TBC3E_HUMAN Loading...

TBC1 domain family member 3E

Acts as a GTPase activating protein for RAB5. Does not act on RAB4 or RAB11 (By similarity).

AlphaFold DB , UniProt , Accession A0A087X179, Species HUMAN (Homo sapiens, Human), Gene TBC1D3E, Length 549 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
1M56.3Low70.5Confident207 Ų207113.5 Ų113.5100%1.0261%0.612SS**  0-36.70-80.7174.3172.500110.1V3 V4M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.06Å; M1-V4 PolarHBondContact O-N 3.05Å
2D61Low72Confident121 Ų121107 Ų10765%0.64759%0.586SS**Hα-helixtrans-50.4-39.7179.9-53.3-11000116.3V4 E5 V6D2-V4 VanDerWaalsContact C-N 3.31Å; D2-V4 PolarHBondContact O-N 3.28Å; D2-E5 PolarHBondContact O-N 2.69Å; D2-V6 WeakPolarHBondContact O-CB 3.2Å; D2-V6 WeakPolarHBondContact O-CG2 3.31Å; D2-V6 PolarHBondContact O-N 3.17Å
3V63.9Low73.4Confident123 Ų123107.2 Ų107.275%0.74558%0.58SS**Hα-helixtrans-64.4-34.4-176.7-1770000112.6M1 A7M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.06Å; V3-A7 WeakPolarHBondContact O-CB 3.4Å; V3-A7 PolarHBondContact O-N 2.81Å
4V64.6Low74.5Confident118 Ų118103.6 Ų103.672%0.71556%0.558SS**Hα-helixtrans-75.8-38.9-179.3179.10000110.8M1 D2 A7 G8M1-V4 PolarHBondContact O-N 3.05Å; D2-V4 VanDerWaalsContact C-N 3.31Å; D2-V4 PolarHBondContact O-N 3.28Å; V4-A7 PolarHBondContact O-N 3.41Å; V4-G8 PolarHBondContact O-N 3.29Å
5E66.8Low75.8Confident145 Ų14599.9 Ų99.968%0.67853%0.533SS*.Hα-helixtrans-66.7-40.8175-74.1-172.2153.100112D2 G8 S9D2-E5 PolarHBondContact O-N 2.69Å; E5-G8 PolarHBondContact O-N 3.35Å; E5-S9 PolarHBondContact O-N 3.28Å; E5-S9 PolarHBondContact O-OG 3.36Å
6V69.3Low76.8Confident96 Ų9699.6 Ų99.658%0.58253%0.527SS*.Hα-helixtrans-65.2-40.9176.5173.40000111.3D2 S9 W10D2-V6 WeakPolarHBondContact O-CB 3.2Å; D2-V6 WeakPolarHBondContact O-CG2 3.31Å; D2-V6 PolarHBondContact O-N 3.17Å; V6-S9 PolarHBondContact O-OG 3.26Å; V6-W10 PolarHBondContact O-N 2.98Å
7A70.1Confident77.7Confident41 Ų4197.5 Ų97.534%0.33952%0.516SS..Hα-helixtrans-64.2-46.6174.500000111.1V3 V4 S9 W10 W11V3-A7 WeakPolarHBondContact O-CB 3.4Å; V3-A7 PolarHBondContact O-N 2.81Å; V4-A7 PolarHBondContact O-N 3.41Å; A7-S9 VanDerWaalsContact C-N 3.34Å; A7-S9 PolarHBondContact O-N 3.48Å; A7-W10 PolarHBondContact O-N 3.33Å; A7-W11 PolarHBondContact O-N 3.37Å
8G75Confident78.6Confident41 Ų4192.3 Ų92.342%0.42349%0.489SS..Hα-helixtrans-59.6-40.4179.400000113.6V4 E5 A12V4-G8 PolarHBondContact O-N 3.29Å; E5-G8 PolarHBondContact O-N 3.35Å; G8-A12 WeakPolarHBondContact O-CB 3.19Å; G8-A12 PolarHBondContact O-N 3.4Å; G8-A12 VanDerWaalsContact O-N 3.09Å
9S81.2Confident79.4Confident74 Ų7488.1 Ų88.152%0.51747%0.466SS..Hα-helixtrans-68.1-39176.870.50000112.3E5 V6 A7 A12 Q13E5-S9 PolarHBondContact O-N 3.28Å; E5-S9 PolarHBondContact O-OG 3.36Å; V6-S9 PolarHBondContact O-OG 3.26Å; A7-S9 VanDerWaalsContact C-N 3.34Å; A7-S9 PolarHBondContact O-N 3.48Å; S9-A12 PolarHBondContact O-N 3.05Å; S9-Q13 PolarHBondContact O-N 3.36Å
10W83.4Confident80.1Confident146 Ų14687.5 Ų87.555%0.55346%0.462SS*.Hα-helixtrans-64.5-44.8176.9-169.480.1000112.2V6 A7 A12 Q13 E14V6-W10 PolarHBondContact O-N 2.98Å; A7-W10 PolarHBondContact O-N 3.33Å; W10-A12 VanDerWaalsContact C-N 3.32Å; W10-A12 PolarHBondContact O-N 3.39Å; W10-Q13 PolarHBondContact O-N 2.78Å; W10-E14 PolarHBondContact O-N 3.48Å
11W83.8Confident80.7Confident136 Ų13686.5 Ų86.552%0.51545%0.454SS..Hα-helixtrans-63.3-37.8175.4-65.2118.2000112.5A7 R15A7-W11 PolarHBondContact O-N 3.37Å; W11-R15 WeakPolarHBondContact O-CB 3.42Å; W11-R15 PolarHBondContact O-N 3.21Å
12A88.2Confident82.4Confident36 Ų3676.7 Ų76.730%0.29841%0.405SS..Hα-helixtrans-66.4-41.2176.400000112.1G8 S9 W10 R15 E16G8-A12 WeakPolarHBondContact O-CB 3.19Å; G8-A12 PolarHBondContact O-N 3.4Å; G8-A12 VanDerWaalsContact O-N 3.09Å; S9-A12 PolarHBondContact O-N 3.05Å; W10-A12 VanDerWaalsContact C-N 3.32Å; W10-A12 PolarHBondContact O-N 3.39Å; A12-R15 PolarHBondContact O-N 3.47Å; A12-E16 PolarHBondContact O-N 3.17Å
13Q90.2Very high83.8Confident109 Ų10974.8 Ų74.851%0.50939%0.392SS..Hα-helixtrans-64.5-48177-174.361.148.200111.4S9 W10 R15 E16 D17S9-Q13 PolarHBondContact O-N 3.36Å; W10-Q13 PolarHBondContact O-N 2.78Å; Q13-R15 VanDerWaalsContact C-N 3.28Å; Q13-R15 PolarHBondContact O-N 2.94Å; Q13-E16 WeakPolarHBondContact O-CB 3.19Å; Q13-E16 PolarHBondContact O-N 2.95Å; Q13-E16 VanDerWaalsContact O-N 3.14Å; Q13-D17 PolarHBondContact NE2-OD1 3.47Å; Q13-D17 PolarHBondContact O-N 3.23Å
14E89.5Confident85Confident57 Ų5775 Ų7527%0.26638%0.383SS..Hα-helixtrans-63.9-36.4179.7-174.160.9-151.300111.6W10 D17 I18 Q143W10-E14 PolarHBondContact O-N 3.48Å; E14-D17 PolarHBondContact O-N 3.31Å; E14-I18 HydrophobicContact CG-CD1 4.41Å; E14-I18 WeakPolarHBondContact O-CG1 3.4Å; E14-I18 PolarHBondContact O-N 3.19Å; E14-Q143 HydrophobicContact CG-CG 4.3Å
15R93.3Very high85.8Confident49 Ų4969.9 Ų69.919%0.18536%0.355CS..Hα-helixtrans-59.8-49171.9175.8174.366.9-134.4-6.9111.2W11 A12 Q13 D17 I18 I19 K136 K137 S139 I142W11-R15 WeakPolarHBondContact O-CB 3.42Å; W11-R15 PolarHBondContact O-N 3.21Å; A12-R15 PolarHBondContact O-N 3.47Å; Q13-R15 VanDerWaalsContact C-N 3.28Å; Q13-R15 PolarHBondContact O-N 2.94Å; R15-D17 VanDerWaalsContact C-N 3.32Å; R15-D17 PolarHBondContact O-N 3.33Å; R15-I18 PolarHBondContact O-N 3.2Å; R15-I19 WeakPolarHBondContact O-CG1 3.48Å; R15-I19 PolarHBondContact O-N 2.66Å; R15-K136 VanDerWaalsContact CD-O 3.3Å; R15-K136 WeakPolarHBondContact CD-O 3.48Å; R15-K137 PolarHBondContact NE-O 3.46Å; R15-K137 PolarHBondContact NH1-O 2.98Å; R15-K137 PolarHBondContact NH2-O 3.14Å; R15-S139 WeakPolarHBondContact CD-O 3.2Å; R15-S139 PolarHBondContact NH1-O 2.81Å; R15-I142 HydrophobicContact CB-CD1 4.48Å; R15-I142 HydrophobicContact CB-CG2 3.91Å; R15-I142 HydrophobicContact CG-CB 4.49Å; R15-I142 HydrophobicContact CG-CD1 3.71Å; R15-I142 HydrophobicContact CG-CG2 3.94Å
16E92.9Very high85.9Confident94 Ų9467 Ų6744%0.43934%0.341SS..Hα-helixtrans-61-42.5178.9-169.360.1-150.200111.1A12 Q13 I18 I19 M20A12-E16 PolarHBondContact O-N 3.17Å; Q13-E16 WeakPolarHBondContact O-CB 3.19Å; Q13-E16 PolarHBondContact O-N 2.95Å; Q13-E16 VanDerWaalsContact O-N 3.14Å; E16-I18 VanDerWaalsContact C-N 3.34Å; E16-I18 PolarHBondContact O-N 3.18Å; E16-I19 PolarHBondContact O-N 2.98Å; E16-M20 HydrophobicContact CG-CG 4.36Å; E16-M20 VanDerWaalsContact O-CB 3.29Å; E16-M20 WeakPolarHBondContact O-CB 3.4Å; E16-M20 WeakPolarHBondContact O-CG 3.18Å; E16-M20 PolarHBondContact O-N 3.15Å
17D92.5Very high85.4Confident64 Ų6472.3 Ų72.334%0.34235%0.35SS..Hα-helixtrans-61.5-40.8177.9-71.2-6.3000112Q13 E14 R15 K21Q13-D17 PolarHBondContact NE2-OD1 3.47Å; Q13-D17 PolarHBondContact O-N 3.23Å; E14-D17 PolarHBondContact O-N 3.31Å; R15-D17 VanDerWaalsContact C-N 3.32Å; R15-D17 PolarHBondContact O-N 3.33Å; D17-K21 WeakPolarHBondContact O-CG 3.43Å; D17-K21 PolarHBondContact O-N 3.24Å; D17-K21 VanDerWaalsContact O-N 3.11Å
18I92.8Very high84.7Confident5 Ų571.8 Ų71.83%0.02635%0.346CS..Hα-helixtrans-65-49.8174.6-68.5167.8000110.7E14 R15 E16 M20 K21 Y22 I142 Q143 D146E14-I18 HydrophobicContact CG-CD1 4.41Å; E14-I18 WeakPolarHBondContact O-CG1 3.4Å; E14-I18 PolarHBondContact O-N 3.19Å; R15-I18 PolarHBondContact O-N 3.2Å; E16-I18 VanDerWaalsContact C-N 3.34Å; E16-I18 PolarHBondContact O-N 3.18Å; I18-M20 VanDerWaalsContact C-N 3.28Å; I18-M20 PolarHBondContact O-N 3.47Å; I18-K21 WeakPolarHBondContact O-CB 3.36Å; I18-K21 PolarHBondContact O-N 2.95Å; I18-K21 VanDerWaalsContact O-N 3.14Å; I18-Y22 HydrophobicContact CG2-CD2 4.07Å; I18-Y22 HydrophobicContact CG2-CE2 4.01Å; I18-Y22 WeakPolarHBondContact O-CD2 3.45Å; I18-Y22 PolarHBondContact O-N 3.18Å; I18-I142 HydrophobicContact CB-CD1 4.06Å; I18-I142 HydrophobicContact CB-CG1 4.45Å; I18-I142 HydrophobicContact CD1-CG2 4.34Å; I18-I142 HydrophobicContact CG2-CD1 3.83Å; I18-I142 HydrophobicContact CG2-CG1 3.95Å; I18-Q143 HydrophobicContact CD1-CB 4.47Å; I18-Q143 HydrophobicContact CD1-CG 3.85Å; I18-D146 HydrophobicContact CG2-CB 3.99Å
19I93.8Very high83.6Confident11 Ų1172.6 Ų72.66%0.05635%0.354CS..Hα-helixtrans-56.9-46178.3-67.6-58.1000110.4R15 E16 K21 Y22 E23 K136 I142 L171 L175R15-I19 WeakPolarHBondContact O-CG1 3.48Å; R15-I19 PolarHBondContact O-N 2.66Å; E16-I19 PolarHBondContact O-N 2.98Å; I19-K21 VanDerWaalsContact C-N 3.3Å; I19-K21 PolarHBondContact O-N 2.78Å; I19-Y22 PolarHBondContact O-N 3.26Å; I19-E23 HydrophobicContact CG2-CG 4.09Å; I19-E23 WeakPolarHBondContact O-CG 3.47Å; I19-E23 PolarHBondContact O-N 3.25Å; I19-K136 HydrophobicContact CD1-CB 4.22Å; I19-K136 HydrophobicContact CD1-CG 3.93Å; I19-K136 HydrophobicContact CG1-CB 4.46Å; I19-K136 HydrophobicContact CG2-CD 4.44Å; I19-I142 HydrophobicContact CD1-CD1 3.52Å; I19-I142 HydrophobicContact CG1-CD1 3.69Å; I19-L171 HydrophobicContact CD1-CD2 3.99Å; I19-L175 HydrophobicContact CD1-CD1 3.89Å
20M92.8Very high82.5Confident76 Ų7673.5 Ų73.537%0.37435%0.353SS..Hα-helixtrans-60.2-35.4178.7-76.9-64.7-67.900113.2E16 I18 K24E16-M20 HydrophobicContact CG-CG 4.36Å; E16-M20 VanDerWaalsContact O-CB 3.29Å; E16-M20 WeakPolarHBondContact O-CB 3.4Å; E16-M20 WeakPolarHBondContact O-CG 3.18Å; E16-M20 PolarHBondContact O-N 3.15Å; I18-M20 VanDerWaalsContact C-N 3.28Å; I18-M20 PolarHBondContact O-N 3.47Å; M20-K24 WeakPolarHBondContact O-CB 3.5Å; M20-K24 VanDerWaalsContact O-CG 3.29Å; M20-K24 WeakPolarHBondContact O-CG 3.41Å; M20-K24 PolarHBondContact O-N 3.05Å
21K92.6Very high81.1Confident68 Ų6871.3 Ų71.330%0.29636%0.358SS..Hα-helixtrans-63.9-42.5173.3-72168.1-173.4172.50111.7D17 I18 I19 G25 Y163D17-K21 WeakPolarHBondContact O-CG 3.43Å; D17-K21 PolarHBondContact O-N 3.24Å; D17-K21 VanDerWaalsContact O-N 3.11Å; I18-K21 WeakPolarHBondContact O-CB 3.36Å; I18-K21 PolarHBondContact O-N 2.95Å; I18-K21 VanDerWaalsContact O-N 3.14Å; I19-K21 VanDerWaalsContact C-N 3.3Å; I19-K21 PolarHBondContact O-N 2.78Å; K21-G25 PolarHBondContact O-N 3.34Å; K21-Y163 HydrophobicContact CB-CD1 3.99Å; K21-Y163 HydrophobicContact CB-CD2 4.45Å; K21-Y163 HydrophobicContact CB-CE1 3.79Å; K21-Y163 HydrophobicContact CB-CE2 4.26Å; K21-Y163 HydrophobicContact CB-CG 4.33Å; K21-Y163 HydrophobicContact CD-CE1 4.42Å; K21-Y163 HydrophobicContact CD-CE2 4.45Å
22Y92.6Very high79.8Confident1 Ų172.9 Ų72.90%0.00437%0.371CS..Hα-helixtrans-69.3-38.5177-82.4-85.2000113.1I18 I19 G25 D146 V149 Y163 Q167 R168 L171I18-Y22 HydrophobicContact CG2-CD2 4.07Å; I18-Y22 HydrophobicContact CG2-CE2 4.01Å; I18-Y22 WeakPolarHBondContact O-CD2 3.45Å; I18-Y22 PolarHBondContact O-N 3.18Å; I19-Y22 PolarHBondContact O-N 3.26Å; Y22-G25 PolarHBondContact O-N 3.03Å; Y22-D146 HydrophobicContact CE2-CB 4.44Å; Y22-D146 WeakPolarHBondContact CE2-OD1 3.47Å; Y22-D146 PolarHBondContact OH-OD1 2.95Å; Y22-D146 VanDerWaalsContact OH-OD1 3.09Å; Y22-V149 HydrophobicContact CE1-CG1 4.26Å; Y22-V149 WeakPolarHBondContact OH-CB 3.32Å; Y22-V149 WeakPolarHBondContact OH-CG1 3.29Å; Y22-Y163 AromaticContact CD1-CD1 3.93Å; Y22-Y163 HydrophobicContact CD1-CD1 3.93Å; Y22-Y163 AromaticContact CD2-CD1 3.73Å; Y22-Y163 HydrophobicContact CD2-CD1 3.73Å; Y22-Y163 AromaticContact CD2-CE1 3.94Å; Y22-Y163 HydrophobicContact CD2-CE1 3.94Å; Y22-Y163 AromaticContact CE1-CD1 3.97Å; Y22-Y163 HydrophobicContact CE1-CD1 3.97Å; Y22-Y163 AromaticContact CE2-CD1 3.75Å; Y22-Y163 HydrophobicContact CE2-CD1 3.75Å; Y22-Y163 AromaticContact CE2-CE1 3.7Å; Y22-Y163 HydrophobicContact CE2-CE1 3.7Å; Y22-Y163 AromaticContact CG-CD1 3.84Å; Y22-Y163 HydrophobicContact CG-CD1 3.84Å; Y22-Y163 AromaticContact CZ-CD1 3.89Å; Y22-Q167 HydrophobicContact CE1-CB 3.98Å; Y22-Q167 WeakPolarHBondContact CE1-O 3.16Å; Y22-R168 HydrophobicContact CD1-CB 3.94Å; Y22-R168 HydrophobicContact CD1-CG 4.47Å; Y22-R168 WeakPolarHBondContact O-CD 3.38Å; Y22-L171 HydrophobicContact CD1-CB 4.31Å; Y22-L171 HydrophobicContact CD1-CD2 4.12Å; Y22-L171 HydrophobicContact CD2-CD1 4.4Å; Y22-L171 HydrophobicContact CD2-CD2 3.52Å; Y22-L171 HydrophobicContact CD2-CG 4.45Å; Y22-L171 HydrophobicContact CE1-CB 4.05Å; Y22-L171 HydrophobicContact CE1-CD2 4.39Å; Y22-L171 HydrophobicContact CE2-CD1 3.87Å; Y22-L171 HydrophobicContact CE2-CD2 3.86Å; Y22-L171 HydrophobicContact CE2-CG 4.33Å; Y22-L171 HydrophobicContact CG-CD2 3.65Å
23E90.8Very high78.3Confident81 Ų8171.6 Ų71.638%0.37936%0.359SS..Hα-helixtrans-68.2-39.6177.8-65.9-62.8173.100112.1I19 G25 K136 H172I19-E23 HydrophobicContact CG2-CG 4.09Å; I19-E23 WeakPolarHBondContact O-CG 3.47Å; I19-E23 PolarHBondContact O-N 3.25Å; E23-G25 PolarHBondContact O-N 3.4Å; E23-K136 IonicContact OE1-NZ 3.97Å; E23-K136 PolarHBondContact OE1-NZ 3.23Å; E23-H172 IonicContact OE1-NE2 2.8Å
24K88.2Confident76.4Confident127 Ų12773 Ų7355%0.55236%0.363SS*.Hα-helixtrans-67.9-24.7172.1-72.8173.8178172.10112.9M20M20-K24 WeakPolarHBondContact O-CB 3.5Å; M20-K24 VanDerWaalsContact O-CG 3.29Å; M20-K24 WeakPolarHBondContact O-CG 3.41Å; M20-K24 PolarHBondContact O-N 3.05Å
25G82.6Confident74.6Confident11 Ų1170.8 Ų70.811%0.11336%0.356CS..G310 helixtrans60.3-155.8-174.100000113K21 Y22 E23 R27 A28 Y163K21-G25 PolarHBondContact O-N 3.34Å; Y22-G25 PolarHBondContact O-N 3.03Å; E23-G25 PolarHBondContact O-N 3.4Å; G25-R27 PolarHBondContact O-N 3.17Å; G25-A28 PolarHBondContact O-N 3Å; G25-Y163 WeakPolarHBondContact CA-O 3.37Å
26H68.4Low72.7Confident84 Ų8472.2 Ų72.239%0.38937%0.372SS..G310 helixtrans-60.3-7.2-178.5-162.964.3000114.8A28 D33 R162H26-A28 PolarHBondContact O-N 2.96Å; H26-D33 PolarHBondContact CE1-O 3.37Å; H26-D33 PolarHBondContact ND1-O 2.72Å; H26-R162 PolarHBondContact ND1-O 3.31Å
27R59.6Low70.4Confident207 Ų20776.8 Ų76.878%0.78139%0.39SS*.G310 helixtrans-75.6-2.4176.4-65.8-174.4-178.8-169.21.7113.9G25 G29G25-R27 PolarHBondContact O-N 3.17Å; R27-G29 PolarHBondContact O-N 3.47Å; R27-G29 VanDerWaalsContact O-N 3.07Å
28A55.4Low68.1Low30 Ų3078.5 Ų78.525%0.24841%0.405CS..G310 helixtrans-63.1-11179.300000114.9G25 H26 L30 D33G25-A28 PolarHBondContact O-N 3Å; H26-A28 PolarHBondContact O-N 2.96Å; A28-L30 PolarHBondContact O-N 3.19Å; A28-D33 VanDerWaalsContact CB-OD2 3.24Å; A28-D33 WeakPolarHBondContact CB-OD2 3.3Å
29G51.1Low65.6Low58 Ų5883 Ų8360%0.59842%0.424SS*.  trans74.8-4.516000000116.5R27R27-G29 PolarHBondContact O-N 3.47Å; R27-G29 VanDerWaalsContact O-N 3.07Å
30L58.8Low63Low93 Ų9393.5 Ų93.549%0.48746%0.463SS..  trans-77.6144.1179.6-68.7166.8000111.5A28 E32 D33A28-L30 PolarHBondContact O-N 3.19Å; L30-E32 PolarHBondContact O-N 2.97Å; L30-D33 PolarHBondContact O-N 3.07Å; L30-D33 VanDerWaalsContact O-N 3.11Å
31P54.3Low60.6Low101 Ų10192.8 Ų92.866%0.65647%0.466SS*.THydrogen-bonded Turntrans-56.3-30.2176.1-23.833000113.7D33 K34P31-D33 VanDerWaalsContact C-N 3.35Å; P31-K34 WeakPolarHBondContact O-CB 3.04Å; P31-K34 PolarHBondContact O-N 3.09Å
32E55.1Low58.7Low169 Ų16992.2 Ų92.279%0.7946%0.462SS*.THydrogen-bonded Turntrans-74.2-25.5-179.7-62.3179.417700112.8L30 K34L30-E32 PolarHBondContact O-N 2.97Å; E32-K34 VanDerWaalsContact C-N 3.26Å
33D57.1Low57.2Low9 Ų997.1 Ų97.15%0.04849%0.488CS..THydrogen-bonded Turntrans-79.9-15.1176.8-57.2-15.9000111.5H26 A28 L30 P31 G35 R162 Y163H26-D33 PolarHBondContact CE1-O 3.37Å; H26-D33 PolarHBondContact ND1-O 2.72Å; A28-D33 VanDerWaalsContact CB-OD2 3.24Å; A28-D33 WeakPolarHBondContact CB-OD2 3.3Å; L30-D33 PolarHBondContact O-N 3.07Å; L30-D33 VanDerWaalsContact O-N 3.11Å; P31-D33 VanDerWaalsContact C-N 3.35Å; D33-G35 PolarHBondContact O-N 3.46Å; D33-R162 WeakPolarHBondContact O-CB 3.32Å; D33-Y163 HydrophobicContact CB-CD2 4.32Å; D33-Y163 HydrophobicContact CB-CE2 4.37Å; D33-Y163 WeakPolarHBondContact OD1-CE2 3.22Å
34K49.6Very low56Low137 Ų13797 Ų9760%0.59649%0.49SS*.  trans-72101.2174.4-61.3-177.6-176.1176.30107.8P31 E32P31-K34 WeakPolarHBondContact O-CB 3.04Å; P31-K34 PolarHBondContact O-N 3.09Å; E32-K34 VanDerWaalsContact C-N 3.26Å
