A0A096NN85_PAPAN Loading...

Peroxisomal biosis factor 11 alpha

AlphaFold DB , UniProt , Accession A0A096NN85, Species PAPAN (Papio anubis, Olive baboon), Gene PEX11A, Length 247 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
1M72.7Confident82.2Confident195 Ų19596.4 Ų96.496%0.96148%0.484SS*.  0-48.80-149169.8-158.400110.9A3 F4 I5M1-A3 PolarHBondContact O-N 3.43Å; M1-F4 WeakPolarHBondContact O-CB 3.42Å; M1-F4 PolarHBondContact O-N 3.31Å; M1-F4 VanDerWaalsContact O-N 3.11Å; M1-I5 HydrophobicContact CG-CD1 4.15Å; M1-I5 PolarHBondContact O-N 2.98Å; M1-I5 VanDerWaalsContact O-N 3.1Å
2D80.3Confident82.6Confident114 Ų11495.5 Ų95.561%0.6148%0.477SS*.Hα-helixtrans-59.1-40-175.5-54.4-26.8000115.7F4 I5 R6D2-F4 VanDerWaalsContact C-N 3.29Å; D2-F4 PolarHBondContact O-N 3.33Å; D2-I5 PolarHBondContact O-N 3.11Å; D2-R6 WeakPolarHBondContact O-CG 3.37Å; D2-R6 PolarHBondContact O-N 3Å
3A75.3Confident83Confident46 Ų4688.2 Ų88.238%0.3844%0.44SS..Hα-helixtrans-61.2-39.117700000112.1M1 F7M1-A3 PolarHBondContact O-N 3.43Å; A3-F7 VanDerWaalsContact O-CB 3.27Å; A3-F7 WeakPolarHBondContact O-CB 3.47Å; A3-F7 PolarHBondContact O-N 3.31Å
4F79Confident83.6Confident127 Ų12790 Ų9056%0.55744%0.44SS*.Hα-helixtrans-70.7-38.1176.9-176.1-100.8000111.7M1 D2 F7 T8M1-F4 WeakPolarHBondContact O-CB 3.42Å; M1-F4 PolarHBondContact O-N 3.31Å; M1-F4 VanDerWaalsContact O-N 3.11Å; D2-F4 VanDerWaalsContact C-N 3.29Å; D2-F4 PolarHBondContact O-N 3.33Å; F4-F7 HydrophobicContact CD2-CD1 4.49Å; F4-F7 PolarHBondContact O-N 3.13Å; F4-T8 HydrophobicContact CD1-CG2 4.2Å; F4-T8 HydrophobicContact CD2-CG2 4.48Å; F4-T8 HydrophobicContact CE1-CG2 3.76Å; F4-T8 HydrophobicContact CE2-CG2 4.07Å; F4-T8 HydrophobicContact CZ-CG2 3.69Å; F4-T8 WeakPolarHBondContact O-CB 3.45Å; F4-T8 WeakPolarHBondContact O-CG2 3.49Å; F4-T8 PolarHBondContact O-N 3.43Å; F4-T8 PolarHBondContact O-OG1 3.27Å
5I82.2Confident84.2Confident75 Ų7584.9 Ų84.939%0.38542%0.415SS..Hα-helixtrans-63.7-47.3174.4-65.1169.8000110.3M1 D2 F7 T8 N9M1-I5 HydrophobicContact CG-CD1 4.15Å; M1-I5 PolarHBondContact O-N 2.98Å; M1-I5 VanDerWaalsContact O-N 3.1Å; D2-I5 PolarHBondContact O-N 3.11Å; I5-F7 VanDerWaalsContact C-N 3.32Å; I5-F7 PolarHBondContact O-N 3.2Å; I5-T8 WeakPolarHBondContact CA-OG1 3.39Å; I5-T8 PolarHBondContact O-N 3.32Å; I5-T8 PolarHBondContact O-OG1 2.9Å; I5-T8 VanDerWaalsContact O-OG1 3.1Å; I5-N9 WeakPolarHBondContact O-CB 3.49Å; I5-N9 VanDerWaalsContact O-CG 3.24Å; I5-N9 PolarHBondContact O-N 3.34Å; I5-N9 PolarHBondContact O-ND2 3.29Å
6R81.9Confident84.7Confident184 Ų18482.3 Ų82.369%0.69440%0.399SS*.Hα-helixtrans-60.6-41.1175.8-71.4-179.9-174.6-155.92.2112.3D2 Q10D2-R6 WeakPolarHBondContact O-CG 3.37Å; D2-R6 PolarHBondContact O-N 3Å; R6-Q10 WeakPolarHBondContact O-CG 3.41Å
7F85.2Confident85.3Confident10 Ų1081.2 Ų81.24%0.04440%0.395CS..Hα-helixtrans-62.6-49.4176168.1-96.1000111.7A3 F4 I5 N9 Q10 G13 R16 L17 M234 V237 A238A3-F7 VanDerWaalsContact O-CB 3.27Å; A3-F7 WeakPolarHBondContact O-CB 3.47Å; A3-F7 PolarHBondContact O-N 3.31Å; F4-F7 HydrophobicContact CD2-CD1 4.49Å; F4-F7 PolarHBondContact O-N 3.13Å; I5-F7 VanDerWaalsContact C-N 3.32Å; I5-F7 PolarHBondContact O-N 3.2Å; F7-N9 VanDerWaalsContact C-N 3.28Å; F7-N9 PolarHBondContact O-N 2.94Å; F7-Q10 PolarHBondContact O-N 2.94Å; F7-Q10 VanDerWaalsContact O-N 3.11Å; F7-G13 VanDerWaalsContact CZ-CA 3.44Å; F7-G13 WeakPolarHBondContact CZ-O 3.37Å; F7-R16 HydrophobicContact CZ-CB 4.42Å; F7-L17 HydrophobicContact CE1-CB 4.49Å; F7-M234 HydrophobicContact CE2-CB 4Å; F7-M234 HydrophobicContact CE2-CG 3.9Å; F7-M234 HydrophobicContact CZ-CB 4.17Å; F7-M234 HydrophobicContact CZ-CG 3.64Å; F7-M234 HydrophobicContact CZ-SD 3.96Å; F7-V237 HydrophobicContact CD2-CB 4.08Å; F7-V237 HydrophobicContact CD2-CG1 3.72Å; F7-V237 HydrophobicContact CE2-CB 4.14Å; F7-V237 HydrophobicContact CE2-CG1 4.05Å; F7-A238 HydrophobicContact CD2-CB 4.44Å
8T85.9Confident85.8Confident33 Ų3380.4 Ų80.420%0.20239%0.39CS..Hα-helixtrans-71.8-19.9-17950.80000113.4F4 I5 Q10 R14F4-T8 HydrophobicContact CD1-CG2 4.2Å; F4-T8 HydrophobicContact CD2-CG2 4.48Å; F4-T8 HydrophobicContact CE1-CG2 3.76Å; F4-T8 HydrophobicContact CE2-CG2 4.07Å; F4-T8 HydrophobicContact CZ-CG2 3.69Å; F4-T8 WeakPolarHBondContact O-CB 3.45Å; F4-T8 WeakPolarHBondContact O-CG2 3.49Å; F4-T8 PolarHBondContact O-N 3.43Å; F4-T8 PolarHBondContact O-OG1 3.27Å; I5-T8 WeakPolarHBondContact CA-OG1 3.39Å; I5-T8 PolarHBondContact O-N 3.32Å; I5-T8 PolarHBondContact O-OG1 2.9Å; I5-T8 VanDerWaalsContact O-OG1 3.1Å; T8-Q10 VanDerWaalsContact C-N 3.26Å; T8-Q10 PolarHBondContact O-N 3.35Å; T8-R14 WeakPolarHBondContact O-CG 3.43Å; T8-R14 PolarHBondContact O-NE 3.38Å; T8-R14 PolarHBondContact O-NH2 2.93Å
9N87.9Confident86.3Confident111 Ų11177.4 Ų77.459%0.59437%0.374SS*.THydrogen-bonded Turntrans-74.1-16170.8-75.8-16.2000113.3I5 F7I5-N9 WeakPolarHBondContact O-CB 3.49Å; I5-N9 VanDerWaalsContact O-CG 3.24Å; I5-N9 PolarHBondContact O-N 3.34Å; I5-N9 PolarHBondContact O-ND2 3.29Å; F7-N9 VanDerWaalsContact C-N 3.28Å; F7-N9 PolarHBondContact O-N 2.94Å
10Q86.7Confident86.8Confident80 Ų8073.9 Ų73.937%0.37436%0.358SS..SBendtrans-89.7132.5175.8-64.1175.335.700110.8R6 F7 T8 Q12 G13 R14 V237R6-Q10 WeakPolarHBondContact O-CG 3.41Å; F7-Q10 PolarHBondContact O-N 2.94Å; F7-Q10 VanDerWaalsContact O-N 3.11Å; T8-Q10 VanDerWaalsContact C-N 3.26Å; T8-Q10 PolarHBondContact O-N 3.35Å; Q10-Q12 PolarHBondContact O-N 2.98Å; Q10-G13 WeakPolarHBondContact O-CA 3.12Å; Q10-G13 PolarHBondContact O-N 3.3Å; Q10-R14 PolarHBondContact O-N 3.31Å; Q10-R14 VanDerWaalsContact O-N 3.11Å; Q10-V237 VanDerWaalsContact OE1-CG1 3.24Å
11T87.6Confident87.2Confident85 Ų8572.7 Ų72.752%0.52136%0.355SS..Hα-helixtrans-55-39.9174.5-50.10000111.7G13 R14 D15 F59T11-G13 VanDerWaalsContact C-N 3.34Å; T11-G13 PolarHBondContact O-N 3Å; T11-R14 PolarHBondContact O-N 3.48Å; T11-D15 PolarHBondContact O-N 3.05Å; T11-F59 HydrophobicContact CG2-CB 4.23Å; T11-F59 HydrophobicContact CG2-CD1 3.73Å; T11-F59 HydrophobicContact CG2-CG 4.38Å
12Q86.1Confident88.3Confident86 Ų8664.5 Ų64.540%0.40232%0.315SS..Hα-helixtrans-64.5-36.6175.5-67.7-168.15.800112.5Q10 D15 R16Q10-Q12 PolarHBondContact O-N 2.98Å; Q12-D15 PolarHBondContact O-N 3.39Å; Q12-R16 WeakPolarHBondContact O-CG 3.38Å; Q12-R16 PolarHBondContact O-N 3.39Å
13G88.9Confident89.1Confident0 Ų059.9 Ų59.90%029%0.289CS..Hα-helixtrans-63.9-43.917600000111.7F7 Q10 T11 R16 L17F7-G13 VanDerWaalsContact CZ-CA 3.44Å; F7-G13 WeakPolarHBondContact CZ-O 3.37Å; Q10-G13 WeakPolarHBondContact O-CA 3.12Å; Q10-G13 PolarHBondContact O-N 3.3Å; T11-G13 VanDerWaalsContact C-N 3.34Å; T11-G13 PolarHBondContact O-N 3Å; G13-R16 PolarHBondContact O-N 3.4Å; G13-L17 PolarHBondContact O-N 3.37Å
14R91.3Very high90.1Very high114 Ų11460 Ų6043%0.4329%0.285SS..Hα-helixtrans-61.9-45175.2-63-177.4-176.3176.42.5112.6T8 Q10 T11 R16 L17 F18 F59T8-R14 WeakPolarHBondContact O-CG 3.43Å; T8-R14 PolarHBondContact O-NE 3.38Å; T8-R14 PolarHBondContact O-NH2 2.93Å; Q10-R14 PolarHBondContact O-N 3.31Å; Q10-R14 VanDerWaalsContact O-N 3.11Å; T11-R14 PolarHBondContact O-N 3.48Å; R14-R16 VanDerWaalsContact C-N 3.32Å; R14-R16 PolarHBondContact O-N 2.72Å; R14-L17 PolarHBondContact O-N 3.49Å; R14-F18 WeakPolarHBondContact O-CD1 3.49Å; R14-F18 PolarHBondContact O-N 3.11Å; R14-F59 HydrophobicContact CB-CE1 4.24Å; R14-F59 HydrophobicContact CB-CE2 4.09Å; R14-F59 HydrophobicContact CB-CZ 3.93Å
15D92.3Very high90.9Very high14 Ų1454.1 Ų54.18%0.07526%0.26CS..Hα-helixtrans-59.7-42.1174.8176.560.1000112T11 Q12 F18 R19 R56 F59T11-D15 PolarHBondContact O-N 3.05Å; Q12-D15 PolarHBondContact O-N 3.39Å; D15-F18 PolarHBondContact O-N 2.86Å; D15-R19 WeakPolarHBondContact O-CB 3.41Å; D15-R19 PolarHBondContact O-N 3.25Å; D15-R56 WeakPolarHBondContact OD1-CB 3.49Å; D15-R56 WeakPolarHBondContact OD1-CG 3.45Å; D15-R56 IonicContact OD1-NE 3.28Å; D15-R56 PolarHBondContact OD1-NE 3.25Å; D15-F59 HydrophobicContact CB-CB 3.86Å; D15-F59 HydrophobicContact CB-CD2 4.47Å; D15-F59 HydrophobicContact CB-CG 4.46Å
16R92.4Very high91.4Very high42 Ų4251.8 Ų51.816%0.15825%0.248CC..Hα-helixtrans-66.1-39.1179.4-68.5-72.3178.3-170.9-6.4112.3F7 Q12 G13 R14 R19 A20 M234F7-R16 HydrophobicContact CZ-CB 4.42Å; Q12-R16 WeakPolarHBondContact O-CG 3.38Å; Q12-R16 PolarHBondContact O-N 3.39Å; G13-R16 PolarHBondContact O-N 3.4Å; R14-R16 VanDerWaalsContact C-N 3.32Å; R14-R16 PolarHBondContact O-N 2.72Å; R16-R19 WeakPolarHBondContact O-CB 3.47Å; R16-R19 PolarHBondContact O-N 2.95Å; R16-A20 PolarHBondContact O-N 3.42Å; R16-M234 HydrophobicContact CB-CG 3.76Å
17L93.8Very high92.1Very high64 Ų6444.6 Ų44.634%0.33522%0.223SC..Hα-helixtrans-61.9-46.3174-175.366.5000110.7F7 G13 R14 R19 A20 T21 M234F7-L17 HydrophobicContact CE1-CB 4.49Å; G13-L17 PolarHBondContact O-N 3.37Å; R14-L17 PolarHBondContact O-N 3.49Å; L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 3.1Å; L17-A20 WeakPolarHBondContact O-CB 3.27Å; L17-A20 PolarHBondContact O-N 3.03Å; L17-T21 PolarHBondContact O-N 3.31Å; L17-T21 PolarHBondContact O-OG1 3.1Å; L17-T21 VanDerWaalsContact O-OG1 3.11Å; L17-M234 HydrophobicContact CD1-SD 4.44Å
18F94.8Very high92.6Very high68 Ų6847.6 Ų47.630%0.29824%0.239SC..Hα-helixtrans-64.1-39.6177.5-81.830.9000111.2R14 D15 A20 T21 Q22 V52 R56 F59R14-F18 WeakPolarHBondContact O-CD1 3.49Å; R14-F18 PolarHBondContact O-N 3.11Å; D15-F18 PolarHBondContact O-N 2.86Å; F18-A20 PolarHBondContact O-N 3.33Å; F18-T21 PolarHBondContact O-N 2.83Å; F18-Q22 WeakPolarHBondContact O-CB 3.42Å; F18-Q22 PolarHBondContact O-N 2.88Å; F18-V52 HydrophobicContact CB-CG1 3.54Å; F18-V52 HydrophobicContact CD2-CG1 4.01Å; F18-V52 HydrophobicContact CG-CG1 3.87Å; F18-V52 WeakPolarHBondContact O-CG1 3.32Å; F18-R56 HydrophobicContact CB-CG 3.53Å; F18-R56 HydrophobicContact CD2-CG 4.38Å; F18-R56 HydrophobicContact CG-CG 4.49Å; F18-F59 HydrophobicContact CD2-CD2 4.19Å; F18-F59 AromaticContact CD2-CE2 3.74Å; F18-F59 HydrophobicContact CD2-CE2 3.74Å; F18-F59 HydrophobicContact CE1-CE2 4.48Å; F18-F59 HydrophobicContact CE2-CD2 4.43Å; F18-F59 AromaticContact CE2-CE2 3.59Å; F18-F59 HydrophobicContact CE2-CE2 3.59Å; F18-F59 HydrophobicContact CE2-CZ 4.44Å; F18-F59 HydrophobicContact CG-CE2 4.26Å; F18-F59 AromaticContact CZ-CE2 3.99Å; F18-F59 HydrophobicContact CZ-CE2 3.99Å
19R94.8Very high93Very high22 Ų2248.2 Ų48.28%0.08324%0.238CC..Hα-helixtrans-59.8-46.1173.8-169.2-176.2177.6109.63.1111D15 R16 L17 Q22 Y23 R56 D204 S230D15-R19 WeakPolarHBondContact O-CB 3.41Å; D15-R19 PolarHBondContact O-N 3.25Å; R16-R19 WeakPolarHBondContact O-CB 3.47Å; R16-R19 PolarHBondContact O-N 2.95Å; L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 3.1Å; R19-Q22 PolarHBondContact O-N 3.29Å; R19-Y23 HydrophobicContact CG-CD2 3.71Å; R19-Y23 HydrophobicContact CG-CE2 3.54Å; R19-Y23 WeakPolarHBondContact O-CD2 3.43Å; R19-Y23 PolarHBondContact O-N 2.92Å; R19-R56 VanDerWaalsContact CG-CZ 3.44Å; R19-D204 IonicContact CZ-OD1 2.68Å; R19-D204 IonicContact NE-OD1 3.69Å; R19-D204 VanDerWaalsContact NH2-CG 3.28Å; R19-D204 IonicContact NH2-OD1 3.57Å; R19-D204 PolarHBondContact NH2-OD1 3.42Å; R19-D204 IonicContact NH2-OD2 2.72Å; R19-D204 PolarHBondContact NH2-OD2 2.97Å; R19-S230 VanDerWaalsContact CD-OG 3.29Å; R19-S230 WeakPolarHBondContact CD-OG 3.49Å; R19-S230 WeakPolarHBondContact CG-OG 3.48Å
20A96.3Very high93.3Very high8 Ų847 Ų477%0.06623%0.225CC..Hα-helixtrans-59.4-50.4176.500000110.9R16 L17 F18 Q22 Y23 T24 L227 M234R16-A20 PolarHBondContact O-N 3.42Å; L17-A20 WeakPolarHBondContact O-CB 3.27Å; L17-A20 PolarHBondContact O-N 3.03Å; F18-A20 PolarHBondContact O-N 3.33Å; A20-Q22 VanDerWaalsContact C-N 3.32Å; A20-Q22 PolarHBondContact O-N 3.32Å; A20-Y23 PolarHBondContact O-N 2.95Å; A20-T24 WeakPolarHBondContact O-CB 3.48Å; A20-T24 PolarHBondContact O-N 3.37Å; A20-T24 PolarHBondContact O-OG1 3.36Å; A20-L227 HydrophobicContact CB-CD1 4.24Å; A20-M234 HydrophobicContact CB-CE 4.11Å
21T95.9Very high93.6Very high48 Ų4847.6 Ų47.629%0.29423%0.23SC..Hα-helixtrans-57.8-43.6177.4-54.50000112.2L17 F18 T24 C25 L48 V52L17-T21 PolarHBondContact O-N 3.31Å; L17-T21 PolarHBondContact O-OG1 3.1Å; L17-T21 VanDerWaalsContact O-OG1 3.11Å; F18-T21 PolarHBondContact O-N 2.83Å; T21-T24 PolarHBondContact O-N 3.11Å; T21-C25 PolarHBondContact O-N 3.02Å; T21-C25 PolarHBondContact O-SG 3.07Å; T21-L48 HydrophobicContact CG2-CD2 4.39Å; T21-V52 HydrophobicContact CG2-CG2 4.21Å
22Q96.1Very high93.9Very high24 Ų2445.3 Ų45.311%0.11222%0.215CC..Hα-helixtrans-59.4-49.7178.3-177.1-172.9-11.700111.4F18 R19 A20 C25 M26 E49 V52 R56F18-Q22 WeakPolarHBondContact O-CB 3.42Å; F18-Q22 PolarHBondContact O-N 2.88Å; R19-Q22 PolarHBondContact O-N 3.29Å; A20-Q22 VanDerWaalsContact C-N 3.32Å; A20-Q22 PolarHBondContact O-N 3.32Å; Q22-C25 WeakPolarHBondContact O-CB 3.44Å; Q22-C25 PolarHBondContact O-N 3.3Å; Q22-M26 PolarHBondContact O-N 3.04Å; Q22-E49 HydrophobicContact CG-CG 3.83Å; Q22-V52 HydrophobicContact CB-CG1 4.22Å; Q22-R56 VanDerWaalsContact OE1-CD 3.29Å
23Y95.9Very high94.1Very high16 Ų1646.2 Ų46.26%0.06322%0.219CC..Hα-helixtrans-72.5-31.6-178.6-76.6-64.5000113R19 A20 M26 L27 N207 I222 G223 G226R19-Y23 HydrophobicContact CG-CD2 3.71Å; R19-Y23 HydrophobicContact CG-CE2 3.54Å; R19-Y23 WeakPolarHBondContact O-CD2 3.43Å; R19-Y23 PolarHBondContact O-N 2.92Å; A20-Y23 PolarHBondContact O-N 2.95Å; Y23-M26 HydrophobicContact CD1-SD 4.13Å; Y23-M26 HydrophobicContact CE1-SD 4.35Å; Y23-M26 PolarHBondContact O-N 2.89Å; Y23-L27 WeakPolarHBondContact O-CB 3.44Å; Y23-L27 PolarHBondContact O-N 3.47Å; Y23-N207 VanDerWaalsContact OH-CG 3.26Å; Y23-N207 PolarHBondContact OH-ND2 2.9Å; Y23-N207 PolarHBondContact OH-OD1 3.24Å; Y23-I222 HydrophobicContact CE1-CG2 4.13Å; Y23-G223 WeakPolarHBondContact CB-O 3.37Å; Y23-G226 VanDerWaalsContact CD2-C 3.41Å; Y23-G226 VanDerWaalsContact CD2-CA 3.45Å; Y23-G226 WeakPolarHBondContact CD2-O 3.37Å; Y23-G226 VanDerWaalsContact CG-CA 3.49Å
24T96.4Very high94.2Very high48 Ų4851.3 Ų51.329%0.29425%0.252SS..Hα-helixtrans-61-44.4167.7-59.10000111.1A20 T21 M26 L27 L28 L227A20-T24 WeakPolarHBondContact O-CB 3.48Å; A20-T24 PolarHBondContact O-N 3.37Å; A20-T24 PolarHBondContact O-OG1 3.36Å; T21-T24 PolarHBondContact O-N 3.11Å; T24-M26 VanDerWaalsContact C-N 3.33Å; T24-M26 PolarHBondContact O-N 3.05Å; T24-L27 PolarHBondContact O-N 3.44Å; T24-L28 HydrophobicContact CG2-CD1 3.88Å; T24-L28 HydrophobicContact CG2-CG 4.21Å; T24-L28 WeakPolarHBondContact O-CB 3.28Å; T24-L28 VanDerWaalsContact O-CG 3.29Å; T24-L28 WeakPolarHBondContact O-CG 3Å; T24-L28 PolarHBondContact O-N 2.91Å; T24-L227 WeakPolarHBondContact OG1-CD1 3.37Å
25C95.5Very high94.2Very high5 Ų551.7 Ų51.73%0.03426%0.257CS..Hα-helixtrans-61.1-43.6176.2-67.40000111.4T21 Q22 L28 R29 L45 E49T21-C25 PolarHBondContact O-N 3.02Å; T21-C25 PolarHBondContact O-SG 3.07Å; Q22-C25 WeakPolarHBondContact O-CB 3.44Å; Q22-C25 PolarHBondContact O-N 3.3Å; C25-L28 PolarHBondContact O-N 3.06Å; C25-R29 WeakPolarHBondContact O-CB 3.14Å; C25-R29 PolarHBondContact O-N 3.13Å; C25-L45 HydrophobicContact CB-CD2 4.41Å; C25-E49 HydrophobicContact CB-CB 4Å
26M94.6Very high94Very high25 Ų2555.6 Ų55.612%0.12329%0.291CS..Hα-helixtrans-61.1-44.8177.1-175.5175-177.100112.1Q22 Y23 T24 R29 Y30 P219 I222Q22-M26 PolarHBondContact O-N 3.04Å; Y23-M26 HydrophobicContact CD1-SD 4.13Å; Y23-M26 HydrophobicContact CE1-SD 4.35Å; Y23-M26 PolarHBondContact O-N 2.89Å; T24-M26 VanDerWaalsContact C-N 3.33Å; T24-M26 PolarHBondContact O-N 3.05Å; M26-R29 WeakPolarHBondContact O-CB 3.45Å; M26-R29 PolarHBondContact O-N 2.85Å; M26-Y30 PolarHBondContact O-N 3.42Å; M26-Y30 VanDerWaalsContact O-N 3.07Å; M26-P219 HydrophobicContact CE-CB 3.84Å; M26-P219 WeakPolarHBondContact CE-O 3.32Å; M26-I222 HydrophobicContact CE-CB 3.74Å; M26-I222 HydrophobicContact CE-CD1 4.36Å; M26-I222 HydrophobicContact CE-CG2 3.68Å; M26-I222 HydrophobicContact SD-CB 4.46Å; M26-I222 HydrophobicContact SD-CG2 4.06Å
27L95.5Very high93.7Very high33 Ų3356.4 Ų56.417%0.17331%0.312CS..Hα-helixtrans-65.7-49.1177.5178.760.7000111.7Y23 T24 R29 Y30 L31 G220 L224 L227Y23-L27 WeakPolarHBondContact O-CB 3.44Å; Y23-L27 PolarHBondContact O-N 3.47Å; T24-L27 PolarHBondContact O-N 3.44Å; L27-R29 VanDerWaalsContact C-N 3.27Å; L27-R29 PolarHBondContact O-N 3Å; L27-Y30 PolarHBondContact O-N 3.34Å; L27-L31 HydrophobicContact CD1-CD1 4.26Å; L27-L31 HydrophobicContact CD1-CG 4.38Å; L27-L31 HydrophobicContact CG-CD1 4.19Å; L27-L31 WeakPolarHBondContact O-CG 3.29Å; L27-L31 PolarHBondContact O-N 3.02Å; L27-G220 WeakPolarHBondContact CD1-O 3.24Å; L27-L224 HydrophobicContact CD1-CB 4.46Å; L27-L224 HydrophobicContact CD2-CD1 4.34Å; L27-L227 HydrophobicContact CD2-CD2 4.41Å
28L94.9Very high93.7Very high73 Ų7357.9 Ų57.938%0.38232%0.316SS..Hα-helixtrans-61.1-38.7177.7-71.8176.9000111.5T24 C25 L31 L32 L45T24-L28 HydrophobicContact CG2-CD1 3.88Å; T24-L28 HydrophobicContact CG2-CG 4.21Å; T24-L28 WeakPolarHBondContact O-CB 3.28Å; T24-L28 VanDerWaalsContact O-CG 3.29Å; T24-L28 WeakPolarHBondContact O-CG 3Å; T24-L28 PolarHBondContact O-N 2.91Å; C25-L28 PolarHBondContact O-N 3.06Å; L28-L31 PolarHBondContact O-N 2.92Å; L28-L32 VanDerWaalsContact O-CB 3.29Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 3.39Å; L28-L45 HydrophobicContact CB-CD1 3.81Å; L28-L45 HydrophobicContact CD1-CD2 4.43Å
