AromaticContact CE1-CD1 3.69Å; F147-F162 HydrophobicContact CE1-CD1 3.69Å; F147-F162 HydrophobicContact CE1-CG 4.35Å; F147-F162 AromaticContact CE2-CD1 3.92Å; F147-F162 HydrophobicContact CE2-CD1 3.92Å; F147-F162 HydrophobicContact CE2-CE1 4.17Å; F147-F162 HydrophobicContact CG-CD1 4.41Å; F147-F162 HydrophobicContact CZ-CB 4.44Å; F147-F162 AromaticContact CZ-CD1 3.57Å; F147-F162 HydrophobicContact CZ-CD1 3.57Å; F147-F162 HydrophobicContact CZ-CE1 4.26Å; F147-F162 HydrophobicContact CZ-CG 4.36Å; K150-F162 HydrophobicContact CB-CD1 4.26Å; K150-F162 HydrophobicContact CB-CE1 4.3Å; K150-F162 HydrophobicContact CD-CZ 4.44Å; K150-F162 HydrophobicContact CG-CD1 3.63Å; K150-F162 HydrophobicContact CG-CD2 4.27Å; K150-F162 HydrophobicContact CG-CE1 3.44Å; K150-F162 VanDerWaalsContact CG-CE1 3.44Å; K150-F162 HydrophobicContact CG-CE2 4.09Å; K150-F162 HydrophobicContact CG-CG 4.05Å; K150-F162 HydrophobicContact CG-CZ 3.69Å; M151-F162 HydrophobicContact CB-CB 4.28Å; M151-F162 WeakPolarHBondContact CG-O 3.33Å; E154-F162 WeakPolarHBondContact OE2-CD2 3.09Å; S160-F162 PolarHBondContact OG-N 3.29Å
163T93Very high90.7Very high50 Ų5064.2 Ų64.231%0.30732%0.317SS..  trans-116.4167.6175.474.80000112E161 E165 S166 L167E161-T163 PolarHBondContact O-N 3.1Å; T163-E165 VanDerWaalsContact C-N 3.27Å; T163-E165 WeakPolarHBondContact CB-OE2 3.11Å; T163-E165 PolarHBondContact O-N 3.44Å; T163-E165 PolarHBondContact OG1-N 3.49Å; T163-E165 PolarHBondContact OG1-OE2 2.9Å; T163-E165 VanDerWaalsContact OG1-OE2 3.09Å; T163-S166 WeakPolarHBondContact O-CB 3.47Å; T163-S166 PolarHBondContact O-N 3.45Å; T163-S166 PolarHBondContact OG1-N 3.36Å; T163-S166 VanDerWaalsContact OG1-N 3.11Å; T163-S166 PolarHBondContact OG1-OG 3.24Å; T163-S166 VanDerWaalsContact OG1-OG 3.08Å; T163-L167 PolarHBondContact O-N 3.03Å
164V91.9Very high90.4Very high45 Ų4558.6 Ų58.627%0.27329%0.29SS..Hα-helixtrans-60.5-39.2173.1174.60000110.7L125 M151 S166 L167 I168L125-V164 HydrophobicContact CD2-CG1 4.34Å; M151-V164 HydrophobicContact CE-CG2 4.22Å; M151-V164 HydrophobicContact SD-CG2 4.15Å; V164-S166 VanDerWaalsContact C-N 3.33Å; V164-S166 PolarHBondContact O-N 3.43Å; V164-L167 WeakPolarHBondContact O-CB 3.36Å; V164-L167 PolarHBondContact O-N 3.48Å; V164-I168 HydrophobicContact CG1-CD1 4.01Å; V164-I168 HydrophobicContact CG1-CG1 4.47Å; V164-I168 VanDerWaalsContact O-CG1 3.26Å; V164-I168 WeakPolarHBondContact O-CG1 3.47Å; V164-I168 PolarHBondContact O-N 3.45Å
165E91.3Very high90Very high127 Ų12757 Ų5759%0.59328%0.283SS*.Hα-helixtrans-62.3-42.8175.8-6370.2-15300111.3T163 L167 I168 A169T163-E165 VanDerWaalsContact C-N 3.27Å; T163-E165 WeakPolarHBondContact CB-OE2 3.11Å; T163-E165 PolarHBondContact O-N 3.44Å; T163-E165 PolarHBondContact OG1-N 3.49Å; T163-E165 PolarHBondContact OG1-OE2 2.9Å; T163-E165 VanDerWaalsContact OG1-OE2 3.09Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-I168 PolarHBondContact O-N 3.17Å; E165-A169 WeakPolarHBondContact O-CB 3.45Å; E165-A169 PolarHBondContact O-N 3.42Å
166S91.6Very high89.7Confident14 Ų1451.9 Ų51.910%0.09826%0.264CS..Hα-helixtrans-66-37.1177.2-60.80000111.7E161 T163 V164 T170E161-S166 VanDerWaalsContact O-CB 3.3Å; E161-S166 WeakPolarHBondContact O-CB 3.41Å; E161-S166 PolarHBondContact O-OG 2.79Å; T163-S166 WeakPolarHBondContact O-CB 3.47Å; T163-S166 PolarHBondContact O-N 3.45Å; T163-S166 PolarHBondContact OG1-N 3.36Å; T163-S166 VanDerWaalsContact OG1-N 3.11Å; T163-S166 PolarHBondContact OG1-OG 3.24Å; T163-S166 VanDerWaalsContact OG1-OG 3.08Å; V164-S166 VanDerWaalsContact C-N 3.33Å; V164-S166 PolarHBondContact O-N 3.43Å; S166-T170 WeakPolarHBondContact O-CB 3.37Å; S166-T170 PolarHBondContact O-N 3.31Å; S166-T170 PolarHBondContact O-OG1 3.46Å
167L93.5Very high89.5Confident0 Ų046.2 Ų46.20%025%0.246CC..Hα-helixtrans-64-47.7173.3177.353.6000111.5I128 F143 I144 F147 L148 T163 V164 E165 A169 T170 V171I128-L167 HydrophobicContact CD1-CB 4.45Å; I128-L167 HydrophobicContact CD1-CD2 3.83Å; I128-L167 HydrophobicContact CD1-CG 3.72Å; I128-L167 HydrophobicContact CG1-CD2 3.87Å; I128-L167 HydrophobicContact CG1-CG 4.15Å; I128-L167 HydrophobicContact CG2-CD2 4.05Å; F143-L167 HydrophobicContact CE1-CD1 4.26Å; I144-L167 HydrophobicContact CG1-CD1 4.45Å; I144-L167 HydrophobicContact CG2-CD2 4.43Å; F147-L167 HydrophobicContact CB-CD1 3.71Å; F147-L167 HydrophobicContact CD1-CB 3.82Å; F147-L167 HydrophobicContact CD1-CD1 3.87Å; F147-L167 HydrophobicContact CD1-CD2 4.2Å; F147-L167 HydrophobicContact CD1-CG 4.17Å; F147-L167 HydrophobicContact CD2-CD1 3.99Å; F147-L167 HydrophobicContact CE1-CB 3.73Å; F147-L167 HydrophobicContact CE1-CD1 4.48Å; F147-L167 HydrophobicContact CG-CB 4.39Å; F147-L167 HydrophobicContact CG-CD1 3.6Å; F147-L167 HydrophobicContact CG-CG 4.4Å; F147-L167 HydrophobicContact CZ-CB 4.21Å; L148-L167 HydrophobicContact CD2-CD2 3.8Å; L148-L167 HydrophobicContact CG-CD2 4.19Å; T163-L167 PolarHBondContact O-N 3.03Å; V164-L167 WeakPolarHBondContact O-CB 3.36Å; V164-L167 PolarHBondContact O-N 3.48Å; E165-L167 VanDerWaalsContact C-N 3.33Å; L167-A169 PolarHBondContact O-N 3.14Å; L167-T170 PolarHBondContact O-N 2.98Å; L167-V171 HydrophobicContact CD1-CG2 3.72Å; L167-V171 HydrophobicContact CG-CG2 4.46Å; L167-V171 WeakPolarHBondContact O-CB 3.45Å; L167-V171 WeakPolarHBondContact O-CG2 3.04Å; L167-V171 PolarHBondContact O-N 3.17Å
168I91.8Very high89.2Confident14 Ų1443.8 Ų43.87%0.07224%0.239CC..Hα-helixtrans-57.9-49.2177.3-68.3162.4000110.7K121 V124 L125 I128 V164 E165 T172K121-I168 HydrophobicContact CD-CG2 4.49Å; K121-I168 HydrophobicContact CG-CG2 3.97Å; V124-I168 HydrophobicContact CG1-CB 4.47Å; V124-I168 HydrophobicContact CG1-CG1 4.35Å; V124-I168 HydrophobicContact CG1-CG2 4.44Å; L125-I168 HydrophobicContact CD1-CD1 4.27Å; L125-I168 HydrophobicContact CD2-CD1 3.41Å; L125-I168 VanDerWaalsContact CD2-CD1 3.41Å; L125-I168 HydrophobicContact CD2-CG1 4.08Å; L125-I168 HydrophobicContact CG-CD1 3.7Å; L125-I168 HydrophobicContact CG-CG1 4.22Å; I128-I168 HydrophobicContact CD1-CG1 3.68Å; V164-I168 HydrophobicContact CG1-CD1 4.01Å; V164-I168 HydrophobicContact CG1-CG1 4.47Å; V164-I168 VanDerWaalsContact O-CG1 3.26Å; V164-I168 WeakPolarHBondContact O-CG1 3.47Å; V164-I168 PolarHBondContact O-N 3.45Å; E165-I168 PolarHBondContact O-N 3.17Å; I168-T172 VanDerWaalsContact O-CB 3.27Å; I168-T172 WeakPolarHBondContact O-CB 3.4Å; I168-T172 PolarHBondContact O-N 3.29Å; I168-T172 PolarHBondContact O-OG1 3.49Å
169A88.2Confident89.3Confident16 Ų1634.2 Ų34.213%0.13219%0.194CC..Hα-helixtrans-60.3-48.117900000110.7E165 L167 V171 T172 D173E165-A169 WeakPolarHBondContact O-CB 3.45Å; E165-A169 PolarHBondContact O-N 3.42Å; L167-A169 PolarHBondContact O-N 3.14Å; A169-V171 PolarHBondContact O-N 3.46Å; A169-T172 PolarHBondContact O-N 3.27Å; A169-D173 WeakPolarHBondContact O-CB 3.33Å; A169-D173 VanDerWaalsContact O-CG 3.3Å; A169-D173 PolarHBondContact O-N 2.97Å
170T90.3Very high89.1Confident5 Ų526.4 Ų26.43%0.03116%0.157CC..Hα-helixtrans-62.2-45.1-179.1-59.50000112.5I3 C7 F143 S166 L167 D173 M174I3-T170 HydrophobicContact CG2-CG2 4.37Å; I3-T170 WeakPolarHBondContact CG2-OG1 3.44Å; C7-T170 WeakPolarHBondContact SG-CG2 3.22Å; F143-T170 HydrophobicContact CE1-CG2 3.82Å; F143-T170 HydrophobicContact CZ-CG2 3.58Å; S166-T170 WeakPolarHBondContact O-CB 3.37Å; S166-T170 PolarHBondContact O-N 3.31Å; S166-T170 PolarHBondContact O-OG1 3.46Å; L167-T170 PolarHBondContact O-N 2.98Å; T170-D173 PolarHBondContact O-N 3.35Å; T170-M174 HydrophobicContact CG2-SD 4.02Å; T170-M174 WeakPolarHBondContact O-CB 3.34Å; T170-M174 VanDerWaalsContact O-CG 3.29Å; T170-M174 WeakPolarHBondContact O-CG 3.27Å; T170-M174 PolarHBondContact O-N 2.97Å
171V90.7Very high89Confident0 Ų027.4 Ų27.40%016%0.162CC..Hα-helixtrans-65.1-44.5177.8165.40000110.8I62 F63 V124 F143 I144 L167 A169 D173 M174 F175I62-V171 HydrophobicContact CG2-CB 4.43Å; I62-V171 HydrophobicContact CG2-CG1 3.72Å; I62-V171 HydrophobicContact CG2-CG2 4.02Å; F63-V171 HydrophobicContact CE1-CG1 3.96Å; F63-V171 HydrophobicContact CZ-CG1 3.85Å; V124-V171 HydrophobicContact CB-CG1 4.4Å; V124-V171 HydrophobicContact CG1-CB 3.91Å; V124-V171 HydrophobicContact CG1-CG1 3.64Å; V124-V171 HydrophobicContact CG2-CG1 3.84Å; F143-V171 HydrophobicContact CD1-CG2 4.22Å; F143-V171 HydrophobicContact CE1-CG2 4.28Å; I144-V171 HydrophobicContact CD1-CG2 4.32Å; I144-V171 HydrophobicContact CG1-CG2 3.95Å; L167-V171 HydrophobicContact CD1-CG2 3.72Å; L167-V171 HydrophobicContact CG-CG2 4.46Å; L167-V171 WeakPolarHBondContact O-CB 3.45Å; L167-V171 WeakPolarHBondContact O-CG2 3.04Å; L167-V171 PolarHBondContact O-N 3.17Å; A169-V171 PolarHBondContact O-N 3.46Å; V171-D173 VanDerWaalsContact C-N 3.35Å; V171-D173 PolarHBondContact O-N 2.74Å; V171-M174 PolarHBondContact O-N 3.49Å; V171-F175 WeakPolarHBondContact O-CB 3.29Å; V171-F175 PolarHBondContact O-N 2.92Å
172T88.8Confident89.1Confident12 Ų1226.4 Ų26.47%0.07416%0.162CC..Hα-helixtrans-61.2-44.8178.4-58.40000111.2F117 I120 I168 A169 F175 G176F117-T172 HydrophobicContact CD1-CG2 4.49Å; F117-T172 HydrophobicContact CE1-CG2 4.18Å; I120-T172 HydrophobicContact CG2-CG2 3.74Å; I168-T172 VanDerWaalsContact O-CB 3.27Å; I168-T172 WeakPolarHBondContact O-CB 3.4Å; I168-T172 PolarHBondContact O-N 3.29Å; I168-T172 PolarHBondContact O-OG1 3.49Å; A169-T172 PolarHBondContact O-N 3.27Å; T172-F175 PolarHBondContact O-N 2.98Å; T172-G176 PolarHBondContact O-N 3.26Å
173D86.2Confident89.1Confident50 Ų5026 Ų2627%0.26716%0.161SC..Hα-helixtrans-60.7-52.6177.1-79.10.6000111.4A169 T170 V171 F175 A177A169-D173 WeakPolarHBondContact O-CB 3.33Å; A169-D173 VanDerWaalsContact O-CG 3.3Å; A169-D173 PolarHBondContact O-N 2.97Å; T170-D173 PolarHBondContact O-N 3.35Å; V171-D173 VanDerWaalsContact C-N 3.35Å; V171-D173 PolarHBondContact O-N 2.74Å; D173-F175 VanDerWaalsContact C-N 3.28Å; D173-F175 PolarHBondContact O-N 3.32Å; D173-A177 WeakPolarHBondContact O-CB 3.24Å; D173-A177 PolarHBondContact O-N 2.91Å
174M87.6Confident89Confident12 Ų1224.3 Ų24.36%0.05915%0.15CC..Hα-helixtrans-60.6-41.3-179.5-73.5177.856.800111.5L11 I58 I62 F143 T170 V171 G178L11-M174 HydrophobicContact CD1-CE 3.96Å; L11-M174 HydrophobicContact CD2-CE 3.5Å; L11-M174 HydrophobicContact CG-CE 3.9Å; I58-M174 HydrophobicContact CD1-CE 4.36Å; I62-M174 HydrophobicContact CD1-CB 3.77Å; I62-M174 HydrophobicContact CD1-CE 4.37Å; I62-M174 HydrophobicContact CG1-CE 4.15Å; F143-M174 HydrophobicContact CD1-SD 4.37Å; F143-M174 HydrophobicContact CD2-CE 4.02Å; F143-M174 HydrophobicContact CD2-SD 4.12Å; F143-M174 HydrophobicContact CE1-SD 4.05Å; F143-M174 HydrophobicContact CE2-CE 4.22Å; F143-M174 HydrophobicContact CE2-SD 3.77Å; F143-M174 HydrophobicContact CG-CE 4.3Å; F143-M174 HydrophobicContact CG-SD 4.42Å; F143-M174 HydrophobicContact CZ-SD 3.75Å; T170-M174 HydrophobicContact CG2-SD 4.02Å; T170-M174 WeakPolarHBondContact O-CB 3.34Å; T170-M174 VanDerWaalsContact O-CG 3.29Å; T170-M174 WeakPolarHBondContact O-CG 3.27Å; T170-M174 PolarHBondContact O-N 2.97Å; V171-M174 PolarHBondContact O-N 3.49Å; M174-G178 PolarHBondContact O-N 3.41Å
175F85.1Confident89.2Confident1 Ų123.7 Ų23.70%0.00415%0.147CC..Hα-helixtrans-70-46.7-176.7-169-123000112.3C55 I58 C59 I62 F63 L77 F81 V171 T172 D173 T179C55-F175 WeakPolarHBondContact SG-CE2 3.46Å; C55-F175 WeakPolarHBondContact SG-CZ 3.35Å; I58-F175 HydrophobicContact CG2-CD2 3.58Å; I58-F175 HydrophobicContact CG2-CE2 3.81Å; C59-F175 WeakPolarHBondContact SG-CE2 3.32Å; I62-F175 HydrophobicContact CD1-CB 4.03Å; I62-F175 HydrophobicContact CD1-CD2 4.43Å; F63-F175 HydrophobicContact CE2-CD2 4.42Å; L77-F175 HydrophobicContact CD1-CE1 4.46Å; L77-F175 HydrophobicContact CD2-CD1 4.25Å; L77-F175 HydrophobicContact CD2-CE1 3.3Å; L77-F175 HydrophobicContact CD2-CZ 3.86Å; L77-F175 HydrophobicContact CG-CE1 3.7Å; L77-F175 HydrophobicContact CG-CZ 4.49Å; F81-F175 HydrophobicContact CD2-CD1 4.26Å; F81-F175 HydrophobicContact CD2-CE1 4.15Å; F81-F175 AromaticContact CE2-CD1 3.26Å; F81-F175 HydrophobicContact CE2-CD1 3.26Å; F81-F175 AromaticContact CE2-CE1 3.43Å; F81-F175 HydrophobicContact CE2-CE1 3.43Å; F81-F175 VanDerWaalsContact CE2-CE1 3.43Å; F81-F175 HydrophobicContact CE2-CG 4.39Å; F81-F175 AromaticContact CZ-CD1 3.54Å; F81-F175 HydrophobicContact CZ-CD1 3.54Å; F81-F175 HydrophobicContact CZ-CE1 4.19Å; F81-F175 HydrophobicContact CZ-CG 4.43Å; V171-F175 WeakPolarHBondContact O-CB 3.29Å; V171-F175 PolarHBondContact O-N 2.92Å; T172-F175 PolarHBondContact O-N 2.98Å; D173-F175 VanDerWaalsContact C-N 3.28Å; D173-F175 PolarHBondContact O-N 3.32Å; F175-T179 VanDerWaalsContact O-CB 3.27Å; F175-T179 WeakPolarHBondContact O-CB 3.37Å; F175-T179 PolarHBondContact O-N 2.89Å; F175-T179 PolarHBondContact O-OG1 3.31Å
176G84.7Confident89.5Confident12 Ų1221.2 Ų21.212%0.12414%0.137CC..Hα-helixtrans-66.4-47.2176.100000112.8F81 T172 T179 E180F81-G176 VanDerWaalsContact CD1-CA 3.48Å; T172-G176 PolarHBondContact O-N 3.26Å; G176-T179 PolarHBondContact O-N 2.95Å; G176-E180 PolarHBondContact O-N 2.77Å