35G52Low55.5Low11 Ų1191.1 Ų91.111%0.11347%0.465CS..  trans-51.7174.7162.100000111.4D33 K37D33-G35 PolarHBondContact O-N 3.46Å; G35-K37 PolarHBondContact O-N 3.31Å; G35-K37 VanDerWaalsContact O-N 3.12Å
36P53.1Low55.4Low80 Ų8092.1 Ų92.152%0.51947%0.469SS..SBendtrans-48.2127.4-178.6-19.126.9000109.6R160P36-R160 PolarHBondContact O-NH2 2.95Å
37K45.6Very low56Low189 Ų18989.8 Ų89.882%0.82246%0.459SS*.  trans-31.5131.2-170.6-73.6179.2179.71750111.6G35 F39 R160G35-K37 PolarHBondContact O-N 3.31Å; G35-K37 VanDerWaalsContact O-N 3.12Å; K37-F39 PolarHBondContact O-N 3.27Å; K37-R160 PolarHBondContact O-NH2 3.44Å
38P43.6Very low56.9Low100 Ų10083.4 Ų83.465%0.64944%0.438SS*.  trans-51114.6179.5-2330.3000109.2R40P38-R40 PolarHBondContact O-N 3.2Å
39F40.2Very low58Low100 Ų10082.9 Ų82.944%0.43943%0.431SS..  trans-74.6122.6179.9-134.6-93.5000106.6K37 S41 N45 E54K37-F39 PolarHBondContact O-N 3.27Å; F39-S41 PolarHBondContact O-N 3.06Å; F39-N45 WeakPolarHBondContact CD1-ND2 3.48Å; F39-N45 VanDerWaalsContact CE1-ND2 3.27Å; F39-N45 WeakPolarHBondContact CE1-ND2 3.27Å; F39-E54 VanDerWaalsContact CZ-O 3.26Å; F39-E54 WeakPolarHBondContact CZ-O 3.35Å
40R40.1Very low59.6Low231 Ų23180.1 Ų80.187%0.87240%0.403SS*.SBendtrans-63.4122.3172.1-79.2-173.3-170.4-149.32.9107.1P38P38-R40 PolarHBondContact O-N 3.2Å
41S42.5Very low60.8Low61 Ų6177.1 Ų77.143%0.42739%0.386SS..  trans80.589.9-176.6-157.90000115.4F39 N43F39-S41 PolarHBondContact O-N 3.06Å; S41-N43 VanDerWaalsContact C-N 3.28Å; S41-N43 PolarHBondContact O-N 3.39Å
42Y52.5Low62.2Low57 Ų5773.6 Ų73.622%0.22436%0.363CS..SBendtrans-69.8-22.7171.8-73.8-76.2000113.2N44 V46 I157Y42-N44 PolarHBondContact O-N 3.21Å; Y42-V46 WeakPolarHBondContact O-CG2 3.05Å; Y42-I157 HydrophobicContact CD1-CD1 4.11Å
43N60.4Low63.4Low103 Ų10368.8 Ų68.855%0.55134%0.34SS*.THydrogen-bonded Turntrans-71.5-28.5-166.1-80.5-4.1000114.1S41S41-N43 VanDerWaalsContact C-N 3.28Å; S41-N43 PolarHBondContact O-N 3.39Å
44N65.4Low64.4Low78 Ų7876.7 Ų76.742%0.41738%0.377SS..THydrogen-bonded Turntrans-96.7-13.7-174.9-65-7000113.9Y42 E56 L57Y42-N44 PolarHBondContact O-N 3.21Å; N44-E56 HydrophobicContact CB-CB 4.36Å; N44-E56 HydrophobicContact CB-CG 3.93Å; N44-E56 PolarHBondContact ND2-OE1 2.72Å; N44-L57 PolarHBondContact O-N 3.41Å
45N78.7Confident65.8Low5 Ų575.1 Ų75.13%0.02738%0.379CS..THydrogen-bonded Turntrans-106.8-4.4-172.9-69.821.2000113.3F39 H53 E56F39-N45 WeakPolarHBondContact CD1-ND2 3.48Å; F39-N45 VanDerWaalsContact CE1-ND2 3.27Å; F39-N45 WeakPolarHBondContact CE1-ND2 3.27Å; N45-H53 WeakPolarHBondContact CB-O 3.37Å; N45-H53 PolarHBondContact ND2-O 3.18Å; N45-H53 WeakPolarHBondContact O-CB 3.35Å; N45-H53 PolarHBondContact O-CD2 3.01Å; N45-H53 PolarHBondContact O-N 2.68Å; N45-E56 WeakPolarHBondContact OD1-CA 3.22Å; N45-E56 VanDerWaalsContact OD1-CG 3.27Å; N45-E56 WeakPolarHBondContact OD1-CG 3.46Å; N45-E56 PolarHBondContact OD1-N 3.02Å
46V80.9Confident67.1Low32 Ų3280.5 Ų80.519%0.19440%0.401CS..BIsolated β-bridgetrans-106.4124.5-174.6-1790000109.4Y42 I51 V52 I157Y42-V46 WeakPolarHBondContact O-CG2 3.05Å; V46-I51 CarbonylContact C-O 3.3Å; V46-I51 WeakPolarHBondContact CA-O 3.27Å; V46-V52 HydrophobicContact CG2-CG2 4.07Å; V46-I157 HydrophobicContact CG2-CD1 4.27Å
47D79.4Confident68.2Low34 Ų3479.6 Ų79.618%0.18239%0.392CS..  trans-73.9171.9179.179.81.6000112.2L49 G50 I51 H53 L57D47-L49 PolarHBondContact O-N 2.81Å; D47-L49 VanDerWaalsContact OD1-C 3.3Å; D47-L49 VanDerWaalsContact OD1-CA 3.26Å; D47-L49 WeakPolarHBondContact OD1-CA 3.2Å; D47-L49 WeakPolarHBondContact OD1-CB 3.46Å; D47-L49 PolarHBondContact OD1-N 3.06Å; D47-G50 PolarHBondContact O-N 3.32Å; D47-G50 PolarHBondContact OD1-N 3.06Å; D47-I51 PolarHBondContact N-O 3.25Å; D47-I51 WeakPolarHBondContact OD1-CB 3.43Å; D47-I51 PolarHBondContact OD1-N 3.39Å; D47-H53 IonicContact OD2-NE2 3.44Å; D47-L57 HydrophobicContact CB-CD1 3.83Å
48H78.7Confident69.8Low74 Ų7475.6 Ų75.634%0.34339%0.385SS..THydrogen-bonded Turntrans-62.5-11.4177.572.8-73.5000113.9R470H48-R470 PolarHBondContact O-NH1 3.28Å
49L80Confident71.4Confident19 Ų1976.5 Ų76.510%0.09939%0.391CS..THydrogen-bonded Turntrans-96.5-4.5174.3-56.7180000112.7D47 I51 M104 H156 L279 L283D47-L49 PolarHBondContact O-N 2.81Å; D47-L49 VanDerWaalsContact OD1-C 3.3Å; D47-L49 VanDerWaalsContact OD1-CA 3.26Å; D47-L49 WeakPolarHBondContact OD1-CA 3.2Å; D47-L49 WeakPolarHBondContact OD1-CB 3.46Å; D47-L49 PolarHBondContact OD1-N 3.06Å; L49-I51 HydrophobicContact CB-CG1 4.35Å; L49-M104 HydrophobicContact CD2-CE 3.24Å; L49-H156 PolarHBondContact O-CD2 3Å; L49-H156 PolarHBondContact O-NE2 3.35Å; L49-L279 HydrophobicContact CB-CD2 4.23Å; L49-L279 HydrophobicContact CD1-CB 4.18Å; L49-L283 HydrophobicContact CD2-CD1 4.46Å
50G84Confident73.1Confident0 Ų077 Ų770%040%0.397CS..SBendtrans88.110.6-176.200000114.3D47 H156 I157D47-G50 PolarHBondContact O-N 3.32Å; D47-G50 PolarHBondContact OD1-N 3.06Å; G50-H156 CarbonylContact O-C 3.58Å; G50-H156 WeakPolarHBondContact O-CA 3.39Å; G50-I157 PolarHBondContact O-N 2.53Å
51I84Confident75.1Confident29 Ų2969.4 Ų69.415%0.14938%0.377CS..BIsolated β-bridgetrans-80127.5175.6-56.6-59.1000109.9V46 D47 L49 H53 K155 H156 L279V46-I51 CarbonylContact C-O 3.3Å; V46-I51 WeakPolarHBondContact CA-O 3.27Å; D47-I51 PolarHBondContact N-O 3.25Å; D47-I51 WeakPolarHBondContact OD1-CB 3.43Å; D47-I51 PolarHBondContact OD1-N 3.39Å; L49-I51 HydrophobicContact CB-CG1 4.35Å; I51-H53 PolarHBondContact O-CD2 2.95Å; I51-K155 CarbonylContact C-O 3.58Å; I51-K155 WeakPolarHBondContact CA-O 3.38Å; I51-K155 HydrophobicContact CG2-CB 4.06Å; I51-H156 HydrophobicContact CD1-CB 4.12Å; I51-L279 HydrophobicContact CD1-CB 4.34Å; I51-L279 HydrophobicContact CD1-CD2 3.73Å; I51-L279 HydrophobicContact CG1-CD2 4.25Å
52V83Confident77Confident28 Ų2870.4 Ų70.417%0.1739%0.389CS..BIsolated β-bridgetrans-84.8129.2176.5-1740000109.7V46 K155 I157V46-V52 HydrophobicContact CG2-CG2 4.07Å; V52-K155 PolarHBondContact N-O 3.1Å; V52-I157 HydrophobicContact CG2-CB 4.1Å; V52-I157 HydrophobicContact CG2-CG1 4.49Å
53H80.4Confident78.3Confident67 Ų6774.1 Ų74.131%0.3140%0.403SS..PPolyproline II helixtrans-103.7151.8172.7-64.2-95.3000111N45 D47 I51 T55 L57N45-H53 WeakPolarHBondContact CB-O 3.37Å; N45-H53 PolarHBondContact ND2-O 3.18Å; N45-H53 WeakPolarHBondContact O-CB 3.35Å; N45-H53 PolarHBondContact O-CD2 3.01Å; N45-H53 PolarHBondContact O-N 2.68Å; D47-H53 IonicContact OD2-NE2 3.44Å; I51-H53 PolarHBondContact O-CD2 2.95Å; H53-T55 VanDerWaalsContact C-N 3.3Å; H53-T55 WeakPolarHBondContact CB-O 3.46Å; H53-L57 HydrophobicContact CB-CD2 4.29Å
54E78.6Confident79.2Confident175 Ų17573.3 Ų73.382%0.81840%0.396SS*.SBendtrans-70.1-31.4177.1-66.9178.8177.700112F39F39-E54 VanDerWaalsContact CZ-O 3.26Å; F39-E54 WeakPolarHBondContact CZ-O 3.35Å
55T79.8Confident79.9Confident104 Ų10471.1 Ų71.164%0.63839%0.388SS*.SBendtrans-108.6155.8178.758.40000110.7H53 L57H53-T55 VanDerWaalsContact C-N 3.3Å; H53-T55 WeakPolarHBondContact CB-O 3.46Å; T55-L57 PolarHBondContact O-N 3.19Å
56E78.4Confident80.3Confident124 Ų12476.1 Ų76.158%0.57941%0.41SS*.PPolyproline II helixtrans-54.9137.1167.9-67.2-166.7144.400110.5N44 N45N44-E56 HydrophobicContact CB-CB 4.36Å; N44-E56 HydrophobicContact CB-CG 3.93Å; N44-E56 PolarHBondContact ND2-OE1 2.72Å; N45-E56 WeakPolarHBondContact OD1-CA 3.22Å; N45-E56 VanDerWaalsContact OD1-CG 3.27Å; N45-E56 WeakPolarHBondContact OD1-CG 3.46Å; N45-E56 PolarHBondContact OD1-N 3.02Å
57L76.3Confident80.3Confident62 Ų6277.4 Ų77.433%0.32541%0.414SS..PPolyproline II helixtrans-73.3139.4176.7-72.6172.1000109.4N44 D47 H53 T55N44-L57 PolarHBondContact O-N 3.41Å; D47-L57 HydrophobicContact CB-CD1 3.83Å; H53-L57 HydrophobicContact CB-CD2 4.29Å; T55-L57 PolarHBondContact O-N 3.19Å
58P79.1Confident80.4Confident104 Ų10477 Ų7768%0.67541%0.411SS*.PPolyproline II helixtrans-60.9155.6170.728.3-34.4000110L60P58-L60 PolarHBondContact O-N 2.91Å
59P77.1Confident80.7Confident119 Ų11981.5 Ų81.577%0.77343%0.425SS*.PPolyproline II helixtrans-51.8140.1172.2-25.133.6000111.2T61P59-T61 PolarHBondContact O-N 2.87Å
60L76.1Confident81Confident110 Ų11086.7 Ų86.758%0.57644%0.444SS*.PPolyproline II helixtrans-51.2124.8178.9-75.8170.7000110.4P58 E64 I68P58-L60 PolarHBondContact O-N 2.91Å; L60-E64 HydrophobicContact CD2-CB 4.06Å; L60-I68 HydrophobicContact CD1-CD1 4.09Å; L60-I68 HydrophobicContact CD2-CD1 4.25Å
61T81.9Confident81Confident72 Ų7288.4 Ų88.444%0.44245%0.452SS..PPolyproline II helixtrans-65152.4175.264.40000110P59 R63 E64 A65P59-T61 PolarHBondContact O-N 2.87Å; T61-R63 PolarHBondContact O-N 2.98Å; T61-E64 WeakPolarHBondContact CB-OE2 3.34Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.4Å; T61-E64 PolarHBondContact N-OE2 2.62Å; T61-E64 PolarHBondContact O-N 3.48Å; T61-E64 VanDerWaalsContact OG1-CG 3.28Å; T61-E64 WeakPolarHBondContact OG1-CG 3.31Å; T61-E64 PolarHBondContact OG1-N 2.87Å; T61-E64 PolarHBondContact OG1-OE2 2.84Å; T61-A65 PolarHBondContact O-N 3.29Å
62A82.3Confident80.9Confident83 Ų8390.4 Ų90.469%0.68646%0.462SS*.Hα-helixtrans-54.9-29.1175.700000112.7K66A62-K66 VanDerWaalsContact O-CB 3.22Å; A62-K66 WeakPolarHBondContact O-CB 3.34Å; A62-K66 PolarHBondContact O-N 3.48Å
63R79.3Confident81.1Confident134 Ų13493.1 Ų93.151%0.50648%0.482SS..Hα-helixtrans-68.8-48.1175-176.5178.9173.9179-3.1111.9T61 K66 Q67 R334 D335T61-R63 PolarHBondContact O-N 2.98Å; R63-K66 WeakPolarHBondContact O-CB 3.34Å; R63-K66 PolarHBondContact O-N 2.65Å; R63-Q67 PolarHBondContact O-N 3.24Å; R63-R334 PolarHBondContact NH2-O 2.54Å; R63-D335 IonicContact NH2-OD1 3.93Å; R63-D335 PolarHBondContact NH2-OD1 3.33Å
64E79.5Confident81.5Confident87 Ų8792.2 Ų92.241%0.40748%0.476SS..Hα-helixtrans-64.3-45.9177.7-71.4157.7155.200110.9L60 T61 K66 Q67 I68L60-E64 HydrophobicContact CD2-CB 4.06Å; T61-E64 WeakPolarHBondContact CB-OE2 3.34Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.4Å; T61-E64 PolarHBondContact N-OE2 2.62Å; T61-E64 PolarHBondContact O-N 3.48Å; T61-E64 VanDerWaalsContact OG1-CG 3.28Å; T61-E64 WeakPolarHBondContact OG1-CG 3.31Å; T61-E64 PolarHBondContact OG1-N 2.87Å; T61-E64 PolarHBondContact OG1-OE2 2.84Å; E64-K66 PolarHBondContact O-N 3.22Å; E64-Q67 WeakPolarHBondContact O-CA 3.41Å; E64-Q67 WeakPolarHBondContact O-CB 3.35Å; E64-Q67 PolarHBondContact O-N 3.49Å; E64-I68 WeakPolarHBondContact O-CG1 3.26Å; E64-I68 PolarHBondContact O-N 3.39Å
65A81.4Confident82.1Confident31 Ų3186.5 Ų86.526%0.25645%0.448SS..Hα-helixtrans-60-34.8175.100000112.3T61 R69T61-A65 PolarHBondContact O-N 3.29Å; A65-R69 WeakPolarHBondContact O-CB 3.39Å; A65-R69 VanDerWaalsContact O-CG 3.32Å; A65-R69 WeakPolarHBondContact O-CG 3.17Å; A65-R69 PolarHBondContact O-N 3.1Å; A65-R69 VanDerWaalsContact O-N 3.13Å; A65-R69 PolarHBondContact O-NE 3.13Å
66K85.3Confident82.6Confident110 Ų11085 Ų8548%0.47844%0.442SS..Hα-helixtrans-69.8-36.8173.2-174.6177.3-172.6175.20111.9A62 R63 E64 R70A62-K66 VanDerWaalsContact O-CB 3.22Å; A62-K66 WeakPolarHBondContact O-CB 3.34Å; A62-K66 PolarHBondContact O-N 3.48Å; R63-K66 WeakPolarHBondContact O-CB 3.34Å; R63-K66 PolarHBondContact O-N 2.65Å; E64-K66 PolarHBondContact O-N 3.22Å; K66-R70 VanDerWaalsContact O-CG 3.25Å; K66-R70 WeakPolarHBondContact O-CG 3.44Å; K66-R70 PolarHBondContact O-N 2.98Å
67Q81.9Confident83.3Confident59 Ų5984 Ų8428%0.27644%0.436SS..Hα-helixtrans-66.4-48.6175.8-179.2173.1-12.500111.3R63 E64 R69 R70 E71R63-Q67 PolarHBondContact O-N 3.24Å; E64-Q67 WeakPolarHBondContact O-CA 3.41Å; E64-Q67 WeakPolarHBondContact O-CB 3.35Å; E64-Q67 PolarHBondContact O-N 3.49Å; Q67-R69 VanDerWaalsContact C-N 3.32Å; Q67-R69 PolarHBondContact O-N 2.99Å; Q67-R70 WeakPolarHBondContact O-CA 3.24Å; Q67-R70 WeakPolarHBondContact O-CB 3.48Å; Q67-R70 PolarHBondContact O-N 3.3Å; Q67-E71 PolarHBondContact NE2-OE1 2.79Å; Q67-E71 PolarHBondContact O-N 3.44Å
68I80.6Confident84.1Confident26 Ų2681 Ų8113%0.13342%0.42CS..Hα-helixtrans-56.5-47176.3-66.5167.7000110.3L60 E64 R70 E71 I72 Y472L60-I68 HydrophobicContact CD1-CD1 4.09Å; L60-I68 HydrophobicContact CD2-CD1 4.25Å; E64-I68 WeakPolarHBondContact O-CG1 3.26Å; E64-I68 PolarHBondContact O-N 3.39Å; I68-R70 VanDerWaalsContact C-N 3.32Å; I68-R70 PolarHBondContact O-N 2.98Å; I68-E71 PolarHBondContact O-N 3.15Å; I68-I72 HydrophobicContact CG2-CD1 3.83Å; I68-I72 HydrophobicContact CG2-CG1 4.48Å; I68-I72 WeakPolarHBondContact O-CG1 3.26Å; I68-I72 PolarHBondContact O-N 2.94Å; I68-Y472 HydrophobicContact CG2-CE1 4.11Å
69R85.3Confident84.8Confident168 Ų16879.4 Ų79.463%0.63441%0.408SS*.Hα-helixtrans-58.9-40.7175.3-77.7-176.7-75.8173.9-7.8113.1A65 Q67 I72 S73A65-R69 WeakPolarHBondContact O-CB 3.39Å; A65-R69 VanDerWaalsContact O-CG 3.32Å; A65-R69 WeakPolarHBondContact O-CG 3.17Å; A65-R69 PolarHBondContact O-N 3.1Å; A65-R69 VanDerWaalsContact O-N 3.13Å; A65-R69 PolarHBondContact O-NE 3.13Å; Q67-R69 VanDerWaalsContact C-N 3.32Å; Q67-R69 PolarHBondContact O-N 2.99Å; R69-I72 PolarHBondContact O-N 3.47Å; R69-S73 WeakPolarHBondContact O-CB 3.13Å; R69-S73 PolarHBondContact O-N 2.84Å
70R86.4Confident85.6Confident129 Ų12977.7 Ų77.749%0.48739%0.393SS..Hα-helixtrans-65.4-40.9176.3-76.1167.9171.4-173.8-4.3111.6K66 Q67 I68 S73 R74K66-R70 VanDerWaalsContact O-CG 3.25Å; K66-R70 WeakPolarHBondContact O-CG 3.44Å; K66-R70 PolarHBondContact O-N 2.98Å; Q67-R70 WeakPolarHBondContact O-CA 3.24Å; Q67-R70 WeakPolarHBondContact O-CB 3.48Å; Q67-R70 PolarHBondContact O-N 3.3Å; I68-R70 VanDerWaalsContact C-N 3.32Å; I68-R70 PolarHBondContact O-N 2.98Å; R70-S73 PolarHBondContact O-N 2.96Å; R70-S73 PolarHBondContact O-OG 2.9Å; R70-R74 WeakPolarHBondContact O-CG 3.5Å; R70-R74 PolarHBondContact O-N 3.09Å
71E83.7Confident86.5Confident36 Ų3672.5 Ų72.517%0.16837%0.365CS..Hα-helixtrans-62.5-48.8175.9-72175.8-16600110.7Q67 I68 S73 R74 P103Q67-E71 PolarHBondContact NE2-OE1 2.79Å; Q67-E71 PolarHBondContact O-N 3.44Å; I68-E71 PolarHBondContact O-N 3.15Å; E71-S73 VanDerWaalsContact C-N 3.32Å; E71-S73 PolarHBondContact O-N 3.31Å; E71-R74 WeakPolarHBondContact O-CB 3.42Å; E71-R74 PolarHBondContact O-N 3.03Å; E71-P103 WeakPolarHBondContact O-CG 3.39Å
72I81.7Confident87Confident70 Ų7071.1 Ų71.136%0.35936%0.355SS..Hα-helixtrans-58.6-43.5176.7-65.1168.5000111.1I68 R69 R74 K75 Y472I68-I72 HydrophobicContact CG2-CD1 3.83Å; I68-I72 HydrophobicContact CG2-CG1 4.48Å; I68-I72 WeakPolarHBondContact O-CG1 3.26Å; I68-I72 PolarHBondContact O-N 2.94Å; R69-I72 PolarHBondContact O-N 3.47Å; I72-R74 PolarHBondContact O-N 3.05Å; I72-K75 WeakPolarHBondContact O-CB 3.31Å; I72-K75 PolarHBondContact O-N 2.96Å; I72-Y472 HydrophobicContact CD1-CD1 3.6Å; I72-Y472 HydrophobicContact CD1-CD2 4.41Å; I72-Y472 HydrophobicContact CD1-CE1 4.02Å; I72-Y472 HydrophobicContact CD1-CG 3.81Å; I72-Y472 HydrophobicContact CG1-CD1 4.47Å; I72-Y472 HydrophobicContact CG1-CD2 4.45Å; I72-Y472 HydrophobicContact CG1-CG 4.27Å
73S87.9Confident87.5Confident85 Ų8570.6 Ų70.659%0.59436%0.358SS*.Hα-helixtrans-62.2-19.2179.375.50000114.3R69 R70 E71 K75R69-S73 WeakPolarHBondContact O-CB 3.13Å; R69-S73 PolarHBondContact O-N 2.84Å; R70-S73 PolarHBondContact O-N 2.96Å; R70-S73 PolarHBondContact O-OG 2.9Å; E71-S73 VanDerWaalsContact C-N 3.32Å; E71-S73 PolarHBondContact O-N 3.31Å; S73-K75 VanDerWaalsContact C-N 3.32Å
74R89.9Confident88.2Confident49 Ų4967.5 Ų67.519%0.18535%0.351CS..THydrogen-bonded Turntrans-80.7-15.7177.6-69.2164.2-176.6174.6-4.3112.2R70 E71 I72 S76 K77 W78 K100 P103R70-R74 WeakPolarHBondContact O-CG 3.5Å; R70-R74 PolarHBondContact O-N 3.09Å; E71-R74 WeakPolarHBondContact O-CB 3.42Å; E71-R74 PolarHBondContact O-N 3.03Å; I72-R74 PolarHBondContact O-N 3.05Å; R74-S76 PolarHBondContact O-N 3.34Å; R74-K77 PolarHBondContact O-N 3Å; R74-K77 VanDerWaalsContact O-N 3.15Å; R74-W78 VanDerWaalsContact O-CD1 3.29Å; R74-W78 PolarHBondContact O-N 2.92Å; R74-K100 PolarHBondContact NH1-O 3.44Å; R74-P103 HydrophobicContact CB-CG 4.16Å