29R94.6Very high93.6Very high47 Ų4760.1 Ų60.118%0.17733%0.327CS..Hα-helixtrans-58.7-51.4174.9-170.2-17983.4-160.55.2110.5C25 M26 L27 L31 L32 E33 V42 E49C25-R29 WeakPolarHBondContact O-CB 3.14Å; C25-R29 PolarHBondContact O-N 3.13Å; M26-R29 WeakPolarHBondContact O-CB 3.45Å; M26-R29 PolarHBondContact O-N 2.85Å; L27-R29 VanDerWaalsContact C-N 3.27Å; L27-R29 PolarHBondContact O-N 3Å; R29-L31 VanDerWaalsContact C-N 3.3Å; R29-L31 PolarHBondContact O-N 3.42Å; R29-L32 PolarHBondContact O-N 3.49Å; R29-E33 VanDerWaalsContact O-CB 3.27Å; R29-E33 WeakPolarHBondContact O-CB 3.49Å; R29-E33 PolarHBondContact O-N 3.23Å; R29-V42 HydrophobicContact CG-CG1 4.04Å; R29-E49 IonicContact CZ-OE2 3.18Å; R29-E49 IonicContact NH1-OE1 2.8Å; R29-E49 PolarHBondContact NH1-OE1 3.01Å; R29-E49 IonicContact NH1-OE2 3.65Å; R29-E49 PolarHBondContact NH1-OE2 3.3Å
30Y94Very high93.5Very high85 Ų8567.6 Ų67.633%0.33336%0.36SS..Hα-helixtrans-58.6-39.5178.8176-104.9000112.9M26 L27 P34 N218M26-Y30 PolarHBondContact O-N 3.42Å; M26-Y30 VanDerWaalsContact O-N 3.07Å; L27-Y30 PolarHBondContact O-N 3.34Å; Y30-P34 VanDerWaalsContact O-CD 3.29Å; Y30-P34 WeakPolarHBondContact O-CD 3.46Å; Y30-N218 VanDerWaalsContact CD2-OD1 3.24Å; Y30-N218 WeakPolarHBondContact CD2-OD1 3.37Å; Y30-N218 WeakPolarHBondContact CE2-ND2 3.19Å; Y30-N218 WeakPolarHBondContact CE2-OD1 3.48Å; Y30-N218 PolarHBondContact OH-ND2 2.85Å
31L93.8Very high93.4Very high92 Ų9270.2 Ų70.248%0.48238%0.376SS..Hα-helixtrans-74.7-23.6179.4-65.9174.9000114.2L27 L28 R29L27-L31 HydrophobicContact CD1-CD1 4.26Å; L27-L31 HydrophobicContact CD1-CG 4.38Å; L27-L31 HydrophobicContact CG-CD1 4.19Å; L27-L31 WeakPolarHBondContact O-CG 3.29Å; L27-L31 PolarHBondContact O-N 3.02Å; L28-L31 PolarHBondContact O-N 2.92Å; R29-L31 VanDerWaalsContact C-N 3.3Å; R29-L31 PolarHBondContact O-N 3.42Å
32L93.4Very high93.3Very high37 Ų3768.5 Ų68.519%0.19437%0.365CS..Hα-helixtrans-100.7-22.5-176.5-67.2176.1000113.4L28 R29 P34 K35 K38 V41 V42 L45L28-L32 VanDerWaalsContact O-CB 3.29Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 3.39Å; R29-L32 PolarHBondContact O-N 3.49Å; L32-P34 VanDerWaalsContact C-CD 3.47Å; L32-P34 VanDerWaalsContact C-N 3.33Å; L32-K35 HydrophobicContact CD2-CD 4.25Å; L32-K35 PolarHBondContact O-N 3.35Å; L32-K38 HydrophobicContact CB-CB 4.44Å; L32-K38 HydrophobicContact CD2-CG 4.43Å; L32-V41 HydrophobicContact CD1-CG1 3.99Å; L32-V42 HydrophobicContact CB-CG2 4.09Å; L32-L45 HydrophobicContact CD1-CD1 4.08Å
33E91.8Very high93.2Very high105 Ų10573.2 Ų73.249%0.49139%0.388SS..THydrogen-bonded Turntrans-57.5-35.5-179.9-165.2155.3-134.500113.6R29 K35 K46R29-E33 VanDerWaalsContact O-CB 3.27Å; R29-E33 WeakPolarHBondContact O-CB 3.49Å; R29-E33 PolarHBondContact O-N 3.23Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 2.89Å; E33-K46 IonicContact OE1-NZ 3.79Å
34P90.8Very high93.1Very high107 Ų10780 Ų8070%0.69542%0.418SS*.THydrogen-bonded Turntrans-76.5-9.6174.5-17.832.7000115.1Y30 L32Y30-P34 VanDerWaalsContact O-CD 3.29Å; Y30-P34 WeakPolarHBondContact O-CD 3.46Å; L32-P34 VanDerWaalsContact C-CD 3.47Å; L32-P34 VanDerWaalsContact C-N 3.33Å
35K91.4Very high93.1Very high123 Ų12378.8 Ų78.854%0.53541%0.41SS..SBendtrans-95.7122.5-172.7-61.5-172.3-177.6-174.90111L32 E33 K38L32-K35 HydrophobicContact CD2-CD 4.25Å; L32-K35 PolarHBondContact O-N 3.35Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 2.89Å; K35-K38 HydrophobicContact CB-CG 4.09Å
36A86.4Confident93Very high96 Ų9682.5 Ų82.579%0.79343%0.425SS*.THydrogen-bonded Turntrans-58.4138.5176.200000112.2
37G87.6Confident93.1Very high58 Ų5889.4 Ų89.460%0.59846%0.455SS*.THydrogen-bonded Turntrans82.19.8175.300000114.8E39G37-E39 WeakPolarHBondContact CA-OE2 3.41Å; G37-E39 PolarHBondContact N-OE1 3.39Å; G37-E39 PolarHBondContact N-OE2 2.7Å
38K92.8Very high93.1Very high96 Ų9691.6 Ų91.642%0.41747%0.466SS..  trans-107.58.5177.8-60.5-59.7-178-1720113.7L32 K35 K40 V41 V42L32-K38 HydrophobicContact CB-CB 4.44Å; L32-K38 HydrophobicContact CD2-CG 4.43Å; K35-K38 HydrophobicContact CB-CG 4.09Å; K38-K40 VanDerWaalsContact C-N 3.32Å; K38-K40 PolarHBondContact O-N 3.12Å; K38-V41 WeakPolarHBondContact O-CA 3.47Å; K38-V41 WeakPolarHBondContact O-CB 3.48Å; K38-V41 PolarHBondContact O-N 2.86Å; K38-V42 PolarHBondContact O-N 3.34Å
39E93.1Very high93Very high115 Ų11589.6 Ų89.654%0.53746%0.455SS..Hα-helixtrans-59.5-42.2-175.7-55.674.9-162.200111.3G37 V41 V42 M43G37-E39 WeakPolarHBondContact CA-OE2 3.41Å; G37-E39 PolarHBondContact N-OE1 3.39Å; G37-E39 PolarHBondContact N-OE2 2.7Å; E39-V41 VanDerWaalsContact C-N 3.29Å; E39-V41 PolarHBondContact O-N 3.29Å; E39-V42 PolarHBondContact O-N 3.05Å; E39-M43 WeakPolarHBondContact O-CG 3.41Å; E39-M43 PolarHBondContact O-N 3.33Å
40K93.1Very high92.9Very high178 Ų17891 Ų9177%0.77447%0.472SS*.Hα-helixtrans-59.5-39175.3-69.1-177.1-179.1176.60112.1K38 K44K38-K40 VanDerWaalsContact C-N 3.32Å; K38-K40 PolarHBondContact O-N 3.12Å; K40-K44 WeakPolarHBondContact O-CG 3.46Å; K40-K44 PolarHBondContact O-N 2.95Å
41V93.1Very high92.9Very high64 Ų6490.7 Ų90.739%0.38848%0.482SS..Hα-helixtrans-71.7-44.4178.8-179.70000110.1L32 K38 E39 M43 K44 L45L32-V41 HydrophobicContact CD1-CG1 3.99Å; K38-V41 WeakPolarHBondContact O-CA 3.47Å; K38-V41 WeakPolarHBondContact O-CB 3.48Å; K38-V41 PolarHBondContact O-N 2.86Å; E39-V41 VanDerWaalsContact C-N 3.29Å; E39-V41 PolarHBondContact O-N 3.29Å; V41-M43 VanDerWaalsContact C-N 3.28Å; V41-M43 PolarHBondContact O-N 3.44Å; V41-K44 WeakPolarHBondContact O-CB 3.42Å; V41-K44 PolarHBondContact O-N 3.11Å; V41-K44 VanDerWaalsContact O-N 3.13Å; V41-L45 HydrophobicContact CG1-CD1 4.2Å; V41-L45 HydrophobicContact CG1-CG 4.4Å; V41-L45 WeakPolarHBondContact O-CG 3.33Å; V41-L45 PolarHBondContact O-N 3.02Å
42V94.1Very high92.9Very high11 Ų1187 Ų877%0.06746%0.464CS..Hα-helixtrans-55.6-43.5175.1165.10000111.4R29 L32 K38 E39 L45 K46R29-V42 HydrophobicContact CG-CG1 4.04Å; L32-V42 HydrophobicContact CB-CG2 4.09Å; K38-V42 PolarHBondContact O-N 3.34Å; E39-V42 PolarHBondContact O-N 3.05Å; V42-L45 PolarHBondContact O-N 3.33Å; V42-K46 HydrophobicContact CG1-CD 4.43Å; V42-K46 WeakPolarHBondContact O-CG 3.48Å; V42-K46 PolarHBondContact O-N 3.26Å
43M94.4Very high92.7Very high123 Ų12387.1 Ų87.161%0.60647%0.468SS*.Hα-helixtrans-65.6-40.8177-71.3-59.5-70.400112.8E39 V41 L45 K46 K47E39-M43 WeakPolarHBondContact O-CG 3.41Å; E39-M43 PolarHBondContact O-N 3.33Å; V41-M43 VanDerWaalsContact C-N 3.28Å; V41-M43 PolarHBondContact O-N 3.44Å; M43-L45 VanDerWaalsContact C-N 3.35Å; M43-K46 PolarHBondContact O-N 3.07Å; M43-K46 HydrophobicContact SD-CD 4.3Å; M43-K47 PolarHBondContact O-N 3.23Å
44K95.1Very high92.5Very high158 Ų15885.5 Ų85.569%0.68747%0.465SS*.Hα-helixtrans-61.6-42.9173.5-72.6-180179.8-173.50111.5K40 V41 K47 L48K40-K44 WeakPolarHBondContact O-CG 3.46Å; K40-K44 PolarHBondContact O-N 2.95Å; V41-K44 WeakPolarHBondContact O-CB 3.42Å; V41-K44 PolarHBondContact O-N 3.11Å; V41-K44 VanDerWaalsContact O-N 3.13Å; K44-K47 PolarHBondContact O-N 3.24Å; K44-L48 PolarHBondContact O-N 3.41Å
45L95Very high92.5Very high23 Ų2381.2 Ų81.212%0.1244%0.44CS..Hα-helixtrans-63-43.7176.7-69.6173.5000111.9C25 L28 L32 V41 V42 M43 K47 L48 E49C25-L45 HydrophobicContact CB-CD2 4.41Å; L28-L45 HydrophobicContact CB-CD1 3.81Å; L28-L45 HydrophobicContact CD1-CD2 4.43Å; L32-L45 HydrophobicContact CD1-CD1 4.08Å; V41-L45 HydrophobicContact CG1-CD1 4.2Å; V41-L45 HydrophobicContact CG1-CG 4.4Å; V41-L45 WeakPolarHBondContact O-CG 3.33Å; V41-L45 PolarHBondContact O-N 3.02Å; V42-L45 PolarHBondContact O-N 3.33Å; M43-L45 VanDerWaalsContact C-N 3.35Å; L45-K47 VanDerWaalsContact C-N 3.33Å; L45-K47 PolarHBondContact O-N 3.46Å; L45-L48 PolarHBondContact O-N 3.18Å; L45-E49 VanDerWaalsContact O-CB 3.32Å; L45-E49 WeakPolarHBondContact O-CB 3.37Å; L45-E49 PolarHBondContact O-N 3.26Å
46K94.8Very high92.5Very high83 Ų8376.1 Ų76.136%0.36142%0.418SS..Hα-helixtrans-58.4-43.7174.9-75.9179.5-178.5176.10111.7E33 V42 M43 S50E33-K46 IonicContact OE1-NZ 3.79Å; V42-K46 HydrophobicContact CG1-CD 4.43Å; V42-K46 WeakPolarHBondContact O-CG 3.48Å; V42-K46 PolarHBondContact O-N 3.26Å; M43-K46 PolarHBondContact O-N 3.07Å; M43-K46 HydrophobicContact SD-CD 4.3Å; K46-S50 WeakPolarHBondContact O-CB 3.17Å; K46-S50 PolarHBondContact O-N 2.79Å
47K95.8Very high92.6Very high170 Ų17074.1 Ų74.174%0.73939%0.391SS*.Hα-helixtrans-64-44.7177.7-171.5176.6-178.8178.70111.6M43 K44 L45 S50 S51M43-K47 PolarHBondContact O-N 3.23Å; K44-K47 PolarHBondContact O-N 3.24Å; L45-K47 VanDerWaalsContact C-N 3.33Å; L45-K47 PolarHBondContact O-N 3.46Å; K47-S50 PolarHBondContact O-N 3.33Å; K47-S51 WeakPolarHBondContact O-CB 3.48Å; K47-S51 PolarHBondContact O-N 3.36Å
48L94.6Very high92.6Very high79 Ų7978.7 Ų78.741%0.41439%0.39SS..Hα-helixtrans-63.8-46.7177.9-177.859000111.6T21 K44 L45 S50 S51 V52T21-L48 HydrophobicContact CG2-CD2 4.39Å; K44-L48 PolarHBondContact O-N 3.41Å; L45-L48 PolarHBondContact O-N 3.18Å; L48-S50 VanDerWaalsContact C-N 3.32Å; L48-S50 PolarHBondContact O-N 3.32Å; L48-S51 PolarHBondContact O-N 3.13Å; L48-V52 HydrophobicContact CD1-CG2 3.87Å; L48-V52 HydrophobicContact CG-CG2 4.3Å; L48-V52 WeakPolarHBondContact O-CB 3.48Å; L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.46Å; L48-V52 PolarHBondContact O-N 3.45Å
49E94Very high92.4Very high32 Ų3276.5 Ų76.515%0.1538%0.381CS..Hα-helixtrans-55.3-46.2176.3-174.8-168.4148.500111.6Q22 C25 R29 L45 S53Q22-E49 HydrophobicContact CG-CG 3.83Å; C25-E49 HydrophobicContact CB-CB 4Å; R29-E49 IonicContact CZ-OE2 3.18Å; R29-E49 IonicContact NH1-OE1 2.8Å; R29-E49 PolarHBondContact NH1-OE1 3.01Å; R29-E49 IonicContact NH1-OE2 3.65Å; R29-E49 PolarHBondContact NH1-OE2 3.3Å; L45-E49 VanDerWaalsContact O-CB 3.32Å; L45-E49 WeakPolarHBondContact O-CB 3.37Å; L45-E49 PolarHBondContact O-N 3.26Å; E49-S53 WeakPolarHBondContact O-CB 3.03Å; E49-S53 PolarHBondContact O-N 3.28Å
50S92.2Very high92Very high75 Ų7572.4 Ų72.452%0.52436%0.36SS..Hα-helixtrans-64.5-44.7177.9-177.60000112.6K46 K47 L48 S53 T54K46-S50 WeakPolarHBondContact O-CB 3.17Å; K46-S50 PolarHBondContact O-N 2.79Å; K47-S50 PolarHBondContact O-N 3.33Å; L48-S50 VanDerWaalsContact C-N 3.32Å; L48-S50 PolarHBondContact O-N 3.32Å; S50-S53 PolarHBondContact O-N 3.42Å; S50-T54 PolarHBondContact O-N 3.45Å; S50-T54 PolarHBondContact O-OG1 3.11Å
51S93.2Very high91.7Very high80 Ų8066.5 Ų66.556%0.55934%0.337SS*.Hα-helixtrans-61.2-48.5177.8-171.40000111.4K47 L48 T54 G55K47-S51 WeakPolarHBondContact O-CB 3.48Å; K47-S51 PolarHBondContact O-N 3.36Å; L48-S51 PolarHBondContact O-N 3.13Å; S51-T54 PolarHBondContact O-N 3.21Å; S51-G55 PolarHBondContact O-N 3.44Å
52V93.8Very high91.3Very high14 Ų1465.4 Ų65.49%0.08534%0.338CS..Hα-helixtrans-67.7-41.8-179.2176.10000111F18 T21 Q22 L48 T54 G55 R56F18-V52 HydrophobicContact CB-CG1 3.54Å; F18-V52 HydrophobicContact CD2-CG1 4.01Å; F18-V52 HydrophobicContact CG-CG1 3.87Å; F18-V52 WeakPolarHBondContact O-CG1 3.32Å; T21-V52 HydrophobicContact CG2-CG2 4.21Å; Q22-V52 HydrophobicContact CB-CG1 4.22Å; L48-V52 HydrophobicContact CD1-CG2 3.87Å; L48-V52 HydrophobicContact CG-CG2 4.3Å; L48-V52 WeakPolarHBondContact O-CB 3.48Å; L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.46Å; L48-V52 PolarHBondContact O-N 3.45Å; V52-T54 VanDerWaalsContact C-N 3.25Å; V52-T54 PolarHBondContact O-N 2.9Å; V52-G55 PolarHBondContact O-N 3.33Å; V52-G55 VanDerWaalsContact O-N 3.11Å; V52-R56 WeakPolarHBondContact O-CG 3.3Å; V52-R56 PolarHBondContact O-N 2.98Å
53S90.4Very high91.1Very high40 Ų4066.1 Ų66.128%0.2834%0.342SS..Hα-helixtrans-57-39.5174.4179.30000112.2E49 S50 R56 K57E49-S53 WeakPolarHBondContact O-CB 3.03Å; E49-S53 PolarHBondContact O-N 3.28Å; S50-S53 PolarHBondContact O-N 3.42Å; S53-R56 PolarHBondContact O-N 3.37Å; S53-K57 PolarHBondContact O-N 3.06Å
54T88Confident91Very high70 Ų7062 Ų6243%0.42932%0.324SS..Hα-helixtrans-66.6-46.5174.5-56.80000111.2S50 S51 V52 R56 K57S50-T54 PolarHBondContact O-N 3.45Å; S50-T54 PolarHBondContact O-OG1 3.11Å; S51-T54 PolarHBondContact O-N 3.21Å; V52-T54 VanDerWaalsContact C-N 3.25Å; V52-T54 PolarHBondContact O-N 2.9Å; T54-R56 VanDerWaalsContact C-N 3.27Å; T54-R56 PolarHBondContact O-N 3.5Å; T54-K57 WeakPolarHBondContact O-CB 3.21Å; T54-K57 PolarHBondContact O-N 2.94Å
55G90.3Very high90.8Very high17 Ų1759 Ų5918%0.17532%0.318CS..Hα-helixtrans-56.2-38.7175.300000113.3S51 V52 K57 W58 F59S51-G55 PolarHBondContact O-N 3.44Å; V52-G55 PolarHBondContact O-N 3.33Å; V52-G55 VanDerWaalsContact O-N 3.11Å; G55-K57 VanDerWaalsContact C-N 3.31Å; G55-K57 PolarHBondContact O-N 2.89Å; G55-W58 WeakPolarHBondContact O-CB 3.4Å; G55-W58 PolarHBondContact O-N 3.35Å; G55-F59 WeakPolarHBondContact O-CD2 3.41Å; G55-F59 PolarHBondContact O-N 3.32Å
56R91.1Very high90.6Very high17 Ų1762.5 Ų62.56%0.06433%0.334CS..Hα-helixtrans-63.2-32.9176.2-68.9-179.466.8-148-8.3113.8D15 F18 R19 Q22 V52 S53 T54 W58 F59 R60D15-R56 WeakPolarHBondContact OD1-CB 3.49Å; D15-R56 WeakPolarHBondContact OD1-CG 3.45Å; D15-R56 IonicContact OD1-NE 3.28Å; D15-R56 PolarHBondContact OD1-NE 3.25Å; F18-R56 HydrophobicContact CB-CG 3.53Å; F18-R56 HydrophobicContact CD2-CG 4.38Å; F18-R56 HydrophobicContact CG-CG 4.49Å; R19-R56 VanDerWaalsContact CG-CZ 3.44Å; Q22-R56 VanDerWaalsContact OE1-CD 3.29Å; V52-R56 WeakPolarHBondContact O-CG 3.3Å; V52-R56 PolarHBondContact O-N 2.98Å; S53-R56 PolarHBondContact O-N 3.37Å; T54-R56 VanDerWaalsContact C-N 3.27Å; T54-R56 PolarHBondContact O-N 3.5Å; R56-W58 VanDerWaalsContact C-N 3.25Å; R56-W58 PolarHBondContact O-N 2.85Å; R56-F59 PolarHBondContact O-N 2.98Å; R56-R60 WeakPolarHBondContact O-CG 3.39Å; R56-R60 PolarHBondContact O-N 3Å; R56-R60 VanDerWaalsContact O-N 3.07Å
57K87.8Confident90.4Very high54 Ų5458.8 Ų58.824%0.23532%0.319CS..Hα-helixtrans-60.6-40176-67.9-179.9176.5-179.60111.1S53 T54 G55 R60 L61S53-K57 PolarHBondContact O-N 3.06Å; T54-K57 WeakPolarHBondContact O-CB 3.21Å; T54-K57 PolarHBondContact O-N 2.94Å; G55-K57 VanDerWaalsContact C-N 3.31Å; G55-K57 PolarHBondContact O-N 2.89Å; K57-R60 PolarHBondContact O-N 3.25Å; K57-L61 PolarHBondContact O-N 2.87Å
58W87.3Confident90.2Very high153 Ų15354.9 Ų54.958%0.5831%0.305SS*.Hα-helixtrans-61.9-46.7176.3-71.891.1000112.3G55 R56 R60 L61 W104G55-W58 WeakPolarHBondContact O-CB 3.4Å; G55-W58 PolarHBondContact O-N 3.35Å; R56-W58 VanDerWaalsContact C-N 3.25Å; R56-W58 PolarHBondContact O-N 2.85Å; W58-R60 PolarHBondContact O-N 2.68Å; W58-L61 HydrophobicContact CE3-CD1 4.28Å; W58-L61 WeakPolarHBondContact O-CB 3.29Å; W58-L61 PolarHBondContact O-N 3.35Å; W58-W104 HydrophobicContact CE3-CZ2 4.39Å; W58-W104 AromaticContact CH2-CZ2 3.98Å; W58-W104 HydrophobicContact CH2-CZ2 3.98Å; W58-W104 HydrophobicContact CZ2-CZ2 4.16Å; W58-W104 HydrophobicContact CZ3-CZ2 4.09Å
59F88.6Confident90.1Very high50 Ų5055.7 Ų55.722%0.21931%0.307CS..Hα-helixtrans-68.4-18.7178.1-64.7-52.1000114.1T11 R14 D15 F18 G55 R56T11-F59 HydrophobicContact CG2-CB 4.23Å; T11-F59 HydrophobicContact CG2-CD1 3.73Å; T11-F59 HydrophobicContact CG2-CG 4.38Å; R14-F59 HydrophobicContact CB-CE1 4.24Å; R14-F59 HydrophobicContact CB-CE2 4.09Å; R14-F59 HydrophobicContact CB-CZ 3.93Å; D15-F59 HydrophobicContact CB-CB 3.86Å; D15-F59 HydrophobicContact CB-CD2 4.47Å; D15-F59 HydrophobicContact CB-CG 4.46Å; F18-F59 HydrophobicContact CD2-CD2 4.19Å; F18-F59 AromaticContact CD2-CE2 3.74Å; F18-F59 HydrophobicContact CD2-CE2 3.74Å; F18-F59 HydrophobicContact CE1-CE2 4.48Å; F18-F59 HydrophobicContact CE2-CD2 4.43Å; F18-F59 AromaticContact CE2-CE2 3.59Å; F18-F59 HydrophobicContact CE2-CE2 3.59Å; F18-F59 HydrophobicContact CE2-CZ 4.44Å; F18-F59 HydrophobicContact CG-CE2 4.26Å; F18-F59 AromaticContact CZ-CE2 3.99Å; F18-F59 HydrophobicContact CZ-CE2 3.99Å; G55-F59 WeakPolarHBondContact O-CD2 3.41Å; G55-F59 PolarHBondContact O-N 3.32Å; R56-F59 PolarHBondContact O-N 2.98Å
60R86.5Confident89.9Confident30 Ų3055.5 Ų55.511%0.11331%0.31CS..Hα-helixtrans-85.5-14.5176.7-71.8-173-62.2140.114.4113.5R56 K57 W58 G62 N63 Y96 D100R56-R60 WeakPolarHBondContact O-CG 3.39Å; R56-R60 PolarHBondContact O-N 3Å; R56-R60 VanDerWaalsContact O-N 3.07Å; K57-R60 PolarHBondContact O-N 3.25Å; W58-R60 PolarHBondContact O-N 2.68Å; R60-G62 PolarHBondContact O-N 2.91Å; R60-N63 WeakPolarHBondContact CA-ND2 3.5Å; R60-N63 VanDerWaalsContact O-CB 3.25Å; R60-N63 WeakPolarHBondContact O-CB 3.38Å; R60-N63 PolarHBondContact O-N 3.07Å; R60-N63 VanDerWaalsContact O-N 3.08Å; R60-Y96 PolarHBondContact NH1-OH 3.39Å; R60-D100 VanDerWaalsContact CZ-CG 3.43Å; R60-D100 IonicContact CZ-OD1 3.45Å; R60-D100 IonicContact CZ-OD2 2.79Å; R60-D100 IonicContact NE-OD2 3.44Å; R60-D100 IonicContact NH1-OD1 3.58Å; R60-D100 PolarHBondContact NH1-OD1 2.99Å; R60-D100 IonicContact NH1-OD2 3.98Å; R60-D100 PolarHBondContact NH1-OD2 3.42Å; R60-D100 VanDerWaalsContact NH2-CG 3.28Å; R60-D100 IonicContact NH2-OD1 2.68Å; R60-D100 PolarHBondContact NH2-OD1 3.46Å; R60-D100 IonicContact NH2-OD2 3.62Å; R60-D100 PolarHBondContact NH2-OD2 2.99Å
61L86.1Confident89.8Confident53 Ų5352.9 Ų52.928%0.27729%0.291SS..THydrogen-bonded Turntrans-60.1133.7171.3-63.8175.5000109.4K57 W58 N63 T101 W104K57-L61 PolarHBondContact O-N 2.87Å; W58-L61 HydrophobicContact CE3-CD1 4.28Å; W58-L61 WeakPolarHBondContact O-CB 3.29Å; W58-L61 PolarHBondContact O-N 3.35Å; L61-N63 VanDerWaalsContact C-N 3.32Å; L61-N63 PolarHBondContact O-N 3.46Å; L61-T101 HydrophobicContact CD2-CG2 4.24Å; L61-W104 HydrophobicContact CD1-CD2 4.13Å; L61-W104 HydrophobicContact CD1-CE3 4.25Å; L61-W104 HydrophobicContact CD1-CH2 3.91Å; L61-W104 HydrophobicContact CD1-CZ2 3.76Å; L61-W104 HydrophobicContact CD1-CZ3 4.15Å; L61-W104 HydrophobicContact CD2-CD2 3.92Å; L61-W104 HydrophobicContact CD2-CE3 3.79Å; L61-W104 HydrophobicContact CD2-CG 4.32Å; L61-W104 HydrophobicContact CD2-CZ3 4.27Å