177A85.8Confident89.6Confident46 Ų4624.3 Ų24.338%0.3815%0.147SC..Hα-helixtrans-64.8-41.9-178.500000112.3D173 T181D173-A177 WeakPolarHBondContact O-CB 3.24Å; D173-A177 PolarHBondContact O-N 2.91Å; A177-T181 PolarHBondContact O-OG1 3.24Å
178G85.9Confident89.8Confident24 Ų2429.7 Ų29.725%0.24717%0.168CC..Hα-helixtrans-70.5-30.2-179.800000114M174 T182M174-G178 PolarHBondContact O-N 3.41Å; G178-T182 PolarHBondContact O-OG1 3.01Å
179T87.2Confident90.1Very high0 Ų029.2 Ų29.20%017%0.167CC..Hα-helixtrans-83.9-62.2-175.2-59.30000112.3C55 F175 G176 S183C55-T179 WeakPolarHBondContact CA-OG1 3.31Å; C55-T179 HydrophobicContact CB-CG2 3.6Å; F175-T179 VanDerWaalsContact O-CB 3.27Å; F175-T179 WeakPolarHBondContact O-CB 3.37Å; F175-T179 PolarHBondContact O-N 2.89Å; F175-T179 PolarHBondContact O-OG1 3.31Å; G176-T179 PolarHBondContact O-N 2.95Å; T179-S183 WeakPolarHBondContact O-CB 3.16Å; T179-S183 PolarHBondContact O-N 3.48Å
180E84.7Confident90.5Very high9 Ų932 Ų324%0.04218%0.179CC..Hα-helixtrans-73.3-39.2-165-73.7-63.3134.800113.3F81 N82 L85 G176 S183 T184F81-E180 HydrophobicContact CB-CG 3.69Å; N82-E180 WeakPolarHBondContact CA-OE2 3.44Å; N82-E180 PolarHBondContact N-OE1 2.87Å; N82-E180 PolarHBondContact ND2-OE2 3.47Å; L85-E180 HydrophobicContact CD1-CB 3.43Å; L85-E180 VanDerWaalsContact CD1-CB 3.43Å; L85-E180 HydrophobicContact CD1-CG 3.96Å; G176-E180 PolarHBondContact O-N 2.77Å; E180-S183 PolarHBondContact O-N 2.89Å; E180-T184 VanDerWaalsContact O-CB 3.29Å; E180-T184 WeakPolarHBondContact O-CB 3.42Å; E180-T184 PolarHBondContact O-N 3.48Å; E180-T184 PolarHBondContact O-OG1 3.26Å
181T88Confident90.8Very high46 Ų4636.8 Ų36.828%0.28220%0.204SC..Hα-helixtrans-65.5-45.7-177.461.40000110.9A177 T185 L241A177-T181 PolarHBondContact O-OG1 3.24Å; T181-T185 WeakPolarHBondContact O-CB 3.35Å; T181-T185 PolarHBondContact O-N 2.93Å; T181-T185 PolarHBondContact O-OG1 3Å; T181-L241 HydrophobicContact CG2-CD2 4.43Å
182T92.8Very high91.2Very high60 Ų6037.1 Ų37.137%0.36821%0.206SC..Hα-helixtrans-65-48176.1-46.50000111.2P54 G178 T184 T185 L186P54-T182 HydrophobicContact CB-CG2 3.78Å; P54-T182 HydrophobicContact CG-CG2 4.31Å; G178-T182 PolarHBondContact O-OG1 3.01Å; T182-T184 VanDerWaalsContact C-N 3.35Å; T182-T184 PolarHBondContact O-N 3.44Å; T182-T185 PolarHBondContact O-N 3.39Å; T182-L186 HydrophobicContact CG2-CD1 4.28Å; T182-L186 WeakPolarHBondContact O-CG 3.17Å; T182-L186 PolarHBondContact O-N 2.86Å
183S92.5Very high91.6Very high3 Ų338.5 Ų38.52%0.02121%0.212CC..Hα-helixtrans-57-47178.1176.60000112G51 T179 E180 T185 L186 R187G51-S183 VanDerWaalsContact CA-OG 3.27Å; G51-S183 WeakPolarHBondContact CA-OG 3.37Å; T179-S183 WeakPolarHBondContact O-CB 3.16Å; T179-S183 PolarHBondContact O-N 3.48Å; E180-S183 PolarHBondContact O-N 2.89Å; S183-T185 PolarHBondContact O-N 2.91Å; S183-L186 PolarHBondContact O-N 3.27Å; S183-R187 VanDerWaalsContact O-CG 3.27Å; S183-R187 WeakPolarHBondContact O-CG 3.39Å; S183-R187 PolarHBondContact O-N 2.95Å
184T91.3Very high92.1Very high15 Ų1543.1 Ų43.19%0.09224%0.236CC..Hα-helixtrans-65.4-41179.3-59.20000111.6E180 T182 L186 R187 Y188 L241E180-T184 VanDerWaalsContact O-CB 3.29Å; E180-T184 WeakPolarHBondContact O-CB 3.42Å; E180-T184 PolarHBondContact O-N 3.48Å; E180-T184 PolarHBondContact O-OG1 3.26Å; T182-T184 VanDerWaalsContact C-N 3.35Å; T182-T184 PolarHBondContact O-N 3.44Å; T184-L186 PolarHBondContact O-N 3.11Å; T184-R187 PolarHBondContact O-N 3.31Å; T184-Y188 HydrophobicContact CG2-CD2 3.89Å; T184-Y188 HydrophobicContact CG2-CE2 4.05Å; T184-Y188 WeakPolarHBondContact O-CD2 3.41Å; T184-Y188 PolarHBondContact O-N 3.32Å; T184-L241 HydrophobicContact CG2-CD1 3.59Å
185T95.9Very high92.6Very high32 Ų3248.4 Ų48.420%0.19626%0.259CS..Hα-helixtrans-61.4-43.6175.2-57.30000111.5T181 T182 S183 Y188 G189 I235 Q236 I239T181-T185 WeakPolarHBondContact O-CB 3.35Å; T181-T185 PolarHBondContact O-N 2.93Å; T181-T185 PolarHBondContact O-OG1 3Å; T182-T185 PolarHBondContact O-N 3.39Å; S183-T185 PolarHBondContact O-N 2.91Å; T185-Y188 PolarHBondContact O-N 3.34Å; T185-G189 PolarHBondContact O-N 3.06Å; T185-I235 HydrophobicContact CG2-CG2 4.09Å; T185-Q236 HydrophobicContact CG2-CG 3.93Å; T185-I239 HydrophobicContact CG2-CD1 3.9Å
186L96.8Very high93.3Very high75 Ų7550 Ų5039%0.39327%0.265SS..Hα-helixtrans-63.9-42.5176.3-71.2172.5000112.1T182 S183 T184 G189 L190T182-L186 HydrophobicContact CG2-CD1 4.28Å; T182-L186 WeakPolarHBondContact O-CG 3.17Å; T182-L186 PolarHBondContact O-N 2.86Å; S183-L186 PolarHBondContact O-N 3.27Å; T184-L186 PolarHBondContact O-N 3.11Å; L186-G189 PolarHBondContact O-N 2.97Å; L186-L190 PolarHBondContact O-N 3.27Å
187R95Very high93.9Very high78 Ų7853.4 Ų53.429%0.29429%0.285SS..Hα-helixtrans-60.9-48.1177-73.3164.366.8-125-3.7111.6T47 L50 S183 T184 G189 L190 L191T47-R187 PolarHBondContact OG1-NE 3.05Å; T47-R187 VanDerWaalsContact OG1-NE 3.08Å; T47-R187 PolarHBondContact OG1-NH2 2.89Å; L50-R187 HydrophobicContact CB-CG 4.33Å; L50-R187 HydrophobicContact CD1-CB 4.5Å; L50-R187 HydrophobicContact CD1-CG 3.75Å; S183-R187 VanDerWaalsContact O-CG 3.27Å; S183-R187 WeakPolarHBondContact O-CG 3.39Å; S183-R187 PolarHBondContact O-N 2.95Å; T184-R187 PolarHBondContact O-N 3.31Å; R187-G189 VanDerWaalsContact C-N 3.34Å; R187-L190 PolarHBondContact O-N 2.77Å; R187-L191 PolarHBondContact O-N 3.43Å
188Y96.7Very high94.5Very high113 Ų11356.1 Ų56.144%0.44329%0.29SS..Hα-helixtrans-64.4-39.6173.8-92-82.1000112T184 T185 L190 L191 L192 I239T184-Y188 HydrophobicContact CG2-CD2 3.89Å; T184-Y188 HydrophobicContact CG2-CE2 4.05Å; T184-Y188 WeakPolarHBondContact O-CD2 3.41Å; T184-Y188 PolarHBondContact O-N 3.32Å; T185-Y188 PolarHBondContact O-N 3.34Å; Y188-L190 PolarHBondContact O-N 2.81Å; Y188-L191 WeakPolarHBondContact O-CB 3.36Å; Y188-L191 PolarHBondContact O-N 3.31Å; Y188-L192 WeakPolarHBondContact O-CB 3.29Å; Y188-L192 VanDerWaalsContact O-CG 3.27Å; Y188-L192 WeakPolarHBondContact O-CG 3.33Å; Y188-L192 PolarHBondContact O-N 3.34Å; Y188-I239 HydrophobicContact CD1-CG2 3.87Å; Y188-I239 HydrophobicContact CG-CB 4.45Å; Y188-I239 HydrophobicContact CG-CG2 3.77Å
189G97.9Very high95.1Very high5 Ų555.3 Ų55.35%0.05228%0.28CS..Hα-helixtrans-56.1-49175.900000112T185 L186 R187 L191 L192 L193T185-G189 PolarHBondContact O-N 3.06Å; L186-G189 PolarHBondContact O-N 2.97Å; R187-G189 VanDerWaalsContact C-N 3.34Å; G189-L191 PolarHBondContact O-N 2.82Å; G189-L192 PolarHBondContact O-N 3.43Å; G189-L193 WeakPolarHBondContact O-CB 3.19Å; G189-L193 VanDerWaalsContact O-CG 3.29Å; G189-L193 WeakPolarHBondContact O-CG 3.33Å; G189-L193 PolarHBondContact O-N 3.47Å
190L96.6Very high95.6Very high74 Ų7456.8 Ų56.839%0.38729%0.289SS..Hα-helixtrans-62.7-42.6174.6-70.6-170.7000112.5L50 L186 R187 Y188 L192 L193 L194L50-L190 HydrophobicContact CD1-CD1 3.55Å; L50-L190 HydrophobicContact CD1-CG 4.36Å; L50-L190 HydrophobicContact CD2-CD1 4.08Å; L50-L190 HydrophobicContact CG-CD1 4.38Å; L186-L190 PolarHBondContact O-N 3.27Å; R187-L190 PolarHBondContact O-N 2.77Å; Y188-L190 PolarHBondContact O-N 2.81Å; L190-L192 VanDerWaalsContact C-N 3.3Å; L190-L192 PolarHBondContact O-N 3.23Å; L190-L193 PolarHBondContact O-N 2.99Å; L190-L194 VanDerWaalsContact O-CG 3.29Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 2.83Å
191L97.4Very high96.3Very high105 Ų10558.8 Ų58.855%0.5531%0.307SS..Hα-helixtrans-59.6-42177.117962.5000111.8R187 Y188 G189 L194 K195R187-L191 PolarHBondContact O-N 3.43Å; Y188-L191 WeakPolarHBondContact O-CB 3.36Å; Y188-L191 PolarHBondContact O-N 3.31Å; G189-L191 PolarHBondContact O-N 2.82Å; L191-L194 PolarHBondContact O-N 3.4Å; L191-K195 WeakPolarHBondContact O-CB 3.4Å; L191-K195 PolarHBondContact O-N 3.2Å
192L98.2Very high96.8Very high8 Ų861.9 Ų61.94%0.04232%0.317CS..Hα-helixtrans-66.6-45.1177-70.7166.3000111.1Y188 G189 L190 L194 K195 Y196 I235 Y238 I239 F287Y188-L192 WeakPolarHBondContact O-CB 3.29Å; Y188-L192 VanDerWaalsContact O-CG 3.27Å; Y188-L192 WeakPolarHBondContact O-CG 3.33Å; Y188-L192 PolarHBondContact O-N 3.34Å; G189-L192 PolarHBondContact O-N 3.43Å; L190-L192 VanDerWaalsContact C-N 3.3Å; L190-L192 PolarHBondContact O-N 3.23Å; L192-L194 VanDerWaalsContact C-N 3.28Å; L192-L194 PolarHBondContact O-N 3.32Å; L192-K195 WeakPolarHBondContact O-CB 3.4Å; L192-K195 PolarHBondContact O-N 3.41Å; L192-Y196 HydrophobicContact CD2-CE2 4.04Å; L192-Y196 VanDerWaalsContact O-CD2 3.24Å; L192-Y196 WeakPolarHBondContact O-CD2 3.46Å; L192-Y196 PolarHBondContact O-N 3.26Å; L192-I235 HydrophobicContact CD1-CB 4.49Å; L192-I235 HydrophobicContact CD1-CG1 4.1Å; L192-I235 HydrophobicContact CD1-CG2 4.35Å; L192-Y238 HydrophobicContact CD1-CD1 4.14Å; L192-Y238 HydrophobicContact CD2-CD1 4Å; L192-Y238 HydrophobicContact CD2-CE1 3.85Å; L192-I239 HydrophobicContact CD1-CG2 4.05Å; L192-F287 HydrophobicContact CB-CE2 4.44Å; L192-F287 HydrophobicContact CB-CZ 4.33Å; L192-F287 HydrophobicContact CD1-CD2 3.95Å; L192-F287 HydrophobicContact CD1-CE2 3.85Å; L192-F287 HydrophobicContact CD2-CB 4.44Å; L192-F287 HydrophobicContact CD2-CD2 4.19Å; L192-F287 HydrophobicContact CD2-CG 4.19Å
193L98.1Very high97Very high40 Ų4059.9 Ų59.921%0.20930%0.304CS..Hα-helixtrans-61.1-35.5175.9-71.5177.2000112.6G189 L190 Y196 V199 T200 V231G189-L193 WeakPolarHBondContact O-CB 3.19Å; G189-L193 VanDerWaalsContact O-CG 3.29Å; G189-L193 WeakPolarHBondContact O-CG 3.33Å; G189-L193 PolarHBondContact O-N 3.47Å; L190-L193 PolarHBondContact O-N 2.99Å; L193-Y196 CarbonylContact O-C 3.51Å; L193-V199 HydrophobicContact CD2-CG1 4.11Å; L193-T200 VanDerWaalsContact C-OG1 3.29Å; L193-T200 WeakPolarHBondContact CA-OG1 3.37Å; L193-T200 VanDerWaalsContact CB-OG1 3.3Å; L193-T200 WeakPolarHBondContact CB-OG1 3.5Å; L193-T200 PolarHBondContact O-OG1 2.99Å; L193-V231 HydrophobicContact CD2-CG1 4.2Å
194L96.8Very high97.3Very high147 Ų14765.5 Ų65.577%0.7733%0.33SS*.Hα-helixtrans-68.6-34.9172.4-70.7171.9000112.6L190 L191 L192L190-L194 VanDerWaalsContact O-CG 3.29Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 2.83Å; L191-L194 PolarHBondContact O-N 3.4Å; L192-L194 VanDerWaalsContact C-N 3.28Å; L192-L194 PolarHBondContact O-N 3.32Å
195K98.1Very high97.7Very high124 Ų12470.8 Ų70.854%0.53935%0.354SS..Hα-helixtrans-73.7-32.4178.5-174.6-179.4175.3-160.20112.7L191 L192 P197L191-K195 WeakPolarHBondContact O-CB 3.4Å; L191-K195 PolarHBondContact O-N 3.2Å; L192-K195 WeakPolarHBondContact O-CB 3.4Å; L192-K195 PolarHBondContact O-N 3.41Å; K195-P197 VanDerWaalsContact O-CD 3.29Å; K195-P197 WeakPolarHBondContact O-CD 3.19Å
196Y98.3Very high97.8Very high34 Ų3470.6 Ų70.613%0.13335%0.351CS..  trans-118.174.8-176.3-60.6-78.3000110.8L192 L193 E198 V199 T200 F287L192-Y196 HydrophobicContact CD2-CE2 4.04Å; L192-Y196 VanDerWaalsContact O-CD2 3.24Å; L192-Y196 WeakPolarHBondContact O-CD2 3.46Å; L192-Y196 PolarHBondContact O-N 3.26Å; L193-Y196 CarbonylContact O-C 3.51Å; Y196-E198 WeakPolarHBondContact CD1-OE1 3.21Å; Y196-E198 PolarHBondContact O-N 3.41Å; Y196-V199 WeakPolarHBondContact O-CB 2.99Å; Y196-V199 PolarHBondContact O-N 3.08Å; Y196-T200 PolarHBondContact O-N 3.29Å; Y196-T200 VanDerWaalsContact O-N 3.17Å; Y196-F287 HydrophobicContact CD2-CB 4.39Å; Y196-F287 AromaticContact CD2-CD1 3.38Å; Y196-F287 HydrophobicContact CD2-CD1 3.38Å; Y196-F287 AromaticContact CD2-CE1 3.98Å; Y196-F287 HydrophobicContact CD2-CE1 3.98Å; Y196-F287 HydrophobicContact CD2-CG 4.16Å; Y196-F287 HydrophobicContact CE2-CB 3.68Å; Y196-F287 AromaticContact CE2-CD1 3.58Å; Y196-F287 HydrophobicContact CE2-CD1 3.58Å; Y196-F287 AromaticContact CE2-CG 3.9Å; Y196-F287 HydrophobicContact CE2-CG 3.9Å; Y196-F287 AromaticContact CG-CD1 3.97Å; Y196-F287 HydrophobicContact CG-CD1 3.97Å; Y196-F287 HydrophobicContact CG-CE1 4.47Å
197P98.1Very high97.8Very high83 Ų8370.3 Ų70.354%0.53935%0.349SS..Hα-helixtrans-60.8-29.2-175.224.6-34.9000113.6K195 V199 T200 A201K195-P197 VanDerWaalsContact O-CD 3.29Å; K195-P197 WeakPolarHBondContact O-CD 3.19Å; P197-V199 VanDerWaalsContact C-N 3.34Å; P197-T200 WeakPolarHBondContact O-CB 3.27Å; P197-T200 PolarHBondContact O-N 3.17Å; P197-A201 WeakPolarHBondContact O-CB 3.49Å; P197-A201 PolarHBondContact O-N 3.21Å
198E98.2Very high98Very high104 Ų10471.4 Ų71.449%0.48636%0.357SS..Hα-helixtrans-65.8-34.2174.269.2-70.816900112.9Y196 K202Y196-E198 WeakPolarHBondContact CD1-OE1 3.21Å; Y196-E198 PolarHBondContact O-N 3.41Å; E198-K202 WeakPolarHBondContact O-CG 3.25Å; E198-K202 PolarHBondContact O-N 3.28Å