75K89.7Confident88.8Confident54 Ų5465.3 Ų65.324%0.23534%0.34CS..Hα-helixtrans-49.4-52.1-175.8-174.7-170.1178.4-174.30112.4I72 S73 K77 W78 V79 N105 I106 H471I72-K75 WeakPolarHBondContact O-CB 3.31Å; I72-K75 PolarHBondContact O-N 2.96Å; S73-K75 VanDerWaalsContact C-N 3.32Å; K75-K77 VanDerWaalsContact C-N 3.3Å; K75-K77 PolarHBondContact O-N 3.46Å; K75-W78 PolarHBondContact O-N 2.79Å; K75-V79 HydrophobicContact CG-CG2 4.2Å; K75-V79 WeakPolarHBondContact O-CG2 3.22Å; K75-V79 PolarHBondContact O-N 3.48Å; K75-N105 WeakPolarHBondContact CE-ND2 3.24Å; K75-I106 HydrophobicContact CG-CD1 3.98Å; K75-I106 HydrophobicContact CG-CG1 4.14Å; K75-H471 PolarHBondContact NZ-ND1 3.38Å
76S90.8Very high89.3Confident73 Ų7370 Ų7051%0.5136%0.356SS..Hα-helixtrans-53.5-46-177.9146.40000111.9R74 W78 V79 D80R74-S76 PolarHBondContact O-N 3.34Å; S76-W78 VanDerWaalsContact C-N 3.26Å; S76-W78 PolarHBondContact O-N 3.08Å; S76-V79 PolarHBondContact O-N 2.82Å; S76-V79 VanDerWaalsContact O-N 3.14Å; S76-D80 PolarHBondContact O-N 3.21Å
77K93.2Very high89.6Confident103 Ų10371.1 Ų71.145%0.44836%0.361SS..Hα-helixtrans-62.7-33.1179.6-63.7-179.6-178.5174.90113.1R74 K75 M81R74-K77 PolarHBondContact O-N 3Å; R74-K77 VanDerWaalsContact O-N 3.15Å; K75-K77 VanDerWaalsContact C-N 3.3Å; K75-K77 PolarHBondContact O-N 3.46Å; K77-M81 VanDerWaalsContact O-CG 3.3Å; K77-M81 WeakPolarHBondContact O-CG 3.48Å; K77-M81 PolarHBondContact O-N 2.94Å
78W93.8Very high90.1Very high0 Ų070 Ų700%036%0.355CS..Hα-helixtrans-75.9-38.8176.8-73.3100000111.8R74 K75 S76 D80 M81 L82 L94 Q97 A98 M102 P103 I106 M110R74-W78 VanDerWaalsContact O-CD1 3.29Å; R74-W78 PolarHBondContact O-N 2.92Å; K75-W78 PolarHBondContact O-N 2.79Å; S76-W78 VanDerWaalsContact C-N 3.26Å; S76-W78 PolarHBondContact O-N 3.08Å; W78-D80 VanDerWaalsContact C-N 3.34Å; W78-M81 HydrophobicContact CB-CE 4.45Å; W78-M81 HydrophobicContact CD2-CE 3.63Å; W78-M81 HydrophobicContact CE3-CE 3.4Å; W78-M81 HydrophobicContact CG-CE 4.1Å; W78-M81 HydrophobicContact CH2-CE 4.49Å; W78-M81 HydrophobicContact CZ3-CE 3.85Å; W78-M81 PolarHBondContact O-N 2.56Å; W78-L82 WeakPolarHBondContact O-CG 3.49Å; W78-L82 PolarHBondContact O-N 2.94Å; W78-L94 HydrophobicContact CZ3-CD1 3.92Å; W78-Q97 HydrophobicContact CD2-CB 4.48Å; W78-Q97 HydrophobicContact CH2-CB 3.96Å; W78-Q97 VanDerWaalsContact CZ2-C 3.45Å; W78-Q97 HydrophobicContact CZ2-CB 3.52Å; W78-Q97 WeakPolarHBondContact CZ2-O 3.39Å; W78-A98 HydrophobicContact CH2-CB 4.36Å; W78-M102 HydrophobicContact CD2-CG 4.12Å; W78-M102 HydrophobicContact CE3-CE 4.45Å; W78-M102 HydrophobicContact CE3-CG 4.22Å; W78-M102 HydrophobicContact CH2-CB 4.26Å; W78-M102 HydrophobicContact CH2-CE 3.67Å; W78-M102 HydrophobicContact CH2-CG 4.1Å; W78-M102 HydrophobicContact CZ2-CB 3.9Å; W78-M102 HydrophobicContact CZ2-CE 4.41Å; W78-M102 HydrophobicContact CZ2-CG 3.93Å; W78-M102 HydrophobicContact CZ3-CE 3.7Å; W78-M102 HydrophobicContact CZ3-CG 4.24Å; W78-M102 HydrophobicContact CZ3-SD 4.41Å; W78-P103 VanDerWaalsContact NE1-CD 3.3Å; W78-I106 HydrophobicContact CB-CB 4.39Å; W78-I106 HydrophobicContact CB-CG1 4.24Å; W78-I106 HydrophobicContact CB-CG2 3.71Å; W78-I106 HydrophobicContact CG-CG2 4.29Å; W78-M110 HydrophobicContact CE3-CE 3.43Å; W78-M110 VanDerWaalsContact CE3-CE 3.43Å; W78-M110 HydrophobicContact CE3-CG 4.21Å; W78-M110 HydrophobicContact CE3-SD 4.49Å; W78-M110 HydrophobicContact CZ3-CE 3.67Å; W78-M110 HydrophobicContact CZ3-CG 3.9Å; W78-M110 HydrophobicContact CZ3-SD 4.24Å
79V93.4Very high90.5Very high69 Ų6972 Ų7242%0.41836%0.362SS..Hα-helixtrans-60.5-44.6172.3174.80000110.6K75 S76 M81 L82 G83 I106K75-V79 HydrophobicContact CG-CG2 4.2Å; K75-V79 WeakPolarHBondContact O-CG2 3.22Å; K75-V79 PolarHBondContact O-N 3.48Å; S76-V79 PolarHBondContact O-N 2.82Å; S76-V79 VanDerWaalsContact O-N 3.14Å; V79-M81 PolarHBondContact O-N 3.44Å; V79-L82 PolarHBondContact O-N 3.02Å; V79-L82 VanDerWaalsContact O-N 3.15Å; V79-G83 PolarHBondContact O-N 3.3Å; V79-I106 HydrophobicContact CG2-CD1 3.89Å
80D93.7Very high90.5Very high84 Ų8469 Ų6945%0.44937%0.367SS..Hα-helixtrans-60-35.9175.7-57.8-21000112.3S76 W78S76-D80 PolarHBondContact O-N 3.21Å; W78-D80 VanDerWaalsContact C-N 3.34Å
81M94.5Very high90.8Very high0 Ų064 Ų640%035%0.352CS..Hα-helixtrans-73.6-33.9177.7-73.2-175.1-53.600112.6K77 W78 V79 D84 W85 Y88 K93 L94 Q97K77-M81 VanDerWaalsContact O-CG 3.3Å; K77-M81 WeakPolarHBondContact O-CG 3.48Å; K77-M81 PolarHBondContact O-N 2.94Å; W78-M81 HydrophobicContact CB-CE 4.45Å; W78-M81 HydrophobicContact CD2-CE 3.63Å; W78-M81 HydrophobicContact CE3-CE 3.4Å; W78-M81 HydrophobicContact CG-CE 4.1Å; W78-M81 HydrophobicContact CH2-CE 4.49Å; W78-M81 HydrophobicContact CZ3-CE 3.85Å; W78-M81 PolarHBondContact O-N 2.56Å; V79-M81 PolarHBondContact O-N 3.44Å; M81-D84 CarbonylContact O-C 3.53Å; M81-W85 WeakPolarHBondContact O-CA 3.37Å; M81-W85 PolarHBondContact O-N 3.02Å; M81-Y88 HydrophobicContact CB-CD2 4.07Å; M81-Y88 HydrophobicContact CB-CG 4.16Å; M81-Y88 HydrophobicContact CG-CD1 4.03Å; M81-Y88 HydrophobicContact CG-CD2 3.95Å; M81-Y88 HydrophobicContact CG-CE1 4.37Å; M81-Y88 HydrophobicContact CG-CE2 4.26Å; M81-Y88 HydrophobicContact CG-CG 3.8Å; M81-K93 HydrophobicContact SD-CD 4.28Å; M81-K93 HydrophobicContact SD-CG 4.17Å; M81-L94 HydrophobicContact CE-CD1 4.45Å; M81-L94 HydrophobicContact SD-CD1 4.48Å; M81-Q97 HydrophobicContact CE-CB 3.85Å; M81-Q97 HydrophobicContact CE-CG 3.65Å; M81-Q97 HydrophobicContact SD-CG 4.09Å
82L93.1Very high91.2Very high43 Ų4372.3 Ų72.323%0.22538%0.381CS..Hα-helixtrans-68.9-38.7173.9-74169.3000111.6W78 V79 D84 I106 P109 M110 V113W78-L82 WeakPolarHBondContact O-CG 3.49Å; W78-L82 PolarHBondContact O-N 2.94Å; V79-L82 PolarHBondContact O-N 3.02Å; V79-L82 VanDerWaalsContact O-N 3.15Å; L82-D84 VanDerWaalsContact C-N 3.27Å; L82-D84 PolarHBondContact O-N 3.43Å; L82-I106 HydrophobicContact CD1-CG2 3.9Å; L82-P109 HydrophobicContact CD1-CB 3.96Å; L82-M110 HydrophobicContact CD2-CB 4.41Å; L82-M110 HydrophobicContact CD2-CE 3.61Å; L82-M110 HydrophobicContact CD2-SD 4.03Å; L82-M110 HydrophobicContact CG-CE 3.75Å; L82-V113 HydrophobicContact CD2-CB 4.38Å; L82-V113 HydrophobicContact CD2-CG2 4.13Å
83G92.9Very high91.7Very high73 Ų7372.5 Ų72.575%0.75338%0.38SS*.Hα-helixtrans-65.6-25.4179.700000114.7V79V79-G83 PolarHBondContact O-N 3.3Å
84D92.7Very high92Very high68 Ų6868.7 Ų68.736%0.36435%0.353SS..THydrogen-bonded Turntrans-129.553.8177-169.3-2.6000110.1M81 L82 E86 K87 Y88M81-D84 CarbonylContact O-C 3.53Å; L82-D84 VanDerWaalsContact C-N 3.27Å; L82-D84 PolarHBondContact O-N 3.43Å; D84-E86 VanDerWaalsContact C-N 3.27Å; D84-E86 PolarHBondContact O-N 3.15Å; D84-K87 HydrophobicContact CB-CB 4.49Å; D84-K87 VanDerWaalsContact CG-CB 3.49Å; D84-K87 WeakPolarHBondContact O-CB 3.18Å; D84-K87 PolarHBondContact O-N 3.06Å; D84-K87 WeakPolarHBondContact OD1-CB 3.42Å; D84-K87 WeakPolarHBondContact OD2-CD 3.48Å; D84-K87 IonicContact OD2-NZ 3.99Å; D84-Y88 HydrophobicContact CB-CD2 4.15Å; D84-Y88 HydrophobicContact CB-CE2 4.05Å; D84-Y88 WeakPolarHBondContact O-CD2 3.3Å; D84-Y88 PolarHBondContact O-N 3.24Å
85W92.5Very high92.2Very high42 Ų4268.7 Ų68.716%0.15936%0.356CS..Hα-helixtrans-56.3-40.6-172.8177.3-121.4000113.1M81 K87 Y88 K89 L94 M110 V113 L114M81-W85 WeakPolarHBondContact O-CA 3.37Å; M81-W85 PolarHBondContact O-N 3.02Å; W85-K87 VanDerWaalsContact C-N 3.25Å; W85-K87 PolarHBondContact O-N 3.24Å; W85-Y88 PolarHBondContact O-N 2.96Å; W85-K89 HydrophobicContact CD2-CB 3.97Å; W85-K89 HydrophobicContact CE3-CB 4.41Å; W85-K89 HydrophobicContact CH2-CB 4.06Å; W85-K89 HydrophobicContact CZ2-CB 3.59Å; W85-K89 HydrophobicContact CZ3-CB 4.45Å; W85-K89 WeakPolarHBondContact O-CB 3.3Å; W85-K89 PolarHBondContact O-N 3.17Å; W85-L94 HydrophobicContact CH2-CD2 3.65Å; W85-L94 HydrophobicContact CZ3-CD1 4.14Å; W85-L94 HydrophobicContact CZ3-CD2 3.82Å; W85-M110 HydrophobicContact CH2-SD 4.24Å; W85-M110 HydrophobicContact CZ3-CE 4.24Å; W85-M110 HydrophobicContact CZ3-SD 3.83Å; W85-V113 HydrophobicContact CB-CG1 4.42Å; W85-V113 VanDerWaalsContact CD1-CG1 3.45Å; W85-V113 HydrophobicContact CD2-CG1 3.27Å; W85-V113 HydrophobicContact CE3-CG1 3.91Å; W85-V113 HydrophobicContact CG-CG1 3.49Å; W85-V113 VanDerWaalsContact CG-CG1 3.49Å; W85-V113 HydrophobicContact CH2-CG1 4.26Å; W85-V113 HydrophobicContact CZ2-CG1 3.68Å; W85-V113 HydrophobicContact CZ3-CG1 4.36Å; W85-L114 HydrophobicContact CH2-CD2 3.61Å; W85-L114 HydrophobicContact CH2-CG 4.24Å; W85-L114 HydrophobicContact CZ2-CD2 4.12Å
86E91.4Very high92.4Very high130 Ų13068.7 Ų68.761%0.60736%0.358SS*.Hα-helixtrans-58.7-36.2-179.1-74.3-61.6108.800112.9D84 K89D84-E86 VanDerWaalsContact C-N 3.27Å; D84-E86 PolarHBondContact O-N 3.15Å; E86-K89 IonicContact OE1-NZ 2.62Å; E86-K89 PolarHBondContact OE1-NZ 3.01Å; E86-K89 WeakPolarHBondContact OE2-CE 3.13Å; E86-K89 IonicContact OE2-NZ 3.58Å; E86-K89 PolarHBondContact OE2-NZ 3.46Å
87K92.6Very high92.5Very high133 Ų13365.7 Ų65.758%0.57834%0.336SS*.Hα-helixtrans-72.9-37.3173.8177.8-176.7179.2176.80112.7D84 W85D84-K87 HydrophobicContact CB-CB 4.49Å; D84-K87 VanDerWaalsContact CG-CB 3.49Å; D84-K87 WeakPolarHBondContact O-CB 3.18Å; D84-K87 PolarHBondContact O-N 3.06Å; D84-K87 WeakPolarHBondContact OD1-CB 3.42Å; D84-K87 WeakPolarHBondContact OD2-CD 3.48Å; D84-K87 IonicContact OD2-NZ 3.99Å; W85-K87 VanDerWaalsContact C-N 3.25Å; W85-K87 PolarHBondContact O-N 3.24Å
88Y92.1Very high92.5Very high35 Ų3560.8 Ų60.814%0.13732%0.315CS..Hα-helixtrans-94.8-19.3-169.5-70-66.9000115.2M81 D84 W85 S90 S91 K93M81-Y88 HydrophobicContact CB-CD2 4.07Å; M81-Y88 HydrophobicContact CB-CG 4.16Å; M81-Y88 HydrophobicContact CG-CD1 4.03Å; M81-Y88 HydrophobicContact CG-CD2 3.95Å; M81-Y88 HydrophobicContact CG-CE1 4.37Å; M81-Y88 HydrophobicContact CG-CE2 4.26Å; M81-Y88 HydrophobicContact CG-CG 3.8Å; D84-Y88 HydrophobicContact CB-CD2 4.15Å; D84-Y88 HydrophobicContact CB-CE2 4.05Å; D84-Y88 WeakPolarHBondContact O-CD2 3.3Å; D84-Y88 PolarHBondContact O-N 3.24Å; W85-Y88 PolarHBondContact O-N 2.96Å; Y88-S90 PolarHBondContact O-N 3.04Å; Y88-S90 VanDerWaalsContact O-N 3.08Å; Y88-S91 VanDerWaalsContact O-CB 3.25Å; Y88-S91 WeakPolarHBondContact O-CB 3.35Å; Y88-S91 PolarHBondContact O-N 3.43Å; Y88-S91 PolarHBondContact O-OG 2.95Å; Y88-K93 HydrophobicContact CD1-CB 4.5Å; Y88-K93 HydrophobicContact CD1-CD 3.95Å; Y88-K93 HydrophobicContact CE1-CD 3.46Å; Y88-K93 VanDerWaalsContact CE1-CD 3.46Å; Y88-K93 PolarHBondContact OH-NZ 3.06Å
89K88.9Confident92.5Very high69 Ų6961.5 Ų61.530%0.332%0.318SS..THydrogen-bonded Turntrans-55.6-29.3-174.167.3-176.8174.4-172.40115.3W85 E86W85-K89 HydrophobicContact CD2-CB 3.97Å; W85-K89 HydrophobicContact CE3-CB 4.41Å; W85-K89 HydrophobicContact CH2-CB 4.06Å; W85-K89 HydrophobicContact CZ2-CB 3.59Å; W85-K89 HydrophobicContact CZ3-CB 4.45Å; W85-K89 WeakPolarHBondContact O-CB 3.3Å; W85-K89 PolarHBondContact O-N 3.17Å; E86-K89 IonicContact OE1-NZ 2.62Å; E86-K89 PolarHBondContact OE1-NZ 3.01Å; E86-K89 WeakPolarHBondContact OE2-CE 3.13Å; E86-K89 IonicContact OE2-NZ 3.58Å; E86-K89 PolarHBondContact OE2-NZ 3.46Å
90S86.5Confident92.5Very high104 Ų10462 Ų6273%0.72731%0.314SS*.THydrogen-bonded Turntrans-114.514.7176.4-56.20000112.7Y88Y88-S90 PolarHBondContact O-N 3.04Å; Y88-S90 VanDerWaalsContact O-N 3.08Å
91S91.6Very high92.3Very high24 Ų2458.1 Ų58.117%0.16830%0.295CS..  trans-83.1143.6-175.676.10000112Y88 K93 L94Y88-S91 VanDerWaalsContact O-CB 3.25Å; Y88-S91 WeakPolarHBondContact O-CB 3.35Å; Y88-S91 PolarHBondContact O-N 3.43Å; Y88-S91 PolarHBondContact O-OG 2.95Å; S91-K93 PolarHBondContact O-N 2.92Å; S91-L94 PolarHBondContact O-N 3.25Å; S91-L94 PolarHBondContact OG-N 3.48Å
92R92.2Very high92.2Very high210 Ų21058.2 Ų58.279%0.79230%0.295SS*.Hα-helixtrans-58.5-26.2167.3-73.6-176.4-79.6-168.7-4.5112.4I95 D96R92-I95 PolarHBondContact O-N 3.43Å; R92-D96 WeakPolarHBondContact O-CB 3.34Å; R92-D96 PolarHBondContact O-N 3.21Å
93K93.4Very high92.1Very high75 Ų7556.2 Ų56.233%0.32629%0.285SS..Hα-helixtrans-62.6-43.2177.7-170.7-173.3178-174.40111.1M81 Y88 S91 D96 Q97M81-K93 HydrophobicContact SD-CD 4.28Å; M81-K93 HydrophobicContact SD-CG 4.17Å; Y88-K93 HydrophobicContact CD1-CB 4.5Å; Y88-K93 HydrophobicContact CD1-CD 3.95Å; Y88-K93 HydrophobicContact CE1-CD 3.46Å; Y88-K93 VanDerWaalsContact CE1-CD 3.46Å; Y88-K93 PolarHBondContact OH-NZ 3.06Å; S91-K93 PolarHBondContact O-N 2.92Å; K93-D96 WeakPolarHBondContact O-CB 3.36Å; K93-D96 PolarHBondContact O-N 3.32Å; K93-Q97 WeakPolarHBondContact O-CG 3.44Å; K93-Q97 PolarHBondContact O-N 3.05Å
94L93.6Very high91.8Very high4 Ų453.8 Ų53.82%0.02125%0.254CS..Hα-helixtrans-59-52.2177.1176.663.6000110.9W78 M81 W85 S91 D96 Q97 A98 M110 L114 V291W78-L94 HydrophobicContact CZ3-CD1 3.92Å; M81-L94 HydrophobicContact CE-CD1 4.45Å; M81-L94 HydrophobicContact SD-CD1 4.48Å; W85-L94 HydrophobicContact CH2-CD2 3.65Å; W85-L94 HydrophobicContact CZ3-CD1 4.14Å; W85-L94 HydrophobicContact CZ3-CD2 3.82Å; S91-L94 PolarHBondContact O-N 3.25Å; S91-L94 PolarHBondContact OG-N 3.48Å; L94-D96 VanDerWaalsContact C-N 3.31Å; L94-D96 PolarHBondContact O-N 2.8Å; L94-Q97 PolarHBondContact O-N 3.07Å; L94-Q97 VanDerWaalsContact O-N 3.13Å; L94-A98 PolarHBondContact O-N 3.04Å; L94-M110 HydrophobicContact CD1-CE 4.31Å; L94-M110 HydrophobicContact CD1-SD 4.38Å; L94-L114 HydrophobicContact CD2-CD2 4.45Å; L94-V291 HydrophobicContact CD2-CG1 4.22Å; L94-V291 HydrophobicContact CG-CG1 3.97Å; L94-V291 HydrophobicContact CG-CG2 4.36Å
95I93.1Very high91.4Very high50 Ų5051.3 Ų51.326%0.25624%0.241SC..Hα-helixtrans-54.6-49.3176.1-58.3174.7000110R92 Q97 A98 Y99 V291R92-I95 PolarHBondContact O-N 3.43Å; I95-Q97 VanDerWaalsContact C-N 3.3Å; I95-Q97 PolarHBondContact O-N 2.97Å; I95-A98 WeakPolarHBondContact O-CB 3.12Å; I95-A98 PolarHBondContact O-N 3.31Å; I95-A98 VanDerWaalsContact O-N 3.16Å; I95-Y99 HydrophobicContact CG2-CD2 3.91Å; I95-Y99 HydrophobicContact CG2-CE2 3.63Å; I95-Y99 VanDerWaalsContact O-CD2 3.25Å; I95-Y99 WeakPolarHBondContact O-CD2 3.29Å; I95-Y99 PolarHBondContact O-N 3.43Å; I95-Y99 VanDerWaalsContact O-N 3.17Å; I95-V291 HydrophobicContact CB-CG1 4.48Å; I95-V291 HydrophobicContact CG1-CG1 3.93Å
96D93.9Very high91.4Very high53 Ų5349.8 Ų49.828%0.28324%0.236SC..Hα-helixtrans-59.7-35.6179.8-78.3-4.1000114.1R92 K93 L94 K100 R344R92-D96 WeakPolarHBondContact O-CB 3.34Å; R92-D96 PolarHBondContact O-N 3.21Å; K93-D96 WeakPolarHBondContact O-CB 3.36Å; K93-D96 PolarHBondContact O-N 3.32Å; L94-D96 VanDerWaalsContact C-N 3.31Å; L94-D96 PolarHBondContact O-N 2.8Å; D96-K100 WeakPolarHBondContact O-CD 3.39Å; D96-K100 WeakPolarHBondContact O-CG 3.39Å; D96-K100 PolarHBondContact O-N 2.99Å; D96-R344 IonicContact OD1-CZ 2.6Å; D96-R344 VanDerWaalsContact OD1-CZ 3.32Å; D96-R344 IonicContact OD1-NH1 2.79Å; D96-R344 IonicContact OD1-NH2 3.34Å; D96-R344 PolarHBondContact OD1-NH2 3.07Å; D96-R344 IonicContact OD2-NH2 3.86Å
97Q94.1Very high91.5Very high11 Ų1144.1 Ų44.15%0.05121%0.209CC..Hα-helixtrans-75.1-38.2176-63.7-49.2-48.400111.7W78 M81 K93 L94 I95 Y99 K100 G101W78-Q97 HydrophobicContact CD2-CB 4.48Å; W78-Q97 HydrophobicContact CH2-CB 3.96Å; W78-Q97 VanDerWaalsContact CZ2-C 3.45Å; W78-Q97 HydrophobicContact CZ2-CB 3.52Å; W78-Q97 WeakPolarHBondContact CZ2-O 3.39Å; M81-Q97 HydrophobicContact CE-CB 3.85Å; M81-Q97 HydrophobicContact CE-CG 3.65Å; M81-Q97 HydrophobicContact SD-CG 4.09Å; K93-Q97 WeakPolarHBondContact O-CG 3.44Å; K93-Q97 PolarHBondContact O-N 3.05Å; L94-Q97 PolarHBondContact O-N 3.07Å; L94-Q97 VanDerWaalsContact O-N 3.13Å; I95-Q97 VanDerWaalsContact C-N 3.3Å; I95-Q97 PolarHBondContact O-N 2.97Å; Q97-Y99 VanDerWaalsContact C-N 3.33Å; Q97-Y99 PolarHBondContact O-N 3.15Å; Q97-K100 WeakPolarHBondContact O-CA 3.3Å; Q97-K100 WeakPolarHBondContact O-CB 2.95Å; Q97-K100 PolarHBondContact O-N 2.91Å; Q97-G101 PolarHBondContact O-N 3.46Å