62G84.8Confident89.6Confident41 Ų4154.8 Ų54.842%0.42329%0.292SS..THydrogen-bonded Turntrans86.7-12-17500000115.1R60 V64 V65R60-G62 PolarHBondContact O-N 2.91Å; G62-V64 PolarHBondContact O-N 3.35Å; G62-V65 WeakPolarHBondContact O-CB 3.18Å; G62-V65 PolarHBondContact O-N 3.5Å
63N89.3Confident89.3Confident27 Ų2759.5 Ų59.514%0.14431%0.313CS..Hα-helixtrans-63.1-16.7175.6-77.9-13.1000113.8R60 L61 V65 H66 A67 F97R60-N63 WeakPolarHBondContact CA-ND2 3.5Å; R60-N63 VanDerWaalsContact O-CB 3.25Å; R60-N63 WeakPolarHBondContact O-CB 3.38Å; R60-N63 PolarHBondContact O-N 3.07Å; R60-N63 VanDerWaalsContact O-N 3.08Å; L61-N63 VanDerWaalsContact C-N 3.32Å; L61-N63 PolarHBondContact O-N 3.46Å; N63-V65 VanDerWaalsContact C-N 3.25Å; N63-V65 PolarHBondContact O-N 2.86Å; N63-H66 PolarHBondContact O-N 3.03Å; N63-A67 PolarHBondContact O-N 3.21Å; N63-F97 HydrophobicContact CB-CD1 3.77Å; N63-F97 HydrophobicContact CB-CD2 3.93Å; N63-F97 HydrophobicContact CB-CE1 3.55Å; N63-F97 HydrophobicContact CB-CE2 3.69Å; N63-F97 HydrophobicContact CB-CG 3.98Å; N63-F97 HydrophobicContact CB-CZ 3.52Å
64V91.9Very high89Confident36 Ų3657.8 Ų57.822%0.21830%0.301CS..Hα-helixtrans-57.8-4017069.70000111.4G62 A67 I68 V94 F97 I98G62-V64 PolarHBondContact O-N 3.35Å; V64-A67 PolarHBondContact O-N 3.37Å; V64-I68 HydrophobicContact CG2-CD1 4.32Å; V64-I68 WeakPolarHBondContact O-CG1 3.44Å; V64-I68 PolarHBondContact O-N 3.48Å; V64-V94 HydrophobicContact CG2-CG1 3.92Å; V64-F97 HydrophobicContact CB-CB 4.07Å; V64-I98 HydrophobicContact CG2-CD1 4.45Å; V64-I98 HydrophobicContact CG2-CG1 3.89Å
65V92Very high88.9Confident95 Ų9558.8 Ų58.858%0.57630%0.303SS*.Hα-helixtrans-66.6-43.1178.8-177.90000110.3G62 N63 A67 I68 Q69G62-V65 WeakPolarHBondContact O-CB 3.18Å; G62-V65 PolarHBondContact O-N 3.5Å; N63-V65 VanDerWaalsContact C-N 3.25Å; N63-V65 PolarHBondContact O-N 2.86Å; V65-A67 VanDerWaalsContact C-N 3.29Å; V65-A67 PolarHBondContact O-N 2.87Å; V65-I68 PolarHBondContact O-N 3.18Å; V65-Q69 WeakPolarHBondContact O-CB 3.45Å; V65-Q69 PolarHBondContact O-N 3.41Å
66H90.6Very high88.5Confident96 Ų9665 Ų6544%0.44433%0.327SS..Hα-helixtrans-62.2-36.5174.1-70.5-54.9000112.6N63 A70N63-H66 PolarHBondContact O-N 3.03Å; H66-A70 VanDerWaalsContact O-CB 3.3Å; H66-A70 WeakPolarHBondContact O-CB 3.37Å; H66-A70 PolarHBondContact O-N 3.34Å
67A90.8Very high88Confident5 Ų564.5 Ų64.54%0.04133%0.326CS..Hα-helixtrans-70.1-37.2176.100000112.1N63 V64 V65 A70 T71 R93 V94 F97N63-A67 PolarHBondContact O-N 3.21Å; V64-A67 PolarHBondContact O-N 3.37Å; V65-A67 VanDerWaalsContact C-N 3.29Å; V65-A67 PolarHBondContact O-N 2.87Å; A67-A70 PolarHBondContact O-N 2.92Å; A67-T71 PolarHBondContact O-N 3.15Å; A67-T71 PolarHBondContact O-OG1 3.45Å; A67-R93 HydrophobicContact CB-CB 4.18Å; A67-R93 HydrophobicContact CB-CG 4.22Å; A67-V94 HydrophobicContact CB-CB 4.46Å; A67-V94 HydrophobicContact CB-CG2 3.59Å; A67-F97 HydrophobicContact CB-CD2 3.93Å; A67-F97 HydrophobicContact CB-CE2 4.21Å
68I91.6Very high87.4Confident89 Ų8967 Ų6746%0.45635%0.346SS..Hα-helixtrans-63.3-50.5173.4-68.5165.1000110V64 V65 A70 T71 E72 V94V64-I68 HydrophobicContact CG2-CD1 4.32Å; V64-I68 WeakPolarHBondContact O-CG1 3.44Å; V64-I68 PolarHBondContact O-N 3.48Å; V65-I68 PolarHBondContact O-N 3.18Å; I68-A70 VanDerWaalsContact C-N 3.28Å; I68-A70 PolarHBondContact O-N 3.08Å; I68-T71 WeakPolarHBondContact O-CA 3.27Å; I68-T71 VanDerWaalsContact O-CB 3.29Å; I68-T71 WeakPolarHBondContact O-CB 3.29Å; I68-T71 PolarHBondContact O-N 2.97Å; I68-E72 PolarHBondContact O-N 3.06Å; I68-V94 HydrophobicContact CG1-CG1 4.16Å; I68-V94 HydrophobicContact CG1-CG2 3.8Å
69Q92.6Very high87.2Confident95 Ų9563.2 Ų63.244%0.44434%0.337SS..Hα-helixtrans-57.9-41.2177-174-176.625.100111.8V65 T71 E72 Q73V65-Q69 WeakPolarHBondContact O-CB 3.45Å; V65-Q69 PolarHBondContact O-N 3.41Å; Q69-T71 VanDerWaalsContact C-N 3.31Å; Q69-T71 PolarHBondContact O-N 2.78Å; Q69-E72 PolarHBondContact O-N 3.43Å; Q69-Q73 WeakPolarHBondContact O-CG 3.25Å; Q69-Q73 PolarHBondContact O-N 2.81Å
70A88.6Confident87Confident28 Ų2865.7 Ų65.723%0.23135%0.352CS..Hα-helixtrans-65.9-34.3176.200000112.4H66 A67 I68 S74 N90H66-A70 VanDerWaalsContact O-CB 3.3Å; H66-A70 WeakPolarHBondContact O-CB 3.37Å; H66-A70 PolarHBondContact O-N 3.34Å; A67-A70 PolarHBondContact O-N 2.92Å; I68-A70 VanDerWaalsContact C-N 3.28Å; I68-A70 PolarHBondContact O-N 3.08Å; A70-S74 WeakPolarHBondContact O-CB 3.46Å; A70-S74 PolarHBondContact O-N 3.22Å; A70-S74 PolarHBondContact O-OG 3.03Å; A70-S74 VanDerWaalsContact O-OG 3.07Å; A70-N90 HydrophobicContact CB-CB 4.4Å; A70-N90 PolarHBondContact O-ND2 3.35Å; A70-N90 VanDerWaalsContact O-ND2 3.09Å
71T89.7Confident87.1Confident20 Ų2067.1 Ų67.112%0.12336%0.364CS..Hα-helixtrans-64.5-47.7174.5-52.90000110.5A67 I68 Q69 Q73 S74 I75 T87 N90A67-T71 PolarHBondContact O-N 3.15Å; A67-T71 PolarHBondContact O-OG1 3.45Å; I68-T71 WeakPolarHBondContact O-CA 3.27Å; I68-T71 VanDerWaalsContact O-CB 3.29Å; I68-T71 WeakPolarHBondContact O-CB 3.29Å; I68-T71 PolarHBondContact O-N 2.97Å; Q69-T71 VanDerWaalsContact C-N 3.31Å; Q69-T71 PolarHBondContact O-N 2.78Å; T71-Q73 PolarHBondContact O-N 2.94Å; T71-S74 WeakPolarHBondContact CA-OG 3.28Å; T71-S74 PolarHBondContact O-N 2.8Å; T71-S74 PolarHBondContact O-OG 2.88Å; T71-I75 WeakPolarHBondContact O-CG1 3.47Å; T71-I75 PolarHBondContact O-N 3.33Å; T71-T87 HydrophobicContact CG2-CG2 3.98Å; T71-N90 WeakPolarHBondContact OG1-CB 3.46Å
72E89.4Confident87.1Confident121 Ų12164.8 Ų64.857%0.56535%0.352SS*.Hα-helixtrans-59.2-48177-172.2-176.317500111.5I68 Q69 S74 I75 H76I68-E72 PolarHBondContact O-N 3.06Å; Q69-E72 PolarHBondContact O-N 3.43Å; E72-S74 VanDerWaalsContact C-N 3.29Å; E72-S74 PolarHBondContact O-N 3.47Å; E72-I75 WeakPolarHBondContact O-CB 3.3Å; E72-I75 PolarHBondContact O-N 2.76Å; E72-H76 PolarHBondContact O-CD2 3.03Å
73Q88Confident87.3Confident113 Ų11367.2 Ų67.253%0.52835%0.349SS..Hα-helixtrans-61-37177-73176-500112.8Q69 T71 I75 H76Q69-Q73 WeakPolarHBondContact O-CG 3.25Å; Q69-Q73 PolarHBondContact O-N 2.81Å; T71-Q73 PolarHBondContact O-N 2.94Å; Q73-I75 VanDerWaalsContact C-N 3.29Å; Q73-I75 PolarHBondContact O-N 3.06Å; Q73-H76 PolarHBondContact O-N 3.13Å
74S84.5Confident87.3Confident4 Ų470.3 Ų70.33%0.02836%0.364CS..Hα-helixtrans-68.9-25179.451.80000113.9A70 T71 E72 H76 A77 R83 T87A70-S74 WeakPolarHBondContact O-CB 3.46Å; A70-S74 PolarHBondContact O-N 3.22Å; A70-S74 PolarHBondContact O-OG 3.03Å; A70-S74 VanDerWaalsContact O-OG 3.07Å; T71-S74 WeakPolarHBondContact CA-OG 3.28Å; T71-S74 PolarHBondContact O-N 2.8Å; T71-S74 PolarHBondContact O-OG 2.88Å; E72-S74 VanDerWaalsContact C-N 3.29Å; E72-S74 PolarHBondContact O-N 3.47Å; S74-H76 PolarHBondContact O-N 2.94Å; S74-A77 WeakPolarHBondContact O-CB 3.47Å; S74-A77 PolarHBondContact O-N 2.79Å; S74-R83 WeakPolarHBondContact O-CG 3.33Å; S74-T87 VanDerWaalsContact OG-CA 3.3Å; S74-T87 WeakPolarHBondContact OG-CA 3.41Å; S74-T87 PolarHBondContact OG-N 3.35Å; S74-T87 PolarHBondContact OG-OG1 2.96Å
75I84.7Confident87.3Confident91 Ų9169.2 Ų69.247%0.46736%0.358SS..Hα-helixtrans-65.2-29.4177.1-67.7166.2000111T71 E72 Q73 A77 R83 T87T71-I75 WeakPolarHBondContact O-CG1 3.47Å; T71-I75 PolarHBondContact O-N 3.33Å; E72-I75 WeakPolarHBondContact O-CB 3.3Å; E72-I75 PolarHBondContact O-N 2.76Å; Q73-I75 VanDerWaalsContact C-N 3.29Å; Q73-I75 PolarHBondContact O-N 3.06Å; I75-A77 VanDerWaalsContact C-N 3.3Å; I75-A77 PolarHBondContact O-N 2.83Å; I75-R83 WeakPolarHBondContact O-CD 3.15Å; I75-T87 HydrophobicContact CG1-CG2 3.94Å
76H81.6Confident87.2Confident147 Ų14765.5 Ų65.568%0.68134%0.335SS*.THydrogen-bonded Turntrans-85.34.6179-62.1-65.5000114.3E72 Q73 S74E72-H76 PolarHBondContact O-CD2 3.03Å; Q73-H76 PolarHBondContact O-N 3.13Å; S74-H76 PolarHBondContact O-N 2.94Å
77A80.4Confident87.2Confident6 Ų662.3 Ų62.35%0.0532%0.322CS..  trans-65.5140.4176.100000111.5S74 I75 R83 T246S74-A77 WeakPolarHBondContact O-CB 3.47Å; S74-A77 PolarHBondContact O-N 2.79Å; I75-A77 VanDerWaalsContact C-N 3.3Å; I75-A77 PolarHBondContact O-N 2.83Å; A77-R83 HydrophobicContact CB-CB 3.99Å; A77-R83 HydrophobicContact CB-CG 4.49Å; A77-T246 HydrophobicContact CB-CG2 3.81Å
78T75.5Confident87.3Confident106 Ų10665.8 Ų65.865%0.6534%0.34SS*.SBendtrans-70.8-42.7-172.9-56.90000111.7R247T78-R247 WeakPolarHBondContact CB-OXT 3.29Å; T78-R247 PolarHBondContact N-O 3.38Å; T78-R247 PolarHBondContact N-OXT 2.87Å; T78-R247 PolarHBondContact OG1-OXT 3.38Å
79D83.6Confident87.4Confident75 Ų7561.6 Ų61.640%0.40132%0.318SS..SBendtrans-85.4131.4-176.9-69-35.2000112.1V81 P82 R83D79-V81 PolarHBondContact O-N 3.27Å; D79-P82 HydrophobicContact CB-CG 3.86Å; D79-R83 WeakPolarHBondContact O-CB 3.31Å; D79-R83 PolarHBondContact O-N 3.1Å
80L85.2Confident87.4Confident102 Ų10258.3 Ų58.353%0.53430%0.304SS..Hα-helixtrans-59.8-44.1-175.6-17965.8000113.4L84L80-L84 HydrophobicContact CD1-CD1 4.01Å; L80-L84 HydrophobicContact CD1-CG 4.22Å; L80-L84 HydrophobicContact CG-CD1 4.12Å; L80-L84 WeakPolarHBondContact O-CG 3.29Å; L80-L84 PolarHBondContact O-N 3.07Å
81V87.3Confident87.7Confident59 Ų5961 Ų6136%0.35831%0.314SS..Hα-helixtrans-68.6-54.9-175.2174.20000111.1D79 R83 L84 C85 Y140D79-V81 PolarHBondContact O-N 3.27Å; V81-R83 VanDerWaalsContact C-N 3.29Å; V81-R83 PolarHBondContact O-N 3.41Å; V81-L84 PolarHBondContact O-N 3Å; V81-C85 PolarHBondContact O-N 2.92Å; V81-C85 PolarHBondContact O-SG 2.93Å; V81-C85 VanDerWaalsContact O-SG 3.39Å; V81-Y140 HydrophobicContact CB-CD2 4.38Å; V81-Y140 HydrophobicContact CB-CE1 4.37Å; V81-Y140 HydrophobicContact CB-CE2 4.15Å; V81-Y140 HydrophobicContact CG1-CD1 4.3Å; V81-Y140 HydrophobicContact CG1-CD2 3.83Å; V81-Y140 HydrophobicContact CG1-CE2 4.09Å; V81-Y140 HydrophobicContact CG1-CG 3.93Å; V81-Y140 HydrophobicContact CG2-CE2 4.3Å
82P86.7Confident88Confident5 Ų560.8 Ų60.83%0.03231%0.312CS..Hα-helixtrans-57.2-39.1173-25.735.5000113.3D79 C85 L86 R137 Y140 T246D79-P82 HydrophobicContact CB-CG 3.86Å; P82-C85 PolarHBondContact O-N 3.48Å; P82-L86 WeakPolarHBondContact O-CB 3.46Å; P82-L86 VanDerWaalsContact O-CG 3.3Å; P82-L86 WeakPolarHBondContact O-CG 3.29Å; P82-L86 PolarHBondContact O-N 3.29Å; P82-R137 HydrophobicContact CB-CG 4.05Å; P82-Y140 HydrophobicContact CG-CD1 3.94Å; P82-Y140 HydrophobicContact CG-CE1 3.94Å; P82-T246 HydrophobicContact CB-CG2 4.5Å
83R88.8Confident88.2Confident92 Ų9257.3 Ų57.335%0.34729%0.294SS..Hα-helixtrans-56.3-54176.5178.2171.974-172.59111.8S74 I75 A77 D79 V81 T87S74-R83 WeakPolarHBondContact O-CG 3.33Å; I75-R83 WeakPolarHBondContact O-CD 3.15Å; A77-R83 HydrophobicContact CB-CB 3.99Å; A77-R83 HydrophobicContact CB-CG 4.49Å; D79-R83 WeakPolarHBondContact O-CB 3.31Å; D79-R83 PolarHBondContact O-N 3.1Å; V81-R83 VanDerWaalsContact C-N 3.29Å; V81-R83 PolarHBondContact O-N 3.41Å; R83-T87 VanDerWaalsContact O-CB 3.23Å; R83-T87 WeakPolarHBondContact O-CB 3.39Å; R83-T87 PolarHBondContact O-N 2.83Å; R83-T87 PolarHBondContact O-OG1 3.07Å
84L90.1Very high88.6Confident91 Ų9152.7 Ų52.748%0.47627%0.274SS..Hα-helixtrans-64.3-47.6-178.5-71.2175000111.2L80 V81 L86 T87 L88L80-L84 HydrophobicContact CD1-CD1 4.01Å; L80-L84 HydrophobicContact CD1-CG 4.22Å; L80-L84 HydrophobicContact CG-CD1 4.12Å; L80-L84 WeakPolarHBondContact O-CG 3.29Å; L80-L84 PolarHBondContact O-N 3.07Å; V81-L84 PolarHBondContact O-N 3Å; L84-L86 PolarHBondContact O-N 3.45Å; L84-T87 PolarHBondContact O-N 3.1Å; L84-L88 WeakPolarHBondContact O-CB 3.39Å; L84-L88 WeakPolarHBondContact O-CG 3.38Å; L84-L88 PolarHBondContact O-N 2.61Å
85C90.8Very high89.1Confident14 Ų1455.3 Ų55.310%0.09529%0.287CS..Hα-helixtrans-59.6-47.6179.6-69.30000111.9V81 P82 A89 R137V81-C85 PolarHBondContact O-N 2.92Å; V81-C85 PolarHBondContact O-SG 2.93Å; V81-C85 VanDerWaalsContact O-SG 3.39Å; P82-C85 PolarHBondContact O-N 3.48Å; C85-A89 WeakPolarHBondContact O-CB 3.43Å; C85-A89 PolarHBondContact O-N 2.97Å; C85-R137 HydrophobicContact CB-CB 3.86Å; C85-R137 HydrophobicContact CB-CG 4.47Å
86L90.3Very high89.6Confident16 Ų1652.6 Ų52.68%0.08427%0.271CS..Hα-helixtrans-70-40.3-178.9-73.9170.6000112.6P82 L84 A89 N90 R137 T246P82-L86 WeakPolarHBondContact O-CB 3.46Å; P82-L86 VanDerWaalsContact O-CG 3.3Å; P82-L86 WeakPolarHBondContact O-CG 3.29Å; P82-L86 PolarHBondContact O-N 3.29Å; L84-L86 PolarHBondContact O-N 3.45Å; L86-A89 PolarHBondContact O-N 3.01Å; L86-N90 WeakPolarHBondContact O-CB 3.49Å; L86-N90 VanDerWaalsContact O-CG 3.3Å; L86-N90 PolarHBondContact O-N 3.28Å; L86-N90 PolarHBondContact O-ND2 3.15Å; L86-R137 HydrophobicContact CD1-CG 4.43Å; L86-R137 HydrophobicContact CG-CG 4.14Å; L86-T246 HydrophobicContact CD1-CG2 3.3Å
87T90.5Very high90.1Very high29 Ų2946.8 Ų46.818%0.17824%0.243CC..Hα-helixtrans-62.1-49.2178.4-56.30000110.3T71 S74 I75 R83 L84 A89 N90 L91T71-T87 HydrophobicContact CG2-CG2 3.98Å; S74-T87 VanDerWaalsContact OG-CA 3.3Å; S74-T87 WeakPolarHBondContact OG-CA 3.41Å; S74-T87 PolarHBondContact OG-N 3.35Å; S74-T87 PolarHBondContact OG-OG1 2.96Å; I75-T87 HydrophobicContact CG1-CG2 3.94Å; R83-T87 VanDerWaalsContact O-CB 3.23Å; R83-T87 WeakPolarHBondContact O-CB 3.39Å; R83-T87 PolarHBondContact O-N 2.83Å; R83-T87 PolarHBondContact O-OG1 3.07Å; L84-T87 PolarHBondContact O-N 3.1Å; T87-A89 VanDerWaalsContact C-N 3.33Å; T87-A89 PolarHBondContact O-N 3.23Å; T87-N90 PolarHBondContact O-N 3.35Å; T87-L91 WeakPolarHBondContact O-CB 3.46Å; T87-L91 PolarHBondContact O-N 2.97Å
88L93.4Very high90.8Very high79 Ų7950.2 Ų50.241%0.41426%0.26SS..Hα-helixtrans-65.6-37176.7-69.2174.1000111.8L84 N92 L133L84-L88 WeakPolarHBondContact O-CB 3.39Å; L84-L88 WeakPolarHBondContact O-CG 3.38Å; L84-L88 PolarHBondContact O-N 2.61Å; L88-N92 PolarHBondContact O-N 3.32Å; L88-N92 PolarHBondContact O-ND2 3.01Å; L88-L133 HydrophobicContact CB-CD1 3.4Å
89A93.7Very high91.6Very high0 Ų045.3 Ų45.30%023%0.23CC..Hα-helixtrans-64.3-44.8177.700000111.6C85 L86 T87 N92 R93 S130 L133C85-A89 WeakPolarHBondContact O-CB 3.43Å; C85-A89 PolarHBondContact O-N 2.97Å; L86-A89 PolarHBondContact O-N 3.01Å; T87-A89 VanDerWaalsContact C-N 3.33Å; T87-A89 PolarHBondContact O-N 3.23Å; A89-N92 PolarHBondContact O-N 3.18Å; A89-R93 PolarHBondContact O-N 3.19Å; A89-S130 WeakPolarHBondContact O-CB 3.36Å; A89-S130 PolarHBondContact O-OG 2.95Å; A89-L133 HydrophobicContact CB-CB 3.85Å; A89-L133 HydrophobicContact CB-CD1 4.35Å
90N93.3Very high92Very high27 Ų2742.4 Ų42.414%0.14422%0.215CC..Hα-helixtrans-71.3-37179.6-70.2-34.2000111.5A70 T71 L86 T87 N92 R93 V94A70-N90 HydrophobicContact CB-CB 4.4Å; A70-N90 PolarHBondContact O-ND2 3.35Å; A70-N90 VanDerWaalsContact O-ND2 3.09Å; T71-N90 WeakPolarHBondContact OG1-CB 3.46Å; L86-N90 WeakPolarHBondContact O-CB 3.49Å; L86-N90 VanDerWaalsContact O-CG 3.3Å; L86-N90 PolarHBondContact O-N 3.28Å; L86-N90 PolarHBondContact O-ND2 3.15Å; T87-N90 PolarHBondContact O-N 3.35Å; N90-N92 VanDerWaalsContact C-N 3.35Å; N90-N92 PolarHBondContact O-N 2.93Å; N90-R93 CarbonylContact O-C 3.49Å; N90-R93 WeakPolarHBondContact O-CA 3.37Å; N90-R93 WeakPolarHBondContact O-CB 3.46Å; N90-R93 PolarHBondContact O-N 3.38Å; N90-V94 WeakPolarHBondContact O-CG2 3.49Å; N90-V94 PolarHBondContact O-N 3.46Å
91L94.6Very high92.3Very high83 Ų8339.8 Ų39.844%0.43520%0.203SC..Hα-helixtrans-60.2-44.4173.1-176.464.1000111.8T87 R93 V94 I95T87-L91 WeakPolarHBondContact O-CB 3.46Å; T87-L91 PolarHBondContact O-N 2.97Å; L91-R93 PolarHBondContact O-N 3.09Å; L91-V94 WeakPolarHBondContact O-CB 3.36Å; L91-V94 PolarHBondContact O-N 2.92Å; L91-V94 VanDerWaalsContact O-N 3.15Å; L91-I95 PolarHBondContact O-N 3.44Å
92N95.4Very high92.5Very high17 Ų1739 Ų399%0.09120%0.196CC..Hα-helixtrans-64.7-31.9173.9-82.3-86.1000112.2L88 A89 N90 V94 I95 Y96 H126 F129L88-N92 PolarHBondContact O-N 3.32Å; L88-N92 PolarHBondContact O-ND2 3.01Å; A89-N92 PolarHBondContact O-N 3.18Å; N90-N92 VanDerWaalsContact C-N 3.35Å; N90-N92 PolarHBondContact O-N 2.93Å; N92-V94 VanDerWaalsContact C-N 3.35Å; N92-I95 PolarHBondContact O-N 3.33Å; N92-Y96 WeakPolarHBondContact O-CB 3.4Å; N92-Y96 PolarHBondContact O-N 2.92Å; N92-H126 HydrophobicContact CB-CB 4.46Å; N92-H126 PolarHBondContact OD1-ND1 3.19Å; N92-F129 HydrophobicContact CB-CD1 4.32Å; N92-F129 VanDerWaalsContact CG-CD1 3.44Å; N92-F129 WeakPolarHBondContact ND2-CD1 3.48Å; N92-F129 WeakPolarHBondContact ND2-CE1 2.92Å
93R94Very high92.7Very high47 Ų4740 Ų4018%0.17720%0.201CC..Hα-helixtrans-65.1-37.7173-158.881.671.3133.91112A67 A89 N90 L91 Y96 F97 S130A67-R93 HydrophobicContact CB-CB 4.18Å; A67-R93 HydrophobicContact CB-CG 4.22Å; A89-R93 PolarHBondContact O-N 3.19Å; N90-R93 CarbonylContact O-C 3.49Å; N90-R93 WeakPolarHBondContact O-CA 3.37Å; N90-R93 WeakPolarHBondContact O-CB 3.46Å; N90-R93 PolarHBondContact O-N 3.38Å; L91-R93 PolarHBondContact O-N 3.09Å; R93-Y96 WeakPolarHBondContact O-CB 3.24Å; R93-Y96 PolarHBondContact O-N 2.88Å; R93-F97 HydrophobicContact CG-CD2 3.87Å; R93-F97 HydrophobicContact CG-CE2 3.44Å; R93-F97 VanDerWaalsContact CG-CE2 3.44Å; R93-F97 HydrophobicContact CG-CZ 4.29Å; R93-F97 WeakPolarHBondContact O-CD2 3.37Å; R93-F97 PolarHBondContact O-N 3.21Å; R93-S130 PolarHBondContact NE-OG 2.93Å