199V98.6Very high98Very high7 Ų771 Ų714%0.04237%0.37CS..Hα-helixtrans-70-44.7173.1176.50000109.4L193 Y196 P197 A201 K202 V203 Y227 V231 F287 P289L193-V199 HydrophobicContact CD2-CG1 4.11Å; Y196-V199 WeakPolarHBondContact O-CB 2.99Å; Y196-V199 PolarHBondContact O-N 3.08Å; P197-V199 VanDerWaalsContact C-N 3.34Å; V199-A201 VanDerWaalsContact C-N 3.35Å; V199-A201 PolarHBondContact O-N 3.32Å; V199-K202 PolarHBondContact O-N 2.66Å; V199-V203 WeakPolarHBondContact O-CG2 3.46Å; V199-V203 PolarHBondContact O-N 2.8Å; V199-Y227 HydrophobicContact CG1-CE1 4.19Å; V199-V231 HydrophobicContact CG1-CG1 4.25Å; V199-V231 HydrophobicContact CG1-CG2 3.59Å; V199-F287 HydrophobicContact CG1-CE1 4.3Å; V199-F287 HydrophobicContact CG2-CE1 4.37Å; V199-P289 HydrophobicContact CG1-CG 3.95Å; V199-P289 HydrophobicContact CG2-CG 4.09Å
200T98.4Very high98Very high30 Ų3072.8 Ų72.818%0.18438%0.38CS..Hα-helixtrans-58.2-44.8176.2-65.10000112.3L193 Y196 P197 K202 V203 Q204L193-T200 VanDerWaalsContact C-OG1 3.29Å; L193-T200 WeakPolarHBondContact CA-OG1 3.37Å; L193-T200 VanDerWaalsContact CB-OG1 3.3Å; L193-T200 WeakPolarHBondContact CB-OG1 3.5Å; L193-T200 PolarHBondContact O-OG1 2.99Å; Y196-T200 PolarHBondContact O-N 3.29Å; Y196-T200 VanDerWaalsContact O-N 3.17Å; P197-T200 WeakPolarHBondContact O-CB 3.27Å; P197-T200 PolarHBondContact O-N 3.17Å; T200-K202 PolarHBondContact O-N 3.2Å; T200-V203 PolarHBondContact O-N 3.5Å; T200-Q204 HydrophobicContact CG2-CG 4.41Å; T200-Q204 WeakPolarHBondContact O-CB 3.44Å; T200-Q204 WeakPolarHBondContact O-CG 3.44Å; T200-Q204 PolarHBondContact O-N 2.89Å
201A98.6Very high98Very high52 Ų5269.9 Ų69.943%0.4337%0.365SS..Hα-helixtrans-59.8-44.7178.700000112P197 V199 Q204 E205P197-A201 WeakPolarHBondContact O-CB 3.49Å; P197-A201 PolarHBondContact O-N 3.21Å; V199-A201 VanDerWaalsContact C-N 3.35Å; V199-A201 PolarHBondContact O-N 3.32Å; A201-Q204 PolarHBondContact O-N 3.31Å; A201-E205 WeakPolarHBondContact O-CB 3.37Å; A201-E205 PolarHBondContact O-N 2.88Å
202K98.4Very high97.9Very high111 Ų11166.2 Ų66.248%0.48335%0.352SS..Hα-helixtrans-66.1-40.3177.6-74.2178.2176-177.90113E198 V199 T200 Q204 E205 E206 Y227E198-K202 WeakPolarHBondContact O-CG 3.25Å; E198-K202 PolarHBondContact O-N 3.28Å; V199-K202 PolarHBondContact O-N 2.66Å; T200-K202 PolarHBondContact O-N 3.2Å; K202-Q204 VanDerWaalsContact C-N 3.34Å; K202-E205 PolarHBondContact O-N 2.93Å; K202-E206 PolarHBondContact O-N 3.33Å; K202-Y227 HydrophobicContact CB-CD1 3.79Å; K202-Y227 HydrophobicContact CB-CE1 3.34Å; K202-Y227 HydrophobicContact CD-CE1 4.02Å; K202-Y227 HydrophobicContact CD-CE2 3.93Å; K202-Y227 WeakPolarHBondContact CD-OH 3.43Å; K202-Y227 HydrophobicContact CG-CE1 4.35Å
203V98.4Very high97.7Very high17 Ų1775.7 Ų75.710%0.10339%0.388CS..Hα-helixtrans-62.6-43.2174.21700000110.6V199 T200 E206 I207 Y227 T228 V231V199-V203 WeakPolarHBondContact O-CG2 3.46Å; V199-V203 PolarHBondContact O-N 2.8Å; T200-V203 PolarHBondContact O-N 3.5Å; V203-E206 PolarHBondContact O-N 2.98Å; V203-I207 HydrophobicContact CG1-CD1 3.69Å; V203-I207 HydrophobicContact CG1-CG1 4.37Å; V203-I207 WeakPolarHBondContact O-CB 3.46Å; V203-I207 VanDerWaalsContact O-CG1 3.23Å; V203-I207 WeakPolarHBondContact O-CG1 3.29Å; V203-I207 PolarHBondContact O-N 2.9Å; V203-Y227 HydrophobicContact CG2-CD1 3.88Å; V203-Y227 HydrophobicContact CG2-CE1 3.91Å; V203-T228 HydrophobicContact CG1-CG2 4.29Å; V203-V231 HydrophobicContact CG2-CB 4.29Å; V203-V231 HydrophobicContact CG2-CG1 4.35Å; V203-V231 HydrophobicContact CG2-CG2 3.83Å
204Q98.3Very high97.5Very high122 Ų12281.7 Ų81.757%0.5742%0.42SS*.Hα-helixtrans-64.3-41.7177.7-73.9177.7-6.700112.5T200 A201 K202 I207 E208T200-Q204 HydrophobicContact CG2-CG 4.41Å; T200-Q204 WeakPolarHBondContact O-CB 3.44Å; T200-Q204 WeakPolarHBondContact O-CG 3.44Å; T200-Q204 PolarHBondContact O-N 2.89Å; A201-Q204 PolarHBondContact O-N 3.31Å; K202-Q204 VanDerWaalsContact C-N 3.34Å; Q204-I207 PolarHBondContact O-N 3.05Å; Q204-E208 WeakPolarHBondContact O-CB 3.48Å; Q204-E208 PolarHBondContact O-N 3.42Å
205E98.4Very high97.3Very high125 Ų12580 Ų8058%0.58440%0.403SS*.Hα-helixtrans-58.9-48.7174-178.2178.6-165.900111A201 K202 I207 E208 C209A201-E205 WeakPolarHBondContact O-CB 3.37Å; A201-E205 PolarHBondContact O-N 2.88Å; K202-E205 PolarHBondContact O-N 2.93Å; E205-I207 PolarHBondContact O-N 3.36Å; E205-E208 PolarHBondContact O-N 2.88Å; E205-C209 PolarHBondContact O-N 3.08Å; E205-C209 PolarHBondContact O-SG 3.25Å; E205-C209 VanDerWaalsContact O-SG 3.36Å
206E98.4Very high97.1Very high29 Ų2975.9 Ų75.914%0.13639%0.39CS..Hα-helixtrans-64-40.4179-166.1-178.8-125.100112.2K202 V203 C209 V210 M225 P226 Y227 T228K202-E206 PolarHBondContact O-N 3.33Å; V203-E206 PolarHBondContact O-N 2.98Å; E206-C209 PolarHBondContact O-N 3.43Å; E206-V210 HydrophobicContact CG-CG2 4.36Å; E206-V210 WeakPolarHBondContact O-CB 3.36Å; E206-V210 WeakPolarHBondContact O-CG2 3.15Å; E206-V210 PolarHBondContact O-N 3.18Å; E206-M225 HydrophobicContact CG-CB 4.22Å; E206-M225 HydrophobicContact CG-CE 4.35Å; E206-M225 HydrophobicContact CG-CG 4.19Å; E206-M225 WeakPolarHBondContact OE1-CA 3.42Å; E206-M225 WeakPolarHBondContact OE2-CB 3.23Å; E206-P226 WeakPolarHBondContact OE1-CD 3.49Å; E206-Y227 WeakPolarHBondContact OE1-CB 3.24Å; E206-Y227 PolarHBondContact OE1-N 3.45Å; E206-T228 WeakPolarHBondContact OE2-CB 3.41Å; E206-T228 PolarHBondContact OE2-N 3.03Å; E206-T228 PolarHBondContact OE2-OG1 3.48Å
207I98.2Very high96.9Very high68 Ų6878.4 Ų78.435%0.34941%0.411SS..Hα-helixtrans-59.2-46.6172.7-71.2164.3000110.7V203 Q204 E205 C209 V211 G212 M225V203-I207 HydrophobicContact CG1-CD1 3.69Å; V203-I207 HydrophobicContact CG1-CG1 4.37Å; V203-I207 WeakPolarHBondContact O-CB 3.46Å; V203-I207 VanDerWaalsContact O-CG1 3.23Å; V203-I207 WeakPolarHBondContact O-CG1 3.29Å; V203-I207 PolarHBondContact O-N 2.9Å; Q204-I207 PolarHBondContact O-N 3.05Å; E205-I207 PolarHBondContact O-N 3.36Å; I207-C209 VanDerWaalsContact C-N 3.34Å; I207-C209 PolarHBondContact O-N 3.26Å; I207-V211 HydrophobicContact CG2-CB 4.39Å; I207-V211 WeakPolarHBondContact O-CA 3.28Å; I207-V211 WeakPolarHBondContact O-CB 3.44Å; I207-V211 PolarHBondContact O-N 3.16Å; I207-G212 PolarHBondContact O-N 2.87Å; I207-M225 HydrophobicContact CB-CE 4.26Å; I207-M225 HydrophobicContact CG1-CE 3.48Å; I207-M225 VanDerWaalsContact CG1-CE 3.48Å
208E97.8Very high96.7Very high102 Ų10276 Ų7648%0.47740%0.396SS..Hα-helixtrans-65.6-37.8-179-173.9156.9-13800112Q204 E205 G212 R213Q204-E208 WeakPolarHBondContact O-CB 3.48Å; Q204-E208 PolarHBondContact O-N 3.42Å; E205-E208 PolarHBondContact O-N 2.88Å; E208-G212 WeakPolarHBondContact O-CA 3.44Å; E208-G212 PolarHBondContact O-N 3.15Å; E208-R213 IonicContact OE1-CZ 3.33Å; E208-R213 VanDerWaalsContact OE1-CZ 3.31Å; E208-R213 IonicContact OE1-NE 3.12Å; E208-R213 PolarHBondContact OE1-NE 3.02Å; E208-R213 IonicContact OE1-NH2 2.67Å; E208-R213 PolarHBondContact OE1-NH2 3.2Å
209C97.6Very high96.4Very high103 Ų10376.4 Ų76.470%0.69640%0.399SS*.Hα-helixtrans-70.5-42.7177.4-71.10000113.7E205 E206 I207E205-C209 PolarHBondContact O-N 3.08Å; E205-C209 PolarHBondContact O-SG 3.25Å; E205-C209 VanDerWaalsContact O-SG 3.36Å; E206-C209 PolarHBondContact O-N 3.43Å; I207-C209 VanDerWaalsContact C-N 3.34Å; I207-C209 PolarHBondContact O-N 3.26Å
210V97.8Very high96.1Very high44 Ų4483.3 Ų83.327%0.26743%0.431SS..Hα-helixtrans-95.1-44.6-170.6179.30000112.4E206 R215 D221 H224 M225E206-V210 HydrophobicContact CG-CG2 4.36Å; E206-V210 WeakPolarHBondContact O-CB 3.36Å; E206-V210 WeakPolarHBondContact O-CG2 3.15Å; E206-V210 PolarHBondContact O-N 3.18Å; V210-R215 PolarHBondContact O-NH2 3.04Å; V210-D221 HydrophobicContact CG1-CB 4.45Å; V210-H224 HydrophobicContact CG1-CB 3.78Å; V210-H224 WeakPolarHBondContact CG2-O 3.35Å; V210-M225 HydrophobicContact CB-CG 3.86Å; V210-M225 HydrophobicContact CB-SD 4.31Å; V210-M225 HydrophobicContact CG1-CG 3.76Å; V210-M225 HydrophobicContact CG1-SD 4.23Å; V210-M225 HydrophobicContact CG2-CG 3.95Å
211V97.1Very high96Very high12 Ų1282.4 Ų82.47%0.07343%0.425CS..THydrogen-bonded Turntrans-93.8-42.4-176.6-171.90000110.7I207 R215 P217 D221 M225I207-V211 HydrophobicContact CG2-CB 4.39Å; I207-V211 WeakPolarHBondContact O-CA 3.28Å; I207-V211 WeakPolarHBondContact O-CB 3.44Å; I207-V211 PolarHBondContact O-N 3.16Å; V211-R215 HydrophobicContact CG1-CG 4.14Å; V211-R215 PolarHBondContact O-NE 2.82Å; V211-P217 HydrophobicContact CG1-CG 4.29Å; V211-D221 HydrophobicContact CG2-CB 4.27Å; V211-M225 HydrophobicContact CG2-CE 4.44Å; V211-M225 HydrophobicContact CG2-SD 3.79Å
212G95.6Very high95.8Very high28 Ų2885.4 Ų85.429%0.28943%0.425SS..  trans69.1-165.8-173.300000112.6I207 E208I207-G212 PolarHBondContact O-N 2.87Å; E208-G212 WeakPolarHBondContact O-CA 3.44Å; E208-G212 PolarHBondContact O-N 3.15Å
213R93.4Very high95.6Very high207 Ų20784.7 Ų84.778%0.78143%0.434SS*.SBendtrans-97.8-10.6-172-59.7-174.6-177.7-149.5-1.4115E208E208-R213 IonicContact OE1-CZ 3.33Å; E208-R213 VanDerWaalsContact OE1-CZ 3.31Å; E208-R213 IonicContact OE1-NE 3.12Å; E208-R213 PolarHBondContact OE1-NE 3.02Å; E208-R213 IonicContact OE1-NH2 2.67Å; E208-R213 PolarHBondContact OE1-NH2 3.2Å
214N92.9Very high95.5Very high167 Ų16789.8 Ų89.889%0.89346%0.456SS*.SBendtrans-101.1-6.1-164.3-63.8-27000114.5
215R93.6Very high95.5Very high110 Ų11084.7 Ų84.742%0.41543%0.433SS..SBendtrans-140.2161.8-178.267.5176.5-17892.5-8.3111.9V210 V211 D221V210-R215 PolarHBondContact O-NH2 3.04Å; V211-R215 HydrophobicContact CG1-CG 4.14Å; V211-R215 PolarHBondContact O-NE 2.82Å; R215-D221 IonicContact CZ-OD1 3.43Å; R215-D221 IonicContact CZ-OD2 3Å; R215-D221 VanDerWaalsContact NH1-CG 3.34Å; R215-D221 IonicContact NH1-OD1 2.73Å; R215-D221 PolarHBondContact NH1-OD1 2.85Å; R215-D221 VanDerWaalsContact NH1-OD1 3.12Å; R215-D221 IonicContact NH1-OD2 2.78Å; R215-D221 PolarHBondContact NH1-OD2 3.13Å; R215-D221 IonicContact NH2-OD1 3.78Å; R215-D221 PolarHBondContact NH2-OD1 3.47Å; R215-D221 IonicContact NH2-OD2 3.31Å
216S92.5Very high95.5Very high38 Ų3880.3 Ų80.327%0.26642%0.415SS..  trans-74.8149.1170.1-57.20000111R30R30-S216 PolarHBondContact NE-OG 3.19Å; R30-S216 PolarHBondContact NH2-OG 2.85Å
217P94.9Very high95.5Very high87 Ų8780.7 Ų80.757%0.56542%0.416SS*.  trans-60.3145.3168.9-21.332.4000111.9Q26 V211 D221Q26-P217 PolarHBondContact NE2-O 3.29Å; V211-P217 HydrophobicContact CG1-CG 4.29Å; P217-D221 WeakPolarHBondContact CA-OD2 3.45Å
218C93.4Very high95.5Very high33 Ų3378.8 Ų78.822%0.22341%0.407CS..  trans-133.5165.7176.270.80000111.4E22 Q220 D221E22-C218 VanDerWaalsContact OE1-CA 3.28Å; E22-C218 WeakPolarHBondContact OE1-CA 3.19Å; E22-C218 WeakPolarHBondContact OE1-CB 3.45Å; C218-Q220 PolarHBondContact O-N 3.29Å; C218-D221 PolarHBondContact N-OD2 2.91Å; C218-D221 VanDerWaalsContact O-CB 3.28Å; C218-D221 WeakPolarHBondContact O-CB 3.38Å; C218-D221 PolarHBondContact O-N 3.05Å; C218-D221 PolarHBondContact SG-OD2 3.09Å
219M91.3Very high95.6Very high112 Ų11274.9 Ų74.955%0.55239%0.39SS*.THydrogen-bonded Turntrans-63.8-23.6-176.8-72.7-56.4-60.400113.1E22 D221 R222E22-M219 HydrophobicContact CB-CG 4.29Å; E22-M219 HydrophobicContact CG-CG 3.96Å; E22-M219 PolarHBondContact OE1-N 2.73Å; M219-D221 VanDerWaalsContact C-N 3.25Å; M219-D221 PolarHBondContact O-N 2.78Å; M219-R222 WeakPolarHBondContact O-CB 3.06Å; M219-R222 PolarHBondContact O-N 2.9Å
220Q93.1Very high95.6Very high152 Ų15270 Ų7071%0.7136%0.356SS*.THydrogen-bonded Turntrans-70.5-22.2175.3-61178.5-0.200112.7C218 R222 S223 H224C218-Q220 PolarHBondContact O-N 3.29Å; Q220-R222 VanDerWaalsContact C-N 3.26Å; Q220-R222 PolarHBondContact O-N 3.38Å; Q220-S223 PolarHBondContact O-OG 3.27Å; Q220-H224 PolarHBondContact O-ND1 2.65Å; Q220-H224 VanDerWaalsContact O-ND1 3.08Å
221D95.4Very high95.7Very high12 Ų1268.1 Ų68.16%0.06435%0.345CS..THydrogen-bonded Turntrans-68.8-30.4178.3-61.6-34.3000111.4V210 V211 R215 P217 C218 M219 S223 H224 M225V210-D221 HydrophobicContact CG1-CB 4.45Å; V211-D221 HydrophobicContact CG2-CB 4.27Å; R215-D221 IonicContact CZ-OD1 3.43Å; R215-D221 IonicContact CZ-OD2 3Å; R215-D221 VanDerWaalsContact NH1-CG 3.34Å; R215-D221 IonicContact NH1-OD1 2.73Å; R215-D221 PolarHBondContact NH1-OD1 2.85Å; R215-D221 VanDerWaalsContact NH1-OD1 3.12Å; R215-D221 IonicContact NH1-OD2 2.78Å; R215-D221 PolarHBondContact NH1-OD2 3.13Å; R215-D221 IonicContact NH2-OD1 3.78Å; R215-D221 PolarHBondContact NH2-OD1 3.47Å; R215-D221 IonicContact NH2-OD2 3.31Å; P217-D221 WeakPolarHBondContact CA-OD2 3.45Å; C218-D221 PolarHBondContact N-OD2 2.91Å; C218-D221 VanDerWaalsContact O-CB 3.28Å; C218-D221 WeakPolarHBondContact O-CB 3.38Å; C218-D221 PolarHBondContact O-N 3.05Å; C218-D221 PolarHBondContact SG-OD2 3.09Å; M219-D221 VanDerWaalsContact C-N 3.25Å; M219-D221 PolarHBondContact O-N 2.78Å; D221-S223 VanDerWaalsContact C-N 3.29Å; D221-S223 PolarHBondContact O-N 3.4Å; D221-H224 CarbonylContact O-C 3.34Å; D221-H224 WeakPolarHBondContact O-CA 3.33Å; D221-H224 WeakPolarHBondContact O-CB 3.39Å; D221-H224 PolarHBondContact O-N 3.35Å; D221-M225 HydrophobicContact CB-SD 3.9Å; D221-M225 WeakPolarHBondContact O-CG 3.39Å; D221-M225 PolarHBondContact O-N 3.43Å