98A93.5Very high91.6Very high0 Ų037.9 Ų37.90%018%0.182CC..Hα-helixtrans-57.1-45.6176.300000111.7W78 L94 I95 K100 G101 V288 V291W78-A98 HydrophobicContact CH2-CB 4.36Å; L94-A98 PolarHBondContact O-N 3.04Å; I95-A98 WeakPolarHBondContact O-CB 3.12Å; I95-A98 PolarHBondContact O-N 3.31Å; I95-A98 VanDerWaalsContact O-N 3.16Å; A98-K100 PolarHBondContact O-N 2.83Å; A98-G101 PolarHBondContact O-N 3.36Å; A98-G101 VanDerWaalsContact O-N 3.11Å; A98-V288 HydrophobicContact CB-CG2 4.48Å; A98-V291 HydrophobicContact CB-CB 4.19Å; A98-V291 HydrophobicContact CB-CG1 4.28Å; A98-V291 HydrophobicContact CB-CG2 3.98Å
99Y93.7Very high91.7Very high14 Ų1438.4 Ų38.46%0.05519%0.19CC..THydrogen-bonded Turntrans-68.5-17.2174.5-77.2-79.9000115I95 Q97 R284 V288 E292 L340 L343 R344 M347I95-Y99 HydrophobicContact CG2-CD2 3.91Å; I95-Y99 HydrophobicContact CG2-CE2 3.63Å; I95-Y99 VanDerWaalsContact O-CD2 3.25Å; I95-Y99 WeakPolarHBondContact O-CD2 3.29Å; I95-Y99 PolarHBondContact O-N 3.43Å; I95-Y99 VanDerWaalsContact O-N 3.17Å; Q97-Y99 VanDerWaalsContact C-N 3.33Å; Q97-Y99 PolarHBondContact O-N 3.15Å; Y99-R284 VanDerWaalsContact C-NH2 3.26Å; Y99-R284 PolarHBondContact O-NH2 3.33Å; Y99-V288 HydrophobicContact CD1-CG2 4.11Å; Y99-V288 HydrophobicContact CE1-CG1 3.9Å; Y99-V288 HydrophobicContact CE1-CG2 4.2Å; Y99-V288 HydrophobicContact CE2-CG1 4.23Å; Y99-V288 HydrophobicContact CG-CG2 4.39Å; Y99-E292 HydrophobicContact CE2-CG 4.37Å; Y99-E292 WeakPolarHBondContact CE2-OE1 3.47Å; Y99-E292 PolarHBondContact OH-OE1 2.72Å; Y99-L340 HydrophobicContact CD1-CD1 4.33Å; Y99-L343 HydrophobicContact CE1-CB 4.36Å; Y99-L343 HydrophobicContact CE1-CD2 4.07Å; Y99-L343 HydrophobicContact CE1-CG 4.01Å; Y99-R344 HydrophobicContact CD1-CB 3.61Å; Y99-R344 HydrophobicContact CD1-CG 4Å; Y99-R344 HydrophobicContact CD2-CG 4.27Å; Y99-R344 HydrophobicContact CE1-CB 3.58Å; Y99-R344 HydrophobicContact CE1-CG 4.01Å; Y99-R344 HydrophobicContact CE2-CG 4.31Å; Y99-R344 HydrophobicContact CG-CB 4.21Å; Y99-R344 HydrophobicContact CG-CG 4.13Å; Y99-M347 WeakPolarHBondContact OH-CG 3.27Å
100K92.2Very high91.9Very high79 Ų7935.1 Ų35.134%0.34318%0.175SC..THydrogen-bonded Turntrans-81.1-37.3171-71.6167.5-170.9168.90110R74 D96 Q97 A98 R284R74-K100 PolarHBondContact NH1-O 3.44Å; D96-K100 WeakPolarHBondContact O-CD 3.39Å; D96-K100 WeakPolarHBondContact O-CG 3.39Å; D96-K100 PolarHBondContact O-N 2.99Å; Q97-K100 WeakPolarHBondContact O-CA 3.3Å; Q97-K100 WeakPolarHBondContact O-CB 2.95Å; Q97-K100 PolarHBondContact O-N 2.91Å; A98-K100 PolarHBondContact O-N 2.83Å; K100-R284 PolarHBondContact O-NH1 3.47Å; K100-R284 PolarHBondContact O-NH2 2.96Å; K100-R284 VanDerWaalsContact O-NH2 3.17Å
101G90.6Very high92.3Very high4 Ų430.2 Ų30.24%0.04114%0.141CC..  trans122.8136.2177.900000111.1Q97 A98Q97-G101 PolarHBondContact O-N 3.46Å; A98-G101 PolarHBondContact O-N 3.36Å; A98-G101 VanDerWaalsContact O-N 3.11Å
102M92.5Very high92.5Very high1 Ų130 Ų301%0.00514%0.139CC..  trans-84.8131176.5-160.7179.5-56.400110.2W78 I106 R107 M110 D287W78-M102 HydrophobicContact CD2-CG 4.12Å; W78-M102 HydrophobicContact CE3-CE 4.45Å; W78-M102 HydrophobicContact CE3-CG 4.22Å; W78-M102 HydrophobicContact CH2-CB 4.26Å; W78-M102 HydrophobicContact CH2-CE 3.67Å; W78-M102 HydrophobicContact CH2-CG 4.1Å; W78-M102 HydrophobicContact CZ2-CB 3.9Å; W78-M102 HydrophobicContact CZ2-CE 4.41Å; W78-M102 HydrophobicContact CZ2-CG 3.93Å; W78-M102 HydrophobicContact CZ3-CE 3.7Å; W78-M102 HydrophobicContact CZ3-CG 4.24Å; W78-M102 HydrophobicContact CZ3-SD 4.41Å; M102-I106 HydrophobicContact CG-CB 4.33Å; M102-I106 HydrophobicContact CG-CG2 4.42Å; M102-R107 HydrophobicContact CB-CG 4.3Å; M102-R107 HydrophobicContact CG-CG 4.18Å; M102-R107 PolarHBondContact O-NH2 3.5Å; M102-R107 VanDerWaalsContact SD-CA 3.54Å; M102-R107 HydrophobicContact SD-CB 4.29Å; M102-R107 HydrophobicContact SD-CG 3.82Å; M102-M110 HydrophobicContact CE-CB 3.95Å; M102-M110 HydrophobicContact CE-CG 3.37Å; M102-M110 HydrophobicContact SD-CB 3.54Å; M102-M110 VanDerWaalsContact SD-CB 3.54Å; M102-M110 HydrophobicContact SD-CG 3.68Å; M102-D287 HydrophobicContact CB-CB 4.45Å; M102-D287 WeakPolarHBondContact CB-OD2 3.49Å; M102-D287 HydrophobicContact CE-CB 4.28Å
103P90.7Very high92.5Very high2 Ų221.8 Ų21.81%0.01311%0.113CC..  trans-60.7144.6172.5-2232.9000111E71 R74 W78 N105 I106 R107E71-P103 WeakPolarHBondContact O-CG 3.39Å; R74-P103 HydrophobicContact CB-CG 4.16Å; W78-P103 VanDerWaalsContact NE1-CD 3.3Å; P103-N105 VanDerWaalsContact C-N 3.27Å; P103-N105 WeakPolarHBondContact CB-OD1 3.47Å; P103-N105 PolarHBondContact O-N 2.91Å; P103-I106 HydrophobicContact CB-CG1 4.2Å; P103-I106 HydrophobicContact CG-CG1 4.37Å; P103-I106 PolarHBondContact O-N 3.41Å; P103-R107 PolarHBondContact O-N 2.98Å
104M86.1Confident92.5Very high22 Ų2219.1 Ų19.111%0.10810%0.102CC..G310 helixtrans-49.9-46.2-176.4-164.468.374.700113.6L49 I106 R107 Y200L49-M104 HydrophobicContact CD2-CE 3.24Å; M104-I106 PolarHBondContact O-N 3.17Å; M104-R107 PolarHBondContact O-N 3.4Å; M104-R107 PolarHBondContact SD-NH1 3.04Å; M104-Y200 HydrophobicContact CG-CE1 3.97Å; M104-Y200 HydrophobicContact SD-CE1 3.33Å; M104-Y200 WeakPolarHBondContact SD-CE1 3.25Å; M104-Y200 VanDerWaalsContact SD-CZ 3.59Å; M104-Y200 PolarHBondContact SD-OH 3.38Å
105N84.9Confident92.5Very high15 Ų1519 Ų198%0.0810%0.101CC..G310 helixtrans-75.6-10-176.160.7-24.7000114.4K75 P103 R470K75-N105 WeakPolarHBondContact CE-ND2 3.24Å; P103-N105 VanDerWaalsContact C-N 3.27Å; P103-N105 WeakPolarHBondContact CB-OD1 3.47Å; P103-N105 PolarHBondContact O-N 2.91Å; N105-R470 VanDerWaalsContact CB-O 3.29Å; N105-R470 WeakPolarHBondContact CB-O 3.41Å
106I92Very high92.4Very high10 Ų1019 Ų195%0.05110%0.101CC..G310 helixtrans-99.4-15177.3-55.7-60.8000111.9K75 W78 V79 L82 M102 P103 M104 G108 P109 M110K75-I106 HydrophobicContact CG-CD1 3.98Å; K75-I106 HydrophobicContact CG-CG1 4.14Å; W78-I106 HydrophobicContact CB-CB 4.39Å; W78-I106 HydrophobicContact CB-CG1 4.24Å; W78-I106 HydrophobicContact CB-CG2 3.71Å; W78-I106 HydrophobicContact CG-CG2 4.29Å; V79-I106 HydrophobicContact CG2-CD1 3.89Å; L82-I106 HydrophobicContact CD1-CG2 3.9Å; M102-I106 HydrophobicContact CG-CB 4.33Å; M102-I106 HydrophobicContact CG-CG2 4.42Å; P103-I106 HydrophobicContact CB-CG1 4.2Å; P103-I106 HydrophobicContact CG-CG1 4.37Å; P103-I106 PolarHBondContact O-N 3.41Å; M104-I106 PolarHBondContact O-N 3.17Å; I106-G108 PolarHBondContact O-N 2.88Å; I106-P109 WeakPolarHBondContact O-CD 3.31Å; I106-M110 HydrophobicContact CG2-CB 4.15Å; I106-M110 VanDerWaalsContact O-CB 3.23Å; I106-M110 WeakPolarHBondContact O-CB 3.31Å; I106-M110 PolarHBondContact O-N 3.02Å
107R93.6Very high92.4Very high12 Ų1216.5 Ų16.55%0.0459%0.088CC..Hα-helixtrans-54.4-50.7-179.7-75.2-171175101.29.8113.2M102 P103 M104 M110 W111 Y200 D287M102-R107 HydrophobicContact CB-CG 4.3Å; M102-R107 HydrophobicContact CG-CG 4.18Å; M102-R107 PolarHBondContact O-NH2 3.5Å; M102-R107 VanDerWaalsContact SD-CA 3.54Å; M102-R107 HydrophobicContact SD-CB 4.29Å; M102-R107 HydrophobicContact SD-CG 3.82Å; P103-R107 PolarHBondContact O-N 2.98Å; M104-R107 PolarHBondContact O-N 3.4Å; M104-R107 PolarHBondContact SD-NH1 3.04Å; R107-M110 PolarHBondContact O-N 3.45Å; R107-W111 HydrophobicContact CB-CD2 4.36Å; R107-W111 HydrophobicContact CB-CZ2 4.36Å; R107-W111 HydrophobicContact CG-CZ2 4.26Å; R107-W111 WeakPolarHBondContact O-CB 3.35Å; R107-W111 VanDerWaalsContact O-CD1 3.31Å; R107-W111 PolarHBondContact O-N 2.94Å; R107-Y200 HydrophobicContact CB-CD1 3.71Å; R107-Y200 HydrophobicContact CB-CE1 4.23Å; R107-Y200 HydrophobicContact CB-CG 3.9Å; R107-D287 IonicContact CZ-OD2 3.33Å; R107-D287 IonicContact NE-OD1 3.61Å; R107-D287 PolarHBondContact NE-OD1 3.25Å; R107-D287 IonicContact NE-OD2 3.21Å; R107-D287 PolarHBondContact NE-OD2 3.25Å; R107-D287 IonicContact NH2-OD2 3.89Å; R107-D287 PolarHBondContact NH2-OD2 2.95Å
108G93.9Very high92.3Very high1 Ų122.4 Ų22.41%0.0112%0.116CC..Hα-helixtrans-52.8-64.5178.800000112.5I106 M110 W111 S112 Y200 L201I106-G108 PolarHBondContact O-N 2.88Å; G108-M110 VanDerWaalsContact C-N 3.3Å; G108-M110 PolarHBondContact O-N 3.42Å; G108-W111 PolarHBondContact O-N 3.47Å; G108-S112 PolarHBondContact O-N 3.35Å; G108-S112 PolarHBondContact O-OG 3.24Å; G108-Y200 VanDerWaalsContact CA-O 3.28Å; G108-Y200 WeakPolarHBondContact CA-O 3.19Å; G108-L201 WeakPolarHBondContact O-CD2 3.15Å
109P94Very high92.2Very high47 Ų4726.3 Ų26.331%0.30513%0.134SC..Hα-helixtrans-57.2-41.4-179.2-27.434.6000113.4L82 I106 V113 F469L82-P109 HydrophobicContact CD1-CB 3.96Å; I106-P109 WeakPolarHBondContact O-CD 3.31Å; P109-V113 VanDerWaalsContact O-CG2 3.31Å; P109-V113 WeakPolarHBondContact O-CG2 3.44Å; P109-V113 PolarHBondContact O-N 3.21Å; P109-V113 VanDerWaalsContact O-N 3.13Å; P109-F469 HydrophobicContact CG-CE1 4.11Å; P109-F469 HydrophobicContact CG-CZ 4Å
110M94.4Very high92.1Very high0 Ų026.8 Ų26.80%014%0.137CC..Hα-helixtrans-71.3-40.1-178.3-17654.777.800112.4W78 L82 W85 L94 M102 I106 R107 G108 V113 L114W78-M110 HydrophobicContact CE3-CE 3.43Å; W78-M110 VanDerWaalsContact CE3-CE 3.43Å; W78-M110 HydrophobicContact CE3-CG 4.21Å; W78-M110 HydrophobicContact CE3-SD 4.49Å; W78-M110 HydrophobicContact CZ3-CE 3.67Å; W78-M110 HydrophobicContact CZ3-CG 3.9Å; W78-M110 HydrophobicContact CZ3-SD 4.24Å; L82-M110 HydrophobicContact CD2-CB 4.41Å; L82-M110 HydrophobicContact CD2-CE 3.61Å; L82-M110 HydrophobicContact CD2-SD 4.03Å; L82-M110 HydrophobicContact CG-CE 3.75Å; W85-M110 HydrophobicContact CH2-SD 4.24Å; W85-M110 HydrophobicContact CZ3-CE 4.24Å; W85-M110 HydrophobicContact CZ3-SD 3.83Å; L94-M110 HydrophobicContact CD1-CE 4.31Å; L94-M110 HydrophobicContact CD1-SD 4.38Å; M102-M110 HydrophobicContact CE-CB 3.95Å; M102-M110 HydrophobicContact CE-CG 3.37Å; M102-M110 HydrophobicContact SD-CB 3.54Å; M102-M110 VanDerWaalsContact SD-CB 3.54Å; M102-M110 HydrophobicContact SD-CG 3.68Å; I106-M110 HydrophobicContact CG2-CB 4.15Å; I106-M110 VanDerWaalsContact O-CB 3.23Å; I106-M110 WeakPolarHBondContact O-CB 3.31Å; I106-M110 PolarHBondContact O-N 3.02Å; R107-M110 PolarHBondContact O-N 3.45Å; G108-M110 VanDerWaalsContact C-N 3.3Å; G108-M110 PolarHBondContact O-N 3.42Å; M110-V113 PolarHBondContact O-N 3.46Å; M110-L114 HydrophobicContact CG-CD1 3.86Å; M110-L114 HydrophobicContact CG-CG 4.34Å; M110-L114 WeakPolarHBondContact O-CB 3.29Å; M110-L114 WeakPolarHBondContact O-CG 3.3Å; M110-L114 PolarHBondContact O-N 3.24Å; M110-L114 HydrophobicContact SD-CD1 4.22Å; M110-L114 HydrophobicContact SD-CG 4.13Å
111W94.9Very high92.2Very high0 Ų026.9 Ų26.90%014%0.137CC..Hα-helixtrans-66.5-40.1175.7-67.63.2000111.3R107 G108 V113 L114 L115 L196 F197 Y200 L283 D287 L290R107-W111 HydrophobicContact CB-CD2 4.36Å; R107-W111 HydrophobicContact CB-CZ2 4.36Å; R107-W111 HydrophobicContact CG-CZ2 4.26Å; R107-W111 WeakPolarHBondContact O-CB 3.35Å; R107-W111 VanDerWaalsContact O-CD1 3.31Å; R107-W111 PolarHBondContact O-N 2.94Å; G108-W111 PolarHBondContact O-N 3.47Å; W111-V113 VanDerWaalsContact C-N 3.29Å; W111-V113 PolarHBondContact O-N 2.92Å; W111-L114 PolarHBondContact O-N 3.31Å; W111-L115 WeakPolarHBondContact O-CB 3.44Å; W111-L115 PolarHBondContact O-N 3.08Å; W111-L196 HydrophobicContact CH2-CD2 4.44Å; W111-L196 HydrophobicContact CH2-CG 4.22Å; W111-L196 HydrophobicContact CZ3-CG 4.47Å; W111-F197 AromaticContact CE3-CD1 3.75Å; W111-F197 HydrophobicContact CE3-CD1 3.75Å; W111-F197 HydrophobicContact CE3-CE1 4.12Å; W111-F197 AromaticContact CZ3-CD1 3.95Å; W111-F197 HydrophobicContact CZ3-CD1 3.95Å; W111-F197 HydrophobicContact CZ3-CE1 4.45Å; W111-Y200 HydrophobicContact CE3-CD2 4.24Å; W111-Y200 AromaticContact CH2-CD2 3.61Å; W111-Y200 HydrophobicContact CH2-CD2 3.61Å; W111-Y200 AromaticContact CH2-CE2 3.95Å; W111-Y200 HydrophobicContact CH2-CE2 3.95Å; W111-Y200 HydrophobicContact CH2-CG 4.48Å; W111-Y200 AromaticContact CZ3-CD2 3.44Å; W111-Y200 HydrophobicContact CZ3-CD2 3.44Å; W111-Y200 VanDerWaalsContact CZ3-CD2 3.44Å; W111-Y200 HydrophobicContact CZ3-CE2 4.22Å; W111-Y200 HydrophobicContact CZ3-CG 4.15Å; W111-L283 HydrophobicContact CH2-CD2 3.84Å; W111-L283 HydrophobicContact CZ2-CD2 4.29Å; W111-D287 PolarHBondContact NE1-OD1 3.09Å; W111-L290 HydrophobicContact CB-CD1 4.33Å; W111-L290 HydrophobicContact CD2-CD1 3.89Å; W111-L290 HydrophobicContact CG-CD1 3.68Å
112S94.3Very high92.3Very high20 Ų2032.9 Ų32.914%0.1417%0.168CC..Hα-helixtrans-55.2-46.2173.1-69.40000112G108 N116 T117 L201G108-S112 PolarHBondContact O-N 3.35Å; G108-S112 PolarHBondContact O-OG 3.24Å; S112-N116 WeakPolarHBondContact O-CA 3.43Å; S112-N116 PolarHBondContact O-N 3.43Å; S112-T117 VanDerWaalsContact CA-OG1 3.25Å; S112-T117 WeakPolarHBondContact CA-OG1 3.37Å; S112-T117 WeakPolarHBondContact CB-OG1 3.31Å; S112-T117 PolarHBondContact O-N 3.4Å; S112-T117 PolarHBondContact O-OG1 3.3Å; S112-T117 PolarHBondContact OG-OG1 3.36Å; S112-L201 WeakPolarHBondContact OG-CD2 3.4Å
113V93.4Very high92.4Very high38 Ų3839 Ų3923%0.2319%0.194CC..Hα-helixtrans-72.8-38.1-180170.80000112.2L82 W85 P109 M110 W111 L115 N116L82-V113 HydrophobicContact CD2-CB 4.38Å; L82-V113 HydrophobicContact CD2-CG2 4.13Å; W85-V113 HydrophobicContact CB-CG1 4.42Å; W85-V113 VanDerWaalsContact CD1-CG1 3.45Å; W85-V113 HydrophobicContact CD2-CG1 3.27Å; W85-V113 HydrophobicContact CE3-CG1 3.91Å; W85-V113 HydrophobicContact CG-CG1 3.49Å; W85-V113 VanDerWaalsContact CG-CG1 3.49Å; W85-V113 HydrophobicContact CH2-CG1 4.26Å; W85-V113 HydrophobicContact CZ2-CG1 3.68Å; W85-V113 HydrophobicContact CZ3-CG1 4.36Å; P109-V113 VanDerWaalsContact O-CG2 3.31Å; P109-V113 WeakPolarHBondContact O-CG2 3.44Å; P109-V113 PolarHBondContact O-N 3.21Å; P109-V113 VanDerWaalsContact O-N 3.13Å; M110-V113 PolarHBondContact O-N 3.46Å; W111-V113 VanDerWaalsContact C-N 3.29Å; W111-V113 PolarHBondContact O-N 2.92Å; V113-L115 VanDerWaalsContact C-N 3.3Å; V113-L115 PolarHBondContact O-N 3.1Å; V113-N116 PolarHBondContact O-N 2.97Å; V113-N116 PolarHBondContact O-OD1 3.24Å; V113-N116 VanDerWaalsContact O-OD1 3.1Å
114L93Very high92.5Very high18 Ų1840.1 Ų40.19%0.09420%0.2CC..Hα-helixtrans-65.2-33.7176.1-76.2167.3000112.6W85 L94 M110 W111 L290 V291W85-L114 HydrophobicContact CH2-CD2 3.61Å; W85-L114 HydrophobicContact CH2-CG 4.24Å; W85-L114 HydrophobicContact CZ2-CD2 4.12Å; L94-L114 HydrophobicContact CD2-CD2 4.45Å; M110-L114 HydrophobicContact CG-CD1 3.86Å; M110-L114 HydrophobicContact CG-CG 4.34Å; M110-L114 WeakPolarHBondContact O-CB 3.29Å; M110-L114 WeakPolarHBondContact O-CG 3.3Å; M110-L114 PolarHBondContact O-N 3.24Å; M110-L114 HydrophobicContact SD-CD1 4.22Å; M110-L114 HydrophobicContact SD-CG 4.13Å; W111-L114 PolarHBondContact O-N 3.31Å; L114-L290 HydrophobicContact CD1-CB 3.94Å; L114-V291 HydrophobicContact CD1-CG2 3.83Å; L114-V291 HydrophobicContact CD2-CG2 4.01Å
115L92.9Very high92.9Very high3 Ų344.1 Ų44.12%0.01623%0.228CC..THydrogen-bonded Turntrans-98.30.8-178.6-66.3169.4000113.2W111 V113 T117 F197 A209 Q212 L213 L290W111-L115 WeakPolarHBondContact O-CB 3.44Å; W111-L115 PolarHBondContact O-N 3.08Å; V113-L115 VanDerWaalsContact C-N 3.3Å; V113-L115 PolarHBondContact O-N 3.1Å; L115-T117 VanDerWaalsContact C-N 3.25Å; L115-T117 HydrophobicContact CB-CG2 4.02Å; L115-T117 PolarHBondContact O-N 3.19Å; L115-F197 HydrophobicContact CD1-CE1 3.64Å; L115-F197 HydrophobicContact CD1-CZ 3.67Å; L115-A209 HydrophobicContact CD1-CB 3.62Å; L115-Q212 HydrophobicContact CB-CB 4.24Å; L115-Q212 HydrophobicContact CD2-CB 4.44Å; L115-Q212 VanDerWaalsContact O-CB 3.31Å; L115-Q212 WeakPolarHBondContact O-CB 3.46Å; L115-Q212 WeakPolarHBondContact O-CG 3.36Å; L115-Q212 PolarHBondContact O-NE2 3.41Å; L115-L213 HydrophobicContact CD2-CB 4.45Å; L115-L213 HydrophobicContact CD2-CD1 4.24Å; L115-L290 HydrophobicContact CD1-CD2 4.09Å; L115-L290 HydrophobicContact CD2-CD2 3.88Å; L115-L290 HydrophobicContact CG-CD2 4.15Å