94V95.4Very high92.7Very high17 Ų1737.7 Ų37.710%0.10319%0.192CC..Hα-helixtrans-58.9-52.2173.5174.40000109.8V64 A67 I68 N90 L91 N92 Y96 F97 I98V64-V94 HydrophobicContact CG2-CG1 3.92Å; A67-V94 HydrophobicContact CB-CB 4.46Å; A67-V94 HydrophobicContact CB-CG2 3.59Å; I68-V94 HydrophobicContact CG1-CG1 4.16Å; I68-V94 HydrophobicContact CG1-CG2 3.8Å; N90-V94 WeakPolarHBondContact O-CG2 3.49Å; N90-V94 PolarHBondContact O-N 3.46Å; L91-V94 WeakPolarHBondContact O-CB 3.36Å; L91-V94 PolarHBondContact O-N 2.92Å; L91-V94 VanDerWaalsContact O-N 3.15Å; N92-V94 VanDerWaalsContact C-N 3.35Å; V94-Y96 VanDerWaalsContact C-N 3.29Å; V94-Y96 PolarHBondContact O-N 3.34Å; V94-F97 PolarHBondContact O-N 2.85Å; V94-F97 VanDerWaalsContact O-N 3.15Å; V94-I98 HydrophobicContact CG1-CD1 3.95Å; V94-I98 WeakPolarHBondContact O-CG1 3.28Å; V94-I98 PolarHBondContact O-N 2.95Å
95I95.5Very high92.7Very high59 Ų5935 Ų3530%0.30318%0.18SC..Hα-helixtrans-60.4-41.8179.7-58170.2000110.9L91 N92 F97 I98 C99 H126L91-I95 PolarHBondContact O-N 3.44Å; N92-I95 PolarHBondContact O-N 3.33Å; I95-F97 PolarHBondContact O-N 2.87Å; I95-I98 PolarHBondContact O-N 3.31Å; I95-C99 PolarHBondContact O-N 2.92Å; I95-C99 PolarHBondContact O-SG 3.48Å; I95-H126 WeakPolarHBondContact CG2-CD2 3.3Å; I95-H126 WeakPolarHBondContact CG2-NE2 3.39Å
96Y94.7Very high92.7Very high33 Ų3338 Ų3813%0.12919%0.189CC..Hα-helixtrans-56.8-49.1174.3164.7-102.2000112.4R60 N92 R93 V94 I98 C99 D100 A123 Y127R60-Y96 PolarHBondContact NH1-OH 3.39Å; N92-Y96 WeakPolarHBondContact O-CB 3.4Å; N92-Y96 PolarHBondContact O-N 2.92Å; R93-Y96 WeakPolarHBondContact O-CB 3.24Å; R93-Y96 PolarHBondContact O-N 2.88Å; V94-Y96 VanDerWaalsContact C-N 3.29Å; V94-Y96 PolarHBondContact O-N 3.34Å; Y96-I98 VanDerWaalsContact C-N 3.34Å; Y96-I98 PolarHBondContact O-N 3.24Å; Y96-C99 WeakPolarHBondContact O-CB 3.19Å; Y96-C99 PolarHBondContact O-N 3.35Å; Y96-D100 WeakPolarHBondContact O-CB 3.4Å; Y96-D100 PolarHBondContact O-N 3.4Å; Y96-A123 HydrophobicContact CD2-CB 3.98Å; Y96-A123 WeakPolarHBondContact CD2-O 3.5Å; Y96-A123 HydrophobicContact CE2-CB 4.3Å; Y96-Y127 HydrophobicContact CD1-CD2 4.41Å; Y96-Y127 HydrophobicContact CD2-CD2 4.43Å; Y96-Y127 HydrophobicContact CD2-CG 4.27Å; Y96-Y127 HydrophobicContact CE1-CD2 4.38Å; Y96-Y127 HydrophobicContact CE2-CD2 4.39Å; Y96-Y127 HydrophobicContact CE2-CG 4.17Å; Y96-Y127 HydrophobicContact CG-CD2 4.42Å
97F93.9Very high92.4Very high25 Ų2540.5 Ų40.511%0.1121%0.208CC..Hα-helixtrans-68.6-31.1-179.4-75.5-54.7000113.1N63 V64 A67 R93 V94 I95 D100 T101N63-F97 HydrophobicContact CB-CD1 3.77Å; N63-F97 HydrophobicContact CB-CD2 3.93Å; N63-F97 HydrophobicContact CB-CE1 3.55Å; N63-F97 HydrophobicContact CB-CE2 3.69Å; N63-F97 HydrophobicContact CB-CG 3.98Å; N63-F97 HydrophobicContact CB-CZ 3.52Å; V64-F97 HydrophobicContact CB-CB 4.07Å; A67-F97 HydrophobicContact CB-CD2 3.93Å; A67-F97 HydrophobicContact CB-CE2 4.21Å; R93-F97 HydrophobicContact CG-CD2 3.87Å; R93-F97 HydrophobicContact CG-CE2 3.44Å; R93-F97 VanDerWaalsContact CG-CE2 3.44Å; R93-F97 HydrophobicContact CG-CZ 4.29Å; R93-F97 WeakPolarHBondContact O-CD2 3.37Å; R93-F97 PolarHBondContact O-N 3.21Å; V94-F97 PolarHBondContact O-N 2.85Å; V94-F97 VanDerWaalsContact O-N 3.15Å; I95-F97 PolarHBondContact O-N 2.87Å; F97-D100 PolarHBondContact O-N 2.93Å; F97-T101 WeakPolarHBondContact O-CB 3.48Å; F97-T101 PolarHBondContact O-N 3.23Å; F97-T101 PolarHBondContact O-OG1 2.93Å
98I93.9Very high92.2Very high79 Ų7943 Ų4341%0.40522%0.223SC..Hα-helixtrans-62.4-49.1170.5-67.5168.4000109.8V64 V94 I95 Y96 D100 T101 I102V64-I98 HydrophobicContact CG2-CD1 4.45Å; V64-I98 HydrophobicContact CG2-CG1 3.89Å; V94-I98 HydrophobicContact CG1-CD1 3.95Å; V94-I98 WeakPolarHBondContact O-CG1 3.28Å; V94-I98 PolarHBondContact O-N 2.95Å; I95-I98 PolarHBondContact O-N 3.31Å; Y96-I98 VanDerWaalsContact C-N 3.34Å; Y96-I98 PolarHBondContact O-N 3.24Å; I98-D100 VanDerWaalsContact C-N 3.31Å; I98-D100 PolarHBondContact O-N 3.42Å; I98-T101 PolarHBondContact O-N 3.39Å; I98-I102 HydrophobicContact CG2-CD1 4.05Å; I98-I102 WeakPolarHBondContact O-CG1 3.49Å; I98-I102 PolarHBondContact O-N 3.15Å
99C92.9Very high91.8Very high2 Ų241.6 Ų41.61%0.01423%0.228CC..Hα-helixtrans-60.7-40.7177-63.10000111.9I95 Y96 I102 L103 W119 A123I95-C99 PolarHBondContact O-N 2.92Å; I95-C99 PolarHBondContact O-SG 3.48Å; Y96-C99 WeakPolarHBondContact O-CB 3.19Å; Y96-C99 PolarHBondContact O-N 3.35Å; C99-I102 PolarHBondContact O-N 3Å; C99-L103 WeakPolarHBondContact O-CG 3.28Å; C99-L103 PolarHBondContact O-N 3.22Å; C99-W119 HydrophobicContact CB-CE3 4.14Å; C99-A123 HydrophobicContact CB-CB 3.73Å
100D91.9Very high91.4Very high15 Ų1547.3 Ų47.38%0.0826%0.258CS..Hα-helixtrans-64.4-39.1177.5-168.172000112.1R60 Y96 F97 I98 L103 W104R60-D100 VanDerWaalsContact CZ-CG 3.43Å; R60-D100 IonicContact CZ-OD1 3.45Å; R60-D100 IonicContact CZ-OD2 2.79Å; R60-D100 IonicContact NE-OD2 3.44Å; R60-D100 IonicContact NH1-OD1 3.58Å; R60-D100 PolarHBondContact NH1-OD1 2.99Å; R60-D100 IonicContact NH1-OD2 3.98Å; R60-D100 PolarHBondContact NH1-OD2 3.42Å; R60-D100 VanDerWaalsContact NH2-CG 3.28Å; R60-D100 IonicContact NH2-OD1 2.68Å; R60-D100 PolarHBondContact NH2-OD1 3.46Å; R60-D100 IonicContact NH2-OD2 3.62Å; R60-D100 PolarHBondContact NH2-OD2 2.99Å; Y96-D100 WeakPolarHBondContact O-CB 3.4Å; Y96-D100 PolarHBondContact O-N 3.4Å; F97-D100 PolarHBondContact O-N 2.93Å; I98-D100 VanDerWaalsContact C-N 3.31Å; I98-D100 PolarHBondContact O-N 3.42Å; D100-L103 PolarHBondContact O-N 3.09Å; D100-W104 WeakPolarHBondContact O-CB 3.41Å; D100-W104 PolarHBondContact O-N 3.35Å
101T91.8Very high90.9Very high47 Ų4748.3 Ų48.329%0.28827%0.265SS..Hα-helixtrans-63.4-45175-56.20000110.8L61 F97 I98 L103 W104 V105L61-T101 HydrophobicContact CD2-CG2 4.24Å; F97-T101 WeakPolarHBondContact O-CB 3.48Å; F97-T101 PolarHBondContact O-N 3.23Å; F97-T101 PolarHBondContact O-OG1 2.93Å; I98-T101 PolarHBondContact O-N 3.39Å; T101-L103 PolarHBondContact O-N 2.97Å; T101-W104 WeakPolarHBondContact O-CB 3.22Å; T101-W104 PolarHBondContact O-N 2.86Å; T101-W104 VanDerWaalsContact O-N 3.15Å; T101-V105 WeakPolarHBondContact O-CG2 3.25Å; T101-V105 PolarHBondContact O-N 3.44Å
102I91.4Very high89.9Confident41 Ų4149.3 Ų49.321%0.2128%0.279CS..Hα-helixtrans-61.2-43.7176.2-68.4167.5000111.3I98 C99 W104 V105 R106 I114 W119I98-I102 HydrophobicContact CG2-CD1 4.05Å; I98-I102 WeakPolarHBondContact O-CG1 3.49Å; I98-I102 PolarHBondContact O-N 3.15Å; C99-I102 PolarHBondContact O-N 3Å; I102-W104 VanDerWaalsContact C-N 3.29Å; I102-W104 PolarHBondContact O-N 3.33Å; I102-V105 PolarHBondContact O-N 2.91Å; I102-R106 PolarHBondContact O-N 2.85Å; I102-I114 HydrophobicContact CG2-CD1 3.7Å; I102-I114 HydrophobicContact CG2-CG2 4.02Å; I102-W119 HydrophobicContact CD1-CE3 3.96Å; I102-W119 HydrophobicContact CD1-CH2 3.44Å; I102-W119 VanDerWaalsContact CD1-CH2 3.44Å; I102-W119 HydrophobicContact CD1-CZ2 4.13Å; I102-W119 HydrophobicContact CD1-CZ3 3.35Å; I102-W119 HydrophobicContact CG2-CD2 4.07Å; I102-W119 HydrophobicContact CG2-CE3 4.31Å; I102-W119 HydrophobicContact CG2-CG 4.43Å
103L90.3Very high89.1Confident28 Ų2852.4 Ų52.415%0.14732%0.315CS..Hα-helixtrans-64.4-34175.8-73.5169.1000112.4C99 D100 T101 S107 K116 W119 R120C99-L103 WeakPolarHBondContact O-CG 3.28Å; C99-L103 PolarHBondContact O-N 3.22Å; D100-L103 PolarHBondContact O-N 3.09Å; T101-L103 PolarHBondContact O-N 2.97Å; L103-S107 PolarHBondContact O-N 3.45Å; L103-S107 VanDerWaalsContact O-N 3.13Å; L103-K116 HydrophobicContact CD2-CG 4.17Å; L103-W119 HydrophobicContact CD2-CB 3.78Å; L103-W119 HydrophobicContact CG-CB 4.09Å; L103-R120 HydrophobicContact CD1-CB 4.32Å
104W90Very high88.7Confident42 Ų4252.1 Ų52.116%0.15932%0.317CS..Hα-helixtrans-68.2-49.1173.9172.981.7000111.7W58 L61 D100 T101 I102 R106 S107 V108W58-W104 HydrophobicContact CE3-CZ2 4.39Å; W58-W104 AromaticContact CH2-CZ2 3.98Å; W58-W104 HydrophobicContact CH2-CZ2 3.98Å; W58-W104 HydrophobicContact CZ2-CZ2 4.16Å; W58-W104 HydrophobicContact CZ3-CZ2 4.09Å; L61-W104 HydrophobicContact CD1-CD2 4.13Å; L61-W104 HydrophobicContact CD1-CE3 4.25Å; L61-W104 HydrophobicContact CD1-CH2 3.91Å; L61-W104 HydrophobicContact CD1-CZ2 3.76Å; L61-W104 HydrophobicContact CD1-CZ3 4.15Å; L61-W104 HydrophobicContact CD2-CD2 3.92Å; L61-W104 HydrophobicContact CD2-CE3 3.79Å; L61-W104 HydrophobicContact CD2-CG 4.32Å; L61-W104 HydrophobicContact CD2-CZ3 4.27Å; D100-W104 WeakPolarHBondContact O-CB 3.41Å; D100-W104 PolarHBondContact O-N 3.35Å; T101-W104 WeakPolarHBondContact O-CB 3.22Å; T101-W104 PolarHBondContact O-N 2.86Å; T101-W104 VanDerWaalsContact O-N 3.15Å; I102-W104 VanDerWaalsContact C-N 3.29Å; I102-W104 PolarHBondContact O-N 3.33Å; W104-R106 VanDerWaalsContact C-N 3.26Å; W104-R106 PolarHBondContact O-N 3.09Å; W104-S107 WeakPolarHBondContact CA-OG 3.35Å; W104-S107 WeakPolarHBondContact O-CA 3.14Å; W104-S107 WeakPolarHBondContact O-CB 3.23Å; W104-S107 PolarHBondContact O-N 3.25Å; W104-S107 PolarHBondContact O-OG 3.35Å; W104-V108 HydrophobicContact CD2-CG2 4.33Å; W104-V108 HydrophobicContact CZ2-CG2 3.92Å; W104-V108 PolarHBondContact O-N 3.13Å; W104-V108 VanDerWaalsContact O-N 3.12Å
105V90.1Very high88.5Confident36 Ų3654.8 Ų54.822%0.21833%0.33CS..Hα-helixtrans-53.2-45.6176.2169.50000110.7T101 I102 S107 V108 G109 L110 T111T101-V105 WeakPolarHBondContact O-CG2 3.25Å; T101-V105 PolarHBondContact O-N 3.44Å; I102-V105 PolarHBondContact O-N 2.91Å; V105-S107 VanDerWaalsContact C-N 3.34Å; V105-S107 PolarHBondContact O-N 3.49Å; V105-V108 PolarHBondContact O-N 3.06Å; V105-G109 PolarHBondContact O-N 2.6Å; V105-L110 HydrophobicContact CG1-CB 3.69Å; V105-L110 HydrophobicContact CG1-CD1 4.09Å; V105-L110 PolarHBondContact O-N 3.05Å; V105-T111 HydrophobicContact CG1-CG2 3.94Å
106R88.9Confident88.2Confident77 Ų7758.1 Ų58.129%0.29134%0.342SS..Hα-helixtrans-59.2-43.4173177.6178.2-178.178.8-10.2112.4I102 W104 V108 G109 S112 I114I102-R106 PolarHBondContact O-N 2.85Å; W104-R106 VanDerWaalsContact C-N 3.26Å; W104-R106 PolarHBondContact O-N 3.09Å; R106-V108 PolarHBondContact O-N 2.68Å; R106-G109 PolarHBondContact O-N 3.07Å; R106-S112 VanDerWaalsContact NH1-C 3.28Å; R106-S112 PolarHBondContact NH1-O 3.43Å; R106-I114 WeakPolarHBondContact CD-O 3.33Å; R106-I114 PolarHBondContact NE-O 3.43Å; R106-I114 VanDerWaalsContact NE-O 3.13Å; R106-I114 PolarHBondContact NH1-O 3.46Å; R106-I114 PolarHBondContact NH2-O 2.88Å
107S84.9Confident88Confident68 Ų6863.3 Ų63.348%0.47637%0.368SS..Hα-helixtrans-68-20.7-177.367.20000114.5L103 W104 V105 G109L103-S107 PolarHBondContact O-N 3.45Å; L103-S107 VanDerWaalsContact O-N 3.13Å; W104-S107 WeakPolarHBondContact CA-OG 3.35Å; W104-S107 WeakPolarHBondContact O-CA 3.14Å; W104-S107 WeakPolarHBondContact O-CB 3.23Å; W104-S107 PolarHBondContact O-N 3.25Å; W104-S107 PolarHBondContact O-OG 3.35Å; V105-S107 VanDerWaalsContact C-N 3.34Å; V105-S107 PolarHBondContact O-N 3.49Å; S107-G109 VanDerWaalsContact C-N 3.33Å
108V86.9Confident88Confident80 Ų8069.3 Ų69.349%0.48539%0.394SS..THydrogen-bonded Turntrans-85.4-9.1173.5-179.60000111.7W104 V105 R106 L110W104-V108 HydrophobicContact CD2-CG2 4.33Å; W104-V108 HydrophobicContact CZ2-CG2 3.92Å; W104-V108 PolarHBondContact O-N 3.13Å; W104-V108 VanDerWaalsContact O-N 3.12Å; V105-V108 PolarHBondContact O-N 3.06Å; R106-V108 PolarHBondContact O-N 2.68Å; V108-L110 HydrophobicContact CG1-CG 4.33Å
109G85Confident87.9Confident51 Ų5169.1 Ų69.153%0.52639%0.388SS..THydrogen-bonded Turntrans88.37.817900000114.6V105 R106 S107 T111V105-G109 PolarHBondContact O-N 2.6Å; R106-G109 PolarHBondContact O-N 3.07Å; S107-G109 VanDerWaalsContact C-N 3.33Å; G109-T111 VanDerWaalsContact C-N 3.26Å; G109-T111 PolarHBondContact O-N 3.49Å
110L85.1Confident87.9Confident119 Ų11975.3 Ų75.362%0.62341%0.411SS*.SBendtrans-68.4-24.8178.6-67.8172.2000112.9V105 V108V105-L110 HydrophobicContact CG1-CB 3.69Å; V105-L110 HydrophobicContact CG1-CD1 4.09Å; V105-L110 PolarHBondContact O-N 3.05Å; V108-L110 HydrophobicContact CG1-CG 4.33Å
111T81.7Confident88Confident49 Ų4977.3 Ų77.330%0.30142%0.424SS..  trans-143.4114.6-179.159.30000112.1V105 G109 I114V105-T111 HydrophobicContact CG1-CG2 3.94Å; G109-T111 VanDerWaalsContact C-N 3.26Å; G109-T111 PolarHBondContact O-N 3.49Å; T111-I114 HydrophobicContact CG2-CD1 4.4Å; T111-I114 VanDerWaalsContact OG1-CD1 3.28Å; T111-I114 WeakPolarHBondContact OG1-CD1 3.45Å
112S73.4Confident88.1Confident104 Ų10481.9 Ų81.973%0.72744%0.436SS*.SBendtrans-90-21.9-174.8-46.70000114.2R106 I114R106-S112 VanDerWaalsContact NH1-C 3.28Å; R106-S112 PolarHBondContact NH1-O 3.43Å; S112-I114 PolarHBondContact O-N 2.89Å
113G80.4Confident88.2Confident82 Ų8280.2 Ų80.285%0.84543%0.428SS*.SBendtrans-83.5-3.5-173.900000116.9
114I85.6Confident88.4Confident41 Ų4179 Ų7921%0.2142%0.422CS..SBendtrans-82.8124.1-172.3-60.6-172.8000112I102 R106 T111 S112 K116 W119I102-I114 HydrophobicContact CG2-CD1 3.7Å; I102-I114 HydrophobicContact CG2-CG2 4.02Å; R106-I114 WeakPolarHBondContact CD-O 3.33Å; R106-I114 PolarHBondContact NE-O 3.43Å; R106-I114 VanDerWaalsContact NE-O 3.13Å; R106-I114 PolarHBondContact NH1-O 3.46Å; R106-I114 PolarHBondContact NH2-O 2.88Å; T111-I114 HydrophobicContact CG2-CD1 4.4Å; T111-I114 VanDerWaalsContact OG1-CD1 3.28Å; T111-I114 WeakPolarHBondContact OG1-CD1 3.45Å; S112-I114 PolarHBondContact O-N 2.89Å; I114-K116 PolarHBondContact O-N 3.27Å; I114-W119 HydrophobicContact CG2-CG 4.06Å
115N89.8Confident88.7Confident72 Ų7281.9 Ų81.939%0.38544%0.437SS..  trans-69.1101.3176.3-173.7-38.9000111.8E117 K118 W119N115-E117 VanDerWaalsContact C-N 3.28Å; N115-E117 PolarHBondContact O-N 3.38Å; N115-E117 PolarHBondContact OD1-N 3.5Å; N115-E117 VanDerWaalsContact OD1-N 3.09Å; N115-K118 HydrophobicContact CB-CB 4.15Å; N115-K118 HydrophobicContact CB-CD 4.03Å; N115-K118 HydrophobicContact CB-CG 4.15Å; N115-K118 PolarHBondContact O-N 2.85Å; N115-K118 PolarHBondContact OD1-N 3.12Å; N115-K118 VanDerWaalsContact OD1-N 3.09Å; N115-W119 VanDerWaalsContact O-CD1 3.24Å; N115-W119 PolarHBondContact O-N 2.81Å
116K89.3Confident89Confident129 Ų12982.3 Ų82.356%0.56144%0.437SS*.Hα-helixtrans-53.9-41.6-177.7-176.2-179.6175.7-175.90113.1L103 I114 R120L103-K116 HydrophobicContact CD2-CG 4.17Å; I114-K116 PolarHBondContact O-N 3.27Å; K116-R120 WeakPolarHBondContact O-CB 3.28Å; K116-R120 PolarHBondContact O-N 2.97Å
117E91.2Very high89.3Confident143 Ų14379.5 Ų79.567%0.66843%0.427SS*.Hα-helixtrans-70.1-48.2-175.4-172.3174-169.300110.9N115 W119 R120 T121N115-E117 VanDerWaalsContact C-N 3.28Å; N115-E117 PolarHBondContact O-N 3.38Å; N115-E117 PolarHBondContact OD1-N 3.5Å; N115-E117 VanDerWaalsContact OD1-N 3.09Å; E117-W119 VanDerWaalsContact C-N 3.34Å; E117-W119 PolarHBondContact O-N 2.91Å; E117-R120 PolarHBondContact O-N 3.31Å; E117-R120 VanDerWaalsContact O-N 3.15Å; E117-T121 WeakPolarHBondContact O-CB 3.33Å; E117-T121 PolarHBondContact O-N 3.26Å; E117-T121 PolarHBondContact O-OG1 3.18Å; E117-T121 VanDerWaalsContact O-OG1 3.06Å
118K92.8Very high89.8Confident151 Ų15176.7 Ų76.766%0.65741%0.407SS*.Hα-helixtrans-56.1-46.5177.2-70.4-176.9-178.9-176.50112.3N115 T121 R122N115-K118 HydrophobicContact CB-CB 4.15Å; N115-K118 HydrophobicContact CB-CD 4.03Å; N115-K118 HydrophobicContact CB-CG 4.15Å; N115-K118 PolarHBondContact O-N 2.85Å; N115-K118 PolarHBondContact OD1-N 3.12Å; N115-K118 VanDerWaalsContact OD1-N 3.09Å; K118-T121 PolarHBondContact O-N 2.9Å; K118-R122 WeakPolarHBondContact O-CB 3.34Å; K118-R122 PolarHBondContact O-N 3.06Å
119W93.1Very high90.2Very high75 Ų7577.5 Ų77.528%0.28440%0.404SS..Hα-helixtrans-69.6-35.7179.3-76.996.4000112.7C99 I102 L103 I114 N115 E117 A123C99-W119 HydrophobicContact CB-CE3 4.14Å; I102-W119 HydrophobicContact CD1-CE3 3.96Å; I102-W119 HydrophobicContact CD1-CH2 3.44Å; I102-W119 VanDerWaalsContact CD1-CH2 3.44Å; I102-W119 HydrophobicContact CD1-CZ2 4.13Å; I102-W119 HydrophobicContact CD1-CZ3 3.35Å; I102-W119 HydrophobicContact CG2-CD2 4.07Å; I102-W119 HydrophobicContact CG2-CE3 4.31Å; I102-W119 HydrophobicContact CG2-CG 4.43Å; L103-W119 HydrophobicContact CD2-CB 3.78Å; L103-W119 HydrophobicContact CG-CB 4.09Å; I114-W119 HydrophobicContact CG2-CG 4.06Å; N115-W119 VanDerWaalsContact O-CD1 3.24Å; N115-W119 PolarHBondContact O-N 2.81Å; E117-W119 VanDerWaalsContact C-N 3.34Å; E117-W119 PolarHBondContact O-N 2.91Å; W119-A123 WeakPolarHBondContact O-CB 3.5Å; W119-A123 PolarHBondContact O-N 3Å
120R92.4Very high90.7Very high132 Ų13275 Ų7550%0.49838%0.379SS..Hα-helixtrans-64.7-46.2173.9-174.6-178.3-176.9-178.20.2111.4L103 K116 E117 R122 A123 A124L103-R120 HydrophobicContact CD1-CB 4.32Å; K116-R120 WeakPolarHBondContact O-CB 3.28Å; K116-R120 PolarHBondContact O-N 2.97Å; E117-R120 PolarHBondContact O-N 3.31Å; E117-R120 VanDerWaalsContact O-N 3.15Å; R120-R122 VanDerWaalsContact C-N 3.35Å; R120-R122 PolarHBondContact O-N 2.98Å; R120-A123 PolarHBondContact O-N 3.43Å; R120-A124 WeakPolarHBondContact O-CB 3.21Å; R120-A124 PolarHBondContact O-N 3.49Å
121T93.9Very high91.2Very high56 Ų5669.4 Ų69.434%0.34435%0.349SS..Hα-helixtrans-63.6-40.9177.8-58.50000111.3E117 K118 A124 H125 L212E117-T121 WeakPolarHBondContact O-CB 3.33Å; E117-T121 PolarHBondContact O-N 3.26Å; E117-T121 PolarHBondContact O-OG1 3.18Å; E117-T121 VanDerWaalsContact O-OG1 3.06Å; K118-T121 PolarHBondContact O-N 2.9Å; T121-A124 PolarHBondContact O-N 2.76Å; T121-H125 PolarHBondContact O-N 2.96Å; T121-H125 PolarHBondContact O-ND1 3.39Å; T121-L212 HydrophobicContact CG2-CD2 4.14Å