222R94.6Very high95.7Very high115 Ų11570.8 Ų70.843%0.43436%0.361SS..G310 helixtrans-53.1-42.8-175.6-176.5-179.9173.1-179.90.2113.3M219 Q220 H224 M225 D229 H233M219-R222 WeakPolarHBondContact O-CB 3.06Å; M219-R222 PolarHBondContact O-N 2.9Å; Q220-R222 VanDerWaalsContact C-N 3.26Å; Q220-R222 PolarHBondContact O-N 3.38Å; R222-H224 PolarHBondContact O-N 3.04Å; R222-M225 PolarHBondContact O-N 2.75Å; R222-D229 HydrophobicContact CG-CB 4.48Å; R222-D229 IonicContact CZ-OD1 3.19Å; R222-D229 IonicContact CZ-OD2 3.73Å; R222-D229 VanDerWaalsContact NE-CG 3.29Å; R222-D229 IonicContact NE-OD1 3.71Å; R222-D229 PolarHBondContact NE-OD1 2.99Å; R222-D229 VanDerWaalsContact NE-OD1 3.15Å; R222-D229 IonicContact NE-OD2 3.56Å; R222-D229 PolarHBondContact NE-OD2 3.3Å; R222-D229 IonicContact NH2-OD1 2.85Å; R222-D229 PolarHBondContact NH2-OD1 3.44Å; R222-D229 IonicContact NH2-OD2 3.99Å; R222-D229 PolarHBondContact NH2-OD2 2.97Å; R222-D229 VanDerWaalsContact NH2-OD2 3.13Å; R222-H233 PolarHBondContact NH2-CE1 2.96Å; R222-H233 VanDerWaalsContact NH2-CE1 3.28Å
223S94.7Very high95.9Very high96 Ų9670.1 Ų70.167%0.67135%0.351SS*.G310 helixtrans-67.9-15.3179.857.30000113.7Q220 D221Q220-S223 PolarHBondContact O-OG 3.27Å; D221-S223 VanDerWaalsContact C-N 3.29Å; D221-S223 PolarHBondContact O-N 3.4Å
224H97.3Very high96.1Very high123 Ų12360.3 Ų60.357%0.56931%0.314SS*.G310 helixtrans-106.61.2179.9-54.298.1000112.4V210 Q220 D221 R222 P226V210-H224 HydrophobicContact CG1-CB 3.78Å; V210-H224 WeakPolarHBondContact CG2-O 3.35Å; Q220-H224 PolarHBondContact O-ND1 2.65Å; Q220-H224 VanDerWaalsContact O-ND1 3.08Å; D221-H224 CarbonylContact O-C 3.34Å; D221-H224 WeakPolarHBondContact O-CA 3.33Å; D221-H224 WeakPolarHBondContact O-CB 3.39Å; D221-H224 PolarHBondContact O-N 3.35Å; R222-H224 PolarHBondContact O-N 3.04Å; H224-P226 WeakPolarHBondContact O-CD 3.5Å
225M98.1Very high96.4Very high15 Ų1553.1 Ų53.17%0.07428%0.275CS..  trans-124.261-177.8-63.7-178.671.500111.4E206 I207 V210 V211 D221 R222 Y227 T228 D229E206-M225 HydrophobicContact CG-CB 4.22Å; E206-M225 HydrophobicContact CG-CE 4.35Å; E206-M225 HydrophobicContact CG-CG 4.19Å; E206-M225 WeakPolarHBondContact OE1-CA 3.42Å; E206-M225 WeakPolarHBondContact OE2-CB 3.23Å; I207-M225 HydrophobicContact CB-CE 4.26Å; I207-M225 HydrophobicContact CG1-CE 3.48Å; I207-M225 VanDerWaalsContact CG1-CE 3.48Å; V210-M225 HydrophobicContact CB-CG 3.86Å; V210-M225 HydrophobicContact CB-SD 4.31Å; V210-M225 HydrophobicContact CG1-CG 3.76Å; V210-M225 HydrophobicContact CG1-SD 4.23Å; V210-M225 HydrophobicContact CG2-CG 3.95Å; V211-M225 HydrophobicContact CG2-CE 4.44Å; V211-M225 HydrophobicContact CG2-SD 3.79Å; D221-M225 HydrophobicContact CB-SD 3.9Å; D221-M225 WeakPolarHBondContact O-CG 3.39Å; D221-M225 PolarHBondContact O-N 3.43Å; R222-M225 PolarHBondContact O-N 2.75Å; M225-Y227 VanDerWaalsContact C-N 3.27Å; M225-Y227 PolarHBondContact O-N 3.3Å; M225-T228 HydrophobicContact CE-CG2 4.23Å; M225-T228 WeakPolarHBondContact CE-OG1 3.4Å; M225-T228 PolarHBondContact O-N 2.88Å; M225-D229 PolarHBondContact O-N 2.88Å
226P98.3Very high96.6Very high33 Ų3349.3 Ų49.321%0.21426%0.262CS..Hα-helixtrans-60-33.7-174.525.5-35.9000113.5E206 H224 A230 F299E206-P226 WeakPolarHBondContact OE1-CD 3.49Å; H224-P226 WeakPolarHBondContact O-CD 3.5Å; P226-A230 WeakPolarHBondContact O-CB 3.46Å; P226-A230 PolarHBondContact O-N 3.12Å; P226-F299 HydrophobicContact CB-CB 4.04Å
227Y98.7Very high96.9Very high37 Ų3747.5 Ų47.515%0.14525%0.25CC..Hα-helixtrans-71.5-44.3-179.4-169.9-97.8000111.3V199 K202 V203 E206 M225 A230 V231 P289 L293V199-Y227 HydrophobicContact CG1-CE1 4.19Å; K202-Y227 HydrophobicContact CB-CD1 3.79Å; K202-Y227 HydrophobicContact CB-CE1 3.34Å; K202-Y227 HydrophobicContact CD-CE1 4.02Å; K202-Y227 HydrophobicContact CD-CE2 3.93Å; K202-Y227 WeakPolarHBondContact CD-OH 3.43Å; K202-Y227 HydrophobicContact CG-CE1 4.35Å; V203-Y227 HydrophobicContact CG2-CD1 3.88Å; V203-Y227 HydrophobicContact CG2-CE1 3.91Å; E206-Y227 WeakPolarHBondContact OE1-CB 3.24Å; E206-Y227 PolarHBondContact OE1-N 3.45Å; M225-Y227 VanDerWaalsContact C-N 3.27Å; M225-Y227 PolarHBondContact O-N 3.3Å; Y227-A230 WeakPolarHBondContact O-CB 3.11Å; Y227-A230 PolarHBondContact O-N 3.35Å; Y227-V231 HydrophobicContact CD1-CG2 4.06Å; Y227-V231 HydrophobicContact CE1-CG2 3.76Å; Y227-V231 VanDerWaalsContact O-CG2 3.32Å; Y227-V231 WeakPolarHBondContact O-CG2 3.48Å; Y227-V231 PolarHBondContact O-N 2.89Å; Y227-P289 HydrophobicContact CE2-CB 4.2Å; Y227-L293 HydrophobicContact CD2-CD1 3.74Å; Y227-L293 HydrophobicContact CE2-CD1 4.06Å
228T98.4Very high97Very high29 Ų2946.4 Ų46.418%0.17824%0.235CC..Hα-helixtrans-64.3-40.3175.9-580000111.2V203 E206 M225 A230 V231 V232V203-T228 HydrophobicContact CG1-CG2 4.29Å; E206-T228 WeakPolarHBondContact OE2-CB 3.41Å; E206-T228 PolarHBondContact OE2-N 3.03Å; E206-T228 PolarHBondContact OE2-OG1 3.48Å; M225-T228 HydrophobicContact CE-CG2 4.23Å; M225-T228 WeakPolarHBondContact CE-OG1 3.4Å; M225-T228 PolarHBondContact O-N 2.88Å; T228-A230 VanDerWaalsContact C-N 3.34Å; T228-A230 PolarHBondContact O-N 3.06Å; T228-V231 PolarHBondContact O-N 3.4Å; T228-V232 WeakPolarHBondContact O-CG2 3.26Å; T228-V232 PolarHBondContact O-N 2.81Å
229D98.4Very high97.1Very high19 Ų1946.1 Ų46.110%0.10223%0.231CC..Hα-helixtrans-62.4-42.8174.8-158.59.6000110.9R222 M225 V231 V232 H233 F299R222-D229 HydrophobicContact CG-CB 4.48Å; R222-D229 IonicContact CZ-OD1 3.19Å; R222-D229 IonicContact CZ-OD2 3.73Å; R222-D229 VanDerWaalsContact NE-CG 3.29Å; R222-D229 IonicContact NE-OD1 3.71Å; R222-D229 PolarHBondContact NE-OD1 2.99Å; R222-D229 VanDerWaalsContact NE-OD1 3.15Å; R222-D229 IonicContact NE-OD2 3.56Å; R222-D229 PolarHBondContact NE-OD2 3.3Å; R222-D229 IonicContact NH2-OD1 2.85Å; R222-D229 PolarHBondContact NH2-OD1 3.44Å; R222-D229 IonicContact NH2-OD2 3.99Å; R222-D229 PolarHBondContact NH2-OD2 2.97Å; R222-D229 VanDerWaalsContact NH2-OD2 3.13Å; M225-D229 PolarHBondContact O-N 2.88Å; D229-V231 PolarHBondContact O-N 3.36Å; D229-V232 PolarHBondContact O-N 3.31Å; D229-H233 PolarHBondContact O-N 2.93Å; D229-H233 PolarHBondContact O-ND1 3.48Å; D229-H233 IonicContact OD1-CE1 3.48Å; D229-H233 PolarHBondContact OD1-CE1 2.95Å; D229-H233 IonicContact OD1-ND1 2.65Å; D229-H233 PolarHBondContact OD1-ND1 3.49Å; D229-F299 HydrophobicContact CB-CD2 3.9Å; D229-F299 HydrophobicContact CB-CE2 4.28Å; D229-F299 HydrophobicContact CB-CG 4.31Å
230A98.6Very high97.3Very high0 Ų041.6 Ų41.60%021%0.209CC..Hα-helixtrans-61.3-43.3174.800000112.7P226 Y227 T228 V232 H233 E234 F292 L293 F299P226-A230 WeakPolarHBondContact O-CB 3.46Å; P226-A230 PolarHBondContact O-N 3.12Å; Y227-A230 WeakPolarHBondContact O-CB 3.11Å; Y227-A230 PolarHBondContact O-N 3.35Å; T228-A230 VanDerWaalsContact C-N 3.34Å; T228-A230 PolarHBondContact O-N 3.06Å; A230-V232 PolarHBondContact O-N 3.13Å; A230-H233 PolarHBondContact O-N 2.92Å; A230-E234 WeakPolarHBondContact O-CB 3.17Å; A230-E234 PolarHBondContact O-N 2.95Å; A230-F292 HydrophobicContact CB-CB 3.74Å; A230-L293 HydrophobicContact CB-CD1 4.31Å; A230-L293 HydrophobicContact CB-CD2 3.67Å; A230-L293 HydrophobicContact CB-CG 3.72Å; A230-F299 HydrophobicContact CB-CD2 4.29Å
231V98.7Very high97.1Very high5 Ų537 Ų373%0.0319%0.189CC..Hα-helixtrans-61.6-43.7175.8170.10000111.4L193 V199 V203 Y227 T228 D229 H233 E234 I235 F287 P289L193-V231 HydrophobicContact CD2-CG1 4.2Å; V199-V231 HydrophobicContact CG1-CG1 4.25Å; V199-V231 HydrophobicContact CG1-CG2 3.59Å; V203-V231 HydrophobicContact CG2-CB 4.29Å; V203-V231 HydrophobicContact CG2-CG1 4.35Å; V203-V231 HydrophobicContact CG2-CG2 3.83Å; Y227-V231 HydrophobicContact CD1-CG2 4.06Å; Y227-V231 HydrophobicContact CE1-CG2 3.76Å; Y227-V231 VanDerWaalsContact O-CG2 3.32Å; Y227-V231 WeakPolarHBondContact O-CG2 3.48Å; Y227-V231 PolarHBondContact O-N 2.89Å; T228-V231 PolarHBondContact O-N 3.4Å; D229-V231 PolarHBondContact O-N 3.36Å; V231-H233 VanDerWaalsContact C-N 3.32Å; V231-H233 PolarHBondContact O-N 3.49Å; V231-E234 PolarHBondContact O-N 2.84Å; V231-I235 HydrophobicContact CG1-CD1 3.88Å; V231-I235 HydrophobicContact CG1-CG1 4.42Å; V231-I235 VanDerWaalsContact O-CG1 3.26Å; V231-I235 WeakPolarHBondContact O-CG1 3.05Å; V231-I235 PolarHBondContact O-N 3.24Å; V231-F287 HydrophobicContact CG1-CZ 4.45Å; V231-P289 HydrophobicContact CG2-CB 3.81Å; V231-P289 HydrophobicContact CG2-CG 3.65Å
232V98.4Very high96.8Very high68 Ų6839 Ų3941%0.41220%0.199SC..Hα-helixtrans-63.5-38.1177.9170.10000111.7T228 D229 A230 Q236T228-V232 WeakPolarHBondContact O-CG2 3.26Å; T228-V232 PolarHBondContact O-N 2.81Å; D229-V232 PolarHBondContact O-N 3.31Å; A230-V232 PolarHBondContact O-N 3.13Å; V232-Q236 PolarHBondContact O-N 3.39Å; V232-Q236 PolarHBondContact O-NE2 2.85Å
233H98.5Very high96.5Very high15 Ų1536.1 Ų36.17%0.06920%0.195CC..Hα-helixtrans-68.2-44.3174-75.166.5000111.3R222 D229 A230 V231 I235 Q236 R237 F292 F299 F305R222-H233 PolarHBondContact NH2-CE1 2.96Å; R222-H233 VanDerWaalsContact NH2-CE1 3.28Å; D229-H233 PolarHBondContact O-N 2.93Å; D229-H233 PolarHBondContact O-ND1 3.48Å; D229-H233 IonicContact OD1-CE1 3.48Å; D229-H233 PolarHBondContact OD1-CE1 2.95Å; D229-H233 IonicContact OD1-ND1 2.65Å; D229-H233 PolarHBondContact OD1-ND1 3.49Å; A230-H233 PolarHBondContact O-N 2.92Å; V231-H233 VanDerWaalsContact C-N 3.32Å; V231-H233 PolarHBondContact O-N 3.49Å; H233-I235 VanDerWaalsContact C-N 3.34Å; H233-I235 PolarHBondContact O-N 3.3Å; H233-Q236 PolarHBondContact O-N 2.94Å; H233-R237 PolarHBondContact O-N 3.48Å; H233-F292 HydrophobicContact CB-CB 4.36Å; H233-F292 HydrophobicContact CB-CD1 3.8Å; H233-F292 HydrophobicContact CB-CD2 3.64Å; H233-F292 HydrophobicContact CB-CE1 3.96Å; H233-F292 HydrophobicContact CB-CE2 3.8Å; H233-F292 HydrophobicContact CB-CG 3.64Å; H233-F292 HydrophobicContact CB-CZ 3.97Å; H233-F299 HydrophobicContact CB-CE2 4.4Å; H233-F299 AromaticContact CD2-CZ 3.73Å; H233-F299 AromaticContact CE1-CE2 3.81Å; H233-F299 AromaticContact CE1-CZ 3.5Å; H233-F299 VanDerWaalsContact CE1-CZ 3.5Å; H233-F299 WeakPolarHBondContact CE1-CZ 3.35Å; H233-F299 AromaticContact CG-CE2 3.74Å; H233-F299 AromaticContact CG-CZ 3.87Å; H233-F299 AromaticContact ND1-CE2 3.53Å; H233-F299 AromaticContact ND1-CZ 3.7Å; H233-F299 AromaticContact NE2-CZ 3.52Å; H233-F305 HydrophobicContact CB-CE2 4.08Å; H233-F305 HydrophobicContact CB-CZ 4.15Å; H233-F305 AromaticContact CD2-CD1 3.48Å; H233-F305 VanDerWaalsContact CD2-CD1 3.48Å; H233-F305 WeakPolarHBondContact CD2-CD1 3.2Å; H233-F305 AromaticContact CD2-CE1 3.22Å; H233-F305 WeakPolarHBondContact CD2-CE1 3.26Å; H233-F305 AromaticContact CD2-CG 3.97Å; H233-F305 AromaticContact CD2-CZ 3.51Å; H233-F305 AromaticContact CG-CZ 4Å; H233-F305 AromaticContact NE2-CE1 3.66Å; H233-F305 VanDerWaalsContact O-CE2 3.24Å; H233-F305 WeakPolarHBondContact O-CE2 3.47Å
234E98.6Very high96.2Very high0 Ų035.6 Ų35.60%019%0.188CC..Hα-helixtrans-65.4-37.2-179-175.464.1-177.100112.2A230 V231 Q236 R237 Y238 F287 D288 H291 F292A230-E234 WeakPolarHBondContact O-CB 3.17Å; A230-E234 PolarHBondContact O-N 2.95Å; V231-E234 PolarHBondContact O-N 2.84Å; E234-Q236 VanDerWaalsContact C-N 3.33Å; E234-Q236 PolarHBondContact O-N 3.29Å; E234-R237 PolarHBondContact O-N 3.29Å; E234-R237 IonicContact OE1-CZ 2.83Å; E234-R237 IonicContact OE1-NE 3.15Å; E234-R237 PolarHBondContact OE1-NE 3.01Å; E234-R237 IonicContact OE1-NH2 3.45Å; E234-R237 PolarHBondContact OE1-NH2 3.43Å; E234-R237 IonicContact OE2-CZ 3.13Å; E234-R237 IonicContact OE2-NE 3.06Å; E234-R237 PolarHBondContact OE2-NE 3.38Å; E234-R237 IonicContact OE2-NH2 3.01Å; E234-Y238 WeakPolarHBondContact O-CB 3.47Å; E234-Y238 PolarHBondContact O-N 2.59Å; E234-F287 HydrophobicContact CB-CE2 4.03Å; E234-F287 HydrophobicContact CG-CD2 3.59Å; E234-F287 HydrophobicContact CG-CE2 3.55Å; E234-F287 HydrophobicContact CG-CG 4.31Å; E234-F287 HydrophobicContact CG-CZ 4.26Å; E234-D288 WeakPolarHBondContact CG-O 3.29Å; E234-D288 PolarHBondContact OE1-N 3.18Å; E234-H291 VanDerWaalsContact CD-ND1 3.3Å; E234-H291 IonicContact OE1-CE1 3.81Å; E234-H291 IonicContact OE1-CG 2.71Å; E234-H291 IonicContact OE1-ND1 3.44Å; E234-H291 PolarHBondContact OE1-ND1 3.32Å; E234-H291 IonicContact OE2-CG 3.16Å; E234-H291 IonicContact OE2-ND1 3.18Å; E234-H291 PolarHBondContact OE2-ND1 2.93Å; E234-F292 HydrophobicContact CB-CD2 4.07Å; E234-F292 HydrophobicContact CB-CE2 4.3Å; E234-F292 VanDerWaalsContact OE2-CE2 3.29Å; E234-F292 WeakPolarHBondContact OE2-CE2 3.33Å
235I98.6Very high95.6Very high16 Ų1630.1 Ų30.18%0.08216%0.163CC..Hα-helixtrans-56-50.4172.6-71.8162.6000109.7T185 L192 V231 H233 I239 F287T185-I235 HydrophobicContact CG2-CG2 4.09Å; L192-I235 HydrophobicContact CD1-CB 4.49Å; L192-I235 HydrophobicContact CD1-CG1 4.1Å; L192-I235 HydrophobicContact CD1-CG2 4.35Å; V231-I235 HydrophobicContact CG1-CD1 3.88Å; V231-I235 HydrophobicContact CG1-CG1 4.42Å; V231-I235 VanDerWaalsContact O-CG1 3.26Å; V231-I235 WeakPolarHBondContact O-CG1 3.05Å; V231-I235 PolarHBondContact O-N 3.24Å; H233-I235 VanDerWaalsContact C-N 3.34Å; H233-I235 PolarHBondContact O-N 3.3Å; I235-I239 HydrophobicContact CG2-CG2 4.46Å; I235-I239 VanDerWaalsContact O-CG1 3.26Å; I235-I239 WeakPolarHBondContact O-CG1 3.5Å; I235-I239 WeakPolarHBondContact O-CG2 3.2Å; I235-I239 PolarHBondContact O-N 3.4Å; I235-F287 HydrophobicContact CG1-CE2 3.8Å; I235-F287 HydrophobicContact CG1-CZ 3.99Å