116N92.3Very high93.4Very high48 Ų4845.5 Ų45.526%0.25725%0.246SC..THydrogen-bonded Turntrans49.942.7-175.6-63-4.2000113S112 V113 E118 E119 M120S112-N116 WeakPolarHBondContact O-CA 3.43Å; S112-N116 PolarHBondContact O-N 3.43Å; V113-N116 PolarHBondContact O-N 2.97Å; V113-N116 PolarHBondContact O-OD1 3.24Å; V113-N116 VanDerWaalsContact O-OD1 3.1Å; N116-E118 VanDerWaalsContact C-N 3.32Å; N116-E118 PolarHBondContact O-N 3.19Å; N116-E119 HydrophobicContact CB-CB 4.21Å; N116-E119 PolarHBondContact ND2-OE2 3.42Å; N116-E119 PolarHBondContact O-N 3.49Å; N116-M120 PolarHBondContact O-N 3.33Å
117T92.7Very high93.5Very high1 Ų149.5 Ų49.51%0.00626%0.26CS..Hα-helixtrans-62.8-40.2-176.756.60000112.1S112 L115 E119 M120 K121 W208 A209S112-T117 VanDerWaalsContact CA-OG1 3.25Å; S112-T117 WeakPolarHBondContact CA-OG1 3.37Å; S112-T117 WeakPolarHBondContact CB-OG1 3.31Å; S112-T117 PolarHBondContact O-N 3.4Å; S112-T117 PolarHBondContact O-OG1 3.3Å; S112-T117 PolarHBondContact OG-OG1 3.36Å; L115-T117 VanDerWaalsContact C-N 3.25Å; L115-T117 HydrophobicContact CB-CG2 4.02Å; L115-T117 PolarHBondContact O-N 3.19Å; T117-E119 PolarHBondContact O-N 3.42Å; T117-M120 PolarHBondContact O-N 2.95Å; T117-K121 WeakPolarHBondContact O-CB 3.41Å; T117-K121 PolarHBondContact O-N 3.18Å; T117-W208 HydrophobicContact CG2-CB 4.37Å; T117-A209 HydrophobicContact CG2-CB 3.83Å
118E92.1Very high93.7Very high136 Ų13649.3 Ų49.364%0.63626%0.26SS*.Hα-helixtrans-61.5-44.2178.2-173.9174.7-170.100112N116 M120 K121 L122N116-E118 VanDerWaalsContact C-N 3.32Å; N116-E118 PolarHBondContact O-N 3.19Å; E118-M120 VanDerWaalsContact C-N 3.32Å; E118-M120 PolarHBondContact O-N 3.36Å; E118-K121 PolarHBondContact O-N 3.31Å; E118-L122 HydrophobicContact CG-CD1 4.17Å; E118-L122 WeakPolarHBondContact O-CB 3.5Å; E118-L122 VanDerWaalsContact O-CG 3.3Å; E118-L122 WeakPolarHBondContact O-CG 3.4Å; E118-L122 PolarHBondContact O-N 3.04Å
119E92.2Very high93.8Very high82 Ų8253.6 Ų53.638%0.38328%0.28SS..Hα-helixtrans-61.5-41.8176.3-173.8-174.8177.400111.4N116 T117 K123N116-E119 HydrophobicContact CB-CB 4.21Å; N116-E119 PolarHBondContact ND2-OE2 3.42Å; N116-E119 PolarHBondContact O-N 3.49Å; T117-E119 PolarHBondContact O-N 3.42Å; E119-K123 HydrophobicContact CG-CD 4.29Å; E119-K123 WeakPolarHBondContact O-CB 3.35Å; E119-K123 VanDerWaalsContact O-CG 3.29Å; E119-K123 WeakPolarHBondContact O-CG 3.33Å; E119-K123 PolarHBondContact O-N 2.9Å; E119-K123 VanDerWaalsContact OE1-CE 3.31Å; E119-K123 WeakPolarHBondContact OE1-CE 3.06Å; E119-K123 IonicContact OE1-NZ 3.25Å; E119-K123 PolarHBondContact OE1-NZ 2.8Å
120M92.5Very high93.9Very high24 Ų2457.1 Ų57.112%0.11830%0.295CS..Hα-helixtrans-65.4-43178-73.8-58.3-67.500112.5N116 T117 E118 K123 N124 W208 V211 Q212N116-M120 PolarHBondContact O-N 3.33Å; T117-M120 PolarHBondContact O-N 2.95Å; E118-M120 VanDerWaalsContact C-N 3.32Å; E118-M120 PolarHBondContact O-N 3.36Å; M120-K123 PolarHBondContact O-N 3.04Å; M120-N124 WeakPolarHBondContact O-CB 3.27Å; M120-N124 PolarHBondContact O-N 2.6Å; M120-N124 VanDerWaalsContact O-N 3.13Å; M120-N124 PolarHBondContact O-ND2 2.85Å; M120-W208 HydrophobicContact CB-CB 4.23Å; M120-W208 HydrophobicContact CB-CD2 3.89Å; M120-W208 HydrophobicContact CB-CE3 3.75Å; M120-W208 HydrophobicContact CB-CG 4.11Å; M120-W208 HydrophobicContact CB-CZ3 4.44Å; M120-W208 HydrophobicContact CE-CE3 3.87Å; M120-W208 HydrophobicContact CE-CZ3 3.72Å; M120-W208 HydrophobicContact CG-CE3 4.46Å; M120-V211 HydrophobicContact CE-CG1 4.41Å; M120-Q212 HydrophobicContact CG-CG 3.55Å; M120-Q212 HydrophobicContact SD-CG 4.49Å; M120-Q212 PolarHBondContact SD-OE1 3.02Å
121K93Very high94Very high80 Ų8057.6 Ų57.635%0.34830%0.297SS..Hα-helixtrans-63.2-45.4176.3175.4169.7164.4153.80111.8T117 E118 K123 N124 E204 D205T117-K121 WeakPolarHBondContact O-CB 3.41Å; T117-K121 PolarHBondContact O-N 3.18Å; E118-K121 PolarHBondContact O-N 3.31Å; K121-K123 VanDerWaalsContact C-N 3.31Å; K121-K123 PolarHBondContact O-N 3.38Å; K121-N124 CarbonylContact O-C 3.59Å; K121-N124 VanDerWaalsContact O-C 3.3Å; K121-N124 PolarHBondContact O-N 2.84Å; K121-N124 VanDerWaalsContact O-N 3.1Å; K121-E204 HydrophobicContact CD-CG 4.47Å; K121-E204 VanDerWaalsContact CE-OE2 3.26Å; K121-E204 WeakPolarHBondContact CE-OE2 3.41Å; K121-E204 IonicContact NZ-OE2 3.1Å; K121-E204 PolarHBondContact NZ-OE2 2.9Å; K121-D205 IonicContact NZ-OD1 3.35Å
122L93.9Very high94.1Very high130 Ų13058.6 Ų58.668%0.68130%0.301SS*.Hα-helixtrans-61.9-36.3176.3-73.2172.4000112.8E118 N124E118-L122 HydrophobicContact CG-CD1 4.17Å; E118-L122 WeakPolarHBondContact O-CB 3.5Å; E118-L122 VanDerWaalsContact O-CG 3.3Å; E118-L122 WeakPolarHBondContact O-CG 3.4Å; E118-L122 PolarHBondContact O-N 3.04Å; L122-N124 VanDerWaalsContact C-N 3.3Å
123K93.8Very high94.1Very high129 Ų12960.9 Ų60.956%0.56131%0.31SS*.Hα-helixtrans-74.4-18.3175.8-73.4175.6-175.2173.90113.8E119 M120 K121 P125E119-K123 HydrophobicContact CG-CD 4.29Å; E119-K123 WeakPolarHBondContact O-CB 3.35Å; E119-K123 VanDerWaalsContact O-CG 3.29Å; E119-K123 WeakPolarHBondContact O-CG 3.33Å; E119-K123 PolarHBondContact O-N 2.9Å; E119-K123 VanDerWaalsContact OE1-CE 3.31Å; E119-K123 WeakPolarHBondContact OE1-CE 3.06Å; E119-K123 IonicContact OE1-NZ 3.25Å; E119-K123 PolarHBondContact OE1-NZ 2.8Å; M120-K123 PolarHBondContact O-N 3.04Å; K121-K123 VanDerWaalsContact C-N 3.31Å; K121-K123 PolarHBondContact O-N 3.38Å; K123-P125 VanDerWaalsContact C-CD 3.47Å
124N93.8Very high94.2Very high26 Ų2664.1 Ų64.114%0.13932%0.321CS..SBendtrans-132.555.8-172.3-63.8-88.2000112.1M120 K121 L122 G126 R127 W208M120-N124 WeakPolarHBondContact O-CB 3.27Å; M120-N124 PolarHBondContact O-N 2.6Å; M120-N124 VanDerWaalsContact O-N 3.13Å; M120-N124 PolarHBondContact O-ND2 2.85Å; K121-N124 CarbonylContact O-C 3.59Å; K121-N124 VanDerWaalsContact O-C 3.3Å; K121-N124 PolarHBondContact O-N 2.84Å; K121-N124 VanDerWaalsContact O-N 3.1Å; L122-N124 VanDerWaalsContact C-N 3.3Å; N124-G126 PolarHBondContact O-N 3Å; N124-R127 HydrophobicContact CB-CB 3.84Å; N124-R127 WeakPolarHBondContact O-CB 3.36Å; N124-R127 PolarHBondContact O-N 3.09Å; N124-R127 VanDerWaalsContact OD1-CD 3.22Å; N124-R127 WeakPolarHBondContact OD1-CD 3.36Å; N124-R127 PolarHBondContact OD1-NH1 3.35Å; N124-W208 HydrophobicContact CB-CH2 3.41Å; N124-W208 VanDerWaalsContact CB-CH2 3.41Å; N124-W208 HydrophobicContact CB-CZ2 3.44Å; N124-W208 VanDerWaalsContact CB-CZ2 3.44Å; N124-W208 HydrophobicContact CB-CZ3 4.46Å
125P94.4Very high94.3Very high107 Ų10763.4 Ų63.470%0.69532%0.317SS*.THydrogen-bonded Turntrans-60.5129.2-176.427-35.1000111.1K123 R127K123-P125 VanDerWaalsContact C-CD 3.47Å; P125-R127 PolarHBondContact O-N 3.49Å
126G94.1Very high94.4Very high44 Ų4464.3 Ų64.345%0.45432%0.321SS..THydrogen-bonded Turntrans70.5-6.1178.800000115.5N124 Y128 Q129 I130N124-G126 PolarHBondContact O-N 3Å; G126-Y128 VanDerWaalsContact C-N 3.32Å; G126-Y128 PolarHBondContact O-N 3.48Å; G126-Q129 PolarHBondContact O-N 3.37Å; G126-I130 PolarHBondContact O-N 3.46Å
127R95Very high94.4Very high93 Ų9369.4 Ų69.435%0.35134%0.341SS..Hα-helixtrans-62.2-39.9-176.2-169.9177173.4167.42.4112.2N124 P125 Q129 I130 M131 W208N124-R127 HydrophobicContact CB-CB 3.84Å; N124-R127 WeakPolarHBondContact O-CB 3.36Å; N124-R127 PolarHBondContact O-N 3.09Å; N124-R127 VanDerWaalsContact OD1-CD 3.22Å; N124-R127 WeakPolarHBondContact OD1-CD 3.36Å; N124-R127 PolarHBondContact OD1-NH1 3.35Å; P125-R127 PolarHBondContact O-N 3.49Å; R127-Q129 VanDerWaalsContact C-N 3.35Å; R127-Q129 PolarHBondContact O-N 3.39Å; R127-I130 PolarHBondContact O-N 3.43Å; R127-M131 HydrophobicContact CG-CE 3.88Å; R127-M131 HydrophobicContact CG-CG 4.43Å; R127-M131 HydrophobicContact CG-SD 4.05Å; R127-M131 WeakPolarHBondContact O-CG 3.42Å; R127-M131 PolarHBondContact O-N 3.06Å; R127-W208 HydrophobicContact CB-CZ2 4.49Å
128Y96.4Very high94.4Very high8 Ų871.9 Ų71.93%0.03136%0.358CS..Hα-helixtrans-56.9-48.5177.3173.6-110.6000111.7G126 I130 M131 K132 H172 A176 E203 E204 F207G126-Y128 VanDerWaalsContact C-N 3.32Å; G126-Y128 PolarHBondContact O-N 3.48Å; Y128-I130 VanDerWaalsContact C-N 3.34Å; Y128-I130 PolarHBondContact O-N 2.92Å; Y128-M131 PolarHBondContact O-N 3.28Å; Y128-K132 HydrophobicContact CE1-CD 4.12Å; Y128-K132 WeakPolarHBondContact O-CB 3.16Å; Y128-K132 PolarHBondContact O-N 3.12Å; Y128-H172 WeakPolarHBondContact OH-CB 3.49Å; Y128-A176 HydrophobicContact CD2-CB 3.99Å; Y128-A176 HydrophobicContact CE2-CB 3.65Å; Y128-E203 HydrophobicContact CE1-CG 4.23Å; Y128-E203 WeakPolarHBondContact CE1-OE1 3.48Å; Y128-E203 VanDerWaalsContact CZ-OE1 3.26Å; Y128-E203 VanDerWaalsContact OH-CG 3.25Å; Y128-E203 WeakPolarHBondContact OH-CG 3.37Å; Y128-E203 PolarHBondContact OH-OE1 2.91Å; Y128-E204 HydrophobicContact CD1-CB 3.93Å; Y128-E204 HydrophobicContact CD1-CG 3.92Å; Y128-E204 HydrophobicContact CE1-CB 4.33Å; Y128-E204 HydrophobicContact CG-CB 4.41Å; Y128-E204 HydrophobicContact CG-CG 4Å; Y128-F207 HydrophobicContact CD2-CB 3.75Å; Y128-F207 AromaticContact CD2-CD1 3.49Å; Y128-F207 HydrophobicContact CD2-CD1 3.49Å; Y128-F207 VanDerWaalsContact CD2-CD1 3.49Å; Y128-F207 AromaticContact CD2-CD2 3.89Å; Y128-F207 HydrophobicContact CD2-CD2 3.89Å; Y128-F207 HydrophobicContact CD2-CE1 4.07Å; Y128-F207 HydrophobicContact CD2-CE2 4.41Å; Y128-F207 AromaticContact CD2-CG 3.4Å; Y128-F207 HydrophobicContact CD2-CG 3.4Å; Y128-F207 HydrophobicContact CE2-CB 3.63Å; Y128-F207 HydrophobicContact CE2-CD1 4.2Å; Y128-F207 AromaticContact CE2-CD2 3.87Å; Y128-F207 HydrophobicContact CE2-CD2 3.87Å; Y128-F207 AromaticContact CE2-CG 3.62Å; Y128-F207 HydrophobicContact CE2-CG 3.62Å; Y128-F207 HydrophobicContact CG-CD1 4.29Å; Y128-F207 HydrophobicContact CG-CG 4.49Å
129Q96.7Very high94.3Very high92 Ų9265.6 Ų65.643%0.4333%0.329SS..Hα-helixtrans-62.8-40.2-179.7-170.858.534.400111.9G126 R127 K132 E133G126-Q129 PolarHBondContact O-N 3.37Å; R127-Q129 VanDerWaalsContact C-N 3.35Å; R127-Q129 PolarHBondContact O-N 3.39Å; Q129-K132 PolarHBondContact O-N 2.81Å; Q129-E133 PolarHBondContact NE2-OE1 2.82Å; Q129-E133 VanDerWaalsContact NE2-OE1 3.16Å; Q129-E133 WeakPolarHBondContact O-CG 3.42Å; Q129-E133 PolarHBondContact O-N 3.18Å
130I96.6Very high94.2Very high121 Ų12169.8 Ų69.862%0.62135%0.349SS*.Hα-helixtrans-62.1-46.9176-64.7168000111G126 R127 Y128 E133 K134G126-I130 PolarHBondContact O-N 3.46Å; R127-I130 PolarHBondContact O-N 3.43Å; Y128-I130 VanDerWaalsContact C-N 3.34Å; Y128-I130 PolarHBondContact O-N 2.92Å; I130-E133 PolarHBondContact O-N 3.35Å; I130-K134 WeakPolarHBondContact O-CB 3.34Å; I130-K134 PolarHBondContact O-N 3.46Å
131M96.3Very high94Very high10 Ų1071.6 Ų71.65%0.04936%0.357CS..Hα-helixtrans-67.8-38.9-179.1-67.3-179.2-54.500112.1R127 Y128 K134 G135 A176 E179 Y180 F207R127-M131 HydrophobicContact CG-CE 3.88Å; R127-M131 HydrophobicContact CG-CG 4.43Å; R127-M131 HydrophobicContact CG-SD 4.05Å; R127-M131 WeakPolarHBondContact O-CG 3.42Å; R127-M131 PolarHBondContact O-N 3.06Å; Y128-M131 PolarHBondContact O-N 3.28Å; M131-K134 PolarHBondContact O-N 3.35Å; M131-G135 PolarHBondContact O-N 3.43Å; M131-A176 HydrophobicContact CB-CB 4.09Å; M131-E179 HydrophobicContact CB-CB 4.21Å; M131-E179 HydrophobicContact CB-CG 3.99Å; M131-E179 HydrophobicContact CG-CG 3.93Å; M131-Y180 HydrophobicContact CE-CD2 4.02Å; M131-Y180 HydrophobicContact SD-CD2 3.72Å; M131-Y180 HydrophobicContact SD-CG 4.27Å; M131-F207 HydrophobicContact CE-CE1 3.51Å; M131-F207 HydrophobicContact CE-CE2 4.24Å; M131-F207 HydrophobicContact CE-CZ 3.26Å; M131-F207 HydrophobicContact SD-CZ 4.44Å
132K96Very high94Very high21 Ų2168 Ų689%0.09134%0.342CS..Hα-helixtrans-57.4-52.4173.2171.7179170.7169.40111.3Y128 Q129 K134 G135 K136 H172 A176 E203Y128-K132 HydrophobicContact CE1-CD 4.12Å; Y128-K132 WeakPolarHBondContact O-CB 3.16Å; Y128-K132 PolarHBondContact O-N 3.12Å; Q129-K132 PolarHBondContact O-N 2.81Å; K132-K134 VanDerWaalsContact C-N 3.34Å; K132-K134 PolarHBondContact O-N 2.96Å; K132-G135 PolarHBondContact O-N 3.44Å; K132-K136 WeakPolarHBondContact O-CG 3.49Å; K132-K136 PolarHBondContact O-N 3.03Å; K132-H172 HydrophobicContact CD-CB 3.94Å; K132-H172 VanDerWaalsContact CE-CE1 3.4Å; K132-H172 WeakPolarHBondContact CE-CE1 3.25Å; K132-H172 WeakPolarHBondContact CE-ND1 3.42Å; K132-H172 HydrophobicContact CG-CB 4.11Å; K132-H172 PolarHBondContact NZ-CE1 3.26Å; K132-H172 PolarHBondContact NZ-ND1 3.27Å; K132-H172 VanDerWaalsContact NZ-ND1 3.11Å; K132-A176 HydrophobicContact CB-CB 4.35Å; K132-E203 IonicContact NZ-OE1 2.69Å; K132-E203 PolarHBondContact NZ-OE1 2.91Å; K132-E203 IonicContact NZ-OE2 3.61Å
133E96.2Very high94Very high68 Ų6864.8 Ų64.832%0.31832%0.323SS..Hα-helixtrans-67.1-35-179.7-67.3-52.5130.700112.7Q129 I130 K136Q129-E133 PolarHBondContact NE2-OE1 2.82Å; Q129-E133 VanDerWaalsContact NE2-OE1 3.16Å; Q129-E133 WeakPolarHBondContact O-CG 3.42Å; Q129-E133 PolarHBondContact O-N 3.18Å; I130-E133 PolarHBondContact O-N 3.35Å; E133-K136 IonicContact OE1-NZ 2.67Å; E133-K136 PolarHBondContact OE1-NZ 3.24Å
134K94.7Very high93.8Very high106 Ų10664.5 Ų64.546%0.46132%0.319SS..Hα-helixtrans-68-43.5173.6-173.9170.6170-159.30111.7I130 M131 K132 K136 K137 S138 E179I130-K134 WeakPolarHBondContact O-CB 3.34Å; I130-K134 PolarHBondContact O-N 3.46Å; M131-K134 PolarHBondContact O-N 3.35Å; K132-K134 VanDerWaalsContact C-N 3.34Å; K132-K134 PolarHBondContact O-N 2.96Å; K134-K136 VanDerWaalsContact C-N 3.35Å; K134-K136 PolarHBondContact O-N 3.42Å; K134-K137 PolarHBondContact O-N 2.9Å; K134-S138 WeakPolarHBondContact O-CB 3.2Å; K134-S138 PolarHBondContact O-N 3.06Å; K134-S138 PolarHBondContact O-OG 3.48Å; K134-E179 HydrophobicContact CB-CG 4.35Å; K134-E179 HydrophobicContact CD-CG 4.07Å; K134-E179 WeakPolarHBondContact CD-OE1 3.42Å; K134-E179 VanDerWaalsContact CD-OE2 3.3Å; K134-E179 WeakPolarHBondContact CD-OE2 3.38Å; K134-E179 VanDerWaalsContact CE-CD 3.42Å; K134-E179 VanDerWaalsContact CE-OE1 3.27Å; K134-E179 WeakPolarHBondContact CE-OE1 3.38Å; K134-E179 WeakPolarHBondContact CE-OE2 3.37Å; K134-E179 HydrophobicContact CG-CG 4.33Å; K134-E179 VanDerWaalsContact NZ-CD 3.29Å; K134-E179 IonicContact NZ-OE1 3.99Å; K134-E179 PolarHBondContact NZ-OE1 3.27Å; K134-E179 IonicContact NZ-OE2 2.74Å; K134-E179 PolarHBondContact NZ-OE2 3.5Å
135G94.4Very high93.8Very high2 Ų263.3 Ų63.32%0.02131%0.312CS..Hα-helixtrans-60-41.3177.800000112.5M131 K132 K137 S138 S139M131-G135 PolarHBondContact O-N 3.43Å; K132-G135 PolarHBondContact O-N 3.44Å; G135-K137 PolarHBondContact O-N 3.14Å; G135-S138 PolarHBondContact O-N 3.37Å; G135-S139 WeakPolarHBondContact O-CB 3.1Å; G135-S139 PolarHBondContact O-N 3.27Å
136K94.8Very high93.8Very high23 Ų2359.2 Ų59.210%0.128%0.284CS..Hα-helixtrans-55.1-36.1172.8-70.3-178.7-178.4-178.80113R15 I19 E23 K132 E133 K134 H172 L175R15-K136 VanDerWaalsContact CD-O 3.3Å; R15-K136 WeakPolarHBondContact CD-O 3.48Å; I19-K136 HydrophobicContact CD1-CB 4.22Å; I19-K136 HydrophobicContact CD1-CG 3.93Å; I19-K136 HydrophobicContact CG1-CB 4.46Å; I19-K136 HydrophobicContact CG2-CD 4.44Å; E23-K136 IonicContact OE1-NZ 3.97Å; E23-K136 PolarHBondContact OE1-NZ 3.23Å; K132-K136 WeakPolarHBondContact O-CG 3.49Å; K132-K136 PolarHBondContact O-N 3.03Å; E133-K136 IonicContact OE1-NZ 2.67Å; E133-K136 PolarHBondContact OE1-NZ 3.24Å; K134-K136 VanDerWaalsContact C-N 3.35Å; K134-K136 PolarHBondContact O-N 3.42Å; K136-H172 WeakPolarHBondContact CE-NE2 3.4Å; K136-L175 HydrophobicContact CG-CD1 4.07Å
137K92.9Very high93.8Very high154 Ų15465.4 Ų65.467%0.6729%0.294SS*.Hα-helixtrans-89.7-22.1-176.2-65.3177.2-176.3-1800114.3R15 K134 G135R15-K137 PolarHBondContact NE-O 3.46Å; R15-K137 PolarHBondContact NH1-O 2.98Å; R15-K137 PolarHBondContact NH2-O 3.14Å; K134-K137 PolarHBondContact O-N 2.9Å; G135-K137 PolarHBondContact O-N 3.14Å
138S91.6Very high93.6Very high53 Ų5362.1 Ų62.137%0.37128%0.283SS..Hα-helixtrans-126.7-12.2-166.159.40000115.2K134 G135 E140K134-S138 WeakPolarHBondContact O-CB 3.2Å; K134-S138 PolarHBondContact O-N 3.06Å; K134-S138 PolarHBondContact O-OG 3.48Å; G135-S138 PolarHBondContact O-N 3.37Å; S138-E140 PolarHBondContact O-N 3.06Å