122R94.2Very high91.8Very high143 Ų14371 Ų7154%0.5436%0.355SS..Hα-helixtrans-63-45.4174.3-176.2171-67.6-162.3-3112.1K118 R120 A124 H125 H126K118-R122 WeakPolarHBondContact O-CB 3.34Å; K118-R122 PolarHBondContact O-N 3.06Å; R120-R122 VanDerWaalsContact C-N 3.35Å; R120-R122 PolarHBondContact O-N 2.98Å; R122-A124 VanDerWaalsContact C-N 3.3Å; R122-A124 PolarHBondContact O-N 3.07Å; R122-H125 PolarHBondContact O-N 3.01Å; R122-H126 PolarHBondContact O-CD2 3.37Å; R122-H126 VanDerWaalsContact O-CD2 3.25Å; R122-H126 PolarHBondContact O-N 3.09Å
123A93.9Very high92.8Very high6 Ų667.1 Ų67.15%0.0533%0.327CS..Hα-helixtrans-58.6-43.7175.100000111.3Y96 C99 W119 R120 H125 H126 Y127Y96-A123 HydrophobicContact CD2-CB 3.98Å; Y96-A123 WeakPolarHBondContact CD2-O 3.5Å; Y96-A123 HydrophobicContact CE2-CB 4.3Å; C99-A123 HydrophobicContact CB-CB 3.73Å; W119-A123 WeakPolarHBondContact O-CB 3.5Å; W119-A123 PolarHBondContact O-N 3Å; R120-A123 PolarHBondContact O-N 3.43Å; A123-H125 PolarHBondContact O-N 3.47Å; A123-H126 PolarHBondContact O-N 3.15Å; A123-Y127 VanDerWaalsContact O-CB 3.3Å; A123-Y127 WeakPolarHBondContact O-CB 3.47Å; A123-Y127 PolarHBondContact O-N 3.44Å
124A94.6Very high93.4Very high3 Ų363.5 Ų63.53%0.02529%0.288CS..Hα-helixtrans-61.8-42.1178.300000112.5R120 T121 R122 Y127 C128 Q211 L212R120-A124 WeakPolarHBondContact O-CB 3.21Å; R120-A124 PolarHBondContact O-N 3.49Å; T121-A124 PolarHBondContact O-N 2.76Å; R122-A124 VanDerWaalsContact C-N 3.3Å; R122-A124 PolarHBondContact O-N 3.07Å; A124-Y127 PolarHBondContact O-N 3.01Å; A124-C128 VanDerWaalsContact O-CB 3.3Å; A124-C128 WeakPolarHBondContact O-CB 3.29Å; A124-C128 PolarHBondContact O-N 3.35Å; A124-Q211 HydrophobicContact CB-CB 4.12Å; A124-L212 HydrophobicContact CB-CD2 3.82Å; A124-L212 HydrophobicContact CB-CG 4Å
125H95.4Very high93.8Very high102 Ų10262.4 Ų62.447%0.47228%0.283SS..Hα-helixtrans-60-52.7175.6-7997.2000112.4T121 R122 A123 Y127 C128 F129 L212T121-H125 PolarHBondContact O-N 2.96Å; T121-H125 PolarHBondContact O-ND1 3.39Å; R122-H125 PolarHBondContact O-N 3.01Å; A123-H125 PolarHBondContact O-N 3.47Å; H125-Y127 VanDerWaalsContact C-N 3.3Å; H125-Y127 PolarHBondContact O-N 3.5Å; H125-C128 WeakPolarHBondContact O-CB 3.45Å; H125-C128 PolarHBondContact O-N 3.15Å; H125-F129 PolarHBondContact O-N 3.19Å; H125-L212 WeakPolarHBondContact CE1-CD2 3.33Å; H125-L212 WeakPolarHBondContact ND1-CD2 3.33Å
126H95.6Very high93.9Very high45 Ų4562.6 Ų62.621%0.20829%0.286CS..Hα-helixtrans-65.3-35.8-179.5-72.7-67.6000112.2N92 I95 R122 A123 S130N92-H126 HydrophobicContact CB-CB 4.46Å; N92-H126 PolarHBondContact OD1-ND1 3.19Å; I95-H126 WeakPolarHBondContact CG2-CD2 3.3Å; I95-H126 WeakPolarHBondContact CG2-NE2 3.39Å; R122-H126 PolarHBondContact O-CD2 3.37Å; R122-H126 VanDerWaalsContact O-CD2 3.25Å; R122-H126 PolarHBondContact O-N 3.09Å; A123-H126 PolarHBondContact O-N 3.15Å; H126-S130 WeakPolarHBondContact O-CB 3.48Å; H126-S130 PolarHBondContact O-N 2.92Å
127Y95.5Very high94.1Very high19 Ų1957.1 Ų57.18%0.07526%0.262CS..Hα-helixtrans-64.9-44173.6-172.6-123.7000111.8Y96 A123 A124 H125 S130 L131 D204 P208Y96-Y127 HydrophobicContact CD1-CD2 4.41Å; Y96-Y127 HydrophobicContact CD2-CD2 4.43Å; Y96-Y127 HydrophobicContact CD2-CG 4.27Å; Y96-Y127 HydrophobicContact CE1-CD2 4.38Å; Y96-Y127 HydrophobicContact CE2-CD2 4.39Å; Y96-Y127 HydrophobicContact CE2-CG 4.17Å; Y96-Y127 HydrophobicContact CG-CD2 4.42Å; A123-Y127 VanDerWaalsContact O-CB 3.3Å; A123-Y127 WeakPolarHBondContact O-CB 3.47Å; A123-Y127 PolarHBondContact O-N 3.44Å; A124-Y127 PolarHBondContact O-N 3.01Å; H125-Y127 VanDerWaalsContact C-N 3.3Å; H125-Y127 PolarHBondContact O-N 3.5Å; Y127-S130 PolarHBondContact O-N 3.2Å; Y127-L131 HydrophobicContact CD1-CD1 4.1Å; Y127-L131 HydrophobicContact CE1-CD1 3.65Å; Y127-L131 HydrophobicContact CE1-CG 4.46Å; Y127-L131 HydrophobicContact CE2-CD1 4.31Å; Y127-L131 HydrophobicContact CE2-CD2 4.42Å; Y127-L131 HydrophobicContact CE2-CG 4.28Å; Y127-L131 WeakPolarHBondContact O-CG 3.22Å; Y127-L131 PolarHBondContact O-N 3.39Å; Y127-D204 PolarHBondContact OH-OD2 3.48Å; Y127-P208 HydrophobicContact CD1-CB 4.03Å; Y127-P208 HydrophobicContact CD1-CG 3.76Å; Y127-P208 HydrophobicContact CE1-CG 4.16Å
128C95.4Very high94.1Very high9 Ų950.3 Ų50.36%0.06123%0.23CC..Hα-helixtrans-58-50.1175.5-162.60000111.3A124 H125 S130 L131 L132 P208 L212A124-C128 VanDerWaalsContact O-CB 3.3Å; A124-C128 WeakPolarHBondContact O-CB 3.29Å; A124-C128 PolarHBondContact O-N 3.35Å; H125-C128 WeakPolarHBondContact O-CB 3.45Å; H125-C128 PolarHBondContact O-N 3.15Å; C128-S130 VanDerWaalsContact C-N 3.34Å; C128-S130 PolarHBondContact O-N 3.04Å; C128-L131 PolarHBondContact O-N 3.25Å; C128-L131 VanDerWaalsContact O-N 3.14Å; C128-L132 WeakPolarHBondContact O-CG 3.36Å; C128-L132 PolarHBondContact O-N 3.3Å; C128-P208 HydrophobicContact CB-CB 3.83Å; C128-P208 HydrophobicContact CB-CG 4.13Å; C128-L212 HydrophobicContact CB-CD1 4.09Å
129F95.4Very high94Very high96 Ų9648.5 Ų48.542%0.42123%0.227SC..Hα-helixtrans-63.8-39.5-179.2-168.8-98.5000112.2N92 H125 L131 L132 L133N92-F129 HydrophobicContact CB-CD1 4.32Å; N92-F129 VanDerWaalsContact CG-CD1 3.44Å; N92-F129 WeakPolarHBondContact ND2-CD1 3.48Å; N92-F129 WeakPolarHBondContact ND2-CE1 2.92Å; H125-F129 PolarHBondContact O-N 3.19Å; F129-L131 VanDerWaalsContact C-N 3.32Å; F129-L131 PolarHBondContact O-N 3.3Å; F129-L132 PolarHBondContact O-N 3.38Å; F129-L133 HydrophobicContact CD1-CD1 3.56Å; F129-L133 HydrophobicContact CD1-CG 4.19Å; F129-L133 HydrophobicContact CE1-CD1 3.25Å; F129-L133 HydrophobicContact CE1-CG 3.98Å; F129-L133 HydrophobicContact CZ-CD1 3.96Å; F129-L133 HydrophobicContact CZ-CD2 4.45Å; F129-L133 HydrophobicContact CZ-CG 4.28Å; F129-L133 WeakPolarHBondContact O-CG 3.39Å; F129-L133 PolarHBondContact O-N 3.42Å
130S95.9Very high93.9Very high0 Ų048.9 Ų48.90%023%0.229CC..Hα-helixtrans-58.8-42.7172.9-174.50000112.1A89 R93 H126 Y127 C128 S134A89-S130 WeakPolarHBondContact O-CB 3.36Å; A89-S130 PolarHBondContact O-OG 2.95Å; R93-S130 PolarHBondContact NE-OG 2.93Å; H126-S130 WeakPolarHBondContact O-CB 3.48Å; H126-S130 PolarHBondContact O-N 2.92Å; Y127-S130 PolarHBondContact O-N 3.2Å; C128-S130 VanDerWaalsContact C-N 3.34Å; C128-S130 PolarHBondContact O-N 3.04Å; S130-S134 WeakPolarHBondContact O-CB 3.18Å; S130-S134 PolarHBondContact O-N 3.13Å; S130-S134 PolarHBondContact O-OG 2.86Å
131L94.9Very high93.7Very high0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-69.1-43.1177.4-69.9175000112.2Y127 C128 F129 L133 S134 L135 D204 I205 P208Y127-L131 HydrophobicContact CD1-CD1 4.1Å; Y127-L131 HydrophobicContact CE1-CD1 3.65Å; Y127-L131 HydrophobicContact CE1-CG 4.46Å; Y127-L131 HydrophobicContact CE2-CD1 4.31Å; Y127-L131 HydrophobicContact CE2-CD2 4.42Å; Y127-L131 HydrophobicContact CE2-CG 4.28Å; Y127-L131 WeakPolarHBondContact O-CG 3.22Å; Y127-L131 PolarHBondContact O-N 3.39Å; C128-L131 PolarHBondContact O-N 3.25Å; C128-L131 VanDerWaalsContact O-N 3.14Å; F129-L131 VanDerWaalsContact C-N 3.32Å; F129-L131 PolarHBondContact O-N 3.3Å; L131-L133 PolarHBondContact O-N 3.17Å; L131-S134 WeakPolarHBondContact O-CB 3.37Å; L131-S134 PolarHBondContact O-N 3.22Å; L131-L135 WeakPolarHBondContact O-CG 3.36Å; L131-L135 PolarHBondContact O-N 3.2Å; L131-D204 HydrophobicContact CD1-CB 4.05Å; L131-D204 HydrophobicContact CD2-CB 4.1Å; L131-I205 HydrophobicContact CB-CG1 4.39Å; L131-I205 HydrophobicContact CD1-CB 4.29Å; L131-I205 HydrophobicContact CD1-CG1 4.43Å; L131-P208 HydrophobicContact CD1-CG 3.96Å
132L95Very high93.4Very high82 Ų8241.9 Ų41.943%0.42920%0.198SC..Hα-helixtrans-58.7-47.7177-75.1171.1000111.4C128 F129 S134 L135 V136 I205C128-L132 WeakPolarHBondContact O-CG 3.36Å; C128-L132 PolarHBondContact O-N 3.3Å; F129-L132 PolarHBondContact O-N 3.38Å; L132-S134 VanDerWaalsContact C-N 3.31Å; L132-S134 PolarHBondContact O-N 3.05Å; L132-L135 PolarHBondContact O-N 3.45Å; L132-V136 WeakPolarHBondContact O-CG2 3.46Å; L132-V136 PolarHBondContact O-N 2.94Å; L132-I205 HydrophobicContact CD2-CD1 3.64Å; L132-I205 HydrophobicContact CG-CD1 4.16Å
133L93.9Very high93.1Very high24 Ų2437.3 Ų37.313%0.12619%0.188CC..Hα-helixtrans-63.8-36.8176.3-72.8173.7000112.9L88 A89 F129 L131 V136 R137L88-L133 HydrophobicContact CB-CD1 3.4Å; A89-L133 HydrophobicContact CB-CB 3.85Å; A89-L133 HydrophobicContact CB-CD1 4.35Å; F129-L133 HydrophobicContact CD1-CD1 3.56Å; F129-L133 HydrophobicContact CD1-CG 4.19Å; F129-L133 HydrophobicContact CE1-CD1 3.25Å; F129-L133 HydrophobicContact CE1-CG 3.98Å; F129-L133 HydrophobicContact CZ-CD1 3.96Å; F129-L133 HydrophobicContact CZ-CD2 4.45Å; F129-L133 HydrophobicContact CZ-CG 4.28Å; F129-L133 WeakPolarHBondContact O-CG 3.39Å; F129-L133 PolarHBondContact O-N 3.42Å; L131-L133 PolarHBondContact O-N 3.17Å; L133-V136 PolarHBondContact O-N 2.97Å; L133-R137 PolarHBondContact O-N 3.48Å; L133-R137 VanDerWaalsContact O-N 3.07Å
134S93.3Very high92.7Very high5 Ų539.4 Ų39.44%0.03520%0.199CC..Hα-helixtrans-64.4-42.3174.9-56.60000110.9S130 L131 L132 R137 D138S130-S134 WeakPolarHBondContact O-CB 3.18Å; S130-S134 PolarHBondContact O-N 3.13Å; S130-S134 PolarHBondContact O-OG 2.86Å; L131-S134 WeakPolarHBondContact O-CB 3.37Å; L131-S134 PolarHBondContact O-N 3.22Å; L132-S134 VanDerWaalsContact C-N 3.31Å; L132-S134 PolarHBondContact O-N 3.05Å; S134-R137 WeakPolarHBondContact O-CB 3.42Å; S134-R137 PolarHBondContact O-N 3.37Å; S134-D138 VanDerWaalsContact O-CG 3.23Å; S134-D138 PolarHBondContact O-N 3.46Å
135L93.8Very high92.3Very high19 Ų1940.5 Ų40.510%0.09920%0.203CC..Hα-helixtrans-65.5-39.8175.4-74.2170.9000112.7L131 L132 R137 D138 L139 N201 L202 I205L131-L135 WeakPolarHBondContact O-CG 3.36Å; L131-L135 PolarHBondContact O-N 3.2Å; L132-L135 PolarHBondContact O-N 3.45Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 3.4Å; L135-D138 WeakPolarHBondContact O-CB 3.42Å; L135-D138 PolarHBondContact O-N 3.49Å; L135-L139 WeakPolarHBondContact O-CB 3.49Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 3.03Å; L135-N201 HydrophobicContact CD2-CB 3.6Å; L135-N201 HydrophobicContact CG-CB 3.9Å; L135-L202 HydrophobicContact CD1-CD2 4.14Å; L135-L202 HydrophobicContact CD2-CD2 3.71Å; L135-L202 HydrophobicContact CD2-CG 3.72Å; L135-I205 HydrophobicContact CD1-CD1 3.88Å
136V93.2Very high91.7Very high76 Ų7636.8 Ų36.846%0.46119%0.186SC..Hα-helixtrans-60.1-41.8174.1170.60000110.4L132 L133 L139 Y140L132-V136 WeakPolarHBondContact O-CG2 3.46Å; L132-V136 PolarHBondContact O-N 2.94Å; L133-V136 PolarHBondContact O-N 2.97Å; V136-L139 PolarHBondContact O-N 3.32Å; V136-Y140 WeakPolarHBondContact O-CB 3.36Å; V136-Y140 PolarHBondContact O-N 2.84Å
137R92.5Very high91.2Very high14 Ų1441.6 Ų41.65%0.05321%0.206CC..Hα-helixtrans-64.2-44174.3-174.6-93.4-62.1155.34.5112P82 C85 L86 L133 S134 L135 Y140 E141 D197P82-R137 HydrophobicContact CB-CG 4.05Å; C85-R137 HydrophobicContact CB-CB 3.86Å; C85-R137 HydrophobicContact CB-CG 4.47Å; L86-R137 HydrophobicContact CD1-CG 4.43Å; L86-R137 HydrophobicContact CG-CG 4.14Å; L133-R137 PolarHBondContact O-N 3.48Å; L133-R137 VanDerWaalsContact O-N 3.07Å; S134-R137 WeakPolarHBondContact O-CB 3.42Å; S134-R137 PolarHBondContact O-N 3.37Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 3.4Å; R137-Y140 PolarHBondContact O-N 3.45Å; R137-E141 WeakPolarHBondContact CD-OE1 3.16Å; R137-E141 PolarHBondContact O-N 3.03Å; R137-D197 IonicContact CZ-OD2 2.98Å; R137-D197 IonicContact NH1-OD2 3.06Å; R137-D197 IonicContact NH2-OD2 2.94Å; R137-D197 PolarHBondContact NH2-OD2 2.96Å
138D91Very high90.6Very high0 Ų046.3 Ų46.30%022%0.224CC..Hα-helixtrans-58.2-48.8176.1-68.7-28.3000111S134 L135 Y140 E141 I142 L194 T198 N201S134-D138 VanDerWaalsContact O-CG 3.23Å; S134-D138 PolarHBondContact O-N 3.46Å; L135-D138 WeakPolarHBondContact O-CB 3.42Å; L135-D138 PolarHBondContact O-N 3.49Å; D138-Y140 VanDerWaalsContact C-N 3.34Å; D138-Y140 PolarHBondContact O-N 3.05Å; D138-E141 PolarHBondContact O-N 3.31Å; D138-I142 WeakPolarHBondContact O-CB 3.34Å; D138-I142 WeakPolarHBondContact O-CG1 3.39Å; D138-I142 PolarHBondContact O-N 3.48Å; D138-L194 HydrophobicContact CB-CD1 4.34Å; D138-T198 HydrophobicContact CB-CG2 4.42Å; D138-T198 WeakPolarHBondContact OD2-CA 3.3Å; D138-N201 PolarHBondContact OD2-ND2 3.41Å
139L90.3Very high90.1Very high113 Ų11346.4 Ų46.459%0.59222%0.224SC*.Hα-helixtrans-61.3-41177.9-71173.3000112.2L135 V136 I142 S143L135-L139 WeakPolarHBondContact O-CB 3.49Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 3.03Å; V136-L139 PolarHBondContact O-N 3.32Å; L139-I142 PolarHBondContact O-N 2.82Å; L139-S143 WeakPolarHBondContact O-CB 3.3Å; L139-S143 PolarHBondContact O-N 3.33Å
140Y90.9Very high89.5Confident82 Ų8245.3 Ų45.332%0.32223%0.226SC..Hα-helixtrans-60.4-49.5175.3178.3-95.1000111.2V81 P82 V136 R137 D138 I142 S143 L144V81-Y140 HydrophobicContact CB-CD2 4.38Å; V81-Y140 HydrophobicContact CB-CE1 4.37Å; V81-Y140 HydrophobicContact CB-CE2 4.15Å; V81-Y140 HydrophobicContact CG1-CD1 4.3Å; V81-Y140 HydrophobicContact CG1-CD2 3.83Å; V81-Y140 HydrophobicContact CG1-CE2 4.09Å; V81-Y140 HydrophobicContact CG1-CG 3.93Å; V81-Y140 HydrophobicContact CG2-CE2 4.3Å; P82-Y140 HydrophobicContact CG-CD1 3.94Å; P82-Y140 HydrophobicContact CG-CE1 3.94Å; V136-Y140 WeakPolarHBondContact O-CB 3.36Å; V136-Y140 PolarHBondContact O-N 2.84Å; R137-Y140 PolarHBondContact O-N 3.45Å; D138-Y140 VanDerWaalsContact C-N 3.34Å; D138-Y140 PolarHBondContact O-N 3.05Å; Y140-I142 PolarHBondContact O-N 3.27Å; Y140-S143 PolarHBondContact O-N 3.11Å; Y140-S143 PolarHBondContact O-OG 3.4Å; Y140-L144 PolarHBondContact O-N 2.95Å
141E89.1Confident88.8Confident31 Ų3153 Ų5315%0.14526%0.255CS..Hα-helixtrans-63.9-41.6178.2-73.7-174.3-158.400112.2R137 D138 S143 L144 Q145 L194 L244R137-E141 WeakPolarHBondContact CD-OE1 3.16Å; R137-E141 PolarHBondContact O-N 3.03Å; D138-E141 PolarHBondContact O-N 3.31Å; E141-S143 VanDerWaalsContact C-N 3.3Å; E141-S143 PolarHBondContact O-N 3.14Å; E141-L144 PolarHBondContact O-N 2.83Å; E141-Q145 WeakPolarHBondContact O-CG 3.37Å; E141-Q145 PolarHBondContact O-N 3.47Å; E141-L194 HydrophobicContact CB-CD1 3.94Å; E141-L194 HydrophobicContact CB-CD2 3.88Å; E141-L244 WeakPolarHBondContact OE2-CD2 3.21Å
142I88Confident88.2Confident11 Ų1156.9 Ų56.96%0.05628%0.276CS..Hα-helixtrans-58.2-45.5174.9-68.9166.6000109.9D138 L139 Y140 L144 Q145 M146 L184 L188 L194 T198D138-I142 WeakPolarHBondContact O-CB 3.34Å; D138-I142 WeakPolarHBondContact O-CG1 3.39Å; D138-I142 PolarHBondContact O-N 3.48Å; L139-I142 PolarHBondContact O-N 2.82Å; Y140-I142 PolarHBondContact O-N 3.27Å; I142-L144 VanDerWaalsContact C-N 3.29Å; I142-L144 PolarHBondContact O-N 3.31Å; I142-Q145 PolarHBondContact O-N 3.31Å; I142-M146 HydrophobicContact CG2-CG 4.36Å; I142-M146 HydrophobicContact CG2-SD 4.11Å; I142-M146 WeakPolarHBondContact O-CG 3.17Å; I142-M146 PolarHBondContact O-N 3.2Å; I142-L184 HydrophobicContact CG2-CD1 4.35Å; I142-L184 HydrophobicContact CG2-CG 4.46Å; I142-L188 HydrophobicContact CD1-CD2 3.88Å; I142-L188 HydrophobicContact CG1-CD2 3.79Å; I142-L194 HydrophobicContact CG1-CD1 4.46Å; I142-L194 HydrophobicContact CG1-CD2 3.73Å; I142-L194 HydrophobicContact CG1-CG 4.04Å; I142-T198 HydrophobicContact CD1-CG2 4.17Å
143S86.7Confident87.5Confident47 Ų4757 Ų5733%0.32927%0.27SS..Hα-helixtrans-61.8-37.717981.70000112.2L139 Y140 E141 K147L139-S143 WeakPolarHBondContact O-CB 3.3Å; L139-S143 PolarHBondContact O-N 3.33Å; Y140-S143 PolarHBondContact O-N 3.11Å; Y140-S143 PolarHBondContact O-OG 3.4Å; E141-S143 VanDerWaalsContact C-N 3.3Å; E141-S143 PolarHBondContact O-N 3.14Å; S143-K147 WeakPolarHBondContact O-CG 3.17Å; S143-K147 PolarHBondContact O-N 3.04Å; S143-K147 VanDerWaalsContact O-N 3.11Å
144L86.9Confident86.8Confident50 Ų5057.9 Ų57.926%0.26228%0.281SS..Hα-helixtrans-68.7-41.3176.9-176.760.8000111.4Y140 E141 I142 K147 R148Y140-L144 PolarHBondContact O-N 2.95Å; E141-L144 PolarHBondContact O-N 2.83Å; I142-L144 VanDerWaalsContact C-N 3.29Å; I142-L144 PolarHBondContact O-N 3.31Å; L144-K147 PolarHBondContact O-N 2.9Å; L144-R148 WeakPolarHBondContact O-CG 3.49Å; L144-R148 PolarHBondContact O-N 3.31Å; L144-R148 VanDerWaalsContact O-N 3.13Å
145Q85.2Confident86.1Confident25 Ų2565.5 Ų65.512%0.11731%0.309CS..Hα-helixtrans-67.1-41.5176.9-63.5-61.77.100111.9E141 I142 K147 R148 V149 H191 L194E141-Q145 WeakPolarHBondContact O-CG 3.37Å; E141-Q145 PolarHBondContact O-N 3.47Å; I142-Q145 PolarHBondContact O-N 3.31Å; Q145-K147 VanDerWaalsContact C-N 3.31Å; Q145-K147 PolarHBondContact O-N 3.47Å; Q145-R148 WeakPolarHBondContact O-CB 3.32Å; Q145-R148 PolarHBondContact O-N 3.08Å; Q145-R148 VanDerWaalsContact O-N 3.08Å; Q145-R148 VanDerWaalsContact OE1-NH1 3.12Å; Q145-V149 WeakPolarHBondContact O-CG2 3.43Å; Q145-V149 PolarHBondContact O-N 3.23Å; Q145-H191 VanDerWaalsContact CD-CD2 3.41Å; Q145-H191 PolarHBondContact NE2-CE1 2.91Å; Q145-H191 PolarHBondContact NE2-NE2 2.87Å; Q145-H191 PolarHBondContact OE1-NE2 3.3Å; Q145-L194 HydrophobicContact CG-CD2 4.41Å