236Q98.1Very high95Very high31 Ų3131.1 Ų31.115%0.14517%0.168CC..Hα-helixtrans-67.4-39-178.3-72168.779.600112.9T185 V232 H233 E234 D240 F305 P307T185-Q236 HydrophobicContact CG2-CG 3.93Å; V232-Q236 PolarHBondContact O-N 3.39Å; V232-Q236 PolarHBondContact O-NE2 2.85Å; H233-Q236 PolarHBondContact O-N 2.94Å; E234-Q236 VanDerWaalsContact C-N 3.33Å; E234-Q236 PolarHBondContact O-N 3.29Å; Q236-D240 PolarHBondContact O-N 3.46Å; Q236-F305 HydrophobicContact CB-CE2 3.87Å; Q236-F305 HydrophobicContact CB-CZ 3.9Å; Q236-P307 HydrophobicContact CB-CB 4.39Å; Q236-P307 HydrophobicContact CB-CG 4.25Å
237R98.2Very high94.3Very high0 Ų031.6 Ų31.60%017%0.172CC..Hα-helixtrans-64.1-49.6176.8-173.3-152.165.676.8-3.1110.9H233 E234 D240 L275 F281 P284 M286 F292 F305H233-R237 PolarHBondContact O-N 3.48Å; E234-R237 PolarHBondContact O-N 3.29Å; E234-R237 IonicContact OE1-CZ 2.83Å; E234-R237 IonicContact OE1-NE 3.15Å; E234-R237 PolarHBondContact OE1-NE 3.01Å; E234-R237 IonicContact OE1-NH2 3.45Å; E234-R237 PolarHBondContact OE1-NH2 3.43Å; E234-R237 IonicContact OE2-CZ 3.13Å; E234-R237 IonicContact OE2-NE 3.06Å; E234-R237 PolarHBondContact OE2-NE 3.38Å; E234-R237 IonicContact OE2-NH2 3.01Å; R237-D240 PolarHBondContact O-N 3Å; R237-L275 WeakPolarHBondContact CD-O 3.43Å; R237-L275 HydrophobicContact CG-CB 4.15Å; R237-L275 HydrophobicContact CG-CD2 4.19Å; R237-L275 VanDerWaalsContact CG-O 3.3Å; R237-L275 WeakPolarHBondContact CG-O 3.32Å; R237-L275 PolarHBondContact NH1-O 3.43Å; R237-F281 HydrophobicContact CG-CE2 4.36Å; R237-F281 HydrophobicContact CG-CZ 4.47Å; R237-P284 VanDerWaalsContact CZ-O 3.32Å; R237-P284 PolarHBondContact NH1-O 3.41Å; R237-P284 PolarHBondContact NH2-O 3.33Å; R237-M286 PolarHBondContact NH2-O 3.5Å; R237-M286 VanDerWaalsContact NH2-O 3.09Å; R237-F292 HydrophobicContact CB-CE2 3.99Å; R237-F292 HydrophobicContact CB-CZ 4.13Å; R237-F292 HydrophobicContact CG-CE2 4.44Å; R237-F292 HydrophobicContact CG-CZ 4.38Å; R237-F305 HydrophobicContact CB-CD2 4.37Å; R237-F305 HydrophobicContact CB-CE2 4.4Å
238Y97.8Very high93.7Very high64 Ų6430.6 Ų30.625%0.25117%0.168SC..Hα-helixtrans-69.1-41-173.5-178.6-89.2000112.8L192 E234 D240 E285 F287L192-Y238 HydrophobicContact CD1-CD1 4.14Å; L192-Y238 HydrophobicContact CD2-CD1 4Å; L192-Y238 HydrophobicContact CD2-CE1 3.85Å; E234-Y238 WeakPolarHBondContact O-CB 3.47Å; E234-Y238 PolarHBondContact O-N 2.59Å; Y238-D240 VanDerWaalsContact C-N 3.26Å; Y238-D240 PolarHBondContact O-N 2.92Å; Y238-E285 WeakPolarHBondContact CE2-O 3.48Å; Y238-F287 HydrophobicContact CD1-CD2 4.38Å; Y238-F287 HydrophobicContact CD2-CB 3.73Å; Y238-F287 HydrophobicContact CD2-CD2 4.34Å; Y238-F287 HydrophobicContact CE2-CB 3.78Å; Y238-F287 VanDerWaalsContact CE2-N 3.3Å; Y238-F287 HydrophobicContact CG-CB 4.13Å; Y238-F287 AromaticContact CG-CD2 3.97Å; Y238-F287 HydrophobicContact CG-CD2 3.97Å
239I96.1Very high93.2Very high27 Ų2730 Ų3014%0.13817%0.166CC..Hα-helixtrans-73.5-22.6-178.371178.8000112.6T185 Y188 L192 I235 L241T185-I239 HydrophobicContact CG2-CD1 3.9Å; Y188-I239 HydrophobicContact CD1-CG2 3.87Å; Y188-I239 HydrophobicContact CG-CB 4.45Å; Y188-I239 HydrophobicContact CG-CG2 3.77Å; L192-I239 HydrophobicContact CD1-CG2 4.05Å; I235-I239 HydrophobicContact CG2-CG2 4.46Å; I235-I239 VanDerWaalsContact O-CG1 3.26Å; I235-I239 WeakPolarHBondContact O-CG1 3.5Å; I235-I239 WeakPolarHBondContact O-CG2 3.2Å; I235-I239 PolarHBondContact O-N 3.4Å; I239-L241 VanDerWaalsContact C-N 3.33Å; I239-L241 HydrophobicContact CD1-CB 4.18Å; I239-L241 HydrophobicContact CG1-CB 4.25Å; I239-L241 PolarHBondContact O-N 3.18Å
240D94.3Very high92.7Very high17 Ų1729.1 Ų29.19%0.09116%0.162CC..  trans37.861.4-179-175.222.3000112.6Q236 R237 Y238 L242 P243 T272 L275Q236-D240 PolarHBondContact O-N 3.46Å; R237-D240 PolarHBondContact O-N 3Å; Y238-D240 VanDerWaalsContact C-N 3.26Å; Y238-D240 PolarHBondContact O-N 2.92Å; D240-L242 PolarHBondContact O-N 3.07Å; D240-L242 VanDerWaalsContact O-N 3.1Å; D240-P243 WeakPolarHBondContact O-CD 3.35Å; D240-P243 WeakPolarHBondContact OD1-CA 3.32Å; D240-P243 WeakPolarHBondContact OD2-CB 3.44Å; D240-T272 WeakPolarHBondContact OD2-CA 3.47Å; D240-T272 WeakPolarHBondContact OD2-CB 3.19Å; D240-T272 VanDerWaalsContact OD2-CG2 3.3Å; D240-T272 WeakPolarHBondContact OD2-CG2 3.38Å; D240-T272 PolarHBondContact OD2-OG1 3.44Å; D240-L275 HydrophobicContact CB-CD1 4.37Å; D240-L275 WeakPolarHBondContact OD1-CD1 3.24Å
241L90.3Very high92.2Very high56 Ų5632.2 Ų32.229%0.29318%0.181SC..SBendtrans-60.1-29.7-163.6-174.262.5000113.7T181 T184 I239T181-L241 HydrophobicContact CG2-CD2 4.43Å; T184-L241 HydrophobicContact CG2-CD1 3.59Å; I239-L241 VanDerWaalsContact C-N 3.33Å; I239-L241 HydrophobicContact CD1-CB 4.18Å; I239-L241 HydrophobicContact CG1-CB 4.25Å; I239-L241 PolarHBondContact O-N 3.18Å
242L88.3Confident91.9Very high54 Ų5434.1 Ų34.128%0.28319%0.193SC..SBendtrans-126.670.6-179.7-68.1177.8000110.6D240 T244 N245 L271 I334D240-L242 PolarHBondContact O-N 3.07Å; D240-L242 VanDerWaalsContact O-N 3.1Å; L242-T244 VanDerWaalsContact C-N 3.28Å; L242-T244 PolarHBondContact O-N 3.28Å; L242-T244 VanDerWaalsContact O-N 3.15Å; L242-N245 PolarHBondContact O-N 3.12Å; L242-L271 WeakPolarHBondContact O-CD1 3.31Å; L242-I334 HydrophobicContact CD1-CD1 3.62Å
243P89Confident91.6Very high53 Ų5335.6 Ų35.634%0.34420%0.199SC..THydrogen-bonded Turntrans-61.9-33.6-164.722.9-33.1000113.9D240 S270 L271 T272D240-P243 WeakPolarHBondContact O-CD 3.35Å; D240-P243 WeakPolarHBondContact OD1-CA 3.32Å; D240-P243 WeakPolarHBondContact OD2-CB 3.44Å; P243-S270 CarbonylContact O-C 3.5Å; P243-L271 PolarHBondContact O-N 3.13Å; P243-T272 VanDerWaalsContact CA-OG1 3.27Å; P243-T272 WeakPolarHBondContact CA-OG1 3.47Å; P243-T272 WeakPolarHBondContact CB-OG1 3.35Å; P243-T272 PolarHBondContact O-N 3.43Å; P243-T272 PolarHBondContact O-OG1 3.34Å
244T87.9Confident91.4Very high86 Ų8635.3 Ų35.353%0.52820%0.198SC..THydrogen-bonded Turntrans-98.79.1-179.156.20000114L242 I268 T269L242-T244 VanDerWaalsContact C-N 3.28Å; L242-T244 PolarHBondContact O-N 3.28Å; L242-T244 VanDerWaalsContact O-N 3.15Å; T244-I268 VanDerWaalsContact O-CG2 3.24Å; T244-I268 WeakPolarHBondContact O-CG2 3.45Å; T244-T269 CarbonylContact C-O 3.53Å
245N85.4Confident91.1Very high7 Ų743.1 Ų43.14%0.03723%0.232CC..  trans54.1-176-170-150.8-14.6000112.5L242 T269 L271 S309L242-N245 PolarHBondContact O-N 3.12Å; N245-T269 VanDerWaalsContact CB-O 3.27Å; N245-T269 WeakPolarHBondContact CB-O 3.34Å; N245-T269 WeakPolarHBondContact CB-OG1 3.36Å; N245-T269 PolarHBondContact N-O 2.92Å; N245-T269 PolarHBondContact ND2-OG1 3.02Å; N245-L271 HydrophobicContact CB-CD1 4.19Å; N245-L271 HydrophobicContact CB-CD2 4.37Å; N245-L271 HydrophobicContact CB-CG 3.93Å; N245-S309 WeakPolarHBondContact ND2-CB 3.44Å; N245-S309 PolarHBondContact ND2-OG 2.65Å
246L84.4Confident90.8Very high36 Ų3646.5 Ų46.519%0.18825%0.246CC..  trans-80.9144.7163.9-64.3-178.3000110.3H248 F323 W333 I334L246-H248 PolarHBondContact O-CD2 3.39Å; L246-H248 PolarHBondContact O-N 3.31Å; L246-H248 PolarHBondContact O-NE2 2.99Å; L246-F323 HydrophobicContact CD2-CD2 4.08Å; L246-F323 HydrophobicContact CD2-CE2 4.02Å; L246-W333 WeakPolarHBondContact CD1-O 3.24Å; L246-I334 HydrophobicContact CD1-CB 4.39Å; L246-I334 HydrophobicContact CD1-CD1 3.87Å; L246-I334 HydrophobicContact CD1-CG1 4.39Å; L246-I334 HydrophobicContact CG-CD1 4.17Å
247P84.3Confident90.4Very high44 Ų4452.4 Ų52.429%0.28627%0.272SS..  trans-58.4138.4174.3-22.833.3000111.1T266 S321 V322P247-T266 HydrophobicContact CB-CG2 3.95Å; P247-S321 CarbonylContact O-C 3.53Å; P247-S321 WeakPolarHBondContact O-CA 3.46Å; P247-V322 PolarHBondContact O-N 2.93Å
248H85.9Confident90.3Very high15 Ų1559.8 Ų59.87%0.06931%0.311CS..EExtended strand (participates in β ladder)trans-113165.2167.9-63.4-85.9000110.3L246 T266 I267 L312 V319 H320 S321L246-H248 PolarHBondContact O-CD2 3.39Å; L246-H248 PolarHBondContact O-N 3.31Å; L246-H248 PolarHBondContact O-NE2 2.99Å; H248-T266 CarbonylContact O-C 3.09Å; H248-T266 WeakPolarHBondContact O-CA 3.28Å; H248-T266 WeakPolarHBondContact O-CG2 3.27Å; H248-I267 HydrophobicContact CB-CB 4.38Å; H248-I267 PolarHBondContact N-O 3.03Å; H248-I267 PolarHBondContact O-N 3.42Å; H248-L312 VanDerWaalsContact CD2-CD1 3.47Å; H248-L312 WeakPolarHBondContact CD2-CD1 3.3Å; H248-L312 WeakPolarHBondContact NE2-CD1 3.27Å; H248-V319 HydrophobicContact CB-CG1 3.5Å; H248-H320 CarbonylContact C-O 3.54Å; H248-H320 WeakPolarHBondContact CA-O 3.46Å; H248-H320 WeakPolarHBondContact CB-O 3.47Å; H248-S321 WeakPolarHBondContact ND1-CA 3.38Å; H248-S321 PolarHBondContact ND1-N 3.04Å
249A87.1Confident90.1Very high16 Ų1664.5 Ų64.513%0.13233%0.33CS..EExtended strand (participates in β ladder)trans-135.2146167.500000110.9T265 H320 V322A249-T265 WeakPolarHBondContact CA-O 3.29Å; A249-H320 PolarHBondContact N-O 3.27Å; A249-H320 PolarHBondContact O-N 3.41Å; A249-V322 HydrophobicContact CB-CG2 3.47Å; A249-V322 VanDerWaalsContact CB-CG2 3.47Å
250V88.1Confident90.1Very high2 Ų268.8 Ų68.81%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-77.2130.2172.2-67.20000110.5V254 I261 P262 G264 T265 I267 C318 V319V250-V254 HydrophobicContact CB-CG2 4.34Å; V250-V254 HydrophobicContact CG1-CB 4.4Å; V250-V254 HydrophobicContact CG1-CG2 4.16Å; V250-I261 HydrophobicContact CG1-CG2 4.03Å; V250-I261 HydrophobicContact CG2-CG2 3.76Å; V250-P262 WeakPolarHBondContact CG2-O 3.12Å; V250-G264 PolarHBondContact O-N 2.89Å; V250-T265 PolarHBondContact N-O 3.48Å; V250-T265 VanDerWaalsContact N-O 3.13Å; V250-I267 HydrophobicContact CG1-CG1 4.14Å; V250-C318 CarbonylContact C-O 3.48Å; V250-C318 VanDerWaalsContact CA-O 3.23Å; V250-C318 WeakPolarHBondContact CA-O 3.41Å; V250-V319 HydrophobicContact CG1-CG2 3.92Å
251T88.9Confident90.2Very high65 Ų6569.1 Ų69.140%0.39935%0.354SS..SBendtrans-88.8-9.7-17958.20000113.1K263 C318 H320T251-K263 WeakPolarHBondContact O-CD 3.4Å; T251-K263 VanDerWaalsContact O-CE 3.26Å; T251-K263 WeakPolarHBondContact O-CE 3.27Å; T251-K263 WeakPolarHBondContact O-CG 3.5Å; T251-C318 PolarHBondContact N-O 3.15Å; T251-C318 WeakPolarHBondContact OG1-CA 3.29Å; T251-C318 PolarHBondContact OG1-O 3.27Å; T251-C318 VanDerWaalsContact OG1-O 3.11Å; T251-H320 HydrophobicContact CG2-CB 4.24Å; T251-H320 WeakPolarHBondContact CG2-ND1 3.26Å
252C90.9Very high90.4Very high44 Ų4469.6 Ų69.630%0.29736%0.36SS..SBendtrans-143.8164.9177.1780000109.2V254 C318C252-V254 WeakPolarHBondContact O-CG2 3.48Å; C252-V254 PolarHBondContact O-N 3.39Å; C252-C318 HydrophobicContact CB-CB 4.12Å; C252-C318 WeakPolarHBondContact CB-SG 3.06Å; C252-C318 WeakPolarHBondContact SG-CB 3.3Å; C252-C318 CovalentContact SG-SG 2.06Å; C252-C318 PolarHBondContact SG-SG 3.36Å
253D93.4Very high90.7Very high100 Ų10074 Ų7454%0.53538%0.377SS..  trans-63.9130.1169.2-75.99000109.4L260 I261 P262 K263D253-L260 HydrophobicContact CB-CD1 4.23Å; D253-I261 WeakPolarHBondContact CA-O 3.37Å; D253-P262 WeakPolarHBondContact OD1-CA 3.46Å; D253-K263 WeakPolarHBondContact OD1-CB 3.23Å; D253-K263 PolarHBondContact OD1-N 3.49Å
254V93.1Very high90.7Very high9 Ų973.9 Ų73.96%0.05539%0.385CS..EExtended strand (participates in β ladder)trans-127.1125.8-172.2165.60000109.8V250 C252 I261 W316 C318V250-V254 HydrophobicContact CB-CG2 4.34Å; V250-V254 HydrophobicContact CG1-CB 4.4Å; V250-V254 HydrophobicContact CG1-CG2 4.16Å; C252-V254 WeakPolarHBondContact O-CG2 3.48Å; C252-V254 PolarHBondContact O-N 3.39Å; V254-I261 HydrophobicContact CB-CB 4.39Å; V254-I261 PolarHBondContact N-O 2.97Å; V254-I261 PolarHBondContact O-N 2.95Å; V254-W316 HydrophobicContact CG1-CD2 4.42Å; V254-W316 HydrophobicContact CG1-CH2 4.49Å; V254-W316 HydrophobicContact CG1-CZ2 3.38Å; V254-C318 HydrophobicContact CG2-CB 3.84Å
255K93.9Very high90.8Very high164 Ų16472.2 Ų72.271%0.71338%0.375SS*.EExtended strand (participates in β ladder)trans-83115.7167.3-169.1175.8-179.7179.50109.5Y259K255-Y259 CarbonylContact C-O 3.49Å; K255-Y259 WeakPolarHBondContact CA-O 3.27Å