139S91.4Very high93.4Very high4 Ų461.7 Ų61.73%0.02828%0.282CS..  trans-56.8129.3-179177.30000111.9R15 G135 H141 I142 L175 E178R15-S139 WeakPolarHBondContact CD-O 3.2Å; R15-S139 PolarHBondContact NH1-O 2.81Å; G135-S139 WeakPolarHBondContact O-CB 3.1Å; G135-S139 PolarHBondContact O-N 3.27Å; S139-H141 PolarHBondContact OG-N 2.88Å; S139-I142 PolarHBondContact OG-N 3.26Å; S139-I142 VanDerWaalsContact OG-N 3.15Å; S139-L175 VanDerWaalsContact CB-CD2 3.43Å; S139-L175 WeakPolarHBondContact OG-CD2 3.24Å; S139-E178 VanDerWaalsContact CB-OE2 3.24Å; S139-E178 WeakPolarHBondContact CB-OE2 3.43Å; S139-E178 PolarHBondContact OG-OE1 3.13Å; S139-E178 PolarHBondContact OG-OE2 3.34Å
140E88.7Confident93.2Very high170 Ų17058.9 Ų58.979%0.79427%0.272SS*.SBendtrans-91-21.1172.1-62-176.1164.300110.8S138 E178S138-E140 PolarHBondContact O-N 3.06Å; E140-E178 PolarHBondContact N-OE1 3.43Å
141H89.7Confident92.7Very high62 Ų6255.4 Ų55.429%0.28727%0.266SS..SBendtrans-96.13-174.8-59.495.3000114.1S139 Q143 R144 I145 E178 Y186S139-H141 PolarHBondContact OG-N 2.88Å; H141-Q143 VanDerWaalsContact C-N 3.27Å; H141-Q143 PolarHBondContact O-N 2.83Å; H141-Q143 VanDerWaalsContact O-N 3.09Å; H141-R144 WeakPolarHBondContact O-CA 3.17Å; H141-R144 WeakPolarHBondContact O-CB 3.46Å; H141-R144 PolarHBondContact O-N 3.03Å; H141-I145 HydrophobicContact CB-CD1 4.3Å; H141-I145 HydrophobicContact CB-CG1 4.37Å; H141-I145 WeakPolarHBondContact O-CG1 3.29Å; H141-I145 PolarHBondContact O-N 3.29Å; H141-E178 IonicContact CE1-OE1 3.77Å; H141-E178 IonicContact CG-OE1 2.65Å; H141-E178 IonicContact ND1-OE1 2.72Å; H141-E178 PolarHBondContact ND1-OE1 3.39Å; H141-Y186 HydrophobicContact CB-CD1 4.46Å; H141-Y186 HydrophobicContact CB-CG 4.44Å
142I93.3Very high92.3Very high6 Ų655 Ų553%0.03126%0.264CS..Hα-helixtrans-52.1-39.1-171.3-167.5173000114.3R15 I18 I19 S139 R144 I145 D146 L175R15-I142 HydrophobicContact CB-CD1 4.48Å; R15-I142 HydrophobicContact CB-CG2 3.91Å; R15-I142 HydrophobicContact CG-CB 4.49Å; R15-I142 HydrophobicContact CG-CD1 3.71Å; R15-I142 HydrophobicContact CG-CG2 3.94Å; I18-I142 HydrophobicContact CB-CD1 4.06Å; I18-I142 HydrophobicContact CB-CG1 4.45Å; I18-I142 HydrophobicContact CD1-CG2 4.34Å; I18-I142 HydrophobicContact CG2-CD1 3.83Å; I18-I142 HydrophobicContact CG2-CG1 3.95Å; I19-I142 HydrophobicContact CD1-CD1 3.52Å; I19-I142 HydrophobicContact CG1-CD1 3.69Å; S139-I142 PolarHBondContact OG-N 3.26Å; S139-I142 VanDerWaalsContact OG-N 3.15Å; I142-R144 VanDerWaalsContact C-N 3.32Å; I142-R144 PolarHBondContact O-N 3.29Å; I142-I145 PolarHBondContact O-N 3.47Å; I142-D146 PolarHBondContact O-N 3.3Å; I142-L175 HydrophobicContact CG1-CD2 4.4Å
143Q92.3Very high91.7Very high62 Ų6255.5 Ų55.529%0.2927%0.268SS..Hα-helixtrans-65-38.4178.4-68.9-1784.500112.3E14 I18 H141 R147E14-Q143 HydrophobicContact CG-CG 4.3Å; I18-Q143 HydrophobicContact CD1-CB 4.47Å; I18-Q143 HydrophobicContact CD1-CG 3.85Å; H141-Q143 VanDerWaalsContact C-N 3.27Å; H141-Q143 PolarHBondContact O-N 2.83Å; H141-Q143 VanDerWaalsContact O-N 3.09Å; Q143-R147 WeakPolarHBondContact O-CB 3.49Å; Q143-R147 PolarHBondContact O-N 3.31Å; Q143-R147 VanDerWaalsContact O-N 3.14Å
144R91.6Very high91.2Very high123 Ų12355.9 Ų55.946%0.46427%0.266SS..Hα-helixtrans-68.9-41.1175.7-169.7179.9175.3169.51.6110.1H141 I142 R147 D148 Y186H141-R144 WeakPolarHBondContact O-CA 3.17Å; H141-R144 WeakPolarHBondContact O-CB 3.46Å; H141-R144 PolarHBondContact O-N 3.03Å; I142-R144 VanDerWaalsContact C-N 3.32Å; I142-R144 PolarHBondContact O-N 3.29Å; R144-R147 PolarHBondContact O-N 3.35Å; R144-D148 WeakPolarHBondContact O-CB 3.33Å; R144-D148 PolarHBondContact O-N 2.98Å; R144-Y186 HydrophobicContact CB-CE1 4.47Å; R144-Y186 HydrophobicContact CG-CD1 4.2Å; R144-Y186 HydrophobicContact CG-CE1 3.96Å
145I93.7Very high90.6Very high0 Ų058.2 Ų58.20%028%0.277CS..Hα-helixtrans-61.5-50.6175.7-59.5173.4000110.5H141 I142 R147 D148 V149 L171 L174 L175 Y186H141-I145 HydrophobicContact CB-CD1 4.3Å; H141-I145 HydrophobicContact CB-CG1 4.37Å; H141-I145 WeakPolarHBondContact O-CG1 3.29Å; H141-I145 PolarHBondContact O-N 3.29Å; I142-I145 PolarHBondContact O-N 3.47Å; I145-R147 VanDerWaalsContact C-N 3.31Å; I145-R147 PolarHBondContact O-N 2.85Å; I145-D148 PolarHBondContact O-N 2.91Å; I145-V149 HydrophobicContact CG2-CG2 4.12Å; I145-V149 WeakPolarHBondContact O-CB 3.39Å; I145-V149 VanDerWaalsContact O-CG2 3.25Å; I145-V149 WeakPolarHBondContact O-CG2 3.49Å; I145-V149 PolarHBondContact O-N 3.04Å; I145-L171 HydrophobicContact CB-CD1 4.46Å; I145-L171 HydrophobicContact CG2-CD1 3.7Å; I145-L174 HydrophobicContact CD1-CB 4.4Å; I145-L174 HydrophobicContact CG2-CB 3.8Å; I145-L174 HydrophobicContact CG2-CD1 3.65Å; I145-L174 HydrophobicContact CG2-CG 4.38Å; I145-L175 HydrophobicContact CD1-CD2 3.91Å; I145-Y186 HydrophobicContact CD1-CD2 4.12Å; I145-Y186 HydrophobicContact CD1-CG 4.22Å; I145-Y186 HydrophobicContact CG1-CD1 3.85Å; I145-Y186 HydrophobicContact CG1-CD2 3.73Å; I145-Y186 HydrophobicContact CG1-CE1 3.93Å; I145-Y186 HydrophobicContact CG1-CE2 3.81Å; I145-Y186 HydrophobicContact CG1-CG 3.74Å
146D94.5Very high90.3Very high21 Ų2158.5 Ų58.511%0.11228%0.277CS..Hα-helixtrans-56.3-45.7177.9174.264.6000111.6I18 Y22 I142 D148 V149 S150 R162I18-D146 HydrophobicContact CG2-CB 3.99Å; Y22-D146 HydrophobicContact CE2-CB 4.44Å; Y22-D146 WeakPolarHBondContact CE2-OD1 3.47Å; Y22-D146 PolarHBondContact OH-OD1 2.95Å; Y22-D146 VanDerWaalsContact OH-OD1 3.09Å; I142-D146 PolarHBondContact O-N 3.3Å; D146-D148 PolarHBondContact O-N 3.43Å; D146-V149 PolarHBondContact O-N 3.44Å; D146-S150 WeakPolarHBondContact O-CB 3.34Å; D146-S150 PolarHBondContact O-N 3.3Å; D146-R162 IonicContact OD1-CZ 2.78Å; D146-R162 IonicContact OD1-NH1 2.56Å; D146-R162 PolarHBondContact OD1-NH1 3.33Å; D146-R162 IonicContact OD1-NH2 3.32Å; D146-R162 PolarHBondContact OD1-NH2 2.9Å; D146-R162 IonicContact OD2-CZ 3.59Å; D146-R162 IonicContact OD2-NH1 3.92Å; D146-R162 IonicContact OD2-NH2 3.55Å; D146-R162 PolarHBondContact OD2-NH2 3.45Å
147R92.6Very high90Very high175 Ų17559.4 Ų59.466%0.6628%0.283SS*.Hα-helixtrans-60-46.9177.4-173.3-176-59.3-171.42.1111.5Q143 R144 I145 S150 G151Q143-R147 WeakPolarHBondContact O-CB 3.49Å; Q143-R147 PolarHBondContact O-N 3.31Å; Q143-R147 VanDerWaalsContact O-N 3.14Å; R144-R147 PolarHBondContact O-N 3.35Å; I145-R147 VanDerWaalsContact C-N 3.31Å; I145-R147 PolarHBondContact O-N 2.85Å; R147-S150 WeakPolarHBondContact O-CB 3.39Å; R147-S150 PolarHBondContact O-N 2.97Å; R147-S150 PolarHBondContact O-OG 2.69Å; R147-G151 PolarHBondContact O-N 2.97Å
148D91.3Very high89.7Confident23 Ų2356.4 Ų56.412%0.12327%0.27CS..Hα-helixtrans-69.6-39.2-178.7-73-23.4000111.4R144 I145 D146 S150 G151 T152 Y186 R188R144-D148 WeakPolarHBondContact O-CB 3.33Å; R144-D148 PolarHBondContact O-N 2.98Å; I145-D148 PolarHBondContact O-N 2.91Å; D146-D148 PolarHBondContact O-N 3.43Å; D148-S150 VanDerWaalsContact C-N 3.29Å; D148-S150 PolarHBondContact O-N 3.2Å; D148-G151 PolarHBondContact O-N 3.18Å; D148-G151 VanDerWaalsContact O-N 3.17Å; D148-T152 PolarHBondContact O-N 3.4Å; D148-T152 VanDerWaalsContact O-N 3.13Å; D148-T152 PolarHBondContact O-OG1 3.36Å; D148-Y186 WeakPolarHBondContact CB-OH 3.44Å; D148-Y186 WeakPolarHBondContact OD2-CE1 3.34Å; D148-Y186 PolarHBondContact OD2-OH 3.07Å; D148-Y186 VanDerWaalsContact OD2-OH 3.12Å; D148-R188 WeakPolarHBondContact OD2-CA 3.43Å; D148-R188 WeakPolarHBondContact OD2-CB 3.46Å; D148-R188 WeakPolarHBondContact OD2-CG 3.22Å
149V93.1Very high89.6Confident0 Ų053.9 Ų53.90%025%0.252CS..Hα-helixtrans-59.8-39.5172170.30000111.1Y22 I145 D146 G151 T152 Q167 L170 L174Y22-V149 HydrophobicContact CE1-CG1 4.26Å; Y22-V149 WeakPolarHBondContact OH-CB 3.32Å; Y22-V149 WeakPolarHBondContact OH-CG1 3.29Å; I145-V149 HydrophobicContact CG2-CG2 4.12Å; I145-V149 WeakPolarHBondContact O-CB 3.39Å; I145-V149 VanDerWaalsContact O-CG2 3.25Å; I145-V149 WeakPolarHBondContact O-CG2 3.49Å; I145-V149 PolarHBondContact O-N 3.04Å; D146-V149 PolarHBondContact O-N 3.44Å; V149-G151 PolarHBondContact O-N 2.86Å; V149-T152 PolarHBondContact O-N 3.18Å; V149-Q167 HydrophobicContact CG1-CB 3.77Å; V149-Q167 HydrophobicContact CG1-CG 4.06Å; V149-L170 HydrophobicContact CB-CD2 4.39Å; V149-L170 HydrophobicContact CG1-CD2 4.16Å; V149-L170 HydrophobicContact CG2-CD2 3.91Å; V149-L170 HydrophobicContact CG2-CG 3.94Å; V149-L174 HydrophobicContact CG2-CD1 3.88Å
150S90.6Very high89.3Confident33 Ų3354.5 Ų54.523%0.23125%0.254CS..Hα-helixtrans-62.2-25.6178870000114.2D146 R147 D148 R154 R162D146-S150 WeakPolarHBondContact O-CB 3.34Å; D146-S150 PolarHBondContact O-N 3.3Å; R147-S150 WeakPolarHBondContact O-CB 3.39Å; R147-S150 PolarHBondContact O-N 2.97Å; R147-S150 PolarHBondContact O-OG 2.69Å; D148-S150 VanDerWaalsContact C-N 3.29Å; D148-S150 PolarHBondContact O-N 3.2Å; S150-R154 WeakPolarHBondContact O-CD 3.38Å; S150-R154 WeakPolarHBondContact O-CG 3.37Å; S150-R154 PolarHBondContact O-NE 3.02Å; S150-R162 VanDerWaalsContact CB-NH2 3.29Å
151G86.9Confident89.1Confident48 Ų4848.1 Ų48.150%0.49523%0.226SC..Hα-helixtrans-98.5-13.8179.400000114R147 D148 V149 R154R147-G151 PolarHBondContact O-N 2.97Å; D148-G151 PolarHBondContact O-N 3.18Å; D148-G151 VanDerWaalsContact O-N 3.17Å; V149-G151 PolarHBondContact O-N 2.86Å; G151-R154 WeakPolarHBondContact O-CG 3.42Å
152T88.2Confident89.2Confident0 Ų046.9 Ų46.90%022%0.218CC..THydrogen-bonded Turntrans-78.4126.7-169.1-64.20000112D148 V149 R154 F159 L170 S191 A195D148-T152 PolarHBondContact O-N 3.4Å; D148-T152 VanDerWaalsContact O-N 3.13Å; D148-T152 PolarHBondContact O-OG1 3.36Å; V149-T152 PolarHBondContact O-N 3.18Å; T152-R154 PolarHBondContact O-N 2.9Å; T152-F159 WeakPolarHBondContact O-CB 3.4Å; T152-L170 HydrophobicContact CG2-CD2 4.06Å; T152-S191 PolarHBondContact OG1-OG 2.74Å; T152-A195 HydrophobicContact CG2-CB 3.37Å
153L83.5Confident89.1Confident33 Ų3347.2 Ų47.217%0.17322%0.219CC..THydrogen-bonded Turntrans48.434.2174.7-66.4-178000115.1K155 H156 F159 A195 L199L153-K155 PolarHBondContact O-N 3.01Å; L153-H156 HydrophobicContact CB-CB 4.29Å; L153-H156 WeakPolarHBondContact O-CA 3.31Å; L153-H156 VanDerWaalsContact O-CB 3.26Å; L153-H156 WeakPolarHBondContact O-CB 3.33Å; L153-H156 PolarHBondContact O-N 3.5Å; L153-F159 HydrophobicContact CB-CB 4.19Å; L153-F159 HydrophobicContact CB-CD2 3.72Å; L153-F159 HydrophobicContact CB-CE2 4.39Å; L153-F159 HydrophobicContact CB-CG 4.11Å; L153-F159 HydrophobicContact CD1-CD2 4.02Å; L153-F159 HydrophobicContact CD1-CE2 3.87Å; L153-A195 HydrophobicContact CD1-CB 3.78Å; L153-A195 HydrophobicContact CG-CB 4.34Å; L153-L199 HydrophobicContact CD1-CD1 4.19Å; L153-L199 HydrophobicContact CD1-CG 4.46Å
154R85Confident89Confident75 Ų7544.9 Ų44.928%0.28321%0.212SC..THydrogen-bonded Turntrans-59.9-21.4-171.5-67.3-69.7-85170.41.4116.4S150 G151 T152 H156 F159 R160S150-R154 WeakPolarHBondContact O-CD 3.38Å; S150-R154 WeakPolarHBondContact O-CG 3.37Å; S150-R154 PolarHBondContact O-NE 3.02Å; G151-R154 WeakPolarHBondContact O-CG 3.42Å; T152-R154 PolarHBondContact O-N 2.9Å; R154-H156 VanDerWaalsContact C-N 3.31Å; R154-F159 WeakPolarHBondContact CD-O 3.14Å; R154-F159 PolarHBondContact NH1-O 3.25Å; R154-F159 VanDerWaalsContact NH1-O 3.09Å; R154-R160 VanDerWaalsContact CZ-O 3.25Å; R154-R160 VanDerWaalsContact NH1-C 3.33Å; R154-R160 PolarHBondContact NH1-O 3.09Å; R154-R160 PolarHBondContact NH2-O 3.24Å
155K83.4Confident89Confident156 Ų15641.9 Ų41.968%0.67821%0.207SC*.THydrogen-bonded Turntrans-77.9-18.1174.3-60.4-175.6177.6179.80112.7I51 V52 L153I51-K155 CarbonylContact C-O 3.58Å; I51-K155 WeakPolarHBondContact CA-O 3.38Å; I51-K155 HydrophobicContact CG2-CB 4.06Å; V52-K155 PolarHBondContact N-O 3.1Å; L153-K155 PolarHBondContact O-N 3.01Å
156H87.1Confident88.9Confident8 Ų844 Ų444%0.03722%0.217CC..BIsolated β-bridgetrans-82.1135178.6-168.5-81000110.2L49 G50 I51 L153 R154 F158 F159 R160 L199L49-H156 PolarHBondContact O-CD2 3Å; L49-H156 PolarHBondContact O-NE2 3.35Å; G50-H156 CarbonylContact O-C 3.58Å; G50-H156 WeakPolarHBondContact O-CA 3.39Å; I51-H156 HydrophobicContact CD1-CB 4.12Å; L153-H156 HydrophobicContact CB-CB 4.29Å; L153-H156 WeakPolarHBondContact O-CA 3.31Å; L153-H156 VanDerWaalsContact O-CB 3.26Å; L153-H156 WeakPolarHBondContact O-CB 3.33Å; L153-H156 PolarHBondContact O-N 3.5Å; R154-H156 VanDerWaalsContact C-N 3.31Å; H156-F158 AromaticContact CE1-CD2 3.4Å; H156-F158 WeakPolarHBondContact CE1-CD2 3.25Å; H156-F158 AromaticContact CE1-CG 3.64Å; H156-F158 WeakPolarHBondContact ND1-CB 3.45Å; H156-F158 AromaticContact ND1-CD2 3.91Å; H156-F158 AromaticContact ND1-CG 3.79Å; H156-F158 PolarHBondContact ND1-N 3.48Å; H156-F158 PolarHBondContact O-N 3.25Å; H156-F158 VanDerWaalsContact O-N 3.09Å; H156-F159 HydrophobicContact CB-CD2 4.49Å; H156-F159 PolarHBondContact O-N 3.34Å; H156-R160 PolarHBondContact O-N 3.45Å; H156-L199 WeakPolarHBondContact CE1-CD2 3.32Å
157I88Confident88.9Confident42 Ų4243 Ų4322%0.21521%0.212CC..G310 helixtrans-52.4-38-174.5-168.1172.1000112.9Y42 V46 G50 V52 F159Y42-I157 HydrophobicContact CD1-CD1 4.11Å; V46-I157 HydrophobicContact CG2-CD1 4.27Å; G50-I157 PolarHBondContact O-N 2.53Å; V52-I157 HydrophobicContact CG2-CB 4.1Å; V52-I157 HydrophobicContact CG2-CG1 4.49Å; I157-F159 PolarHBondContact O-N 3.16Å
158F87.7Confident89.1Confident90 Ų9037.4 Ų37.440%0.39519%0.19SC..G310 helixtrans-67.3-31.1178.7-70.4-15.8000115.3H156 K166 L199H156-F158 AromaticContact CE1-CD2 3.4Å; H156-F158 WeakPolarHBondContact CE1-CD2 3.25Å; H156-F158 AromaticContact CE1-CG 3.64Å; H156-F158 WeakPolarHBondContact ND1-CB 3.45Å; H156-F158 AromaticContact ND1-CD2 3.91Å; H156-F158 AromaticContact ND1-CG 3.79Å; H156-F158 PolarHBondContact ND1-N 3.48Å; H156-F158 PolarHBondContact O-N 3.25Å; H156-F158 VanDerWaalsContact O-N 3.09Å; F158-K166 HydrophobicContact CB-CB 4.11Å; F158-K166 HydrophobicContact CB-CG 3.84Å; F158-K166 HydrophobicContact CG-CG 4.14Å; F158-K166 WeakPolarHBondContact O-CB 3.27Å; F158-L199 HydrophobicContact CD2-CD2 3.9Å
159F89Confident89.3Confident0 Ų037.8 Ų37.80%019%0.191CC..G310 helixtrans-107.75.5-175.5-65.6-79.6000113T152 L153 R154 H156 I157 K166 Q167 L170 A195 L198 L199T152-F159 WeakPolarHBondContact O-CB 3.4Å; L153-F159 HydrophobicContact CB-CB 4.19Å; L153-F159 HydrophobicContact CB-CD2 3.72Å; L153-F159 HydrophobicContact CB-CE2 4.39Å; L153-F159 HydrophobicContact CB-CG 4.11Å; L153-F159 HydrophobicContact CD1-CD2 4.02Å; L153-F159 HydrophobicContact CD1-CE2 3.87Å; R154-F159 WeakPolarHBondContact CD-O 3.14Å; R154-F159 PolarHBondContact NH1-O 3.25Å; R154-F159 VanDerWaalsContact NH1-O 3.09Å; H156-F159 HydrophobicContact CB-CD2 4.49Å; H156-F159 PolarHBondContact O-N 3.34Å; I157-F159 PolarHBondContact O-N 3.16Å; F159-K166 HydrophobicContact CD1-CB 4.29Å; F159-K166 HydrophobicContact CE1-CB 4.01Å; F159-K166 WeakPolarHBondContact CE1-O 3.24Å; F159-K166 HydrophobicContact CZ-CB 4.29Å; F159-Q167 HydrophobicContact CD1-CG 4.23Å; F159-Q167 PolarHBondContact O-NE2 3.18Å; F159-L170 HydrophobicContact CD1-CD2 4.35Å; F159-L170 HydrophobicContact CE1-CB 4.15Å; F159-L170 HydrophobicContact CE1-CD2 3.9Å; F159-A195 HydrophobicContact CE1-CB 4.02Å; F159-A195 HydrophobicContact CE2-CB 4.07Å; F159-A195 HydrophobicContact CZ-CB 3.63Å; F159-L198 HydrophobicContact CE1-CD2 4.22Å; F159-L198 HydrophobicContact CZ-CB 4.33Å; F159-L198 HydrophobicContact CZ-CD2 4.06Å; F159-L199 HydrophobicContact CD2-CD2 4.29Å; F159-L199 HydrophobicContact CE2-CD2 3.67Å; F159-L199 HydrophobicContact CE2-CG 4.34Å
160R85.2Confident89.5Confident17 Ų1737.8 Ų37.86%0.06419%0.191CC..SBendtrans-69.8-39.8-176.8-179.9179.6169.9175.30.1112.8P36 K37 R154 H156P36-R160 PolarHBondContact O-NH2 2.95Å; K37-R160 PolarHBondContact O-NH2 3.44Å; R154-R160 VanDerWaalsContact CZ-O 3.25Å; R154-R160 VanDerWaalsContact NH1-C 3.33Å; R154-R160 PolarHBondContact NH1-O 3.09Å; R154-R160 PolarHBondContact NH2-O 3.24Å; H156-R160 PolarHBondContact O-N 3.45Å