146M82.5Confident85.3Confident25 Ų2571.9 Ų71.912%0.12334%0.336CS..Hα-helixtrans-57.4-45.2174-74.5-176.962.600111.3I142 R148 V149 T150 F180 L183 L184 S187I142-M146 HydrophobicContact CG2-CG 4.36Å; I142-M146 HydrophobicContact CG2-SD 4.11Å; I142-M146 WeakPolarHBondContact O-CG 3.17Å; I142-M146 PolarHBondContact O-N 3.2Å; M146-R148 VanDerWaalsContact C-N 3.29Å; M146-R148 PolarHBondContact O-N 3.04Å; M146-V149 PolarHBondContact O-N 2.94Å; M146-T150 PolarHBondContact O-N 3.41Å; M146-T150 PolarHBondContact O-OG1 3.36Å; M146-F180 HydrophobicContact CE-CD2 3.57Å; M146-F180 HydrophobicContact CE-CE2 3.49Å; M146-F180 VanDerWaalsContact CE-CE2 3.49Å; M146-F180 HydrophobicContact CE-CZ 4.39Å; M146-F180 HydrophobicContact SD-CE2 4.01Å; M146-F180 HydrophobicContact SD-CZ 4.44Å; M146-L183 HydrophobicContact CE-CB 3.91Å; M146-L184 HydrophobicContact SD-CB 4.27Å; M146-S187 WeakPolarHBondContact CG-OG 3.41Å
147K85.6Confident84.3Confident145 Ų14573.9 Ų73.963%0.6334%0.34SS*.Hα-helixtrans-59.4-37.4175.5-73.9174.8-176.4178.30112.8S143 L144 Q145 R151S143-K147 WeakPolarHBondContact O-CG 3.17Å; S143-K147 PolarHBondContact O-N 3.04Å; S143-K147 VanDerWaalsContact O-N 3.11Å; L144-K147 PolarHBondContact O-N 2.9Å; Q145-K147 VanDerWaalsContact C-N 3.31Å; Q145-K147 PolarHBondContact O-N 3.47Å; K147-R151 WeakPolarHBondContact O-CB 3.3Å; K147-R151 PolarHBondContact O-N 2.69Å; K147-R151 VanDerWaalsContact O-N 3.09Å
148R84.1Confident83.2Confident118 Ų11881.6 Ų81.645%0.44537%0.374SS..Hα-helixtrans-68.4-47.9176.7-70.2170.1-178.5166.90.4111.6L144 Q145 M146 T150 R151 D152L144-R148 WeakPolarHBondContact O-CG 3.49Å; L144-R148 PolarHBondContact O-N 3.31Å; L144-R148 VanDerWaalsContact O-N 3.13Å; Q145-R148 WeakPolarHBondContact O-CB 3.32Å; Q145-R148 PolarHBondContact O-N 3.08Å; Q145-R148 VanDerWaalsContact O-N 3.08Å; Q145-R148 VanDerWaalsContact OE1-NH1 3.12Å; M146-R148 VanDerWaalsContact C-N 3.29Å; M146-R148 PolarHBondContact O-N 3.04Å; R148-T150 VanDerWaalsContact C-N 3.31Å; R148-T150 PolarHBondContact O-N 3.44Å; R148-R151 WeakPolarHBondContact O-CB 3.33Å; R148-R151 PolarHBondContact O-N 2.96Å; R148-R151 VanDerWaalsContact O-N 3.13Å; R148-D152 PolarHBondContact O-N 3.29Å
149V83.1Confident81.8Confident11 Ų1186.3 Ų86.37%0.06741%0.407CS..Hα-helixtrans-59.5-42.5177.9173.90000111.2Q145 M146 D152 R153 L183 Q190Q145-V149 WeakPolarHBondContact O-CG2 3.43Å; Q145-V149 PolarHBondContact O-N 3.23Å; M146-V149 PolarHBondContact O-N 2.94Å; V149-D152 PolarHBondContact O-N 3.1Å; V149-R153 WeakPolarHBondContact O-CG 3.45Å; V149-R153 PolarHBondContact O-N 3.08Å; V149-L183 HydrophobicContact CG1-CD2 4.24Å; V149-Q190 VanDerWaalsContact CG2-OE1 3.31Å
150T82.8Confident80.4Confident74 Ų7484.8 Ų84.845%0.45441%0.411SS..Hα-helixtrans-63.9-42.1176.1-56.20000111.7M146 R148 D152 R153 A154M146-T150 PolarHBondContact O-N 3.41Å; M146-T150 PolarHBondContact O-OG1 3.36Å; R148-T150 VanDerWaalsContact C-N 3.31Å; R148-T150 PolarHBondContact O-N 3.44Å; T150-D152 PolarHBondContact O-N 3.2Å; T150-R153 PolarHBondContact O-N 3.03Å; T150-A154 PolarHBondContact O-N 3.11Å
151R83.1Confident78.6Confident160 Ų16085.1 Ų85.160%0.60443%0.425SS*.Hα-helixtrans-63.5-41.4176.3-174.4-177-64.1-178.3-1.7112.1K147 R148 R153 A154 R155K147-R151 WeakPolarHBondContact O-CB 3.3Å; K147-R151 PolarHBondContact O-N 2.69Å; K147-R151 VanDerWaalsContact O-N 3.09Å; R148-R151 WeakPolarHBondContact O-CB 3.33Å; R148-R151 PolarHBondContact O-N 2.96Å; R148-R151 VanDerWaalsContact O-N 3.13Å; R151-R153 VanDerWaalsContact C-N 3.34Å; R151-A154 PolarHBondContact O-N 2.9Å; R151-R155 WeakPolarHBondContact O-CG 3.39Å; R151-R155 PolarHBondContact O-N 3.39Å
152D82.2Confident76.6Confident82 Ų8292.4 Ų92.444%0.43946%0.459SS..Hα-helixtrans-68-35.5178.7-70.7-15.4000111.7R148 V149 T150 R155 K156R148-D152 PolarHBondContact O-N 3.29Å; V149-D152 PolarHBondContact O-N 3.1Å; T150-D152 PolarHBondContact O-N 3.2Å; D152-R155 PolarHBondContact O-N 3.39Å; D152-K156 WeakPolarHBondContact O-CB 3.44Å; D152-K156 WeakPolarHBondContact O-CG 3.27Å; D152-K156 PolarHBondContact O-N 3.18Å
153R79.3Confident74.3Confident84 Ų8499 Ų9932%0.31750%0.495SS..Hα-helixtrans-64.1-50170.1-74.4-171.1-169.7-164.79.2111.8V149 T150 R151 R155 K156 E157V149-R153 WeakPolarHBondContact O-CG 3.45Å; V149-R153 PolarHBondContact O-N 3.08Å; T150-R153 PolarHBondContact O-N 3.03Å; R151-R153 VanDerWaalsContact C-N 3.34Å; R153-R155 PolarHBondContact O-N 2.85Å; R153-K156 CarbonylContact O-C 3.58Å; R153-K156 WeakPolarHBondContact O-CA 3.26Å; R153-K156 PolarHBondContact O-N 3.32Å; R153-E157 WeakPolarHBondContact O-CB 3.31Å; R153-E157 WeakPolarHBondContact O-CG 3.2Å; R153-E157 PolarHBondContact O-N 3.39Å
154A79.8Confident72.1Confident43 Ų43102.4 Ų102.436%0.35552%0.518SS..Hα-helixtrans-58.8-33.4177.700000112.3T150 R151 K158T150-A154 PolarHBondContact O-N 3.11Å; R151-A154 PolarHBondContact O-N 2.9Å; A154-K158 WeakPolarHBondContact O-CB 3.35Å; A154-K158 WeakPolarHBondContact O-CG 3.25Å; A154-K158 PolarHBondContact O-N 3.23Å
155R77.9Confident70.3Confident165 Ų165108.9 Ų108.962%0.62355%0.552SS**Hα-helixtrans-68.1-44.8171.7-75.8176.1172.9-170.3-5.3112.2R151 D152 R153 K158 S159R151-R155 WeakPolarHBondContact O-CG 3.39Å; R151-R155 PolarHBondContact O-N 3.39Å; D152-R155 PolarHBondContact O-N 3.39Å; R153-R155 PolarHBondContact O-N 2.85Å; R155-K158 PolarHBondContact O-N 3.2Å; R155-S159 PolarHBondContact O-N 3.33Å; R155-S159 PolarHBondContact O-OG 3.4Å; R155-S159 VanDerWaalsContact O-OG 3.07Å
156K78.3Confident68.1Low154 Ų154111.3 Ų111.367%0.6758%0.584SS**Hα-helixtrans-66.4-39.9178.1-76.9-178.3-180-171.60112.9D152 R153 S159 A160D152-K156 WeakPolarHBondContact O-CB 3.44Å; D152-K156 WeakPolarHBondContact O-CG 3.27Å; D152-K156 PolarHBondContact O-N 3.18Å; R153-K156 CarbonylContact O-C 3.58Å; R153-K156 WeakPolarHBondContact O-CA 3.26Å; R153-K156 PolarHBondContact O-N 3.32Å; K156-S159 VanDerWaalsContact C-OG 3.27Å; K156-S159 VanDerWaalsContact CA-OG 3.26Å; K156-S159 WeakPolarHBondContact CA-OG 3.45Å; K156-S159 CarbonylContact O-C 3.55Å; K156-S159 PolarHBondContact O-N 3.3Å; K156-S159 PolarHBondContact O-OG 3.29Å; K156-A160 VanDerWaalsContact O-CB 3.27Å; K156-A160 WeakPolarHBondContact O-CB 3.46Å; K156-A160 PolarHBondContact O-N 2.7Å
157E71.8Confident66.1Low117 Ų117117 Ų11755%0.54761%0.605SS.*Hα-helixtrans-66.7-44.3175.7-75164.5-168.700110.4R153 S159 A160 S161R153-E157 WeakPolarHBondContact O-CB 3.31Å; R153-E157 WeakPolarHBondContact O-CG 3.2Å; R153-E157 PolarHBondContact O-N 3.39Å; E157-S159 PolarHBondContact O-N 3.34Å; E157-S159 VanDerWaalsContact O-N 3.14Å; E157-A160 CarbonylContact O-C 3.5Å; E157-A160 PolarHBondContact O-N 3.31Å; E157-S161 VanDerWaalsContact O-CB 3.29Å; E157-S161 WeakPolarHBondContact O-CB 3.3Å; E157-S161 PolarHBondContact O-N 3.21Å; E157-S161 PolarHBondContact O-OG 3.21Å
158K68.3Low63.9Low177 Ų177115 Ų11577%0.7761%0.609SS**Hα-helixtrans-58.3-26.9172-78.1177.8-179.4-169.30114A154 R155A154-K158 WeakPolarHBondContact O-CB 3.35Å; A154-K158 WeakPolarHBondContact O-CG 3.25Å; A154-K158 PolarHBondContact O-N 3.23Å; R155-K158 PolarHBondContact O-N 3.2Å
159S62.1Low62.4Low99 Ų99114.2 Ų114.269%0.69262%0.618SS**THydrogen-bonded Turntrans-88.2-9.5172.646.60000114.5R155 K156 E157R155-S159 PolarHBondContact O-N 3.33Å; R155-S159 PolarHBondContact O-OG 3.4Å; R155-S159 VanDerWaalsContact O-OG 3.07Å; K156-S159 VanDerWaalsContact C-OG 3.27Å; K156-S159 VanDerWaalsContact CA-OG 3.26Å; K156-S159 WeakPolarHBondContact CA-OG 3.45Å; K156-S159 CarbonylContact O-C 3.55Å; K156-S159 PolarHBondContact O-N 3.3Å; K156-S159 PolarHBondContact O-OG 3.29Å; E157-S159 PolarHBondContact O-N 3.34Å; E157-S159 VanDerWaalsContact O-N 3.14Å
160A61.1Low60.5Low81 Ų81118 Ų11867%0.66965%0.65SS**THydrogen-bonded Turntrans-118.5-16.3-175.300000114.1K156 E157 Q162K156-A160 VanDerWaalsContact O-CB 3.27Å; K156-A160 WeakPolarHBondContact O-CB 3.46Å; K156-A160 PolarHBondContact O-N 2.7Å; E157-A160 CarbonylContact O-C 3.5Å; E157-A160 PolarHBondContact O-N 3.31Å; A160-Q162 PolarHBondContact O-N 3.48Å; A160-Q162 VanDerWaalsContact O-N 3.1Å
161S52.7Low58.9Low88 Ų88118.1 Ų118.162%0.61565%0.648SS**  trans-87.980.5-175.662.70000111.1E157E157-S161 VanDerWaalsContact O-CB 3.29Å; E157-S161 WeakPolarHBondContact O-CB 3.3Å; E157-S161 PolarHBondContact O-N 3.21Å; E157-S161 PolarHBondContact O-OG 3.21Å
162Q47.9Very low57.8Low185 Ų185116.8 Ų116.886%0.86465%0.649SS**SBendtrans-105.46.3149.4-151.2178.9-900111.9A160A160-Q162 PolarHBondContact O-N 3.48Å; A160-Q162 VanDerWaalsContact O-N 3.1Å
163D39.7Very low56.7Low150 Ų150120.8 Ų120.880%0.80267%0.665SS**SBendtrans-146.5135.3176.5-101.5-35000118.3
164S40.5Very low56Low117 Ų117120 Ų12082%0.81867%0.669SS**  trans62.5114.416273.50000121.1
165L48Very low55.7Low187 Ų187121.3 Ų121.398%0.97967%0.668SS**  trans-77143.9163.7-141.3101000110.5
166G40.1Very low55.6Low76 Ų76121.1 Ų121.178%0.78467%0.667SS**  trans167.7103162.800000111.8
167Y39.8Very low55.5Low143 Ų143118.1 Ų118.156%0.56166%0.658SS**  trans-134.2128.1169.8-174.3-103.6000110V169 E175Y167-V169 HydrophobicContact CD1-CG2 4.1Å; Y167-V169 HydrophobicContact CE1-CG2 4.12Å; Y167-E175 PolarHBondContact OH-OE2 3.41Å
168S39.4Very low55.9Low103 Ų103117.8 Ų117.872%0.7266%0.657SS**  trans-101.5130.5175.3-173.80000108.2
169V51.8Low56.3Low103 Ų103112.4 Ų112.462%0.62464%0.641SS**  trans-95.194-171.4177.60000108.5Y167Y167-V169 HydrophobicContact CD1-CG2 4.1Å; Y167-V169 HydrophobicContact CE1-CG2 4.12Å
170A43.7Very low57.2Low91 Ų91111.3 Ų111.375%0.75262%0.624SS**SBendtrans-164.734.717000000115.4
171D49.2Very low58.1Low75 Ų75112.3 Ų112.340%0.40162%0.618SS.*  trans-160.438.9167.7-157.39000113.5E173 T174 E175D171-E173 PolarHBondContact O-N 3.46Å; D171-T174 VanDerWaalsContact OD1-CB 3.3Å; D171-T174 WeakPolarHBondContact OD1-CB 3.42Å; D171-T174 PolarHBondContact OD1-OG1 2.92Å; D171-E175 HydrophobicContact CB-CG 3.99Å; D171-E175 WeakPolarHBondContact O-CB 3.34Å; D171-E175 VanDerWaalsContact O-CG 3.27Å; D171-E175 WeakPolarHBondContact O-CG 3.34Å; D171-E175 PolarHBondContact O-N 3.26Å
172E60Low59.4Low133 Ų133113.7 Ų113.762%0.62162%0.618SS**Hα-helixtrans-59.8-37.2-165.6-80.2-174.9150.400115.2W176E172-W176 WeakPolarHBondContact O-CB 3.3Å; E172-W176 PolarHBondContact O-N 2.84Å
173E60.3Low60.8Low166 Ų166106.4 Ų106.478%0.77658%0.584SS**Hα-helixtrans-77.7-43.2-175.5-67.2-166.4162.500112.8D171 L177D171-E173 PolarHBondContact O-N 3.46Å; E173-L177 PolarHBondContact O-N 3.28Å
174T63.3Low62.7Low66 Ų66101.6 Ų101.641%0.40556%0.558SS.*Hα-helixtrans-68.8-42.2177.2-42.20000110.3D171 L177 Q178D171-T174 VanDerWaalsContact OD1-CB 3.3Å; D171-T174 WeakPolarHBondContact OD1-CB 3.42Å; D171-T174 PolarHBondContact OD1-OG1 2.92Å; T174-L177 PolarHBondContact O-N 2.88Å; T174-Q178 WeakPolarHBondContact O-CB 3.22Å; T174-Q178 VanDerWaalsContact O-CG 3.23Å; T174-Q178 WeakPolarHBondContact O-CG 3.14Å; T174-Q178 PolarHBondContact O-N 3.01Å
175E73Confident64.4Low71 Ų71102.5 Ų102.533%0.33255%0.548SS..Hα-helixtrans-66.6-38.3176.8-74-173.5159.800112.2Y167 D171 S179Y167-E175 PolarHBondContact OH-OE2 3.41Å; D171-E175 HydrophobicContact CB-CG 3.99Å; D171-E175 WeakPolarHBondContact O-CB 3.34Å; D171-E175 VanDerWaalsContact O-CG 3.27Å; D171-E175 WeakPolarHBondContact O-CG 3.34Å; D171-E175 PolarHBondContact O-N 3.26Å; E175-S179 WeakPolarHBondContact O-CB 3.43Å; E175-S179 PolarHBondContact O-N 3.46Å; E175-S179 PolarHBondContact O-OG 2.88Å
176W77.1Confident65.8Low162 Ų16299.6 Ų99.661%0.61452%0.524SS*.Hα-helixtrans-65-46.2175.5174.885.7000111.5E172 S179 F180E172-W176 WeakPolarHBondContact O-CB 3.3Å; E172-W176 PolarHBondContact O-N 2.84Å; W176-S179 PolarHBondContact O-N 2.93Å; W176-F180 VanDerWaalsContact O-CB 3.25Å; W176-F180 WeakPolarHBondContact O-CB 3.36Å; W176-F180 PolarHBondContact O-N 2.83Å
177L75.1Confident67.4Low90 Ų9096.1 Ų96.147%0.47149%0.487SS..Hα-helixtrans-61.8-46.5177.2-83.3172.3000111.4E173 T174 S179 F180 L181E173-L177 PolarHBondContact O-N 3.28Å; T174-L177 PolarHBondContact O-N 2.88Å; L177-S179 PolarHBondContact O-N 3.46Å; L177-F180 PolarHBondContact O-N 3.47Å; L177-L181 WeakPolarHBondContact O-CB 3.47Å; L177-L181 VanDerWaalsContact O-CG 3.24Å; L177-L181 WeakPolarHBondContact O-CG 3.12Å; L177-L181 PolarHBondContact O-N 2.68Å
178Q80.3Confident69.1Low111 Ų11190 Ų9052%0.51946%0.464SS..Hα-helixtrans-62-44177.1-74179.20.500111.6T174 F180 L181 L182T174-Q178 WeakPolarHBondContact O-CB 3.22Å; T174-Q178 VanDerWaalsContact O-CG 3.23Å; T174-Q178 WeakPolarHBondContact O-CG 3.14Å; T174-Q178 PolarHBondContact O-N 3.01Å; Q178-F180 PolarHBondContact O-N 3.05Å; Q178-L181 PolarHBondContact O-N 2.84Å; Q178-L182 VanDerWaalsContact O-CB 3.3Å; Q178-L182 WeakPolarHBondContact O-CB 3.49Å; Q178-L182 VanDerWaalsContact O-CG 3.28Å; Q178-L182 WeakPolarHBondContact O-CG 3.44Å; Q178-L182 PolarHBondContact O-N 2.72Å
179S77.4Confident70.8Confident63 Ų6392.3 Ų92.344%0.44146%0.461SS..Hα-helixtrans-62.4-43176.7-66.60000111.8E175 W176 L177 L182 L183E175-S179 WeakPolarHBondContact O-CB 3.43Å; E175-S179 PolarHBondContact O-N 3.46Å; E175-S179 PolarHBondContact O-OG 2.88Å; W176-S179 PolarHBondContact O-N 2.93Å; L177-S179 PolarHBondContact O-N 3.46Å; S179-L182 PolarHBondContact O-N 2.74Å; S179-L183 WeakPolarHBondContact O-CB 3.41Å; S179-L183 WeakPolarHBondContact O-CD1 3.19Å; S179-L183 VanDerWaalsContact O-CG 3.23Å; S179-L183 WeakPolarHBondContact O-CG 3.39Å; S179-L183 PolarHBondContact O-N 3.19Å
180F80.3Confident72Confident76 Ų7692.4 Ų92.433%0.33346%0.455SS..Hα-helixtrans-62.9-48.7175.7177.3-96.5000111.5M146 W176 L177 Q178 L182 L183 L184M146-F180 HydrophobicContact CE-CD2 3.57Å; M146-F180 HydrophobicContact CE-CE2 3.49Å; M146-F180 VanDerWaalsContact CE-CE2 3.49Å; M146-F180 HydrophobicContact CE-CZ 4.39Å; M146-F180 HydrophobicContact SD-CE2 4.01Å; M146-F180 HydrophobicContact SD-CZ 4.44Å; W176-F180 VanDerWaalsContact O-CB 3.25Å; W176-F180 WeakPolarHBondContact O-CB 3.36Å; W176-F180 PolarHBondContact O-N 2.83Å; L177-F180 PolarHBondContact O-N 3.47Å; Q178-F180 PolarHBondContact O-N 3.05Å; F180-L182 PolarHBondContact O-N 3.42Å; F180-L183 PolarHBondContact O-N 3.06Å; F180-L184 HydrophobicContact CE1-CD1 3.92Å; F180-L184 HydrophobicContact CZ-CD1 4.04Å; F180-L184 VanDerWaalsContact O-CB 3.26Å; F180-L184 WeakPolarHBondContact O-CB 3.36Å; F180-L184 PolarHBondContact O-N 2.99Å
181L80.6Confident73.9Confident103 Ų10391 Ų9154%0.53943%0.433SS..Hα-helixtrans-62.9-40.7178.4-71.8175.9000111.9L177 Q178 L184 F185L177-L181 WeakPolarHBondContact O-CB 3.47Å; L177-L181 VanDerWaalsContact O-CG 3.24Å; L177-L181 WeakPolarHBondContact O-CG 3.12Å; L177-L181 PolarHBondContact O-N 2.68Å; Q178-L181 PolarHBondContact O-N 2.84Å; L181-L184 PolarHBondContact O-N 3.47Å; L181-F185 VanDerWaalsContact O-CB 3.3Å; L181-F185 WeakPolarHBondContact O-CB 3.31Å; L181-F185 PolarHBondContact O-N 3.44Å
182L79.8Confident75.4Confident117 Ų11789.7 Ų89.761%0.61343%0.428SS*.Hα-helixtrans-64.6-42.8174.8-78.5168.5000111.8Q178 S179 F180 R186Q178-L182 VanDerWaalsContact O-CB 3.3Å; Q178-L182 WeakPolarHBondContact O-CB 3.49Å; Q178-L182 VanDerWaalsContact O-CG 3.28Å; Q178-L182 WeakPolarHBondContact O-CG 3.44Å; Q178-L182 PolarHBondContact O-N 2.72Å; S179-L182 PolarHBondContact O-N 2.74Å; F180-L182 PolarHBondContact O-N 3.42Å; L182-R186 VanDerWaalsContact O-CB 3.24Å; L182-R186 WeakPolarHBondContact O-CB 3.47Å; L182-R186 PolarHBondContact O-N 3.14Å
183L76.8Confident76.7Confident32 Ų3284.6 Ų84.617%0.16841%0.407CS..Hα-helixtrans-64.3-42.7175.7-77.5166.4000111.5M146 V149 S179 F180 R186 S187M146-L183 HydrophobicContact CE-CB 3.91Å; V149-L183 HydrophobicContact CG1-CD2 4.24Å; S179-L183 WeakPolarHBondContact O-CB 3.41Å; S179-L183 WeakPolarHBondContact O-CD1 3.19Å; S179-L183 VanDerWaalsContact O-CG 3.23Å; S179-L183 WeakPolarHBondContact O-CG 3.39Å; S179-L183 PolarHBondContact O-N 3.19Å; F180-L183 PolarHBondContact O-N 3.06Å; L183-R186 PolarHBondContact O-N 3.42Å; L183-S187 VanDerWaalsContact O-CB 3.28Å; L183-S187 WeakPolarHBondContact O-CB 3.48Å; L183-S187 PolarHBondContact O-N 2.91Å; L183-S187 PolarHBondContact O-OG 3.19Å
184L79.3Confident77.9Confident49 Ų4976.8 Ų76.826%0.25737%0.37SS..Hα-helixtrans-62.5-49.7176.6-177.6141.8000110.6I142 M146 F180 L181 R186 S187 L188I142-L184 HydrophobicContact CG2-CD1 4.35Å; I142-L184 HydrophobicContact CG2-CG 4.46Å; M146-L184 HydrophobicContact SD-CB 4.27Å; F180-L184 HydrophobicContact CE1-CD1 3.92Å; F180-L184 HydrophobicContact CZ-CD1 4.04Å; F180-L184 VanDerWaalsContact O-CB 3.26Å; F180-L184 WeakPolarHBondContact O-CB 3.36Å; F180-L184 PolarHBondContact O-N 2.99Å; L181-L184 PolarHBondContact O-N 3.47Å; L184-R186 VanDerWaalsContact C-N 3.34Å; L184-R186 PolarHBondContact O-N 3.36Å; L184-S187 PolarHBondContact O-N 3.22Å; L184-L188 HydrophobicContact CD2-CD1 3.56Å; L184-L188 HydrophobicContact CG-CD1 4.09Å; L184-L188 WeakPolarHBondContact O-CB 3.43Å; L184-L188 WeakPolarHBondContact O-CG 3.32Å; L184-L188 PolarHBondContact O-N 3.37Å
185F77.5Confident79.1Confident135 Ų13576.6 Ų76.659%0.59237%0.367SS*.Hα-helixtrans-60-43.9177.1-176.3-100.2000111.8L181 L188 K189L181-F185 VanDerWaalsContact O-CB 3.3Å; L181-F185 WeakPolarHBondContact O-CB 3.31Å; L181-F185 PolarHBondContact O-N 3.44Å; F185-L188 PolarHBondContact O-N 3.22Å; F185-K189 HydrophobicContact CE1-CD 4.29Å; F185-K189 VanDerWaalsContact O-CB 3.27Å; F185-K189 WeakPolarHBondContact O-CB 3.34Å; F185-K189 PolarHBondContact O-N 2.88Å
186R76.4Confident79.8Confident127 Ų12774.6 Ų74.648%0.47936%0.358SS..Hα-helixtrans-66.2-41.9178.8-166.1175-171.9164.14.7112L182 L183 L184 K189 Q190L182-R186 VanDerWaalsContact O-CB 3.24Å; L182-R186 WeakPolarHBondContact O-CB 3.47Å; L182-R186 PolarHBondContact O-N 3.14Å; L183-R186 PolarHBondContact O-N 3.42Å; L184-R186 VanDerWaalsContact C-N 3.34Å; L184-R186 PolarHBondContact O-N 3.36Å; R186-K189 PolarHBondContact O-N 3.22Å; R186-Q190 WeakPolarHBondContact O-CG 3.24Å; R186-Q190 PolarHBondContact O-N 2.86Å