256F90.6Very high91Very high86 Ų8675.9 Ų75.938%0.37740%0.398SS..EExtended strand (participates in β ladder)trans-114.6116.1172.4-171.1-129.4000110.8N258 Y259 I261 W316F256-N258 PolarHBondContact O-N 3.2Å; F256-Y259 PolarHBondContact N-O 3.39Å; F256-Y259 PolarHBondContact O-N 2.92Å; F256-I261 HydrophobicContact CB-CD1 3.7Å; F256-I261 HydrophobicContact CB-CG1 4.3Å; F256-I261 HydrophobicContact CG-CD1 4.43Å; F256-W316 HydrophobicContact CB-CH2 3.6Å; F256-W316 HydrophobicContact CB-CZ2 3.46Å; F256-W316 VanDerWaalsContact CB-CZ2 3.46Å; F256-W316 AromaticContact CD1-CH2 3.86Å; F256-W316 HydrophobicContact CD1-CH2 3.86Å; F256-W316 AromaticContact CD2-CH2 2.99Å; F256-W316 HydrophobicContact CD2-CH2 2.99Å; F256-W316 AromaticContact CD2-CZ2 3.11Å; F256-W316 HydrophobicContact CD2-CZ2 3.11Å; F256-W316 AromaticContact CD2-CZ3 3.99Å; F256-W316 HydrophobicContact CD2-CZ3 3.99Å; F256-W316 HydrophobicContact CE1-CH2 4.25Å; F256-W316 AromaticContact CE2-CH2 3.46Å; F256-W316 HydrophobicContact CE2-CH2 3.46Å; F256-W316 VanDerWaalsContact CE2-CH2 3.46Å; F256-W316 AromaticContact CE2-CZ2 3.92Å; F256-W316 HydrophobicContact CE2-CZ2 3.92Å; F256-W316 HydrophobicContact CE2-CZ3 4.01Å; F256-W316 AromaticContact CG-CH2 3.2Å; F256-W316 HydrophobicContact CG-CH2 3.2Å; F256-W316 AromaticContact CG-CZ2 3.46Å; F256-W316 HydrophobicContact CG-CZ2 3.46Å; F256-W316 VanDerWaalsContact CG-CZ2 3.46Å; F256-W316 HydrophobicContact CG-CZ3 4.38Å; F256-W316 HydrophobicContact CZ-CH2 4.06Å; F256-W316 HydrophobicContact CZ-CZ3 4.47Å
257K91.4Very high91.2Very high156 Ų15675.9 Ų75.968%0.67840%0.398SS*.THydrogen-bonded Turntrans51.6-117-171.5-56178.9178.3179.30109.3
258N94.2Very high91.4Very high154 Ų15479 Ų7982%0.82441%0.411SS*.THydrogen-bonded Turntrans-99.86.3179.3-62.6-20.5000113.5F256F256-N258 PolarHBondContact O-N 3.2Å
259Y95.4Very high91.6Very high164 Ų16480.2 Ų80.264%0.64342%0.419SS*.EExtended strand (participates in β ladder)trans-107144.9-177.5-56.7-77.1000111.4K255 F256K255-Y259 CarbonylContact C-O 3.49Å; K255-Y259 WeakPolarHBondContact CA-O 3.27Å; F256-Y259 PolarHBondContact N-O 3.39Å; F256-Y259 PolarHBondContact O-N 2.92Å
260L95.7Very high91.8Very high116 Ų11682.1 Ų82.161%0.60743%0.432SS*.EExtended strand (participates in β ladder)trans-95.8125.4164.4-177.966.5000108.2D253D253-L260 HydrophobicContact CB-CD1 4.23Å
261I95.4Very high92.1Very high24 Ų2482.6 Ų82.612%0.12343%0.434CS..EExtended strand (participates in β ladder)trans-104.6108.4174.5-55.4179.1000106.8V250 D253 V254 F256 T265 I267 W316V250-I261 HydrophobicContact CG1-CG2 4.03Å; V250-I261 HydrophobicContact CG2-CG2 3.76Å; D253-I261 WeakPolarHBondContact CA-O 3.37Å; V254-I261 HydrophobicContact CB-CB 4.39Å; V254-I261 PolarHBondContact N-O 2.97Å; V254-I261 PolarHBondContact O-N 2.95Å; F256-I261 HydrophobicContact CB-CD1 3.7Å; F256-I261 HydrophobicContact CB-CG1 4.3Å; F256-I261 HydrophobicContact CG-CD1 4.43Å; I261-T265 HydrophobicContact CG2-CG2 3.92Å; I261-I267 HydrophobicContact CD1-CD1 4.22Å; I261-I267 HydrophobicContact CG2-CD1 3.98Å; I261-W316 HydrophobicContact CD1-CH2 4.14Å; I261-W316 HydrophobicContact CD1-CZ2 4.47Å
262P95.9Very high92.3Very high66 Ų6681.6 Ų81.643%0.42943%0.428SS..  trans-65.7149.1-178.9-22.133.8000112.6V250 D253 G264 T265V250-P262 WeakPolarHBondContact CG2-O 3.12Å; D253-P262 WeakPolarHBondContact OD1-CA 3.46Å; P262-G264 PolarHBondContact O-N 2.89Å; P262-T265 VanDerWaalsContact O-CB 3.22Å; P262-T265 WeakPolarHBondContact O-CB 3.34Å; P262-T265 PolarHBondContact O-N 3.18Å; P262-T265 VanDerWaalsContact O-N 3.11Å; P262-T265 PolarHBondContact O-OG1 3.18Å
263K93.6Very high92.5Very high146 Ų14683.1 Ų83.164%0.63544%0.439SS*.THydrogen-bonded Turntrans-48.6137.2170.7177.5176.9177.4-175.90111.3T251 D253 T265T251-K263 WeakPolarHBondContact O-CD 3.4Å; T251-K263 VanDerWaalsContact O-CE 3.26Å; T251-K263 WeakPolarHBondContact O-CE 3.27Å; T251-K263 WeakPolarHBondContact O-CG 3.5Å; D253-K263 WeakPolarHBondContact OD1-CB 3.23Å; D253-K263 PolarHBondContact OD1-N 3.49Å; K263-T265 VanDerWaalsContact C-N 3.28Å
264G89Confident92.6Very high51 Ų5180.1 Ų80.153%0.52643%0.425SS..THydrogen-bonded Turntrans85.4-7.7-17900000114.2V250 P262 T266V250-G264 PolarHBondContact O-N 2.89Å; P262-G264 PolarHBondContact O-N 2.89Å; G264-T266 PolarHBondContact O-N 3.45Å
265T90.9Very high92.7Very high52 Ų5279.7 Ų79.732%0.31942%0.422SS..  trans-64.7126.3176.7-56.60000110.6A249 V250 I261 P262 K263 I267A249-T265 WeakPolarHBondContact CA-O 3.29Å; V250-T265 PolarHBondContact N-O 3.48Å; V250-T265 VanDerWaalsContact N-O 3.13Å; I261-T265 HydrophobicContact CG2-CG2 3.92Å; P262-T265 VanDerWaalsContact O-CB 3.22Å; P262-T265 WeakPolarHBondContact O-CB 3.34Å; P262-T265 PolarHBondContact O-N 3.18Å; P262-T265 VanDerWaalsContact O-N 3.11Å; P262-T265 PolarHBondContact O-OG1 3.18Å; K263-T265 VanDerWaalsContact C-N 3.28Å; T265-I267 HydrophobicContact CG2-CD1 4.32Å
266T89.1Confident92.9Very high84 Ų8473.6 Ų73.652%0.51540%0.396SS..EExtended strand (participates in β ladder)trans-70.6130.4172.7-56.50000110.5P247 H248 G264 I268P247-T266 HydrophobicContact CB-CG2 3.95Å; H248-T266 CarbonylContact O-C 3.09Å; H248-T266 WeakPolarHBondContact O-CA 3.28Å; H248-T266 WeakPolarHBondContact O-CG2 3.27Å; G264-T266 PolarHBondContact O-N 3.45Å; T266-I268 HydrophobicContact CG2-CG1 4.3Å
267I89.1Confident93.2Very high35 Ų3571.2 Ų71.218%0.17939%0.387CS..EExtended strand (participates in β ladder)trans-113.5121.9176.1-56.2-59.5000108.2H248 V250 I261 T265 T269H248-I267 HydrophobicContact CB-CB 4.38Å; H248-I267 PolarHBondContact N-O 3.03Å; H248-I267 PolarHBondContact O-N 3.42Å; V250-I267 HydrophobicContact CG1-CG1 4.14Å; I261-I267 HydrophobicContact CD1-CD1 4.22Å; I261-I267 HydrophobicContact CG2-CD1 3.98Å; T265-I267 HydrophobicContact CG2-CD1 4.32Å; I267-T269 HydrophobicContact CG2-CG2 4.19Å
268I88.4Confident93.4Very high111 Ų11168.9 Ų68.957%0.56938%0.382SS*.  trans-108.6127.8172.8-59.2178.7000106.7T244 T266T244-I268 VanDerWaalsContact O-CG2 3.24Å; T244-I268 WeakPolarHBondContact O-CG2 3.45Å; T266-I268 HydrophobicContact CG2-CG1 4.3Å
269T89Confident93.5Very high39 Ų3970.2 Ų70.224%0.23938%0.381CS..  trans-109.8127.7178.5530000108.8T244 N245 I267 L271 L312T244-T269 CarbonylContact C-O 3.53Å; N245-T269 VanDerWaalsContact CB-O 3.27Å; N245-T269 WeakPolarHBondContact CB-O 3.34Å; N245-T269 WeakPolarHBondContact CB-OG1 3.36Å; N245-T269 PolarHBondContact N-O 2.92Å; N245-T269 PolarHBondContact ND2-OG1 3.02Å; I267-T269 HydrophobicContact CG2-CG2 4.19Å; T269-L271 PolarHBondContact O-N 3.03Å; T269-L312 HydrophobicContact CG2-CD1 4.43Å
270S92.7Very high93.6Very high56 Ų5664.9 Ų64.939%0.39236%0.362SS..  trans-81.8106.8178.9175.50000109.7P243 T272 S273P243-S270 CarbonylContact O-C 3.5Å; S270-T272 VanDerWaalsContact C-N 3.31Å; S270-S273 PolarHBondContact O-OG 3.07Å; S270-S273 PolarHBondContact OG-N 3.49Å; S270-S273 VanDerWaalsContact OG-N 3.1Å
271L92.8Very high93.7Very high12 Ų1259.4 Ų59.46%0.06333%0.333CS..SBendtrans-68.4-35.7170.1-62.3-172.9000110.6L242 P243 N245 T269 S273 V274 L275L242-L271 WeakPolarHBondContact O-CD1 3.31Å; P243-L271 PolarHBondContact O-N 3.13Å; N245-L271 HydrophobicContact CB-CD1 4.19Å; N245-L271 HydrophobicContact CB-CD2 4.37Å; N245-L271 HydrophobicContact CB-CG 3.93Å; T269-L271 PolarHBondContact O-N 3.03Å; L271-S273 PolarHBondContact O-N 2.94Å; L271-V274 PolarHBondContact O-N 2.81Å; L271-L275 HydrophobicContact CB-CD1 4.39Å; L271-L275 PolarHBondContact O-N 3.14Å
272T94.4Very high93.7Very high44 Ų4461.9 Ų61.927%0.2735%0.35SS..Hα-helixtrans-49.8-46.3173.3-46.40000112D240 P243 S270 V274 L275 H276D240-T272 WeakPolarHBondContact OD2-CA 3.47Å; D240-T272 WeakPolarHBondContact OD2-CB 3.19Å; D240-T272 VanDerWaalsContact OD2-CG2 3.3Å; D240-T272 WeakPolarHBondContact OD2-CG2 3.38Å; D240-T272 PolarHBondContact OD2-OG1 3.44Å; P243-T272 VanDerWaalsContact CA-OG1 3.27Å; P243-T272 WeakPolarHBondContact CA-OG1 3.47Å; P243-T272 WeakPolarHBondContact CB-OG1 3.35Å; P243-T272 PolarHBondContact O-N 3.43Å; P243-T272 PolarHBondContact O-OG1 3.34Å; S270-T272 VanDerWaalsContact C-N 3.31Å; T272-V274 PolarHBondContact O-N 3.01Å; T272-V274 VanDerWaalsContact O-N 3.07Å; T272-L275 PolarHBondContact O-N 2.79Å; T272-H276 WeakPolarHBondContact O-CB 3.3Å; T272-H276 PolarHBondContact O-N 3.3Å
273S94.4Very high93.8Very high76 Ų7664.4 Ų64.453%0.53136%0.36SS..Hα-helixtrans-59.8-24.3-178.5740000113.8S270 L271S270-S273 PolarHBondContact O-OG 3.07Å; S270-S273 PolarHBondContact OG-N 3.49Å; S270-S273 VanDerWaalsContact OG-N 3.1Å; L271-S273 PolarHBondContact O-N 2.94Å
274V94.9Very high94Very high38 Ų3858.3 Ų58.323%0.2334%0.336CS..Hα-helixtrans-92.6-47.9178.5-171.20000110.3L271 T272 H276 N277 Y304L271-V274 PolarHBondContact O-N 2.81Å; T272-V274 PolarHBondContact O-N 3.01Å; T272-V274 VanDerWaalsContact O-N 3.07Å; V274-H276 PolarHBondContact O-N 3.3Å; V274-N277 WeakPolarHBondContact O-CB 3.27Å; V274-N277 PolarHBondContact O-N 3.44Å; V274-Y304 HydrophobicContact CG1-CD1 3.66Å; V274-Y304 HydrophobicContact CG1-CG 4.1Å; V274-Y304 VanDerWaalsContact CG1-O 3.31Å; V274-Y304 WeakPolarHBondContact CG1-O 3.36Å
275L96.3Very high94.3Very high0 Ų062.3 Ų62.30%034%0.341CS..Hα-helixtrans-69.8-20.3-177.8-64.8174.3000113.7R237 D240 L271 T272 F281 F305 P307R237-L275 WeakPolarHBondContact CD-O 3.43Å; R237-L275 HydrophobicContact CG-CB 4.15Å; R237-L275 HydrophobicContact CG-CD2 4.19Å; R237-L275 VanDerWaalsContact CG-O 3.3Å; R237-L275 WeakPolarHBondContact CG-O 3.32Å; R237-L275 PolarHBondContact NH1-O 3.43Å; D240-L275 HydrophobicContact CB-CD1 4.37Å; D240-L275 WeakPolarHBondContact OD1-CD1 3.24Å; L271-L275 HydrophobicContact CB-CD1 4.39Å; L271-L275 PolarHBondContact O-N 3.14Å; T272-L275 PolarHBondContact O-N 2.79Å; L275-F281 WeakPolarHBondContact O-CD2 3.3Å; L275-F305 HydrophobicContact CD2-CD2 4.48Å; L275-P307 HydrophobicContact CD1-CB 4.36Å
276H96.5Very high94.6Very high36 Ų3665 Ų6517%0.16735%0.351CS..THydrogen-bonded Turntrans-110.425.2175.6-66.970.7000112.6T272 V274 D278 P284 E285T272-H276 WeakPolarHBondContact O-CB 3.3Å; T272-H276 PolarHBondContact O-N 3.3Å; V274-H276 PolarHBondContact O-N 3.3Å; H276-D278 PolarHBondContact O-N 3.32Å; H276-D278 VanDerWaalsContact O-N 3.1Å; H276-P284 HydrophobicContact CB-CB 4.05Å; H276-P284 HydrophobicContact CB-CG 4.47Å; H276-E285 IonicContact CD2-OE1 2.96Å
277N97.3Very high95Very high35 Ų3561.6 Ų61.619%0.18733%0.329CS..  trans-66111.5175.6-171.4-84.3000110.7V274 K279 E280 F281 Y304V274-N277 WeakPolarHBondContact O-CB 3.27Å; V274-N277 PolarHBondContact O-N 3.44Å; N277-K279 PolarHBondContact O-N 3.17Å; N277-K279 WeakPolarHBondContact OD1-CB 3.44Å; N277-K279 PolarHBondContact OD1-N 3.02Å; N277-E280 HydrophobicContact CB-CB 4.31Å; N277-E280 PolarHBondContact O-N 3.44Å; N277-E280 PolarHBondContact OD1-N 3.02Å; N277-E280 VanDerWaalsContact OD1-N 3.11Å; N277-F281 PolarHBondContact O-N 3.03Å; N277-Y304 HydrophobicContact CB-CD1 3.61Å; N277-Y304 HydrophobicContact CB-CE1 3.76Å; N277-Y304 VanDerWaalsContact CG-CE1 3.49Å
278D96.3Very high95.5Very high107 Ų10763.6 Ų63.657%0.57234%0.34SS*.THydrogen-bonded Turntrans-64.6-22.6-175.564.7-18.5000114.9H276 P284H276-D278 PolarHBondContact O-N 3.32Å; H276-D278 VanDerWaalsContact O-N 3.1Å; D278-P284 HydrophobicContact CB-CG 4.42Å
279K96Very high95.9Very high183 Ų18358.5 Ų58.580%0.79631%0.314SS*.THydrogen-bonded Turntrans-79.2-37.1176.2-62.1-179.3-178.61780112.2N277N277-K279 PolarHBondContact O-N 3.17Å; N277-K279 WeakPolarHBondContact OD1-CB 3.44Å; N277-K279 PolarHBondContact OD1-N 3.02Å
280E97.2Very high96.3Very high52 Ų5258.3 Ų58.324%0.24332%0.32CS..THydrogen-bonded Turntrans-84.9-38.8178.5-177.462.5-168.200111.9N277 P282 K300 S302 Y304N277-E280 HydrophobicContact CB-CB 4.31Å; N277-E280 PolarHBondContact O-N 3.44Å; N277-E280 PolarHBondContact OD1-N 3.02Å; N277-E280 VanDerWaalsContact OD1-N 3.11Å; E280-P282 WeakPolarHBondContact O-CD 3.39Å; E280-K300 IonicContact OE1-NZ 3.65Å; E280-S302 VanDerWaalsContact CD-OG 3.22Å; E280-S302 WeakPolarHBondContact CG-OG 3.48Å; E280-S302 VanDerWaalsContact OE1-CB 3.3Å; E280-S302 WeakPolarHBondContact OE1-CB 3.43Å; E280-S302 PolarHBondContact OE1-OG 2.69Å; E280-Y304 HydrophobicContact CB-CD1 4.31Å; E280-Y304 HydrophobicContact CB-CD2 3.94Å; E280-Y304 HydrophobicContact CB-CE2 4.25Å; E280-Y304 HydrophobicContact CB-CG 3.98Å; E280-Y304 HydrophobicContact CG-CD2 3.63Å; E280-Y304 HydrophobicContact CG-CE2 4.31Å; E280-Y304 HydrophobicContact CG-CG 3.82Å
281F97.6Very high96.6Very high0 Ų056.4 Ų56.40%031%0.305CS..SBendtrans-120.290-179.3-52.3-63.1000109.8R237 L275 N277 N283 P284 H291 F292R237-F281 HydrophobicContact CG-CE2 4.36Å; R237-F281 HydrophobicContact CG-CZ 4.47Å; L275-F281 WeakPolarHBondContact O-CD2 3.3Å; N277-F281 PolarHBondContact O-N 3.03Å; F281-N283 PolarHBondContact O-N 3.34Å; F281-P284 HydrophobicContact CB-CB 4.32Å; F281-P284 VanDerWaalsContact O-CD 3.23Å; F281-P284 WeakPolarHBondContact O-CD 3.29Å; F281-H291 HydrophobicContact CD1-CB 3.87Å; F281-H291 HydrophobicContact CE1-CB 4.46Å; F281-F292 HydrophobicContact CE1-CE1 4.09Å; F281-F292 HydrophobicContact CE1-CE2 4.33Å; F281-F292 AromaticContact CE1-CZ 3.76Å; F281-F292 HydrophobicContact CE1-CZ 3.76Å; F281-F292 HydrophobicContact CZ-CE1 4.44Å; F281-F292 HydrophobicContact CZ-CZ 4.08Å
282P97.1Very high96.9Very high76 Ų7655.9 Ų55.949%0.49430%0.302SS..SBendtrans-62.3126.8179.8-23.534.5000112.4E280 H291E280-P282 WeakPolarHBondContact O-CD 3.39Å; P282-H291 PolarHBondContact O-NE2 3.33Å