161D85.3Confident89.8Confident37 Ų3736.2 Ų36.220%0.19818%0.18CC..SBendtrans-86.1129.5-175.6-62.7-28.4000110.4Y163 G164 Q167D161-Y163 PolarHBondContact O-N 3.39Å; D161-G164 PolarHBondContact O-N 2.83Å; D161-G164 VanDerWaalsContact O-N 3.16Å; D161-Q167 PolarHBondContact O-OE1 3.19Å
162R90.8Very high90.3Very high35 Ų3534.2 Ų34.213%0.13216%0.158CC..THydrogen-bonded Turntrans-65.7132175.5-104.6-56.4-141.6163.59.9108.8H26 D33 D146 S150 G164H26-R162 PolarHBondContact ND1-O 3.31Å; D33-R162 WeakPolarHBondContact O-CB 3.32Å; D146-R162 IonicContact OD1-CZ 2.78Å; D146-R162 IonicContact OD1-NH1 2.56Å; D146-R162 PolarHBondContact OD1-NH1 3.33Å; D146-R162 IonicContact OD1-NH2 3.32Å; D146-R162 PolarHBondContact OD1-NH2 2.9Å; D146-R162 IonicContact OD2-CZ 3.59Å; D146-R162 IonicContact OD2-NH1 3.92Å; D146-R162 IonicContact OD2-NH2 3.55Å; D146-R162 PolarHBondContact OD2-NH2 3.45Å; S150-R162 VanDerWaalsContact CB-NH2 3.29Å; R162-G164 PolarHBondContact O-N 3.35Å
163Y91.5Very high90.7Very high13 Ų1334.2 Ų34.25%0.05116%0.158CC..THydrogen-bonded Turntrans60.320.5-175.5-46-65.5000113.4K21 Y22 G25 D33 D161K21-Y163 HydrophobicContact CB-CD1 3.99Å; K21-Y163 HydrophobicContact CB-CD2 4.45Å; K21-Y163 HydrophobicContact CB-CE1 3.79Å; K21-Y163 HydrophobicContact CB-CE2 4.26Å; K21-Y163 HydrophobicContact CB-CG 4.33Å; K21-Y163 HydrophobicContact CD-CE1 4.42Å; K21-Y163 HydrophobicContact CD-CE2 4.45Å; Y22-Y163 AromaticContact CD1-CD1 3.93Å; Y22-Y163 HydrophobicContact CD1-CD1 3.93Å; Y22-Y163 AromaticContact CD2-CD1 3.73Å; Y22-Y163 HydrophobicContact CD2-CD1 3.73Å; Y22-Y163 AromaticContact CD2-CE1 3.94Å; Y22-Y163 HydrophobicContact CD2-CE1 3.94Å; Y22-Y163 AromaticContact CE1-CD1 3.97Å; Y22-Y163 HydrophobicContact CE1-CD1 3.97Å; Y22-Y163 AromaticContact CE2-CD1 3.75Å; Y22-Y163 HydrophobicContact CE2-CD1 3.75Å; Y22-Y163 AromaticContact CE2-CE1 3.7Å; Y22-Y163 HydrophobicContact CE2-CE1 3.7Å; Y22-Y163 AromaticContact CG-CD1 3.84Å; Y22-Y163 HydrophobicContact CG-CD1 3.84Å; Y22-Y163 AromaticContact CZ-CD1 3.89Å; G25-Y163 WeakPolarHBondContact CA-O 3.37Å; D33-Y163 HydrophobicContact CB-CD2 4.32Å; D33-Y163 HydrophobicContact CB-CE2 4.37Å; D33-Y163 WeakPolarHBondContact OD1-CE2 3.22Å; D161-Y163 PolarHBondContact O-N 3.39Å
164G89.9Confident91.3Very high14 Ų1432.7 Ų32.714%0.14415%0.15CC..  trans-66.7164.1172.700000112.1D161 R162 K166 Q167 R168D161-G164 PolarHBondContact O-N 2.83Å; D161-G164 VanDerWaalsContact O-N 3.16Å; R162-G164 PolarHBondContact O-N 3.35Å; G164-K166 VanDerWaalsContact C-N 3.28Å; G164-K166 PolarHBondContact O-N 3.04Å; G164-K166 VanDerWaalsContact O-N 3.14Å; G164-Q167 WeakPolarHBondContact O-CA 3.25Å; G164-Q167 WeakPolarHBondContact O-CB 3.18Å; G164-Q167 PolarHBondContact O-N 3.16Å; G164-R168 PolarHBondContact O-N 2.72Å
165T91.3Very high91.8Very high59 Ų5929.1 Ų29.136%0.36214%0.136SC..Hα-helixtrans-49.7-45.4-175.4-49.40000113R168 E169T165-R168 WeakPolarHBondContact O-CB 3.36Å; T165-R168 PolarHBondContact O-N 3.18Å; T165-E169 WeakPolarHBondContact O-CG 3.35Å; T165-E169 PolarHBondContact O-N 2.85Å
166K93.1Very high92.4Very high46 Ų4621.7 Ų21.720%0.210%0.104CC..Hα-helixtrans-75.2-27.5-179.3-64.6-68.7-177.3-1690113.8F158 F159 G164 E169 L170 L198F158-K166 HydrophobicContact CB-CB 4.11Å; F158-K166 HydrophobicContact CB-CG 3.84Å; F158-K166 HydrophobicContact CG-CG 4.14Å; F158-K166 WeakPolarHBondContact O-CB 3.27Å; F159-K166 HydrophobicContact CD1-CB 4.29Å; F159-K166 HydrophobicContact CE1-CB 4.01Å; F159-K166 WeakPolarHBondContact CE1-O 3.24Å; F159-K166 HydrophobicContact CZ-CB 4.29Å; G164-K166 VanDerWaalsContact C-N 3.28Å; G164-K166 PolarHBondContact O-N 3.04Å; G164-K166 VanDerWaalsContact O-N 3.14Å; K166-E169 WeakPolarHBondContact CD-OE2 3.25Å; K166-E169 WeakPolarHBondContact CE-OE2 3.31Å; K166-E169 IonicContact NZ-OE1 3.7Å; K166-E169 PolarHBondContact NZ-OE1 3.47Å; K166-E169 IonicContact NZ-OE2 2.95Å; K166-E169 PolarHBondContact NZ-OE2 2.89Å; K166-L170 VanDerWaalsContact O-CB 3.25Å; K166-L170 WeakPolarHBondContact O-CB 2.99Å; K166-L170 PolarHBondContact O-N 3.37Å; K166-L198 HydrophobicContact CD-CD2 4.19Å; K166-L198 HydrophobicContact CD-CG 4.12Å; K166-L198 WeakPolarHBondContact O-CD2 3.35Å
167Q94.4Very high92.7Very high0 Ų021.7 Ų21.70%010%0.104CC..Hα-helixtrans-69-37.5168.8-68.8-160.8-14.900111.3Y22 V149 F159 D161 G164 L170 L171Y22-Q167 HydrophobicContact CE1-CB 3.98Å; Y22-Q167 WeakPolarHBondContact CE1-O 3.16Å; V149-Q167 HydrophobicContact CG1-CB 3.77Å; V149-Q167 HydrophobicContact CG1-CG 4.06Å; F159-Q167 HydrophobicContact CD1-CG 4.23Å; F159-Q167 PolarHBondContact O-NE2 3.18Å; D161-Q167 PolarHBondContact O-OE1 3.19Å; G164-Q167 WeakPolarHBondContact O-CA 3.25Å; G164-Q167 WeakPolarHBondContact O-CB 3.18Å; G164-Q167 PolarHBondContact O-N 3.16Å; Q167-L170 PolarHBondContact O-N 3.13Å; Q167-L171 PolarHBondContact O-N 2.95Å
168R95.3Very high92.9Very high57 Ų5720.8 Ų20.822%0.21510%0.099CC..Hα-helixtrans-65-50175.3-179.5179.669.2-172.31.7112Y22 G164 T165 L170 L171 H172Y22-R168 HydrophobicContact CD1-CB 3.94Å; Y22-R168 HydrophobicContact CD1-CG 4.47Å; Y22-R168 WeakPolarHBondContact O-CD 3.38Å; G164-R168 PolarHBondContact O-N 2.72Å; T165-R168 WeakPolarHBondContact O-CB 3.36Å; T165-R168 PolarHBondContact O-N 3.18Å; R168-L170 VanDerWaalsContact C-N 3.26Å; R168-L170 PolarHBondContact O-N 3.32Å; R168-L171 WeakPolarHBondContact O-CB 3.2Å; R168-L171 PolarHBondContact O-N 3.38Å; R168-L171 VanDerWaalsContact O-N 3.16Å; R168-H172 VanDerWaalsContact CG-CE1 3.47Å; R168-H172 WeakPolarHBondContact CG-CE1 3.26Å; R168-H172 VanDerWaalsContact O-CG 3.25Å; R168-H172 PolarHBondContact O-N 2.79Å; R168-H172 PolarHBondContact O-ND1 2.87Å
169E96.7Very high93.2Very high30 Ų3019.1 Ų19.114%0.149%0.092CC..Hα-helixtrans-55.9-42.4173.6-73.1177.3-160.300111.2T165 K166 H172 I173 L198 E203T165-E169 WeakPolarHBondContact O-CG 3.35Å; T165-E169 PolarHBondContact O-N 2.85Å; K166-E169 WeakPolarHBondContact CD-OE2 3.25Å; K166-E169 WeakPolarHBondContact CE-OE2 3.31Å; K166-E169 IonicContact NZ-OE1 3.7Å; K166-E169 PolarHBondContact NZ-OE1 3.47Å; K166-E169 IonicContact NZ-OE2 2.95Å; K166-E169 PolarHBondContact NZ-OE2 2.89Å; E169-H172 WeakPolarHBondContact O-CB 3.18Å; E169-H172 PolarHBondContact O-N 2.82Å; E169-I173 WeakPolarHBondContact O-CG1 3.5Å; E169-I173 PolarHBondContact O-N 3.25Å; E169-L198 HydrophobicContact CB-CD1 4.15Å; E169-L198 HydrophobicContact CB-CD2 3.67Å; E169-L198 HydrophobicContact CB-CG 4.43Å; E169-L198 VanDerWaalsContact OE2-CD1 3.24Å; E169-L198 WeakPolarHBondContact OE2-CD1 3.48Å; E169-E203 WeakPolarHBondContact CA-OE2 3.25Å; E169-E203 HydrophobicContact CB-CB 4.41Å; E169-E203 HydrophobicContact CB-CG 3.99Å; E169-E203 HydrophobicContact CG-CB 4.21Å; E169-E203 HydrophobicContact CG-CG 4.14Å; E169-E203 VanDerWaalsContact CG-OE2 3.31Å; E169-E203 WeakPolarHBondContact CG-OE2 3.3Å
170L96.6Very high93.2Very high0 Ų021.6 Ų21.60%010%0.102CC..Hα-helixtrans-62.3-45175.8179.260.9000112.3V149 T152 F159 K166 Q167 R168 H172 I173 L174 S191 A194 A195 L198V149-L170 HydrophobicContact CB-CD2 4.39Å; V149-L170 HydrophobicContact CG1-CD2 4.16Å; V149-L170 HydrophobicContact CG2-CD2 3.91Å; V149-L170 HydrophobicContact CG2-CG 3.94Å; T152-L170 HydrophobicContact CG2-CD2 4.06Å; F159-L170 HydrophobicContact CD1-CD2 4.35Å; F159-L170 HydrophobicContact CE1-CB 4.15Å; F159-L170 HydrophobicContact CE1-CD2 3.9Å; K166-L170 VanDerWaalsContact O-CB 3.25Å; K166-L170 WeakPolarHBondContact O-CB 2.99Å; K166-L170 PolarHBondContact O-N 3.37Å; Q167-L170 PolarHBondContact O-N 3.13Å; R168-L170 VanDerWaalsContact C-N 3.26Å; R168-L170 PolarHBondContact O-N 3.32Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3Å; L170-I173 PolarHBondContact O-N 3.32Å; L170-L174 HydrophobicContact CD1-CD1 4.15Å; L170-L174 HydrophobicContact CD1-CG 4.32Å; L170-L174 HydrophobicContact CG-CD1 4.13Å; L170-L174 VanDerWaalsContact O-CG 3.29Å; L170-L174 WeakPolarHBondContact O-CG 3.5Å; L170-L174 PolarHBondContact O-N 3.03Å; L170-S191 WeakPolarHBondContact CD1-O 3.46Å; L170-A194 HydrophobicContact CD1-CB 3.46Å; L170-A194 VanDerWaalsContact CD1-CB 3.46Å; L170-A195 HydrophobicContact CD1-CB 4.11Å; L170-A195 HydrophobicContact CD2-CB 3.91Å; L170-L198 HydrophobicContact CB-CD2 4.07Å
171L96.8Very high93.3Very high1 Ų123 Ų231%0.00511%0.111CC..Hα-helixtrans-56.4-47.9174.5-175.286.2000110.8I19 Y22 I145 Q167 R168 I173 L174 L175I19-L171 HydrophobicContact CD1-CD2 3.99Å; Y22-L171 HydrophobicContact CD1-CB 4.31Å; Y22-L171 HydrophobicContact CD1-CD2 4.12Å; Y22-L171 HydrophobicContact CD2-CD1 4.4Å; Y22-L171 HydrophobicContact CD2-CD2 3.52Å; Y22-L171 HydrophobicContact CD2-CG 4.45Å; Y22-L171 HydrophobicContact CE1-CB 4.05Å; Y22-L171 HydrophobicContact CE1-CD2 4.39Å; Y22-L171 HydrophobicContact CE2-CD1 3.87Å; Y22-L171 HydrophobicContact CE2-CD2 3.86Å; Y22-L171 HydrophobicContact CE2-CG 4.33Å; Y22-L171 HydrophobicContact CG-CD2 3.65Å; I145-L171 HydrophobicContact CB-CD1 4.46Å; I145-L171 HydrophobicContact CG2-CD1 3.7Å; Q167-L171 PolarHBondContact O-N 2.95Å; R168-L171 WeakPolarHBondContact O-CB 3.2Å; R168-L171 PolarHBondContact O-N 3.38Å; R168-L171 VanDerWaalsContact O-N 3.16Å; L171-I173 VanDerWaalsContact C-N 3.35Å; L171-I173 PolarHBondContact O-N 3.17Å; L171-L174 PolarHBondContact O-N 3.39Å; L171-L175 HydrophobicContact CD2-CD1 4.05Å; L171-L175 HydrophobicContact CG-CD1 3.9Å; L171-L175 HydrophobicContact CG-CG 4.33Å; L171-L175 WeakPolarHBondContact O-CG 3.4Å; L171-L175 PolarHBondContact O-N 3.44Å
172H97.2Very high93.2Very high6 Ų625.6 Ų25.63%0.02813%0.13CC..Hα-helixtrans-57.8-45.1179.9-64.6158.1000112.9E23 Y128 K132 K136 R168 E169 L170 L174 L175 A176 E203E23-H172 IonicContact OE1-NE2 2.8Å; Y128-H172 WeakPolarHBondContact OH-CB 3.49Å; K132-H172 HydrophobicContact CD-CB 3.94Å; K132-H172 VanDerWaalsContact CE-CE1 3.4Å; K132-H172 WeakPolarHBondContact CE-CE1 3.25Å; K132-H172 WeakPolarHBondContact CE-ND1 3.42Å; K132-H172 HydrophobicContact CG-CB 4.11Å; K132-H172 PolarHBondContact NZ-CE1 3.26Å; K132-H172 PolarHBondContact NZ-ND1 3.27Å; K132-H172 VanDerWaalsContact NZ-ND1 3.11Å; K136-H172 WeakPolarHBondContact CE-NE2 3.4Å; R168-H172 VanDerWaalsContact CG-CE1 3.47Å; R168-H172 WeakPolarHBondContact CG-CE1 3.26Å; R168-H172 VanDerWaalsContact O-CG 3.25Å; R168-H172 PolarHBondContact O-N 2.79Å; R168-H172 PolarHBondContact O-ND1 2.87Å; E169-H172 WeakPolarHBondContact O-CB 3.18Å; E169-H172 PolarHBondContact O-N 2.82Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3Å; H172-L174 VanDerWaalsContact C-N 3.31Å; H172-L174 PolarHBondContact O-N 3.31Å; H172-L175 PolarHBondContact O-N 3.14Å; H172-A176 VanDerWaalsContact O-CB 3.31Å; H172-A176 WeakPolarHBondContact O-CB 3.23Å; H172-A176 PolarHBondContact O-N 2.82Å; H172-E203 IonicContact CG-OE1 3.29Å; H172-E203 IonicContact CG-OE2 2.72Å; H172-E203 IonicContact ND1-OE1 3.02Å; H172-E203 IonicContact ND1-OE2 3.8Å; H172-E203 PolarHBondContact ND1-OE2 3.48Å; H172-E203 VanDerWaalsContact ND1-OE2 3.1Å
173I96.9Very high92.6Very high0 Ų030.9 Ų30.90%016%0.156CC..Hα-helixtrans-60.7-43178.7-68.6165.1000110.9E169 L170 L171 A176 Y177 A194 L198 E203 A206 F207 L210E169-I173 WeakPolarHBondContact O-CG1 3.5Å; E169-I173 PolarHBondContact O-N 3.25Å; L170-I173 PolarHBondContact O-N 3.32Å; L171-I173 VanDerWaalsContact C-N 3.35Å; L171-I173 PolarHBondContact O-N 3.17Å; I173-A176 PolarHBondContact O-N 2.92Å; I173-Y177 WeakPolarHBondContact O-CB 3.35Å; I173-Y177 PolarHBondContact O-N 3.26Å; I173-A194 HydrophobicContact CG2-CB 3.96Å; I173-L198 HydrophobicContact CD1-CD1 3.76Å; I173-L198 HydrophobicContact CD1-CD2 4.44Å; I173-E203 HydrophobicContact CD1-CG 4.22Å; I173-E203 HydrophobicContact CG1-CG 4.02Å; I173-A206 HydrophobicContact CD1-CB 3.82Å; I173-F207 HydrophobicContact CG1-CB 4.27Å; I173-F207 HydrophobicContact CG2-CB 4.21Å; I173-F207 HydrophobicContact CG2-CD2 4.33Å; I173-L210 HydrophobicContact CG2-CD2 4.11Å
174L95.5Very high91.9Very high0 Ų032.7 Ų32.70%017%0.168CC..Hα-helixtrans-70.7-41-177.8-62.9173.1000112I145 V149 L170 L171 H172 Y177 E178 Y186 L190 A194I145-L174 HydrophobicContact CD1-CB 4.4Å; I145-L174 HydrophobicContact CG2-CB 3.8Å; I145-L174 HydrophobicContact CG2-CD1 3.65Å; I145-L174 HydrophobicContact CG2-CG 4.38Å; V149-L174 HydrophobicContact CG2-CD1 3.88Å; L170-L174 HydrophobicContact CD1-CD1 4.15Å; L170-L174 HydrophobicContact CD1-CG 4.32Å; L170-L174 HydrophobicContact CG-CD1 4.13Å; L170-L174 VanDerWaalsContact O-CG 3.29Å; L170-L174 WeakPolarHBondContact O-CG 3.5Å; L170-L174 PolarHBondContact O-N 3.03Å; L171-L174 PolarHBondContact O-N 3.39Å; H172-L174 VanDerWaalsContact C-N 3.31Å; H172-L174 PolarHBondContact O-N 3.31Å; L174-Y177 PolarHBondContact O-N 3.38Å; L174-E178 PolarHBondContact O-N 2.91Å; L174-Y186 HydrophobicContact CB-CE2 4.28Å; L174-Y186 HydrophobicContact CD1-CE2 3.99Å; L174-Y186 HydrophobicContact CD2-CE2 4.01Å; L174-Y186 HydrophobicContact CG-CE2 4.29Å; L174-L190 HydrophobicContact CD2-CB 3.86Å; L174-A194 HydrophobicContact CD2-CB 4.1Å
175L95.7Very high91.3Very high0 Ų032.4 Ų32.40%017%0.165CC..Hα-helixtrans-62.7-43.4173.5-68.3173.5000111.7I19 K136 S139 I142 I145 L171 H172 Y177 E178 E179I19-L175 HydrophobicContact CD1-CD1 3.89Å; K136-L175 HydrophobicContact CG-CD1 4.07Å; S139-L175 VanDerWaalsContact CB-CD2 3.43Å; S139-L175 WeakPolarHBondContact OG-CD2 3.24Å; I142-L175 HydrophobicContact CG1-CD2 4.4Å; I145-L175 HydrophobicContact CD1-CD2 3.91Å; L171-L175 HydrophobicContact CD2-CD1 4.05Å; L171-L175 HydrophobicContact CG-CD1 3.9Å; L171-L175 HydrophobicContact CG-CG 4.33Å; L171-L175 WeakPolarHBondContact O-CG 3.4Å; L171-L175 PolarHBondContact O-N 3.44Å; H172-L175 PolarHBondContact O-N 3.14Å; L175-Y177 VanDerWaalsContact C-N 3.28Å; L175-Y177 PolarHBondContact O-N 2.96Å; L175-E178 PolarHBondContact O-N 3.46Å; L175-E179 PolarHBondContact O-N 3.42Å
176A96.1Very high90.9Very high0 Ų030.2 Ų30.20%015%0.151CC..Hα-helixtrans-65.6-32.7176.300000112.1Y128 M131 K132 H172 I173 Y180 F207Y128-A176 HydrophobicContact CD2-CB 3.99Å; Y128-A176 HydrophobicContact CE2-CB 3.65Å; M131-A176 HydrophobicContact CB-CB 4.09Å; K132-A176 HydrophobicContact CB-CB 4.35Å; H172-A176 VanDerWaalsContact O-CB 3.31Å; H172-A176 WeakPolarHBondContact O-CB 3.23Å; H172-A176 PolarHBondContact O-N 2.82Å; I173-A176 PolarHBondContact O-N 2.92Å; A176-Y180 WeakPolarHBondContact O-CB 3.22Å; A176-Y180 PolarHBondContact O-N 3.41Å; A176-F207 HydrophobicContact CB-CD2 3.96Å; A176-F207 HydrophobicContact CB-CE2 3.78Å
177Y93.6Very high90.4Very high8 Ų830.7 Ų30.73%0.03116%0.159CC..Hα-helixtrans-70.8-41.5177.7-174.7-90.4000112.5I173 L174 L175 E179 Y180 N181 L190 L210 V211 L214I173-Y177 WeakPolarHBondContact O-CB 3.35Å; I173-Y177 PolarHBondContact O-N 3.26Å; L174-Y177 PolarHBondContact O-N 3.38Å; L175-Y177 VanDerWaalsContact C-N 3.28Å; L175-Y177 PolarHBondContact O-N 2.96Å; Y177-E179 PolarHBondContact O-N 3.04Å; Y177-Y180 WeakPolarHBondContact O-CB 3.42Å; Y177-Y180 PolarHBondContact O-N 3.19Å; Y177-N181 PolarHBondContact O-N 3.13Å; Y177-L190 HydrophobicContact CD1-CD1 3.61Å; Y177-L190 HydrophobicContact CE1-CD1 3.61Å; Y177-L190 HydrophobicContact CE1-CD2 4.41Å; Y177-L210 HydrophobicContact CD2-CD2 3.85Å; Y177-L210 HydrophobicContact CD2-CG 4.2Å; Y177-L210 HydrophobicContact CE2-CD2 4.48Å; Y177-L210 HydrophobicContact CE2-CG 4.42Å; Y177-L210 HydrophobicContact CG-CD2 4.11Å; Y177-V211 HydrophobicContact CD2-CG2 4.22Å; Y177-V211 HydrophobicContact CE2-CG2 4.41Å; Y177-L214 HydrophobicContact CE1-CD1 4.32Å; Y177-L214 HydrophobicContact CE2-CD1 3.59Å; Y177-L214 VanDerWaalsContact CZ-CD1 3.43Å; Y177-L214 WeakPolarHBondContact OH-CD1 3.46Å