187S74.1Confident80.5Confident2 Ų268.2 Ų68.21%0.01434%0.336CS..Hα-helixtrans-64.3-43177.8-57.70000111.1M146 L183 L184 Q190 H191M146-S187 WeakPolarHBondContact CG-OG 3.41Å; L183-S187 VanDerWaalsContact O-CB 3.28Å; L183-S187 WeakPolarHBondContact O-CB 3.48Å; L183-S187 PolarHBondContact O-N 2.91Å; L183-S187 PolarHBondContact O-OG 3.19Å; L184-S187 PolarHBondContact O-N 3.22Å; S187-Q190 PolarHBondContact O-N 3.26Å; S187-H191 PolarHBondContact O-N 3.33Å
188L75.9Confident81.2Confident14 Ų1464.6 Ų64.67%0.07332%0.318CS..Hα-helixtrans-68.5-38.1176.3-74.1174.9000112.5I142 L184 F185 Q190 H191 L194 L195I142-L188 HydrophobicContact CD1-CD2 3.88Å; I142-L188 HydrophobicContact CG1-CD2 3.79Å; L184-L188 HydrophobicContact CD2-CD1 3.56Å; L184-L188 HydrophobicContact CG-CD1 4.09Å; L184-L188 WeakPolarHBondContact O-CB 3.43Å; L184-L188 WeakPolarHBondContact O-CG 3.32Å; L184-L188 PolarHBondContact O-N 3.37Å; F185-L188 PolarHBondContact O-N 3.22Å; L188-Q190 VanDerWaalsContact C-N 3.27Å; L188-Q190 PolarHBondContact O-N 2.88Å; L188-H191 CarbonylContact O-C 3.56Å; L188-H191 PolarHBondContact O-N 3.46Å; L188-H191 VanDerWaalsContact O-N 3.08Å; L188-L194 HydrophobicContact CD2-CD2 4.49Å; L188-L194 HydrophobicContact CD2-CG 4.22Å; L188-L195 HydrophobicContact CB-CB 4.15Å; L188-L195 HydrophobicContact CB-CD1 4.01Å; L188-L195 HydrophobicContact CB-CG 4.47Å; L188-L195 HydrophobicContact CD1-CD1 3.88Å; L188-L195 HydrophobicContact CD2-CB 4.13Å; L188-L195 HydrophobicContact CD2-CD1 4.4Å; L188-L195 HydrophobicContact CG-CD1 4.33Å
189K76.1Confident81.7Confident152 Ų15261.6 Ų61.666%0.66131%0.306SS*.Hα-helixtrans-63.8-34174.8-171.7177.5-179.1-179.90112F185 R186 H191F185-K189 HydrophobicContact CE1-CD 4.29Å; F185-K189 VanDerWaalsContact O-CB 3.27Å; F185-K189 WeakPolarHBondContact O-CB 3.34Å; F185-K189 PolarHBondContact O-N 2.88Å; R186-K189 PolarHBondContact O-N 3.22Å; K189-H191 VanDerWaalsContact C-N 3.28Å
190Q77Confident82.5Confident105 Ų10559.9 Ų59.949%0.49129%0.291SS..Hα-helixtrans-73.9-20174.5-73177-9.300113V149 R186 S187 L188 P192V149-Q190 VanDerWaalsContact CG2-OE1 3.31Å; R186-Q190 WeakPolarHBondContact O-CG 3.24Å; R186-Q190 PolarHBondContact O-N 2.86Å; S187-Q190 PolarHBondContact O-N 3.26Å; L188-Q190 VanDerWaalsContact C-N 3.27Å; L188-Q190 PolarHBondContact O-N 2.88Å; Q190-P192 WeakPolarHBondContact O-CD 3.36Å
191H81.6Confident83.2Confident62 Ų6256.3 Ų56.329%0.28728%0.276SS..  trans-126.272.6177.1-68.1-72.9000112.6Q145 S187 L188 K189 P193 L194 L195Q145-H191 VanDerWaalsContact CD-CD2 3.41Å; Q145-H191 PolarHBondContact NE2-CE1 2.91Å; Q145-H191 PolarHBondContact NE2-NE2 2.87Å; Q145-H191 PolarHBondContact OE1-NE2 3.3Å; S187-H191 PolarHBondContact O-N 3.33Å; L188-H191 CarbonylContact O-C 3.56Å; L188-H191 PolarHBondContact O-N 3.46Å; L188-H191 VanDerWaalsContact O-N 3.08Å; K189-H191 VanDerWaalsContact C-N 3.28Å; H191-P193 VanDerWaalsContact C-N 3.31Å; H191-P193 VanDerWaalsContact O-N 3.16Å; H191-L194 HydrophobicContact CB-CB 4.14Å; H191-L194 PolarHBondContact O-N 2.9Å; H191-L195 PolarHBondContact O-N 2.6Å
192P82.6Confident83.8Confident48 Ų4855.9 Ų55.931%0.31227%0.273SS..Hα-helixtrans-50.8-37.3179.3-24.231.7000115.7Q190 L194 L195 L196 M242Q190-P192 WeakPolarHBondContact O-CD 3.36Å; P192-L194 PolarHBondContact O-N 3.41Å; P192-L195 PolarHBondContact O-N 3.24Å; P192-L196 WeakPolarHBondContact O-CG 3.23Å; P192-L196 PolarHBondContact O-N 3.42Å; P192-M242 HydrophobicContact CB-CE 3.67Å; P192-M242 HydrophobicContact CB-SD 3.9Å; P192-M242 HydrophobicContact CG-CE 4.46Å
193P85.9Confident84.4Confident26 Ų2651.4 Ų51.417%0.16925%0.252CS..Hα-helixtrans-60.8-40.9176.3-25.334.8000114H191 D197 M242 L244H191-P193 VanDerWaalsContact C-N 3.31Å; H191-P193 VanDerWaalsContact O-N 3.16Å; P193-D197 PolarHBondContact O-N 3.43Å; P193-D197 VanDerWaalsContact O-N 3.11Å; P193-M242 WeakPolarHBondContact CA-O 3.3Å; P193-M242 VanDerWaalsContact CB-O 3.28Å; P193-M242 WeakPolarHBondContact CB-O 3.35Å; P193-L244 HydrophobicContact CB-CB 3.98Å; P193-L244 HydrophobicContact CB-CD1 3.89Å
194L86.6Confident85.3Confident2 Ų250 Ų501%0.0124%0.244CC..Hα-helixtrans-71.2-39.6-178.9179.958.8000110.9D138 E141 I142 Q145 L188 H191 P192 D197 T198 L244D138-L194 HydrophobicContact CB-CD1 4.34Å; E141-L194 HydrophobicContact CB-CD1 3.94Å; E141-L194 HydrophobicContact CB-CD2 3.88Å; I142-L194 HydrophobicContact CG1-CD1 4.46Å; I142-L194 HydrophobicContact CG1-CD2 3.73Å; I142-L194 HydrophobicContact CG1-CG 4.04Å; Q145-L194 HydrophobicContact CG-CD2 4.41Å; L188-L194 HydrophobicContact CD2-CD2 4.49Å; L188-L194 HydrophobicContact CD2-CG 4.22Å; H191-L194 HydrophobicContact CB-CB 4.14Å; H191-L194 PolarHBondContact O-N 2.9Å; P192-L194 PolarHBondContact O-N 3.41Å; L194-D197 PolarHBondContact O-N 2.67Å; L194-T198 WeakPolarHBondContact O-CB 3.3Å; L194-T198 PolarHBondContact O-N 3.5Å; L194-T198 PolarHBondContact O-OG1 2.83Å; L194-L244 HydrophobicContact CB-CD1 4.22Å; L194-L244 HydrophobicContact CD1-CD2 4.38Å
195L87.7Confident86Confident62 Ų6248.7 Ų48.733%0.32524%0.237SC..Hα-helixtrans-59.7-49.1173.5175.763.8000111.6L188 H191 P192 D197 T198 V199L188-L195 HydrophobicContact CB-CB 4.15Å; L188-L195 HydrophobicContact CB-CD1 4.01Å; L188-L195 HydrophobicContact CB-CG 4.47Å; L188-L195 HydrophobicContact CD1-CD1 3.88Å; L188-L195 HydrophobicContact CD2-CB 4.13Å; L188-L195 HydrophobicContact CD2-CD1 4.4Å; L188-L195 HydrophobicContact CG-CD1 4.33Å; H191-L195 PolarHBondContact O-N 2.6Å; P192-L195 PolarHBondContact O-N 3.24Å; L195-D197 PolarHBondContact O-N 3.38Å; L195-T198 PolarHBondContact O-N 3.39Å; L195-V199 HydrophobicContact CD1-CG2 3.9Å; L195-V199 HydrophobicContact CG-CG2 4.46Å; L195-V199 WeakPolarHBondContact O-CB 3.38Å; L195-V199 VanDerWaalsContact O-CG2 3.3Å; L195-V199 WeakPolarHBondContact O-CG2 3.2Å; L195-V199 PolarHBondContact O-N 3.04Å
196L88.4Confident86.8Confident28 Ų2844 Ų4415%0.14722%0.218CC..Hα-helixtrans-62.5-42-179.2-72.3174.1000112P192 K200 A232 I235 M242P192-L196 WeakPolarHBondContact O-CG 3.23Å; P192-L196 PolarHBondContact O-N 3.42Å; L196-K200 WeakPolarHBondContact O-CB 3.4Å; L196-K200 PolarHBondContact O-N 3.46Å; L196-A232 HydrophobicContact CD2-CB 4.08Å; L196-I235 HydrophobicContact CD1-CB 4.46Å; L196-I235 HydrophobicContact CD1-CG2 3.83Å; L196-M242 HydrophobicContact CD1-CB 4.23Å
197D90.4Very high87.5Confident29 Ų2938.8 Ų38.816%0.15520%0.2CC..Hα-helixtrans-68.9-42.3178.6-15655.3000111.7R137 P193 L194 L195 K200 N201R137-D197 IonicContact CZ-OD2 2.98Å; R137-D197 IonicContact NH1-OD2 3.06Å; R137-D197 IonicContact NH2-OD2 2.94Å; R137-D197 PolarHBondContact NH2-OD2 2.96Å; P193-D197 PolarHBondContact O-N 3.43Å; P193-D197 VanDerWaalsContact O-N 3.11Å; L194-D197 PolarHBondContact O-N 2.67Å; L195-D197 PolarHBondContact O-N 3.38Å; D197-K200 PolarHBondContact O-N 3Å; D197-K200 IonicContact OD1-NZ 3.39Å; D197-K200 PolarHBondContact OD1-NZ 2.86Å; D197-N201 WeakPolarHBondContact O-CB 3.32Å; D197-N201 PolarHBondContact O-N 3.32Å; D197-N201 PolarHBondContact O-ND2 3.03Å; D197-N201 VanDerWaalsContact O-ND2 3.14Å; D197-N201 PolarHBondContact OD2-ND2 3.33Å
198T90.8Very high88.4Confident14 Ų1438.7 Ų38.79%0.08620%0.199CC..Hα-helixtrans-60.4-51.4177.2-53.80000111.6D138 I142 L194 L195 K200 N201 L202D138-T198 HydrophobicContact CB-CG2 4.42Å; D138-T198 WeakPolarHBondContact OD2-CA 3.3Å; I142-T198 HydrophobicContact CD1-CG2 4.17Å; L194-T198 WeakPolarHBondContact O-CB 3.3Å; L194-T198 PolarHBondContact O-N 3.5Å; L194-T198 PolarHBondContact O-OG1 2.83Å; L195-T198 PolarHBondContact O-N 3.39Å; T198-K200 VanDerWaalsContact C-N 3.3Å; T198-K200 PolarHBondContact O-N 3.43Å; T198-N201 PolarHBondContact O-N 3.18Å; T198-L202 HydrophobicContact CG2-CD1 3.96Å; T198-L202 HydrophobicContact CG2-CG 4.37Å; T198-L202 WeakPolarHBondContact O-CB 3.45Å; T198-L202 VanDerWaalsContact O-CG 3.31Å; T198-L202 WeakPolarHBondContact O-CG 3.13Å; T198-L202 PolarHBondContact O-N 2.92Å
199V91.5Very high89.2Confident47 Ų4739.7 Ų39.729%0.28520%0.204SC..Hα-helixtrans-59-44.9178.5168.60000110.4L195 C203 V228L195-V199 HydrophobicContact CD1-CG2 3.9Å; L195-V199 HydrophobicContact CG-CG2 4.46Å; L195-V199 WeakPolarHBondContact O-CB 3.38Å; L195-V199 VanDerWaalsContact O-CG2 3.3Å; L195-V199 WeakPolarHBondContact O-CG2 3.2Å; L195-V199 PolarHBondContact O-N 3.04Å; V199-C203 WeakPolarHBondContact O-CB 3.33Å; V199-C203 PolarHBondContact O-N 3.26Å; V199-C203 PolarHBondContact O-SG 3.07Å; V199-V228 HydrophobicContact CG1-CG1 3.7Å
200K93.4Very high90Very high28 Ų2835.2 Ų35.212%0.12219%0.188CC..Hα-helixtrans-61.6-47.3178174.1-174.8151.2-141.60111.8L196 D197 T198 C203 D204 A232L196-K200 WeakPolarHBondContact O-CB 3.4Å; L196-K200 PolarHBondContact O-N 3.46Å; D197-K200 PolarHBondContact O-N 3Å; D197-K200 IonicContact OD1-NZ 3.39Å; D197-K200 PolarHBondContact OD1-NZ 2.86Å; T198-K200 VanDerWaalsContact C-N 3.3Å; T198-K200 PolarHBondContact O-N 3.43Å; K200-C203 PolarHBondContact O-N 3.49Å; K200-D204 VanDerWaalsContact O-CB 3.25Å; K200-D204 WeakPolarHBondContact O-CB 3.48Å; K200-D204 PolarHBondContact O-N 3.44Å; K200-A232 HydrophobicContact CB-CB 4.23Å
201N94.4Very high90.6Very high1 Ų134.4 Ų34.41%0.00518%0.184CC..Hα-helixtrans-66.2-41.1-178.8-68.1-29.7000111.4L135 D138 D197 T198 D204 I205L135-N201 HydrophobicContact CD2-CB 3.6Å; L135-N201 HydrophobicContact CG-CB 3.9Å; D138-N201 PolarHBondContact OD2-ND2 3.41Å; D197-N201 WeakPolarHBondContact O-CB 3.32Å; D197-N201 PolarHBondContact O-N 3.32Å; D197-N201 PolarHBondContact O-ND2 3.03Å; D197-N201 VanDerWaalsContact O-ND2 3.14Å; D197-N201 PolarHBondContact OD2-ND2 3.33Å; T198-N201 PolarHBondContact O-N 3.18Å; N201-D204 PolarHBondContact O-N 3.04Å; N201-I205 PolarHBondContact O-N 2.85Å; N201-I205 VanDerWaalsContact O-N 3.1Å
202L93.6Very high91.1Very high94 Ų9433 Ų3349%0.49218%0.179SC..Hα-helixtrans-62.9-44.5174.9-75174.2000112L135 T198 I205L135-L202 HydrophobicContact CD1-CD2 4.14Å; L135-L202 HydrophobicContact CD2-CD2 3.71Å; L135-L202 HydrophobicContact CD2-CG 3.72Å; T198-L202 HydrophobicContact CG2-CD1 3.96Å; T198-L202 HydrophobicContact CG2-CG 4.37Å; T198-L202 WeakPolarHBondContact O-CB 3.45Å; T198-L202 VanDerWaalsContact O-CG 3.31Å; T198-L202 WeakPolarHBondContact O-CG 3.13Å; T198-L202 PolarHBondContact O-N 2.92Å; L202-I205 WeakPolarHBondContact O-CG2 3.45Å
203C93.4Very high91.3Very high23 Ų2333 Ų3316%0.15519%0.187CC..Hα-helixtrans-69.2-36.6177.4-73.40000112.4V199 K200 I205 G225V199-C203 WeakPolarHBondContact O-CB 3.33Å; V199-C203 PolarHBondContact O-N 3.26Å; V199-C203 PolarHBondContact O-SG 3.07Å; K200-C203 PolarHBondContact O-N 3.49Å; C203-I205 VanDerWaalsContact C-N 3.35Å; C203-I205 PolarHBondContact O-N 3Å; C203-G225 VanDerWaalsContact CB-O 3.28Å; C203-G225 WeakPolarHBondContact CB-O 3.45Å
204D94.8Very high91.5Very high2 Ų237.4 Ų37.41%0.01121%0.208CC..Hα-helixtrans-73.5-23.9-177.8-84.1-15000113.2R19 Y127 L131 K200 N201 L206 N207 P208 S229R19-D204 IonicContact CZ-OD1 2.68Å; R19-D204 IonicContact NE-OD1 3.69Å; R19-D204 VanDerWaalsContact NH2-CG 3.28Å; R19-D204 IonicContact NH2-OD1 3.57Å; R19-D204 PolarHBondContact NH2-OD1 3.42Å; R19-D204 IonicContact NH2-OD2 2.72Å; R19-D204 PolarHBondContact NH2-OD2 2.97Å; Y127-D204 PolarHBondContact OH-OD2 3.48Å; L131-D204 HydrophobicContact CD1-CB 4.05Å; L131-D204 HydrophobicContact CD2-CB 4.1Å; K200-D204 VanDerWaalsContact O-CB 3.25Å; K200-D204 WeakPolarHBondContact O-CB 3.48Å; K200-D204 PolarHBondContact O-N 3.44Å; N201-D204 PolarHBondContact O-N 3.04Å; D204-L206 PolarHBondContact O-N 2.68Å; D204-N207 PolarHBondContact O-N 3.24Å; D204-P208 WeakPolarHBondContact O-CD 3.2Å; D204-S229 VanDerWaalsContact OD1-CB 3.23Å; D204-S229 WeakPolarHBondContact OD1-CB 3.36Å; D204-S229 PolarHBondContact OD1-OG 3.3Å
205I94.8Very high91.5Very high22 Ų2244.1 Ų44.111%0.11323%0.234CC..Hα-helixtrans-66.2-25.7-178.7-152.4178.6000113.1L131 L132 L135 N201 L202 C203 N207 P208 L209L131-I205 HydrophobicContact CB-CG1 4.39Å; L131-I205 HydrophobicContact CD1-CB 4.29Å; L131-I205 HydrophobicContact CD1-CG1 4.43Å; L132-I205 HydrophobicContact CD2-CD1 3.64Å; L132-I205 HydrophobicContact CG-CD1 4.16Å; L135-I205 HydrophobicContact CD1-CD1 3.88Å; N201-I205 PolarHBondContact O-N 2.85Å; N201-I205 VanDerWaalsContact O-N 3.1Å; L202-I205 WeakPolarHBondContact O-CG2 3.45Å; C203-I205 VanDerWaalsContact C-N 3.35Å; C203-I205 PolarHBondContact O-N 3Å; I205-N207 PolarHBondContact O-N 2.89Å; I205-P208 WeakPolarHBondContact O-CD 3.44Å; I205-P208 WeakPolarHBondContact O-CG 3.45Å; I205-L209 HydrophobicContact CD1-CD1 4.36Å; I205-L209 HydrophobicContact CG1-CD1 4.06Å; I205-L209 HydrophobicContact CG1-CG 4.26Å; I205-L209 HydrophobicContact CG2-CD1 4.07Å; I205-L209 WeakPolarHBondContact O-CB 3.37Å; I205-L209 VanDerWaalsContact O-CG 3.26Å; I205-L209 WeakPolarHBondContact O-CG 3.28Å; I205-L209 PolarHBondContact O-N 3.38Å
206L93.1Very high91.5Very high37 Ų3749.9 Ų49.919%0.19426%0.256CS..Hα-helixtrans-60.2-34.2178.4-61173000111.7D204 D210 I221D204-L206 PolarHBondContact O-N 2.68Å; L206-D210 WeakPolarHBondContact O-CB 3.36Å; L206-D210 PolarHBondContact O-N 3.42Å; L206-D210 VanDerWaalsContact O-N 3.08Å; L206-I221 HydrophobicContact CD1-CG2 4Å
207N92.1Very high91.5Very high16 Ų1649.1 Ų49.19%0.08625%0.253CS..Hα-helixtrans-65.5-56.2-179.1-71.6-72.7000113.5Y23 D204 I205 L209 D210 Q211 I222Y23-N207 VanDerWaalsContact OH-CG 3.26Å; Y23-N207 PolarHBondContact OH-ND2 2.9Å; Y23-N207 PolarHBondContact OH-OD1 3.24Å; D204-N207 PolarHBondContact O-N 3.24Å; I205-N207 PolarHBondContact O-N 2.89Å; N207-L209 VanDerWaalsContact C-N 3.34Å; N207-D210 PolarHBondContact O-N 3.29Å; N207-Q211 WeakPolarHBondContact O-CG 3.49Å; N207-Q211 PolarHBondContact O-N 2.92Å; N207-I222 WeakPolarHBondContact OD1-CG2 3.28Å
208P93.1Very high91.5Very high1 Ų150.4 Ų50.41%0.00626%0.26CS..Hα-helixtrans-67.7-32.8178.224.8-32.9000112.5Y127 C128 L131 D204 I205 D210 Q211 L212Y127-P208 HydrophobicContact CD1-CB 4.03Å; Y127-P208 HydrophobicContact CD1-CG 3.76Å; Y127-P208 HydrophobicContact CE1-CG 4.16Å; C128-P208 HydrophobicContact CB-CB 3.83Å; C128-P208 HydrophobicContact CB-CG 4.13Å; L131-P208 HydrophobicContact CD1-CG 3.96Å; D204-P208 WeakPolarHBondContact O-CD 3.2Å; I205-P208 WeakPolarHBondContact O-CD 3.44Å; I205-P208 WeakPolarHBondContact O-CG 3.45Å; P208-D210 VanDerWaalsContact C-N 3.33Å; P208-D210 PolarHBondContact O-N 2.87Å; P208-Q211 PolarHBondContact O-N 3.08Å; P208-L212 WeakPolarHBondContact O-CB 3.28Å; P208-L212 WeakPolarHBondContact O-CG 3.26Å; P208-L212 PolarHBondContact O-N 3.25Å
209L92.4Very high91.4Very high35 Ų3552.3 Ų52.318%0.18327%0.273CS..Hα-helixtrans-61.7-41.8176.2-72.9174.4000112.3I205 N207 G213 I214 Y215I205-L209 HydrophobicContact CD1-CD1 4.36Å; I205-L209 HydrophobicContact CG1-CD1 4.06Å; I205-L209 HydrophobicContact CG1-CG 4.26Å; I205-L209 HydrophobicContact CG2-CD1 4.07Å; I205-L209 WeakPolarHBondContact O-CB 3.37Å; I205-L209 VanDerWaalsContact O-CG 3.26Å; I205-L209 WeakPolarHBondContact O-CG 3.28Å; I205-L209 PolarHBondContact O-N 3.38Å; N207-L209 VanDerWaalsContact C-N 3.34Å; L209-G213 PolarHBondContact O-N 3.21Å; L209-I214 HydrophobicContact CD2-CB 4.17Å; L209-I214 HydrophobicContact CD2-CD1 4.19Å; L209-I214 HydrophobicContact CD2-CG2 4.14Å; L209-I214 PolarHBondContact O-N 2.91Å; L209-I214 VanDerWaalsContact O-N 3.11Å; L209-Y215 PolarHBondContact O-N 2.69Å
210D91.9Very high91.4Very high57 Ų5750.3 Ų50.331%0.30526%0.262SS..Hα-helixtrans-66.7-44.9174.4-17574.8000111.5L206 N207 P208 L212 G213 Y215 S217 I222L206-D210 WeakPolarHBondContact O-CB 3.36Å; L206-D210 PolarHBondContact O-N 3.42Å; L206-D210 VanDerWaalsContact O-N 3.08Å; N207-D210 PolarHBondContact O-N 3.29Å; P208-D210 VanDerWaalsContact C-N 3.33Å; P208-D210 PolarHBondContact O-N 2.87Å; D210-L212 VanDerWaalsContact C-N 3.28Å; D210-L212 PolarHBondContact O-N 2.91Å; D210-G213 PolarHBondContact O-N 2.82Å; D210-Y215 WeakPolarHBondContact CA-O 3.4Å; D210-S217 PolarHBondContact OD1-N 3.42Å; D210-I222 HydrophobicContact CB-CD1 3.87Å
211Q89.9Confident91.4Very high88 Ų8853.4 Ų53.441%0.41128%0.279SS..Hα-helixtrans-63.4-31178.1-73.4-179.42800113.9A124 N207 P208 G213A124-Q211 HydrophobicContact CB-CB 4.12Å; N207-Q211 WeakPolarHBondContact O-CG 3.49Å; N207-Q211 PolarHBondContact O-N 2.92Å; P208-Q211 PolarHBondContact O-N 3.08Å; Q211-G213 VanDerWaalsContact C-N 3.32Å
212L91.3Very high91.4Very high34 Ų3453.7 Ų53.718%0.17828%0.28CS..THydrogen-bonded Turntrans-84.5-7.7176.6-67.1173.9000112.6T121 A124 H125 C128 P208 D210 I214T121-L212 HydrophobicContact CG2-CD2 4.14Å; A124-L212 HydrophobicContact CB-CD2 3.82Å; A124-L212 HydrophobicContact CB-CG 4Å; H125-L212 WeakPolarHBondContact CE1-CD2 3.33Å; H125-L212 WeakPolarHBondContact ND1-CD2 3.33Å; C128-L212 HydrophobicContact CB-CD1 4.09Å; P208-L212 WeakPolarHBondContact O-CB 3.28Å; P208-L212 WeakPolarHBondContact O-CG 3.26Å; P208-L212 PolarHBondContact O-N 3.25Å; D210-L212 VanDerWaalsContact C-N 3.28Å; D210-L212 PolarHBondContact O-N 2.91Å; L212-I214 HydrophobicContact CB-CD1 3.88Å; L212-I214 HydrophobicContact CB-CG1 3.93Å; L212-I214 HydrophobicContact CD1-CD1 3.98Å; L212-I214 PolarHBondContact O-N 3.46Å
213G88.3Confident91.4Very high48 Ų4849.2 Ų49.250%0.49526%0.257SS..THydrogen-bonded Turntrans71.510.9-177.900000114.5L209 D210 Q211L209-G213 PolarHBondContact O-N 3.21Å; D210-G213 PolarHBondContact O-N 2.82Å; Q211-G213 VanDerWaalsContact C-N 3.32Å