283N97.1Very high97.1Very high119 Ų11955.4 Ų55.464%0.63630%0.298SS*.SBendtrans61.159.7-169.2-45-68.9000112.2F281 E285 M286F281-N283 PolarHBondContact O-N 3.34Å; N283-E285 PolarHBondContact O-N 3.3Å; N283-M286 HydrophobicContact CB-CB 4.31Å; N283-M286 HydrophobicContact CB-CG 4.06Å; N283-M286 WeakPolarHBondContact O-CB 3.48Å; N283-M286 PolarHBondContact O-N 2.93Å
284P96.9Very high97.2Very high19 Ų1954.6 Ų54.612%0.12329%0.288CS..THydrogen-bonded Turntrans-63.4-22-170.526-33.6000113.8R237 H276 D278 F281 M286R237-P284 VanDerWaalsContact CZ-O 3.32Å; R237-P284 PolarHBondContact NH1-O 3.41Å; R237-P284 PolarHBondContact NH2-O 3.33Å; H276-P284 HydrophobicContact CB-CB 4.05Å; H276-P284 HydrophobicContact CB-CG 4.47Å; D278-P284 HydrophobicContact CB-CG 4.42Å; F281-P284 HydrophobicContact CB-CB 4.32Å; F281-P284 VanDerWaalsContact O-CD 3.23Å; F281-P284 WeakPolarHBondContact O-CD 3.29Å; P284-M286 PolarHBondContact O-N 2.84Å
285E96.6Very high97.2Very high135 Ų13563.4 Ų63.463%0.63132%0.323SS*.THydrogen-bonded Turntrans-75.4-7.1175.5-58.2-61.215500113.6Y238 H276 N283Y238-E285 WeakPolarHBondContact CE2-O 3.48Å; H276-E285 IonicContact CD2-OE1 2.96Å; N283-E285 PolarHBondContact O-N 3.3Å
286M97.1Very high97.1Very high109 Ų10968 Ų6854%0.53736%0.355SS..SBendtrans-98.6139.1176-65.2-66.1-67.700109.7R237 N283 P284 D288R237-M286 PolarHBondContact NH2-O 3.5Å; R237-M286 VanDerWaalsContact NH2-O 3.09Å; N283-M286 HydrophobicContact CB-CB 4.31Å; N283-M286 HydrophobicContact CB-CG 4.06Å; N283-M286 WeakPolarHBondContact O-CB 3.48Å; N283-M286 PolarHBondContact O-N 2.93Å; P284-M286 PolarHBondContact O-N 2.84Å; M286-D288 PolarHBondContact O-N 3.06Å
287F98.4Very high97.1Very high11 Ų1168 Ų685%0.04837%0.365CS..  trans-78.2105.7169.5178.8-101.2000108.4L192 Y196 V199 V231 E234 I235 Y238 P289L192-F287 HydrophobicContact CB-CE2 4.44Å; L192-F287 HydrophobicContact CB-CZ 4.33Å; L192-F287 HydrophobicContact CD1-CD2 3.95Å; L192-F287 HydrophobicContact CD1-CE2 3.85Å; L192-F287 HydrophobicContact CD2-CB 4.44Å; L192-F287 HydrophobicContact CD2-CD2 4.19Å; L192-F287 HydrophobicContact CD2-CG 4.19Å; Y196-F287 HydrophobicContact CD2-CB 4.39Å; Y196-F287 AromaticContact CD2-CD1 3.38Å; Y196-F287 HydrophobicContact CD2-CD1 3.38Å; Y196-F287 AromaticContact CD2-CE1 3.98Å; Y196-F287 HydrophobicContact CD2-CE1 3.98Å; Y196-F287 HydrophobicContact CD2-CG 4.16Å; Y196-F287 HydrophobicContact CE2-CB 3.68Å; Y196-F287 AromaticContact CE2-CD1 3.58Å; Y196-F287 HydrophobicContact CE2-CD1 3.58Å; Y196-F287 AromaticContact CE2-CG 3.9Å; Y196-F287 HydrophobicContact CE2-CG 3.9Å; Y196-F287 AromaticContact CG-CD1 3.97Å; Y196-F287 HydrophobicContact CG-CD1 3.97Å; Y196-F287 HydrophobicContact CG-CE1 4.47Å; V199-F287 HydrophobicContact CG1-CE1 4.3Å; V199-F287 HydrophobicContact CG2-CE1 4.37Å; V231-F287 HydrophobicContact CG1-CZ 4.45Å; E234-F287 HydrophobicContact CB-CE2 4.03Å; E234-F287 HydrophobicContact CG-CD2 3.59Å; E234-F287 HydrophobicContact CG-CE2 3.55Å; E234-F287 HydrophobicContact CG-CG 4.31Å; E234-F287 HydrophobicContact CG-CZ 4.26Å; I235-F287 HydrophobicContact CG1-CE2 3.8Å; I235-F287 HydrophobicContact CG1-CZ 3.99Å; Y238-F287 HydrophobicContact CD1-CD2 4.38Å; Y238-F287 HydrophobicContact CD2-CB 3.73Å; Y238-F287 HydrophobicContact CD2-CD2 4.34Å; Y238-F287 HydrophobicContact CE2-CB 3.78Å; Y238-F287 VanDerWaalsContact CE2-N 3.3Å; Y238-F287 HydrophobicContact CG-CB 4.13Å; Y238-F287 AromaticContact CG-CD2 3.97Å; Y238-F287 HydrophobicContact CG-CD2 3.97Å; F287-P289 HydrophobicContact CE1-CG 4.33Å
288D97.9Very high97Very high78 Ų7870.6 Ų70.642%0.41738%0.379SS..  trans-137.8105.9-178.3-175.83.7000110.9E234 M286 G290 H291E234-D288 WeakPolarHBondContact CG-O 3.29Å; E234-D288 PolarHBondContact OE1-N 3.18Å; M286-D288 PolarHBondContact O-N 3.06Å; D288-G290 PolarHBondContact O-N 2.92Å; D288-G290 WeakPolarHBondContact OD1-CA 3.48Å; D288-G290 PolarHBondContact OD1-N 3.46Å; D288-H291 WeakPolarHBondContact O-CB 3.49Å; D288-H291 PolarHBondContact O-N 3.08Å; D288-H291 PolarHBondContact O-ND1 3.46Å
289P98.2Very high97.1Very high4 Ų468.1 Ų68.13%0.02636%0.363CS..G310 helixtrans-55.6-21.6173.9-2635.9000113.6V199 Y227 V231 F287 H291 F292V199-P289 HydrophobicContact CG1-CG 3.95Å; V199-P289 HydrophobicContact CG2-CG 4.09Å; Y227-P289 HydrophobicContact CE2-CB 4.2Å; V231-P289 HydrophobicContact CG2-CB 3.81Å; V231-P289 HydrophobicContact CG2-CG 3.65Å; F287-P289 HydrophobicContact CE1-CG 4.33Å; P289-H291 PolarHBondContact O-N 2.93Å; P289-H291 VanDerWaalsContact O-N 3.16Å; P289-F292 PolarHBondContact O-N 2.61Å; P289-F292 VanDerWaalsContact O-N 3.08Å
290G97.8Very high97.1Very high35 Ų3563.9 Ų63.936%0.36135%0.345SS..G310 helixtrans-56.4-24173.500000114.4D288 F292 L293D288-G290 PolarHBondContact O-N 2.92Å; D288-G290 WeakPolarHBondContact OD1-CA 3.48Å; D288-G290 PolarHBondContact OD1-N 3.46Å; G290-F292 PolarHBondContact O-N 2.88Å; G290-F292 VanDerWaalsContact O-N 3.15Å; G290-L293 PolarHBondContact O-N 3.43Å; G290-L293 VanDerWaalsContact O-N 3.15Å
291H98.3Very high97Very high16 Ų1668.5 Ų68.57%0.07436%0.364CS..G310 helixtrans-56-28.5173-72.9145.2000113.7E234 F281 P282 D288 P289E234-H291 VanDerWaalsContact CD-ND1 3.3Å; E234-H291 IonicContact OE1-CE1 3.81Å; E234-H291 IonicContact OE1-CG 2.71Å; E234-H291 IonicContact OE1-ND1 3.44Å; E234-H291 PolarHBondContact OE1-ND1 3.32Å; E234-H291 IonicContact OE2-CG 3.16Å; E234-H291 IonicContact OE2-ND1 3.18Å; E234-H291 PolarHBondContact OE2-ND1 2.93Å; F281-H291 HydrophobicContact CD1-CB 3.87Å; F281-H291 HydrophobicContact CE1-CB 4.46Å; P282-H291 PolarHBondContact O-NE2 3.33Å; D288-H291 WeakPolarHBondContact O-CB 3.49Å; D288-H291 PolarHBondContact O-N 3.08Å; D288-H291 PolarHBondContact O-ND1 3.46Å; P289-H291 PolarHBondContact O-N 2.93Å; P289-H291 VanDerWaalsContact O-N 3.16Å
292F98.5Very high96.9Very high0 Ų068.6 Ų68.60%037%0.365CS..G310 helixtrans-11320.2-177.9-67.4-77.5000112.9A230 H233 E234 R237 F281 P289 G290 F299 K300 F305A230-F292 HydrophobicContact CB-CB 3.74Å; H233-F292 HydrophobicContact CB-CB 4.36Å; H233-F292 HydrophobicContact CB-CD1 3.8Å; H233-F292 HydrophobicContact CB-CD2 3.64Å; H233-F292 HydrophobicContact CB-CE1 3.96Å; H233-F292 HydrophobicContact CB-CE2 3.8Å; H233-F292 HydrophobicContact CB-CG 3.64Å; H233-F292 HydrophobicContact CB-CZ 3.97Å; E234-F292 HydrophobicContact CB-CD2 4.07Å; E234-F292 HydrophobicContact CB-CE2 4.3Å; E234-F292 VanDerWaalsContact OE2-CE2 3.29Å; E234-F292 WeakPolarHBondContact OE2-CE2 3.33Å; R237-F292 HydrophobicContact CB-CE2 3.99Å; R237-F292 HydrophobicContact CB-CZ 4.13Å; R237-F292 HydrophobicContact CG-CE2 4.44Å; R237-F292 HydrophobicContact CG-CZ 4.38Å; F281-F292 HydrophobicContact CE1-CE1 4.09Å; F281-F292 HydrophobicContact CE1-CE2 4.33Å; F281-F292 AromaticContact CE1-CZ 3.76Å; F281-F292 HydrophobicContact CE1-CZ 3.76Å; F281-F292 HydrophobicContact CZ-CE1 4.44Å; F281-F292 HydrophobicContact CZ-CZ 4.08Å; P289-F292 PolarHBondContact O-N 2.61Å; P289-F292 VanDerWaalsContact O-N 3.08Å; G290-F292 PolarHBondContact O-N 2.88Å; G290-F292 VanDerWaalsContact O-N 3.15Å; F292-F299 HydrophobicContact CB-CD2 4.37Å; F292-F299 HydrophobicContact CB-CE2 4.03Å; F292-F299 HydrophobicContact CD1-CE2 4.49Å; F292-K300 PolarHBondContact O-N 3.49Å; F292-F305 HydrophobicContact CE1-CB 3.88Å; F292-F305 AromaticContact CE1-CD2 3.89Å; F292-F305 HydrophobicContact CE1-CD2 3.89Å; F292-F305 HydrophobicContact CE1-CG 4Å; F292-F305 HydrophobicContact CZ-CB 4.21Å; F292-F305 AromaticContact CZ-CD2 3.54Å; F292-F305 HydrophobicContact CZ-CD2 3.54Å; F292-F305 HydrophobicContact CZ-CE2 4.23Å; F292-F305 HydrophobicContact CZ-CG 4.12Å
293L98.1Very high96.7Very high34 Ų3471.3 Ų71.318%0.17838%0.375CS..BIsolated β-bridgetrans-121.1142.2177.9-64.6170000111.2Y227 A230 G290 N298Y227-L293 HydrophobicContact CD2-CD1 3.74Å; Y227-L293 HydrophobicContact CE2-CD1 4.06Å; A230-L293 HydrophobicContact CB-CD1 4.31Å; A230-L293 HydrophobicContact CB-CD2 3.67Å; A230-L293 HydrophobicContact CB-CG 3.72Å; G290-L293 PolarHBondContact O-N 3.43Å; G290-L293 VanDerWaalsContact O-N 3.15Å; L293-N298 CarbonylContact C-O 3.59Å; L293-N298 WeakPolarHBondContact CA-O 3.47Å
294D96.8Very high96.7Very high60 Ų6070.1 Ų70.132%0.32136%0.362SS..  trans-83175.5168.377.613.9000111.7S296 G297 N298 K300D294-S296 PolarHBondContact O-N 3.33Å; D294-S296 VanDerWaalsContact O-N 3.1Å; D294-S296 VanDerWaalsContact OD1-CA 3.27Å; D294-S296 WeakPolarHBondContact OD1-CA 3.48Å; D294-S296 WeakPolarHBondContact OD1-CB 3.37Å; D294-S296 PolarHBondContact OD1-N 3.24Å; D294-G297 PolarHBondContact O-N 2.85Å; D294-G297 PolarHBondContact OD1-N 3.33Å; D294-N298 PolarHBondContact N-O 2.96Å; D294-N298 PolarHBondContact OD1-N 2.78Å; D294-N298 WeakPolarHBondContact OD2-CB 3.13Å; D294-N298 PolarHBondContact OD2-ND2 2.99Å; D294-N298 VanDerWaalsContact OD2-ND2 3.14Å; D294-K300 HydrophobicContact CB-CB 4.37Å
295K94.9Very high96.6Very high222 Ų22270.5 Ų70.597%0.96536%0.362SS*.THydrogen-bonded Turntrans-62.3-17.6180-65.1-175.8179.7-179.70114.2
296S95.9Very high96.4Very high98 Ų9867.3 Ų67.369%0.68535%0.348SS*.THydrogen-bonded Turntrans-96.4-1.2178.9-45.40000112.1D294D294-S296 PolarHBondContact O-N 3.33Å; D294-S296 VanDerWaalsContact O-N 3.1Å; D294-S296 VanDerWaalsContact OD1-CA 3.27Å; D294-S296 WeakPolarHBondContact OD1-CA 3.48Å; D294-S296 WeakPolarHBondContact OD1-CB 3.37Å; D294-S296 PolarHBondContact OD1-N 3.24Å
297G94.6Very high96Very high36 Ų3663.3 Ų63.337%0.37133%0.33SS..SBendtrans81.911.6-176.800000114.4D294D294-G297 PolarHBondContact O-N 2.85Å; D294-G297 PolarHBondContact OD1-N 3.33Å
298N97.1Very high95.5Very high88 Ų8869 Ų6947%0.47136%0.355SS..  trans-81.2153.3172.8-52-61.7000110.6L293 D294 K300L293-N298 CarbonylContact C-O 3.59Å; L293-N298 WeakPolarHBondContact CA-O 3.47Å; D294-N298 PolarHBondContact N-O 2.96Å; D294-N298 PolarHBondContact OD1-N 2.78Å; D294-N298 WeakPolarHBondContact OD2-CB 3.13Å; D294-N298 PolarHBondContact OD2-ND2 2.99Å; D294-N298 VanDerWaalsContact OD2-ND2 3.14Å; N298-K300 PolarHBondContact O-N 3.41Å
299F97.9Very high94.9Very high56 Ų5666.3 Ų66.325%0.24634%0.342CS..BIsolated β-bridgetrans-61.7126.9172.8178-102.7000111P226 D229 A230 H233 F292 K301P226-F299 HydrophobicContact CB-CB 4.04Å; D229-F299 HydrophobicContact CB-CD2 3.9Å; D229-F299 HydrophobicContact CB-CE2 4.28Å; D229-F299 HydrophobicContact CB-CG 4.31Å; A230-F299 HydrophobicContact CB-CD2 4.29Å; H233-F299 HydrophobicContact CB-CE2 4.4Å; H233-F299 AromaticContact CD2-CZ 3.73Å; H233-F299 AromaticContact CE1-CE2 3.81Å; H233-F299 AromaticContact CE1-CZ 3.5Å; H233-F299 VanDerWaalsContact CE1-CZ 3.5Å; H233-F299 WeakPolarHBondContact CE1-CZ 3.35Å; H233-F299 AromaticContact CG-CE2 3.74Å; H233-F299 AromaticContact CG-CZ 3.87Å; H233-F299 AromaticContact ND1-CE2 3.53Å; H233-F299 AromaticContact ND1-CZ 3.7Å; H233-F299 AromaticContact NE2-CZ 3.52Å; F292-F299 HydrophobicContact CB-CD2 4.37Å; F292-F299 HydrophobicContact CB-CE2 4.03Å; F292-F299 HydrophobicContact CD1-CE2 4.49Å; F299-K301 HydrophobicContact CE1-CB 3.97Å; F299-K301 HydrophobicContact CZ-CB 4.44Å
300K96.6Very high93.7Very high94 Ų9467.9 Ų67.941%0.40936%0.356SS..  trans-116.7109.4176.1-177.4-162.5168.2-1490109E280 F292 D294 N298E280-K300 IonicContact OE1-NZ 3.65Å; F292-K300 PolarHBondContact O-N 3.49Å; D294-K300 HydrophobicContact CB-CB 4.37Å; N298-K300 PolarHBondContact O-N 3.41Å
301K93.3Very high91.9Very high148 Ų14869 Ų6964%0.64336%0.362SS*.  trans-68.2136.9170.9-170.1178.4179.1-174.60110.3F299F299-K301 HydrophobicContact CE1-CB 3.97Å; F299-K301 HydrophobicContact CZ-CB 4.44Å
302S95.4Very high89.7Confident3 Ų369.7 Ų69.72%0.02137%0.365CS..  trans-104.7139.6169.3-178.40000110.7E280 Y304 F305E280-S302 VanDerWaalsContact CD-OG 3.22Å; E280-S302 WeakPolarHBondContact CG-OG 3.48Å; E280-S302 VanDerWaalsContact OE1-CB 3.3Å; E280-S302 WeakPolarHBondContact OE1-CB 3.43Å; E280-S302 PolarHBondContact OE1-OG 2.69Å; S302-Y304 PolarHBondContact O-N 2.9Å; S302-Y304 PolarHBondContact OG-N 3.21Å; S302-Y304 VanDerWaalsContact OG-N 3.17Å; S302-F305 WeakPolarHBondContact O-CB 3.3Å; S302-F305 PolarHBondContact O-N 3.28Å
303D94.4Very high87.2Confident133 Ų13373.5 Ų73.571%0.71138%0.382SS*.THydrogen-bonded Turntrans-68.6-18.7171.6-71.9-29000112F305 M306D303-F305 VanDerWaalsContact C-N 3.26Å; D303-F305 PolarHBondContact O-N 3.22Å; D303-M306 WeakPolarHBondContact O-CE 3.5Å
304Y95.4Very high84.2Confident93 Ų9378.9 Ų78.937%0.36541%0.411SS..THydrogen-bonded Turntrans-78.9-10.3175.2-72.1-109.3000112.6V274 N277 E280 S302 M306V274-Y304 HydrophobicContact CG1-CD1 3.66Å; V274-Y304 HydrophobicContact CG1-CG 4.1Å; V274-Y304 VanDerWaalsContact CG1-O 3.31Å; V274-Y304 WeakPolarHBondContact CG1-O 3.36Å; N277-Y304 HydrophobicContact CB-CD1 3.61Å; N277-Y304 HydrophobicContact CB-CE1 3.76Å; N277-Y304 VanDerWaalsContact CG-CE1 3.49Å; E280-Y304 HydrophobicContact CB-CD1 4.31Å; E280-Y304 HydrophobicContact CB-CD2 3.94Å; E280-Y304 HydrophobicContact CB-CE2 4.25Å; E280-Y304 HydrophobicContact CB-CG 3.98Å; E280-Y304 HydrophobicContact CG-CD2 3.63Å; E280-Y304 HydrophobicContact CG-CE2 4.31Å; E280-Y304 HydrophobicContact CG-CG 3.82Å; S302-Y304 PolarHBondContact O-N 2.9Å; S302-Y304 PolarHBondContact OG-N 3.21Å; S302-Y304 VanDerWaalsContact OG-N 3.17Å; Y304-M306 VanDerWaalsContact C-N 3.34Å; Y304-M306 PolarHBondContact O-N 3.2Å