214I89Confident91.6Very high117 Ų11752.6 Ų52.660%0.627%0.273SS*.SBendtrans-72-43.8180-61.5169.8000110L209 L212L209-I214 HydrophobicContact CD2-CB 4.17Å; L209-I214 HydrophobicContact CD2-CD1 4.19Å; L209-I214 HydrophobicContact CD2-CG2 4.14Å; L209-I214 PolarHBondContact O-N 2.91Å; L209-I214 VanDerWaalsContact O-N 3.11Å; L212-I214 HydrophobicContact CB-CD1 3.88Å; L212-I214 HydrophobicContact CB-CG1 3.93Å; L212-I214 HydrophobicContact CD1-CD1 3.98Å; L212-I214 PolarHBondContact O-N 3.46Å
215Y87.5Confident91.5Very high144 Ų14452.8 Ų52.857%0.56528%0.275SS*.SBendtrans-138.6107.4178.5-174.2-101000110L209 D210 S217L209-Y215 PolarHBondContact O-N 2.69Å; D210-Y215 WeakPolarHBondContact CA-O 3.4Å; Y215-S217 VanDerWaalsContact CD1-OG 3.25Å; Y215-S217 WeakPolarHBondContact CD1-OG 3.23Å; Y215-S217 WeakPolarHBondContact CE1-OG 3.34Å; Y215-S217 PolarHBondContact O-N 3.5Å
216K87.6Confident91.5Very high182 Ų18251.8 Ų51.879%0.79127%0.27SS*.  trans-75.1106.8180-69.7-175.3-179.81780109.6
217S87.2Confident91.7Very high12 Ų1251.6 Ų51.68%0.08427%0.27CS..  trans-97145.3178.1-66.60000110.3D210 Y215D210-S217 PolarHBondContact OD1-N 3.42Å; Y215-S217 VanDerWaalsContact CD1-OG 3.25Å; Y215-S217 WeakPolarHBondContact CD1-OG 3.23Å; Y215-S217 WeakPolarHBondContact CE1-OG 3.34Å; Y215-S217 PolarHBondContact O-N 3.5Å
218N90.8Very high91.8Very high56 Ų5653.4 Ų53.430%0.29928%0.281SS..  trans-63.7137.9172.5-176.6-37.2000110.3Y30 G220 I221 I222Y30-N218 VanDerWaalsContact CD2-OD1 3.24Å; Y30-N218 WeakPolarHBondContact CD2-OD1 3.37Å; Y30-N218 WeakPolarHBondContact CE2-ND2 3.19Å; Y30-N218 WeakPolarHBondContact CE2-OD1 3.48Å; Y30-N218 PolarHBondContact OH-ND2 2.85Å; N218-G220 PolarHBondContact O-N 2.86Å; N218-G220 PolarHBondContact OD1-N 3.34Å; N218-I221 HydrophobicContact CB-CD1 4.12Å; N218-I221 HydrophobicContact CB-CG1 4.24Å; N218-I221 WeakPolarHBondContact O-CB 3.3Å; N218-I221 PolarHBondContact O-N 3.38Å; N218-I222 PolarHBondContact O-N 2.84Å; N218-I222 VanDerWaalsContact O-N 3.12Å
219P89.4Confident91.9Very high55 Ų5553.4 Ų53.436%0.35728%0.281SS..Hα-helixtrans-49.4-32.5174.9-3035.1000115M26 G223M26-P219 HydrophobicContact CE-CB 3.84Å; M26-P219 WeakPolarHBondContact CE-O 3.32Å; P219-G223 PolarHBondContact O-N 3.49Å
220G92.2Very high92Very high5 Ų551.7 Ų51.75%0.05227%0.272CS..Hα-helixtrans-63.5-42.9173.800000113.4L27 N218 G223 L224L27-G220 WeakPolarHBondContact CD1-O 3.24Å; N218-G220 PolarHBondContact O-N 2.86Å; N218-G220 PolarHBondContact OD1-N 3.34Å; G220-G223 PolarHBondContact O-N 2.94Å; G220-L224 WeakPolarHBondContact O-CB 3.23Å; G220-L224 PolarHBondContact O-N 3.38Å
221I93.4Very high92Very high92 Ų9252.6 Ų52.647%0.47228%0.276SS..Hα-helixtrans-67.9-42.9179-63.8173.4000110.1L206 N218 G223 L224 G225L206-I221 HydrophobicContact CD1-CG2 4Å; N218-I221 HydrophobicContact CB-CD1 4.12Å; N218-I221 HydrophobicContact CB-CG1 4.24Å; N218-I221 WeakPolarHBondContact O-CB 3.3Å; N218-I221 PolarHBondContact O-N 3.38Å; I221-G223 VanDerWaalsContact C-N 3.32Å; I221-G223 PolarHBondContact O-N 3.13Å; I221-L224 PolarHBondContact O-N 3.36Å; I221-G225 PolarHBondContact O-N 2.94Å
222I93.8Very high92Very high7 Ų748.7 Ų48.74%0.03626%0.259CS..Hα-helixtrans-62.6-42174.9-60.4172.5000110.5Y23 M26 N207 D210 N218 G226Y23-I222 HydrophobicContact CE1-CG2 4.13Å; M26-I222 HydrophobicContact CE-CB 3.74Å; M26-I222 HydrophobicContact CE-CD1 4.36Å; M26-I222 HydrophobicContact CE-CG2 3.68Å; M26-I222 HydrophobicContact SD-CB 4.46Å; M26-I222 HydrophobicContact SD-CG2 4.06Å; N207-I222 WeakPolarHBondContact OD1-CG2 3.28Å; D210-I222 HydrophobicContact CB-CD1 3.87Å; N218-I222 PolarHBondContact O-N 2.84Å; N218-I222 VanDerWaalsContact O-N 3.12Å; I222-G226 PolarHBondContact O-N 2.89Å
223G94.1Very high91.9Very high0 Ų047.2 Ų47.20%025%0.252CS..Hα-helixtrans-58.3-49.5173.800000112.7Y23 P219 G220 I221 L227Y23-G223 WeakPolarHBondContact CB-O 3.37Å; P219-G223 PolarHBondContact O-N 3.49Å; G220-G223 PolarHBondContact O-N 2.94Å; I221-G223 VanDerWaalsContact C-N 3.32Å; I221-G223 PolarHBondContact O-N 3.13Å; G223-L227 WeakPolarHBondContact O-CB 3.36Å; G223-L227 PolarHBondContact O-N 3.13Å
224L96Very high91.9Very high94 Ų9446.9 Ų46.949%0.49224%0.238SC..Hα-helixtrans-64.2-49.1178.2-179.263000111.7L27 G220 I221 G226 L227 V228L27-L224 HydrophobicContact CD1-CB 4.46Å; L27-L224 HydrophobicContact CD2-CD1 4.34Å; G220-L224 WeakPolarHBondContact O-CB 3.23Å; G220-L224 PolarHBondContact O-N 3.38Å; I221-L224 PolarHBondContact O-N 3.36Å; L224-G226 PolarHBondContact O-N 3.5Å; L224-L227 WeakPolarHBondContact O-CB 3.42Å; L224-L227 PolarHBondContact O-N 3.09Å; L224-V228 HydrophobicContact CD1-CG2 4.29Å; L224-V228 WeakPolarHBondContact O-CG2 3.49Å; L224-V228 PolarHBondContact O-N 3.11Å
225G94.5Very high91.8Very high6 Ų644.3 Ų44.36%0.06222%0.224CC..Hα-helixtrans-58.7-48.6178.500000111.6C203 I221 L227 V228 S229C203-G225 VanDerWaalsContact CB-O 3.28Å; C203-G225 WeakPolarHBondContact CB-O 3.45Å; I221-G225 PolarHBondContact O-N 2.94Å; G225-L227 VanDerWaalsContact C-N 3.28Å; G225-L227 PolarHBondContact O-N 3.37Å; G225-V228 PolarHBondContact O-N 3.38Å; G225-S229 WeakPolarHBondContact O-CB 3.43Å; G225-S229 PolarHBondContact O-N 3.04Å; G225-S229 PolarHBondContact O-OG 2.96Å
226G94.4Very high91.7Very high1 Ų139 Ų391%0.0121%0.207CC..Hα-helixtrans-63.4-31.2177.500000113.8Y23 I222 L224 S229 S230Y23-G226 VanDerWaalsContact CD2-C 3.41Å; Y23-G226 VanDerWaalsContact CD2-CA 3.45Å; Y23-G226 WeakPolarHBondContact CD2-O 3.37Å; Y23-G226 VanDerWaalsContact CG-CA 3.49Å; I222-G226 PolarHBondContact O-N 2.89Å; L224-G226 PolarHBondContact O-N 3.5Å; G226-S229 PolarHBondContact O-OG 3.39Å; G226-S230 VanDerWaalsContact O-CB 3.29Å; G226-S230 WeakPolarHBondContact O-CB 3.36Å; G226-S230 PolarHBondContact O-N 3.07Å; G226-S230 VanDerWaalsContact O-N 3.09Å; G226-S230 PolarHBondContact O-OG 3.49Å
227L96.3Very high91.5Very high34 Ų3431.1 Ų31.118%0.17817%0.174CC..Hα-helixtrans-69.5-49.6173.2177.757.4000111.3A20 T24 L27 G223 L224 G225 S229 S230 I231A20-L227 HydrophobicContact CB-CD1 4.24Å; T24-L227 WeakPolarHBondContact OG1-CD1 3.37Å; L27-L227 HydrophobicContact CD2-CD2 4.41Å; G223-L227 WeakPolarHBondContact O-CB 3.36Å; G223-L227 PolarHBondContact O-N 3.13Å; L224-L227 WeakPolarHBondContact O-CB 3.42Å; L224-L227 PolarHBondContact O-N 3.09Å; G225-L227 VanDerWaalsContact C-N 3.28Å; G225-L227 PolarHBondContact O-N 3.37Å; L227-S229 VanDerWaalsContact C-N 3.35Å; L227-S229 PolarHBondContact O-N 3.33Å; L227-S230 WeakPolarHBondContact O-CB 3.26Å; L227-S230 PolarHBondContact O-N 2.71Å; L227-S230 VanDerWaalsContact O-N 3.15Å; L227-I231 HydrophobicContact CD1-CD1 3.95Å; L227-I231 HydrophobicContact CD1-CG1 4.24Å; L227-I231 HydrophobicContact CG-CD1 4.01Å; L227-I231 WeakPolarHBondContact O-CG1 3.43Å; L227-I231 PolarHBondContact O-N 2.97Å
228V95.2Very high91.2Very high54 Ų5432.1 Ų32.133%0.32718%0.183SC..Hα-helixtrans-58.9-46.4178.4172.40000110.8V199 L224 G225 S230 I231 A232V199-V228 HydrophobicContact CG1-CG1 3.7Å; L224-V228 HydrophobicContact CD1-CG2 4.29Å; L224-V228 WeakPolarHBondContact O-CG2 3.49Å; L224-V228 PolarHBondContact O-N 3.11Å; G225-V228 PolarHBondContact O-N 3.38Å; V228-S230 VanDerWaalsContact C-N 3.29Å; V228-S230 PolarHBondContact O-N 3.22Å; V228-I231 PolarHBondContact O-N 2.97Å; V228-A232 PolarHBondContact O-N 3.2Å
229S94.5Very high90.6Very high0 Ų035.9 Ų35.90%019%0.194CC..Hα-helixtrans-65.7-32.2178.178.40000112.8D204 G225 G226 L227 G233D204-S229 VanDerWaalsContact OD1-CB 3.23Å; D204-S229 WeakPolarHBondContact OD1-CB 3.36Å; D204-S229 PolarHBondContact OD1-OG 3.3Å; G225-S229 WeakPolarHBondContact O-CB 3.43Å; G225-S229 PolarHBondContact O-N 3.04Å; G225-S229 PolarHBondContact O-OG 2.96Å; G226-S229 PolarHBondContact O-OG 3.39Å; L227-S229 VanDerWaalsContact C-N 3.35Å; L227-S229 PolarHBondContact O-N 3.33Å; S229-G233 PolarHBondContact O-N 2.93Å
230S94.1Very high89.7Confident0 Ų037.5 Ų37.50%020%0.204CC..Hα-helixtrans-68.9-44.6174.8-60.80000111.5R19 G226 L227 V228 G233 M234R19-S230 VanDerWaalsContact CD-OG 3.29Å; R19-S230 WeakPolarHBondContact CD-OG 3.49Å; R19-S230 WeakPolarHBondContact CG-OG 3.48Å; G226-S230 VanDerWaalsContact O-CB 3.29Å; G226-S230 WeakPolarHBondContact O-CB 3.36Å; G226-S230 PolarHBondContact O-N 3.07Å; G226-S230 VanDerWaalsContact O-N 3.09Å; G226-S230 PolarHBondContact O-OG 3.49Å; L227-S230 WeakPolarHBondContact O-CB 3.26Å; L227-S230 PolarHBondContact O-N 2.71Å; L227-S230 VanDerWaalsContact O-N 3.15Å; V228-S230 VanDerWaalsContact C-N 3.29Å; V228-S230 PolarHBondContact O-N 3.22Å; S230-G233 CarbonylContact O-C 3.07Å; S230-G233 PolarHBondContact O-N 2.76Å; S230-M234 VanDerWaalsContact O-CG 3.32Å; S230-M234 WeakPolarHBondContact O-CG 3.47Å; S230-M234 PolarHBondContact O-N 2.98Å
231I93.4Very high88.5Confident76 Ų7646 Ų4639%0.3924%0.243SC..Hα-helixtrans-61.7-47.7176.4-66.3166.7000110.5L227 V228 G233 M234 I235L227-I231 HydrophobicContact CD1-CD1 3.95Å; L227-I231 HydrophobicContact CD1-CG1 4.24Å; L227-I231 HydrophobicContact CG-CD1 4.01Å; L227-I231 WeakPolarHBondContact O-CG1 3.43Å; L227-I231 PolarHBondContact O-N 2.97Å; V228-I231 PolarHBondContact O-N 2.97Å; I231-G233 VanDerWaalsContact C-N 3.29Å; I231-G233 PolarHBondContact O-N 3.35Å; I231-M234 HydrophobicContact CB-CE 4.28Å; I231-M234 HydrophobicContact CG1-CE 3.82Å; I231-M234 PolarHBondContact O-N 3.05Å; I231-M234 VanDerWaalsContact O-N 3.1Å; I231-I235 HydrophobicContact CG2-CD1 4.08Å; I231-I235 WeakPolarHBondContact O-CG1 3.44Å; I231-I235 PolarHBondContact O-N 2.8Å
232A90.1Very high87Confident5 Ų544.6 Ų44.64%0.04124%0.235CC..Hα-helixtrans-55.6-46174.400000111.3L196 K200 V228 M234 I235 T236L196-A232 HydrophobicContact CD2-CB 4.08Å; K200-A232 HydrophobicContact CB-CB 4.23Å; V228-A232 PolarHBondContact O-N 3.2Å; A232-M234 PolarHBondContact O-N 2.87Å; A232-I235 PolarHBondContact O-N 3.49Å; A232-T236 PolarHBondContact O-N 3.34Å; A232-T236 VanDerWaalsContact O-N 3.07Å; A232-T236 PolarHBondContact O-OG1 3.47Å; A232-T236 VanDerWaalsContact O-OG1 3.07Å
233G87.3Confident85.6Confident3 Ų350.6 Ų50.63%0.03126%0.261CS..Hα-helixtrans-62.6-37.5175.600000114.1S229 S230 I231 T236 V237S229-G233 PolarHBondContact O-N 2.93Å; S230-G233 CarbonylContact O-C 3.07Å; S230-G233 PolarHBondContact O-N 2.76Å; I231-G233 VanDerWaalsContact C-N 3.29Å; I231-G233 PolarHBondContact O-N 3.35Å; G233-T236 PolarHBondContact O-N 3.1Å; G233-V237 VanDerWaalsContact O-CG2 3.31Å; G233-V237 WeakPolarHBondContact O-CG2 3.27Å; G233-V237 PolarHBondContact O-N 2.96Å; G233-V237 VanDerWaalsContact O-N 3.1Å
234M89.6Confident84.1Confident42 Ų4252.9 Ų52.921%0.20727%0.273CS..Hα-helixtrans-64.3-42.6175.5-71.3-170.8-68.300111.3F7 R16 L17 A20 S230 I231 A232 T236 V237 A238F7-M234 HydrophobicContact CE2-CB 4Å; F7-M234 HydrophobicContact CE2-CG 3.9Å; F7-M234 HydrophobicContact CZ-CB 4.17Å; F7-M234 HydrophobicContact CZ-CG 3.64Å; F7-M234 HydrophobicContact CZ-SD 3.96Å; R16-M234 HydrophobicContact CB-CG 3.76Å; L17-M234 HydrophobicContact CD1-SD 4.44Å; A20-M234 HydrophobicContact CB-CE 4.11Å; S230-M234 VanDerWaalsContact O-CG 3.32Å; S230-M234 WeakPolarHBondContact O-CG 3.47Å; S230-M234 PolarHBondContact O-N 2.98Å; I231-M234 HydrophobicContact CB-CE 4.28Å; I231-M234 HydrophobicContact CG1-CE 3.82Å; I231-M234 PolarHBondContact O-N 3.05Å; I231-M234 VanDerWaalsContact O-N 3.1Å; A232-M234 PolarHBondContact O-N 2.87Å; M234-T236 VanDerWaalsContact C-N 3.35Å; M234-T236 PolarHBondContact O-N 2.75Å; M234-V237 PolarHBondContact O-N 3.45Å; M234-A238 VanDerWaalsContact O-CB 3.3Å; M234-A238 WeakPolarHBondContact O-CB 3.25Å; M234-A238 PolarHBondContact O-N 3Å
235I86.9Confident82.7Confident62 Ų6256.8 Ų56.832%0.31829%0.286SS..Hα-helixtrans-60.7-45.4176.5-65.2166.5000110.3L196 I231 A232 V237 A238 Y239L196-I235 HydrophobicContact CD1-CB 4.46Å; L196-I235 HydrophobicContact CD1-CG2 3.83Å; I231-I235 HydrophobicContact CG2-CD1 4.08Å; I231-I235 WeakPolarHBondContact O-CG1 3.44Å; I231-I235 PolarHBondContact O-N 2.8Å; A232-I235 PolarHBondContact O-N 3.49Å; I235-V237 VanDerWaalsContact C-N 3.31Å; I235-V237 PolarHBondContact O-N 3.06Å; I235-A238 PolarHBondContact O-N 3.25Å; I235-Y239 HydrophobicContact CG2-CD2 4.25Å; I235-Y239 PolarHBondContact O-N 2.98Å
236T84.8Confident80.8Confident32 Ų3259.5 Ų59.520%0.19630%0.301CS..Hα-helixtrans-62.7-35.4178.3-50.70000113A232 G233 M234 Y239 K243A232-T236 PolarHBondContact O-N 3.34Å; A232-T236 VanDerWaalsContact O-N 3.07Å; A232-T236 PolarHBondContact O-OG1 3.47Å; A232-T236 VanDerWaalsContact O-OG1 3.07Å; G233-T236 PolarHBondContact O-N 3.1Å; M234-T236 VanDerWaalsContact C-N 3.35Å; M234-T236 PolarHBondContact O-N 2.75Å; T236-Y239 CarbonylContact O-C 3.55Å; T236-K243 HydrophobicContact CG2-CB 4.07Å; T236-K243 HydrophobicContact CG2-CG 4.27Å
237V83.1Confident78.4Confident18 Ų1870.9 Ų70.911%0.10934%0.344CS..Hα-helixtrans-76.9-41.1178.3174.50000111.3F7 Q10 G233 M234 I235 Y239F7-V237 HydrophobicContact CD2-CB 4.08Å; F7-V237 HydrophobicContact CD2-CG1 3.72Å; F7-V237 HydrophobicContact CE2-CB 4.14Å; F7-V237 HydrophobicContact CE2-CG1 4.05Å; Q10-V237 VanDerWaalsContact OE1-CG1 3.24Å; G233-V237 VanDerWaalsContact O-CG2 3.31Å; G233-V237 WeakPolarHBondContact O-CG2 3.27Å; G233-V237 PolarHBondContact O-N 2.96Å; G233-V237 VanDerWaalsContact O-N 3.1Å; M234-V237 PolarHBondContact O-N 3.45Å; I235-V237 VanDerWaalsContact C-N 3.31Å; I235-V237 PolarHBondContact O-N 3.06Å; V237-Y239 VanDerWaalsContact C-N 3.33Å
238A80.4Confident77.5Confident32 Ų3272.7 Ų72.726%0.26435%0.352SS..Hα-helixtrans-67.8-33.517900000112.4F7 M234 I235 P240F7-A238 HydrophobicContact CD2-CB 4.44Å; M234-A238 VanDerWaalsContact O-CB 3.3Å; M234-A238 WeakPolarHBondContact O-CB 3.25Å; M234-A238 PolarHBondContact O-N 3Å; I235-A238 PolarHBondContact O-N 3.25Å; A238-P240 WeakPolarHBondContact O-CD 3.13Å
239Y78.1Confident76.6Confident136 Ų13673.7 Ų73.753%0.53335%0.353SS..  trans-120.790.4178.7-60.2-78.8000110.3I235 T236 V237 Q241 M242I235-Y239 HydrophobicContact CG2-CD2 4.25Å; I235-Y239 PolarHBondContact O-N 2.98Å; T236-Y239 CarbonylContact O-C 3.55Å; V237-Y239 VanDerWaalsContact C-N 3.33Å; Y239-Q241 PolarHBondContact O-N 3.14Å; Y239-M242 WeakPolarHBondContact O-CA 3.09Å; Y239-M242 VanDerWaalsContact O-CB 3.3Å; Y239-M242 WeakPolarHBondContact O-CB 3.27Å; Y239-M242 PolarHBondContact O-N 3.24Å
240P71.1Confident75.6Confident88 Ų8877.8 Ų77.857%0.57137%0.373SS*.G310 helixtrans-58.6-23.1-179.5-24.933.7000114A238 M242 K243A238-P240 WeakPolarHBondContact O-CD 3.13Å; P240-M242 PolarHBondContact O-N 3.06Å; P240-K243 VanDerWaalsContact O-CB 3.28Å; P240-K243 WeakPolarHBondContact O-CB 3.21Å; P240-K243 PolarHBondContact O-N 2.96Å; P240-K243 VanDerWaalsContact O-N 3.13Å
241Q67.6Low74.5Confident185 Ų18582.4 Ų82.486%0.86440%0.395SS*.G310 helixtrans-67-20.4173.7-57.5-154.311.400113.2Y239 K243Y239-Q241 PolarHBondContact O-N 3.14Å; Q241-K243 VanDerWaalsContact C-N 3.3Å
242M61.7Low73.4Confident61 Ų6182.8 Ų82.830%0.340%0.395SS..G310 helixtrans-87.31175-59.8-67.4-116.200112.5P192 P193 L196 Y239 P240P192-M242 HydrophobicContact CB-CE 3.67Å; P192-M242 HydrophobicContact CB-SD 3.9Å; P192-M242 HydrophobicContact CG-CE 4.46Å; P193-M242 WeakPolarHBondContact CA-O 3.3Å; P193-M242 VanDerWaalsContact CB-O 3.28Å; P193-M242 WeakPolarHBondContact CB-O 3.35Å; L196-M242 HydrophobicContact CD1-CB 4.23Å; Y239-M242 WeakPolarHBondContact O-CA 3.09Å; Y239-M242 VanDerWaalsContact O-CB 3.3Å; Y239-M242 WeakPolarHBondContact O-CB 3.27Å; Y239-M242 PolarHBondContact O-N 3.24Å; P240-M242 PolarHBondContact O-N 3.06Å
243K63.3Low72.2Confident134 Ų13487.9 Ų87.958%0.58342%0.419SS*.SBendtrans-77.5123.6172.9-168.5178.2179.6-175.30108.6T236 P240 Q241 K245T236-K243 HydrophobicContact CG2-CB 4.07Å; T236-K243 HydrophobicContact CG2-CG 4.27Å; P240-K243 VanDerWaalsContact O-CB 3.28Å; P240-K243 WeakPolarHBondContact O-CB 3.21Å; P240-K243 PolarHBondContact O-N 2.96Å; P240-K243 VanDerWaalsContact O-N 3.13Å; Q241-K243 VanDerWaalsContact C-N 3.3Å; K243-K245 PolarHBondContact O-N 2.74Å; K243-K245 VanDerWaalsContact O-N 3.13Å
244L63.4Low71.2Confident48 Ų4894 Ų9425%0.25145%0.446SS..PPolyproline II helixtrans-62.2119.3175.8-170.475.7000108.7E141 P193 L194E141-L244 WeakPolarHBondContact OE2-CD2 3.21Å; P193-L244 HydrophobicContact CB-CB 3.98Å; P193-L244 HydrophobicContact CB-CD1 3.89Å; L194-L244 HydrophobicContact CB-CD1 4.22Å; L194-L244 HydrophobicContact CD1-CD2 4.38Å
245K66.4Low69.7Low176 Ų17698 Ų9877%0.76547%0.465SS*.PPolyproline II helixtrans-93.2117.8173.6-67.6-176.6-180-178.40107.4K243 R247K243-K245 PolarHBondContact O-N 2.74Å; K243-K245 VanDerWaalsContact O-N 3.13Å; K245-R247 PolarHBondContact O-N 2.54Å
246T55.6Low68.3Low62 Ų62101 Ų10138%0.3848%0.477SS..PPolyproline II helixtrans-62.7118.6163.6-16.10000107.2A77 P82 L86A77-T246 HydrophobicContact CB-CG2 3.81Å; P82-T246 HydrophobicContact CB-CG2 4.5Å; L86-T246 HydrophobicContact CD1-CG2 3.3Å
247R44.1Very low66.8Low240 Ų240107.3 Ų107.391%0.90650%0.503SS*.  trans-840166.2-84.7-172178.2-173.2-0.5109.5T78 K245T78-R247 WeakPolarHBondContact CB-OXT 3.29Å; T78-R247 PolarHBondContact N-O 3.38Å; T78-R247 PolarHBondContact N-OXT 2.87Å; T78-R247 PolarHBondContact OG1-OXT 3.38Å; K245-R247 PolarHBondContact O-N 2.54Å

Retrieved 247 of 247 residues in 976.8 ms (Link to these results)

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