305F95.1Very high81.6Confident28 Ų2882.5 Ų82.512%0.12343%0.429CS..  trans-74.887.6174.7-175-107000110.8H233 Q236 R237 L275 F292 S302 D303 P307H233-F305 HydrophobicContact CB-CE2 4.08Å; H233-F305 HydrophobicContact CB-CZ 4.15Å; H233-F305 AromaticContact CD2-CD1 3.48Å; H233-F305 VanDerWaalsContact CD2-CD1 3.48Å; H233-F305 WeakPolarHBondContact CD2-CD1 3.2Å; H233-F305 AromaticContact CD2-CE1 3.22Å; H233-F305 WeakPolarHBondContact CD2-CE1 3.26Å; H233-F305 AromaticContact CD2-CG 3.97Å; H233-F305 AromaticContact CD2-CZ 3.51Å; H233-F305 AromaticContact CG-CZ 4Å; H233-F305 AromaticContact NE2-CE1 3.66Å; H233-F305 VanDerWaalsContact O-CE2 3.24Å; H233-F305 WeakPolarHBondContact O-CE2 3.47Å; Q236-F305 HydrophobicContact CB-CE2 3.87Å; Q236-F305 HydrophobicContact CB-CZ 3.9Å; R237-F305 HydrophobicContact CB-CD2 4.37Å; R237-F305 HydrophobicContact CB-CE2 4.4Å; L275-F305 HydrophobicContact CD2-CD2 4.48Å; F292-F305 HydrophobicContact CE1-CB 3.88Å; F292-F305 AromaticContact CE1-CD2 3.89Å; F292-F305 HydrophobicContact CE1-CD2 3.89Å; F292-F305 HydrophobicContact CE1-CG 4Å; F292-F305 HydrophobicContact CZ-CB 4.21Å; F292-F305 AromaticContact CZ-CD2 3.54Å; F292-F305 HydrophobicContact CZ-CD2 3.54Å; F292-F305 HydrophobicContact CZ-CE2 4.23Å; F292-F305 HydrophobicContact CZ-CG 4.12Å; S302-F305 WeakPolarHBondContact O-CB 3.3Å; S302-F305 PolarHBondContact O-N 3.28Å; D303-F305 VanDerWaalsContact C-N 3.26Å; D303-F305 PolarHBondContact O-N 3.22Å; F305-P307 HydrophobicContact CD1-CG 4.41Å; F305-P307 HydrophobicContact CD2-CG 4.28Å; F305-P307 HydrophobicContact CE1-CG 3.88Å; F305-P307 HydrophobicContact CE2-CG 3.73Å; F305-P307 HydrophobicContact CZ-CG 3.52Å
306M92.3Very high79.5Confident68 Ų6874.4 Ų74.434%0.33539%0.393SS..  trans-126.348.7-178.4-56.8-168.3-178.400113.5D303 Y304 F308 S309 A310D303-M306 WeakPolarHBondContact O-CE 3.5Å; Y304-M306 VanDerWaalsContact C-N 3.34Å; Y304-M306 PolarHBondContact O-N 3.2Å; M306-F308 PolarHBondContact O-N 3.1Å; M306-F308 VanDerWaalsContact O-N 3.17Å; M306-S309 PolarHBondContact O-N 2.86Å; M306-A310 HydrophobicContact SD-CB 3.89Å
307P90.3Very high77.1Confident24 Ų2474.9 Ų74.916%0.15639%0.394CS..THydrogen-bonded Turntrans-65.8-19179.330.2-36.2000113Q236 L275 F305Q236-P307 HydrophobicContact CB-CB 4.39Å; Q236-P307 HydrophobicContact CB-CG 4.25Å; L275-P307 HydrophobicContact CD1-CB 4.36Å; F305-P307 HydrophobicContact CD1-CG 4.41Å; F305-P307 HydrophobicContact CD2-CG 4.28Å; F305-P307 HydrophobicContact CE1-CG 3.88Å; F305-P307 HydrophobicContact CE2-CG 3.73Å; F305-P307 HydrophobicContact CZ-CG 3.52Å
308F87.8Confident75.1Confident132 Ų13274.5 Ų74.558%0.57939%0.385SS*.THydrogen-bonded Turntrans-100.722.6175.6-54.1-73.4000112.7M306 I334M306-F308 PolarHBondContact O-N 3.1Å; M306-F308 VanDerWaalsContact O-N 3.17Å; F308-I334 WeakPolarHBondContact O-CG2 3.45Å
309S84.6Confident72.9Confident21 Ų2170.4 Ų70.415%0.14736%0.363CS..  trans58.6171.2-170.6-171.80000113.2N245 M306N245-S309 WeakPolarHBondContact ND2-CB 3.44Å; N245-S309 PolarHBondContact ND2-OG 2.65Å; M306-S309 PolarHBondContact O-N 2.86Å
310A72.8Confident70.7Confident37 Ų3771 Ų7131%0.30637%0.367SS..  trans-94.4148.6161.900000109.2M306 L312M306-A310 HydrophobicContact SD-CB 3.89Å; A310-L312 VanDerWaalsContact C-N 3.29Å; A310-L312 PolarHBondContact O-N 3.22Å
311A59.8Low68.3Low59 Ų5967.6 Ų67.649%0.48836%0.355SS..  trans-63.192.2170.200000109.7K313 N314A311-K313 PolarHBondContact O-N 2.9Å; A311-N314 PolarHBondContact O-N 3.02Å; A311-N314 VanDerWaalsContact O-N 3.13Å
312L51.4Low66Low29 Ų2963.7 Ų63.715%0.15234%0.343CS..Hα-helixtrans-58.9-16.5-179.1-77167.3000112.9H248 T269 A310 N314 L315 W316 V319H248-L312 VanDerWaalsContact CD2-CD1 3.47Å; H248-L312 WeakPolarHBondContact CD2-CD1 3.3Å; H248-L312 WeakPolarHBondContact NE2-CD1 3.27Å; T269-L312 HydrophobicContact CG2-CD1 4.43Å; A310-L312 VanDerWaalsContact C-N 3.29Å; A310-L312 PolarHBondContact O-N 3.22Å; L312-N314 VanDerWaalsContact C-N 3.29Å; L312-N314 PolarHBondContact O-N 2.86Å; L312-L315 PolarHBondContact O-N 3.43Å; L312-W316 WeakPolarHBondContact O-CA 3.43Å; L312-W316 PolarHBondContact O-N 3.02Å; L312-V319 HydrophobicContact CB-CG1 4.29Å; L312-V319 HydrophobicContact CD1-CG1 4.14Å
313K46.8Very low63Low81 Ų8167.7 Ų67.735%0.35236%0.36SS..Hα-helixtrans-66.7-25.9177.3-65.6-173.9-179.4-1790114A311A311-K313 PolarHBondContact O-N 2.9Å
314N35.8Very low60Low147 Ų14765.9 Ų65.979%0.78634%0.343SS*.Hα-helixtrans-79.5-24.3177-69.4-13.5000112A311 L312A311-N314 PolarHBondContact O-N 3.02Å; A311-N314 VanDerWaalsContact O-N 3.13Å; L312-N314 VanDerWaalsContact C-N 3.29Å; L312-N314 PolarHBondContact O-N 2.86Å
315L41Very low56.7Low135 Ų13567 Ų6771%0.70736%0.362SS*.Hα-helixtrans-99.5-27.7-179.9-71.4159.6000112.1L312L312-L315 PolarHBondContact O-N 3.43Å
316W50.6Low53.5Low52 Ų5268.5 Ų68.520%0.19739%0.385CS..  trans-143.7104.3177-106.3-41.4000113.1V254 F256 I261 L312 C318 V319V254-W316 HydrophobicContact CG1-CD2 4.42Å; V254-W316 HydrophobicContact CG1-CH2 4.49Å; V254-W316 HydrophobicContact CG1-CZ2 3.38Å; F256-W316 HydrophobicContact CB-CH2 3.6Å; F256-W316 HydrophobicContact CB-CZ2 3.46Å; F256-W316 VanDerWaalsContact CB-CZ2 3.46Å; F256-W316 AromaticContact CD1-CH2 3.86Å; F256-W316 HydrophobicContact CD1-CH2 3.86Å; F256-W316 AromaticContact CD2-CH2 2.99Å; F256-W316 HydrophobicContact CD2-CH2 2.99Å; F256-W316 AromaticContact CD2-CZ2 3.11Å; F256-W316 HydrophobicContact CD2-CZ2 3.11Å; F256-W316 AromaticContact CD2-CZ3 3.99Å; F256-W316 HydrophobicContact CD2-CZ3 3.99Å; F256-W316 HydrophobicContact CE1-CH2 4.25Å; F256-W316 AromaticContact CE2-CH2 3.46Å; F256-W316 HydrophobicContact CE2-CH2 3.46Å; F256-W316 VanDerWaalsContact CE2-CH2 3.46Å; F256-W316 AromaticContact CE2-CZ2 3.92Å; F256-W316 HydrophobicContact CE2-CZ2 3.92Å; F256-W316 HydrophobicContact CE2-CZ3 4.01Å; F256-W316 AromaticContact CG-CH2 3.2Å; F256-W316 HydrophobicContact CG-CH2 3.2Å; F256-W316 AromaticContact CG-CZ2 3.46Å; F256-W316 HydrophobicContact CG-CZ2 3.46Å; F256-W316 VanDerWaalsContact CG-CZ2 3.46Å; F256-W316 HydrophobicContact CG-CZ3 4.38Å; F256-W316 HydrophobicContact CZ-CH2 4.06Å; F256-W316 HydrophobicContact CZ-CZ3 4.47Å; I261-W316 HydrophobicContact CD1-CH2 4.14Å; I261-W316 HydrophobicContact CD1-CZ2 4.47Å; L312-W316 WeakPolarHBondContact O-CA 3.43Å; L312-W316 PolarHBondContact O-N 3.02Å; W316-C318 PolarHBondContact O-N 2.63Å; W316-C318 VanDerWaalsContact O-N 3.08Å; W316-V319 HydrophobicContact CB-CB 4.06Å; W316-V319 HydrophobicContact CB-CG2 3.56Å; W316-V319 HydrophobicContact CD2-CG2 4.15Å; W316-V319 HydrophobicContact CE3-CG2 4.16Å; W316-V319 HydrophobicContact CG-CG2 3.95Å; W316-V319 PolarHBondContact O-N 3.28Å
317P47.3Very low50.4Low108 Ų10868.8 Ų68.870%0.70139%0.391SS*.THydrogen-bonded Turntrans-59.4-24.6177.9-24.133.2000113.9
318C52.1Low47.3Very low28 Ų2877.6 Ų77.619%0.18943%0.43CS..THydrogen-bonded Turntrans-94.513.5-177.7-72.10000114.5V250 T251 C252 V254 W316V250-C318 CarbonylContact C-O 3.48Å; V250-C318 VanDerWaalsContact CA-O 3.23Å; V250-C318 WeakPolarHBondContact CA-O 3.41Å; T251-C318 PolarHBondContact N-O 3.15Å; T251-C318 WeakPolarHBondContact OG1-CA 3.29Å; T251-C318 PolarHBondContact OG1-O 3.27Å; T251-C318 VanDerWaalsContact OG1-O 3.11Å; C252-C318 HydrophobicContact CB-CB 4.12Å; C252-C318 WeakPolarHBondContact CB-SG 3.06Å; C252-C318 WeakPolarHBondContact SG-CB 3.3Å; C252-C318 CovalentContact SG-SG 2.06Å; C252-C318 PolarHBondContact SG-SG 3.36Å; V254-C318 HydrophobicContact CG2-CB 3.84Å; W316-C318 PolarHBondContact O-N 2.63Å; W316-C318 VanDerWaalsContact O-N 3.08Å
319V50.8Low44.4Very low2 Ų273.7 Ų73.71%0.01243%0.427CS..EExtended strand (participates in β ladder)trans-109.7127.9-177.9176.80000111.4H248 V250 L312 W316H248-V319 HydrophobicContact CB-CG1 3.5Å; V250-V319 HydrophobicContact CG1-CG2 3.92Å; L312-V319 HydrophobicContact CB-CG1 4.29Å; L312-V319 HydrophobicContact CD1-CG1 4.14Å; W316-V319 HydrophobicContact CB-CB 4.06Å; W316-V319 HydrophobicContact CB-CG2 3.56Å; W316-V319 HydrophobicContact CD2-CG2 4.15Å; W316-V319 HydrophobicContact CE3-CG2 4.16Å; W316-V319 HydrophobicContact CG-CG2 3.95Å; W316-V319 PolarHBondContact O-N 3.28Å
320H51.1Low41.8Very low70 Ų7073.9 Ų73.932%0.32443%0.432SS..EExtended strand (participates in β ladder)trans-130.1144.5-179.6-72.271.6000111.1H248 A249 T251H248-H320 CarbonylContact C-O 3.54Å; H248-H320 WeakPolarHBondContact CA-O 3.46Å; H248-H320 WeakPolarHBondContact CB-O 3.47Å; A249-H320 PolarHBondContact N-O 3.27Å; A249-H320 PolarHBondContact O-N 3.41Å; T251-H320 HydrophobicContact CG2-CB 4.24Å; T251-H320 WeakPolarHBondContact CG2-ND1 3.26Å
321S46.1Very low39.7Very low22 Ų2273.5 Ų73.515%0.15443%0.429CS..EExtended strand (participates in β ladder)trans-64.4142.6172.546.50000111P247 H248 A331 A332P247-S321 CarbonylContact O-C 3.53Å; P247-S321 WeakPolarHBondContact O-CA 3.46Å; H248-S321 WeakPolarHBondContact ND1-CA 3.38Å; H248-S321 PolarHBondContact ND1-N 3.04Å; S321-A331 PolarHBondContact OG-O 2.94Å; S321-A332 WeakPolarHBondContact OG-CA 3.38Å
322V44.5Very low38.1Very low66 Ų6671.9 Ų71.940%0.442%0.416SS..  trans-123.2113.8175.2-1770000107.2P247 A249P247-V322 PolarHBondContact O-N 2.93Å; A249-V322 HydrophobicContact CB-CG2 3.47Å; A249-V322 VanDerWaalsContact CB-CG2 3.47Å
323F33Very low37.1Very low87 Ų8773 Ų7338%0.38242%0.418SS..  trans-130.6122.8165-144.8-97.1000109.5L88 L246 A331L88-F323 HydrophobicContact CD1-CZ 4.43Å; L88-F323 HydrophobicContact CD2-CZ 4.43Å; L246-F323 HydrophobicContact CD2-CD2 4.08Å; L246-F323 HydrophobicContact CD2-CE2 4.02Å; F323-A331 HydrophobicContact CB-CB 3.78Å
324W31.1Very low36.2Very low94 Ų9473.1 Ų73.136%0.35642%0.421SS..  trans65.3135.9176-146.4-104.8000119.7G326W324-G326 VanDerWaalsContact CD1-N 3.34Å; W324-G326 PolarHBondContact O-N 3.32Å
325P25.8Very low36.2Very low117 Ų11769.4 Ų69.476%0.7640%0.403SS*.THydrogen-bonded Turntrans-82.10.9178.6-7.525.9000115.7
326G28.3Very low35.9Very low59 Ų5965.9 Ų65.961%0.60839%0.387SS*.THydrogen-bonded Turntrans-108.2-5.1-168.200000116.4W324W324-G326 VanDerWaalsContact CD1-N 3.34Å; W324-G326 PolarHBondContact O-N 3.32Å
327T28.6Very low35.1Very low75 Ų7566.7 Ų66.746%0.4640%0.398SS..  trans-120.6101178430000108.2G329T327-G329 VanDerWaalsContact C-N 3.3Å; T327-G329 PolarHBondContact O-N 3.2Å
328H24.2Very low34.4Very low208 Ų20864.3 Ų64.396%0.96338%0.38SS*.SBendtrans-61.397.9164.6-77.6-59.8000108.1
329G27.8Very low33.3Very low51 Ų5166.6 Ų66.653%0.52639%0.392SS..SBendtrans9873.4170.900000115T327T327-G329 VanDerWaalsContact C-N 3.3Å; T327-G329 PolarHBondContact O-N 3.2Å
330G29.3Very low32.1Very low25 Ų2570.9 Ų70.926%0.25842%0.417SS..  trans176.776.7168.200000112.5
331A27.8Very low30.8Very low29 Ų2970.9 Ų70.924%0.2442%0.424CS..  trans-160.290166.100000109.4S321 F323S321-A331 PolarHBondContact OG-O 2.94Å; F323-A331 HydrophobicContact CB-CB 3.78Å
332A27.4Very low29.6Very low25 Ų2574.7 Ų74.721%0.20745%0.445CS..  trans-149.951.9171.500000112.8R4 S321R4-A332 HydrophobicContact CB-CB 4.26Å; R4-A332 WeakPolarHBondContact CD-O 3.4Å; R4-A332 HydrophobicContact CG-CB 4.45Å; R4-A332 PolarHBondContact NH1-O 3.32Å; S321-A332 WeakPolarHBondContact OG-CA 3.38Å
333W29.8Very low28.3Very low53 Ų5375.4 Ų75.420%0.20145%0.448CS..  trans-13582174-58.6109.3000109.8R4 C7 L8 L246R4-W333 HydrophobicContact CB-CH2 4.47Å; R4-W333 HydrophobicContact CB-CZ2 4.45Å; R4-W333 HydrophobicContact CG-CH2 3.88Å; R4-W333 HydrophobicContact CG-CZ2 4.26Å; R4-W333 HydrophobicContact CG-CZ3 4.16Å; C7-W333 HydrophobicContact CB-CH2 3.28Å; C7-W333 HydrophobicContact CB-CZ2 3.21Å; L8-W333 HydrophobicContact CD2-CH2 4.31Å; L8-W333 HydrophobicContact CD2-CZ3 3.79Å; L8-W333 HydrophobicContact CG-CH2 4.02Å; L8-W333 HydrophobicContact CG-CZ3 3.93Å; L246-W333 WeakPolarHBondContact CD1-O 3.24Å
334I27Very low27.9Very low82 Ų8274.4 Ų74.442%0.42145%0.454SS..  -147.40112.2-83.7156.2000105.5R4 L242 L246 F308R4-I334 PolarHBondContact NH1-O 3.14Å; R4-I334 PolarHBondContact NH2-O 3.15Å; R4-I334 PolarHBondContact NH2-OXT 2.68Å; R4-I334 VanDerWaalsContact NH2-OXT 3.14Å; L242-I334 HydrophobicContact CD1-CD1 3.62Å; L246-I334 HydrophobicContact CD1-CB 4.39Å; L246-I334 HydrophobicContact CD1-CD1 3.87Å; L246-I334 HydrophobicContact CD1-CG1 4.39Å; L246-I334 HydrophobicContact CG-CD1 4.17Å; F308-I334 WeakPolarHBondContact O-CG2 3.45Å

Retrieved 334 of 334 residues in 780.5 ms (Link to these results)

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