178E92.3Very high89.8Confident23 Ų2335 Ų3511%0.10718%0.175CC..Hα-helixtrans-55.7-41.5174.1-174.2-178.2-17800111.2S139 E140 H141 L174 L175 N181 P182S139-E178 VanDerWaalsContact CB-OE2 3.24Å; S139-E178 WeakPolarHBondContact CB-OE2 3.43Å; S139-E178 PolarHBondContact OG-OE1 3.13Å; S139-E178 PolarHBondContact OG-OE2 3.34Å; E140-E178 PolarHBondContact N-OE1 3.43Å; H141-E178 IonicContact CE1-OE1 3.77Å; H141-E178 IonicContact CG-OE1 2.65Å; H141-E178 IonicContact ND1-OE1 2.72Å; H141-E178 PolarHBondContact ND1-OE1 3.39Å; L174-E178 PolarHBondContact O-N 2.91Å; L175-E178 PolarHBondContact O-N 3.46Å; E178-N181 CarbonylContact O-C 3.49Å; E178-P182 WeakPolarHBondContact O-CA 3.32Å
179E93.3Very high89Confident56 Ų5633 Ų3326%0.26217%0.168SC..Hα-helixtrans-72.4-33.1175178.657-146.100113.1M131 K134 L175 Y177M131-E179 HydrophobicContact CB-CB 4.21Å; M131-E179 HydrophobicContact CB-CG 3.99Å; M131-E179 HydrophobicContact CG-CG 3.93Å; K134-E179 HydrophobicContact CB-CG 4.35Å; K134-E179 HydrophobicContact CD-CG 4.07Å; K134-E179 WeakPolarHBondContact CD-OE1 3.42Å; K134-E179 VanDerWaalsContact CD-OE2 3.3Å; K134-E179 WeakPolarHBondContact CD-OE2 3.38Å; K134-E179 VanDerWaalsContact CE-CD 3.42Å; K134-E179 VanDerWaalsContact CE-OE1 3.27Å; K134-E179 WeakPolarHBondContact CE-OE1 3.38Å; K134-E179 WeakPolarHBondContact CE-OE2 3.37Å; K134-E179 HydrophobicContact CG-CG 4.33Å; K134-E179 VanDerWaalsContact NZ-CD 3.29Å; K134-E179 IonicContact NZ-OE1 3.99Å; K134-E179 PolarHBondContact NZ-OE1 3.27Å; K134-E179 IonicContact NZ-OE2 2.74Å; K134-E179 PolarHBondContact NZ-OE2 3.5Å; L175-E179 PolarHBondContact O-N 3.42Å; Y177-E179 PolarHBondContact O-N 3.04Å
180Y90.9Very high88.5Confident52 Ų5232 Ų3220%0.20416%0.164CC..Hα-helixtrans-68.1-37.6178.8-178.2-92.5000112.4M131 A176 Y177 F207 W208 V211M131-Y180 HydrophobicContact CE-CD2 4.02Å; M131-Y180 HydrophobicContact SD-CD2 3.72Å; M131-Y180 HydrophobicContact SD-CG 4.27Å; A176-Y180 WeakPolarHBondContact O-CB 3.22Å; A176-Y180 PolarHBondContact O-N 3.41Å; Y177-Y180 WeakPolarHBondContact O-CB 3.42Å; Y177-Y180 PolarHBondContact O-N 3.19Å; Y180-F207 HydrophobicContact CD2-CZ 4.17Å; Y180-F207 HydrophobicContact CG-CZ 4.21Å; Y180-W208 HydrophobicContact CE2-CZ3 4.21Å; Y180-V211 HydrophobicContact CD1-CG1 4.29Å; Y180-V211 HydrophobicContact CD1-CG2 4.02Å; Y180-V211 HydrophobicContact CE1-CB 4.44Å; Y180-V211 HydrophobicContact CE1-CG1 3.52Å; Y180-V211 HydrophobicContact CE1-CG2 4.09Å; Y180-V211 HydrophobicContact CE2-CG1 4.25Å; Y180-V211 HydrophobicContact CG-CG2 4.28Å; Y180-V211 VanDerWaalsContact CZ-CG1 3.49Å; Y180-V211 WeakPolarHBondContact OH-CG1 3.31Å
181N85.7Confident88.2Confident45 Ų4532 Ų3224%0.24116%0.164CC..  trans-137.276.8-178.9-166.9-4.7000111.6Y177 E178 E183 V184 G185Y177-N181 PolarHBondContact O-N 3.13Å; E178-N181 CarbonylContact O-C 3.49Å; N181-E183 PolarHBondContact O-N 2.66Å; N181-V184 WeakPolarHBondContact ND2-CG2 3.48Å; N181-V184 PolarHBondContact O-N 3.39Å; N181-G185 PolarHBondContact O-N 2.6Å; N181-G185 VanDerWaalsContact O-N 3.07Å
182P83.2Confident87.8Confident92 Ų9233.4 Ų33.460%0.59717%0.171SC*.THydrogen-bonded Turntrans-63.2-25.6-176.625.4-34.9000113E178 G185E178-P182 WeakPolarHBondContact O-CA 3.32Å; P182-G185 PolarHBondContact O-N 3.17Å
183E78.7Confident87.4Confident146 Ų14633.2 Ų33.268%0.68217%0.17SC*.THydrogen-bonded Turntrans-67.9-36.7179.1-60.3-63.2153.600112.8N181N181-E183 PolarHBondContact O-N 2.66Å
184V76Confident87.2Confident52 Ų5233.2 Ų33.232%0.31517%0.17SC..THydrogen-bonded Turntrans-81.5-32.4174.2173.70000110.3N181N181-V184 WeakPolarHBondContact ND2-CG2 3.48Å; N181-V184 PolarHBondContact O-N 3.39Å
185G77.7Confident87.1Confident8 Ų833.2 Ų33.28%0.08217%0.17CC..  trans59.3-150.2-175.400000112.1N181 P182N181-G185 PolarHBondContact O-N 2.6Å; N181-G185 VanDerWaalsContact O-N 3.07Å; P182-G185 PolarHBondContact O-N 3.17Å
186Y82.5Confident86.8Confident13 Ų1333.5 Ų33.55%0.05117%0.171CC..  trans-98.3125.3179.4178.3-103.2000112.9H141 R144 I145 D148 L174 L190H141-Y186 HydrophobicContact CB-CD1 4.46Å; H141-Y186 HydrophobicContact CB-CG 4.44Å; R144-Y186 HydrophobicContact CB-CE1 4.47Å; R144-Y186 HydrophobicContact CG-CD1 4.2Å; R144-Y186 HydrophobicContact CG-CE1 3.96Å; I145-Y186 HydrophobicContact CD1-CD2 4.12Å; I145-Y186 HydrophobicContact CD1-CG 4.22Å; I145-Y186 HydrophobicContact CG1-CD1 3.85Å; I145-Y186 HydrophobicContact CG1-CD2 3.73Å; I145-Y186 HydrophobicContact CG1-CE1 3.93Å; I145-Y186 HydrophobicContact CG1-CE2 3.81Å; I145-Y186 HydrophobicContact CG1-CG 3.74Å; D148-Y186 WeakPolarHBondContact CB-OH 3.44Å; D148-Y186 WeakPolarHBondContact OD2-CE1 3.34Å; D148-Y186 PolarHBondContact OD2-OH 3.07Å; D148-Y186 VanDerWaalsContact OD2-OH 3.12Å; L174-Y186 HydrophobicContact CB-CE2 4.28Å; L174-Y186 HydrophobicContact CD1-CE2 3.99Å; L174-Y186 HydrophobicContact CD2-CE2 4.01Å; L174-Y186 HydrophobicContact CG-CE2 4.29Å; Y186-L190 HydrophobicContact CD2-CD1 4.3Å; Y186-L190 HydrophobicContact CE2-CB 4.36Å
187C82.5Confident86.7Confident55 Ų5533.5 Ų33.537%0.37217%0.171SC..  trans-112.9137.3167.9-178.90000110.8D189 L190C187-D189 PolarHBondContact O-N 3.41Å; C187-L190 HydrophobicContact CB-CD1 4.39Å; C187-L190 HydrophobicContact CB-CG 4.26Å; C187-L190 WeakPolarHBondContact O-CB 3.46Å; C187-L190 VanDerWaalsContact O-CG 3.31Å; C187-L190 WeakPolarHBondContact O-CG 3.44Å; C187-L190 PolarHBondContact O-N 3.3Å
188R81.7Confident86.8Confident91 Ų9133.2 Ų33.234%0.34317%0.17SC..THydrogen-bonded Turntrans-50.4-35.4179.9175.7176.269.6-166.6-2.1113.6D148 L190 S191 R271D148-R188 WeakPolarHBondContact OD2-CA 3.43Å; D148-R188 WeakPolarHBondContact OD2-CB 3.46Å; D148-R188 WeakPolarHBondContact OD2-CG 3.22Å; R188-L190 PolarHBondContact O-N 2.88Å; R188-S191 PolarHBondContact O-N 3.47Å; R188-R271 VanDerWaalsContact NH2-CZ 3.31Å
189D79.4Confident86.8Confident14 Ų1433.1 Ų33.18%0.07517%0.171CC..Hα-helixtrans-65.8-25.8-177.2-62.8-22.8000111.6C187 S191 H192 I193 G267 I270C187-D189 PolarHBondContact O-N 3.41Å; D189-S191 VanDerWaalsContact C-N 3.3Å; D189-S191 PolarHBondContact O-N 2.95Å; D189-H192 PolarHBondContact O-N 3.09Å; D189-I193 WeakPolarHBondContact O-CG1 3.11Å; D189-I193 PolarHBondContact O-N 3.29Å; D189-G267 WeakPolarHBondContact OD2-CA 3.46Å; D189-I270 HydrophobicContact CB-CD1 4.45Å; D189-I270 HydrophobicContact CB-CG2 4.23Å
190L87.3Confident86.7Confident11 Ų1131.7 Ų31.76%0.05816%0.163CC..Hα-helixtrans-61.3-36.8179.1-62.6176.2000112.6L174 Y177 Y186 C187 R188 H192 I193 A194 L210 L214L174-L190 HydrophobicContact CD2-CB 3.86Å; Y177-L190 HydrophobicContact CD1-CD1 3.61Å; Y177-L190 HydrophobicContact CE1-CD1 3.61Å; Y177-L190 HydrophobicContact CE1-CD2 4.41Å; Y186-L190 HydrophobicContact CD2-CD1 4.3Å; Y186-L190 HydrophobicContact CE2-CB 4.36Å; C187-L190 HydrophobicContact CB-CD1 4.39Å; C187-L190 HydrophobicContact CB-CG 4.26Å; C187-L190 WeakPolarHBondContact O-CB 3.46Å; C187-L190 VanDerWaalsContact O-CG 3.31Å; C187-L190 WeakPolarHBondContact O-CG 3.44Å; C187-L190 PolarHBondContact O-N 3.3Å; R188-L190 PolarHBondContact O-N 2.88Å; L190-H192 VanDerWaalsContact C-N 3.26Å; L190-H192 PolarHBondContact O-N 3.4Å; L190-I193 HydrophobicContact CD2-CD1 4.3Å; L190-I193 PolarHBondContact O-N 3.11Å; L190-A194 WeakPolarHBondContact O-CB 3.38Å; L190-A194 PolarHBondContact O-N 2.7Å; L190-L210 HydrophobicContact CD2-CD1 4.24Å; L190-L214 HydrophobicContact CD2-CD1 3.53Å
191S90.1Very high86.9Confident0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-55.1-45.6179.8-173.50000111.5T152 L170 R188 D189 A195T152-S191 PolarHBondContact OG1-OG 2.74Å; L170-S191 WeakPolarHBondContact CD1-O 3.46Å; R188-S191 PolarHBondContact O-N 3.47Å; D189-S191 VanDerWaalsContact C-N 3.3Å; D189-S191 PolarHBondContact O-N 2.95Å; S191-A195 VanDerWaalsContact O-CB 3.22Å; S191-A195 WeakPolarHBondContact O-CB 3.22Å; S191-A195 PolarHBondContact O-N 3.44Å
192H87.4Confident87.4Confident29 Ų2929.1 Ų29.113%0.13416%0.155CC..Hα-helixtrans-76.1-33.6-176.1-59.592000112.9D189 L190 L196 I270 I274D189-H192 PolarHBondContact O-N 3.09Å; L190-H192 VanDerWaalsContact C-N 3.26Å; L190-H192 PolarHBondContact O-N 3.4Å; H192-L196 PolarHBondContact O-N 3.06Å; H192-L196 VanDerWaalsContact O-N 3.08Å; H192-I270 HydrophobicContact CB-CG2 4.3Å; H192-I274 HydrophobicContact CB-CD1 3.28Å; H192-I274 HydrophobicContact CB-CG1 4.38Å; H192-I274 HydrophobicContact CB-CG2 4.18Å; H192-I274 VanDerWaalsContact CD2-CG2 3.43Å; H192-I274 WeakPolarHBondContact CD2-CG2 3.45Å
193I88.8Confident88Confident3 Ų326.3 Ų26.32%0.01513%0.134CC..Hα-helixtrans-64-51.4173.2-53.6168.6000109.9D189 L190 A195 L196 F197 L210 L213 I270 W286D189-I193 WeakPolarHBondContact O-CG1 3.11Å; D189-I193 PolarHBondContact O-N 3.29Å; L190-I193 HydrophobicContact CD2-CD1 4.3Å; L190-I193 PolarHBondContact O-N 3.11Å; I193-A195 VanDerWaalsContact C-N 3.29Å; I193-A195 PolarHBondContact O-N 3.14Å; I193-L196 WeakPolarHBondContact O-CB 3.27Å; I193-L196 PolarHBondContact O-N 2.91Å; I193-L196 VanDerWaalsContact O-N 3.12Å; I193-F197 HydrophobicContact CG2-CD2 3.94Å; I193-F197 HydrophobicContact CG2-CE2 3.57Å; I193-F197 HydrophobicContact CG2-CZ 4.39Å; I193-F197 PolarHBondContact O-N 2.63Å; I193-F197 VanDerWaalsContact O-N 3.08Å; I193-L210 HydrophobicContact CB-CD1 3.98Å; I193-L210 HydrophobicContact CD1-CD1 4.24Å; I193-L210 HydrophobicContact CG2-CD1 3.67Å; I193-L213 HydrophobicContact CG2-CD2 3.75Å; I193-I270 HydrophobicContact CD1-CD1 3.19Å; I193-I270 HydrophobicContact CD1-CG1 4.19Å; I193-I270 HydrophobicContact CG1-CD1 3.36Å; I193-I270 HydrophobicContact CG1-CG1 3.82Å; I193-I270 HydrophobicContact CG1-CG2 4.02Å; I193-W286 HydrophobicContact CG2-CH2 4.12Å
194A93Very high88.9Confident0 Ų021.6 Ų21.60%011%0.111CC..Hα-helixtrans-60.2-42.6-178.900000110.6L170 I173 L174 L190 L196 F197 L198 L210L170-A194 HydrophobicContact CD1-CB 3.46Å; L170-A194 VanDerWaalsContact CD1-CB 3.46Å; I173-A194 HydrophobicContact CG2-CB 3.96Å; L174-A194 HydrophobicContact CD2-CB 4.1Å; L190-A194 WeakPolarHBondContact O-CB 3.38Å; L190-A194 PolarHBondContact O-N 2.7Å; A194-L196 VanDerWaalsContact C-N 3.31Å; A194-L196 PolarHBondContact O-N 3.26Å; A194-F197 PolarHBondContact O-N 2.95Å; A194-L198 WeakPolarHBondContact O-CB 3.29Å; A194-L198 PolarHBondContact O-N 3.31Å; A194-L210 HydrophobicContact CB-CD2 4.28Å
195A92.7Very high89.8Confident0 Ų020.5 Ų20.50%010%0.104CC..Hα-helixtrans-61.7-37.9176.400000112.7T152 L153 F159 L170 S191 I193 L198 L199T152-A195 HydrophobicContact CG2-CB 3.37Å; L153-A195 HydrophobicContact CD1-CB 3.78Å; L153-A195 HydrophobicContact CG-CB 4.34Å; F159-A195 HydrophobicContact CE1-CB 4.02Å; F159-A195 HydrophobicContact CE2-CB 4.07Å; F159-A195 HydrophobicContact CZ-CB 3.63Å; L170-A195 HydrophobicContact CD1-CB 4.11Å; L170-A195 HydrophobicContact CD2-CB 3.91Å; S191-A195 VanDerWaalsContact O-CB 3.22Å; S191-A195 WeakPolarHBondContact O-CB 3.22Å; S191-A195 PolarHBondContact O-N 3.44Å; I193-A195 VanDerWaalsContact C-N 3.29Å; I193-A195 PolarHBondContact O-N 3.14Å; A195-L198 PolarHBondContact O-N 3.36Å; A195-L199 WeakPolarHBondContact O-CG 3.34Å; A195-L199 PolarHBondContact O-N 2.83Å
196L91.2Very high90.7Very high5 Ų520.1 Ų20.13%0.02610%0.1CC..Hα-helixtrans-64.6-43.9175.9-173.372.6000112W111 H192 I193 A194 L198 L199 L279 L283 W286W111-L196 HydrophobicContact CH2-CD2 4.44Å; W111-L196 HydrophobicContact CH2-CG 4.22Å; W111-L196 HydrophobicContact CZ3-CG 4.47Å; H192-L196 PolarHBondContact O-N 3.06Å; H192-L196 VanDerWaalsContact O-N 3.08Å; I193-L196 WeakPolarHBondContact O-CB 3.27Å; I193-L196 PolarHBondContact O-N 2.91Å; I193-L196 VanDerWaalsContact O-N 3.12Å; A194-L196 VanDerWaalsContact C-N 3.31Å; A194-L196 PolarHBondContact O-N 3.26Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L199 HydrophobicContact CD1-CD1 4.3Å; L196-L199 WeakPolarHBondContact O-CB 3.47Å; L196-L199 PolarHBondContact O-N 3.24Å; L196-L279 HydrophobicContact CD1-CD1 4.11Å; L196-L283 HydrophobicContact CD1-CD2 3.63Å; L196-L283 HydrophobicContact CG-CD2 4.45Å; L196-W286 HydrophobicContact CD2-CB 4.37Å; L196-W286 HydrophobicContact CD2-CD2 3.63Å; L196-W286 VanDerWaalsContact CD2-CE2 3.46Å; L196-W286 HydrophobicContact CD2-CE3 4.46Å; L196-W286 HydrophobicContact CD2-CG 3.54Å; L196-W286 HydrophobicContact CD2-CZ2 4.17Å
197F93.5Very high91.3Very high1 Ų119.5 Ų19.50%0.00410%0.098CC..Hα-helixtrans-62.6-42.1174.5-73.9-46.1000111.5W111 L115 I193 A194 L199 Y200 L201 A206 A209 L210 L213W111-F197 AromaticContact CE3-CD1 3.75Å; W111-F197 HydrophobicContact CE3-CD1 3.75Å; W111-F197 HydrophobicContact CE3-CE1 4.12Å; W111-F197 AromaticContact CZ3-CD1 3.95Å; W111-F197 HydrophobicContact CZ3-CD1 3.95Å; W111-F197 HydrophobicContact CZ3-CE1 4.45Å; L115-F197 HydrophobicContact CD1-CE1 3.64Å; L115-F197 HydrophobicContact CD1-CZ 3.67Å; I193-F197 HydrophobicContact CG2-CD2 3.94Å; I193-F197 HydrophobicContact CG2-CE2 3.57Å; I193-F197 HydrophobicContact CG2-CZ 4.39Å; I193-F197 PolarHBondContact O-N 2.63Å; I193-F197 VanDerWaalsContact O-N 3.08Å; A194-F197 PolarHBondContact O-N 2.95Å; F197-L199 PolarHBondContact O-N 3.5Å; F197-L199 VanDerWaalsContact O-N 3.11Å; F197-Y200 PolarHBondContact O-N 3.06Å; F197-L201 HydrophobicContact CB-CD1 4.25Å; F197-L201 HydrophobicContact CD1-CD1 4.15Å; F197-L201 HydrophobicContact CG-CD1 4.46Å; F197-L201 WeakPolarHBondContact O-CB 3.39Å; F197-L201 PolarHBondContact O-N 3.17Å; F197-A206 HydrophobicContact CB-CB 3.89Å; F197-A209 HydrophobicContact CD1-CB 4.04Å; F197-A209 HydrophobicContact CD2-CB 3.95Å; F197-A209 HydrophobicContact CE1-CB 4.15Å; F197-A209 HydrophobicContact CE2-CB 4.04Å; F197-A209 HydrophobicContact CG-CB 3.96Å; F197-A209 HydrophobicContact CZ-CB 4.15Å; F197-L210 HydrophobicContact CD2-CB 4.45Å; F197-L213 HydrophobicContact CE2-CB 4.48Å; F197-L213 HydrophobicContact CE2-CD2 4.05Å; F197-L213 HydrophobicContact CZ-CB 4.46Å; F197-L213 HydrophobicContact CZ-CD2 4.04Å
198L94.5Very high92Very high2 Ų216.9 Ų16.91%0.018%0.08CC..Hα-helixtrans-64.6-15.5-179.2-16063.5000114.1F159 K166 E169 L170 I173 A194 A195 L196 Y200 A206F159-L198 HydrophobicContact CE1-CD2 4.22Å; F159-L198 HydrophobicContact CZ-CB 4.33Å; F159-L198 HydrophobicContact CZ-CD2 4.06Å; K166-L198 HydrophobicContact CD-CD2 4.19Å; K166-L198 HydrophobicContact CD-CG 4.12Å; K166-L198 WeakPolarHBondContact O-CD2 3.35Å; E169-L198 HydrophobicContact CB-CD1 4.15Å; E169-L198 HydrophobicContact CB-CD2 3.67Å; E169-L198 HydrophobicContact CB-CG 4.43Å; E169-L198 VanDerWaalsContact OE2-CD1 3.24Å; E169-L198 WeakPolarHBondContact OE2-CD1 3.48Å; L170-L198 HydrophobicContact CB-CD2 4.07Å; I173-L198 HydrophobicContact CD1-CD1 3.76Å; I173-L198 HydrophobicContact CD1-CD2 4.44Å; A194-L198 WeakPolarHBondContact O-CB 3.29Å; A194-L198 PolarHBondContact O-N 3.31Å; A195-L198 PolarHBondContact O-N 3.36Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L198-Y200 VanDerWaalsContact C-N 3.28Å; L198-A206 HydrophobicContact CD1-CB 4.07Å
199L91.9Very high92.6Very high21 Ų2112.6 Ų12.611%0.116%0.064CC..THydrogen-bonded Turntrans-68.2-25.9169.8-66.8-176.9000113.1L153 H156 F158 F159 A195 L196 F197 L279L153-L199 HydrophobicContact CD1-CD1 4.19Å; L153-L199 HydrophobicContact CD1-CG 4.46Å; H156-L199 WeakPolarHBondContact CE1-CD2 3.32Å; F158-L199 HydrophobicContact CD2-CD2 3.9Å; F159-L199 HydrophobicContact CD2-CD2 4.29Å; F159-L199 HydrophobicContact CE2-CD2 3.67Å; F159-L199 HydrophobicContact CE2-CG 4.34Å; A195-L199 WeakPolarHBondContact O-CG 3.34Å; A195-L199 PolarHBondContact O-N 2.83Å; L196-L199 HydrophobicContact CD1-CD1 4.3Å; L196-L199 WeakPolarHBondContact O-CB 3.47Å; L196-L199 PolarHBondContact O-N 3.24Å; F197-L199 PolarHBondContact O-N 3.5Å; F197-L199 VanDerWaalsContact O-N 3.11Å; L199-L279 HydrophobicContact CD1-CD1 4.37Å; L199-L279 HydrophobicContact CD1-CD2 4.32Å
200Y93.2Very high93.2Very high26 Ų2611.9 Ų11.910%0.1026%0.06CC..THydrogen-bonded Turntrans-127.6-13.5-170.9-60.5-75000114.6M104 R107 G108 W111 F197 L198 L283M104-Y200 HydrophobicContact CG-CE1 3.97Å; M104-Y200 HydrophobicContact SD-CE1 3.33Å; M104-Y200 WeakPolarHBondContact SD-CE1 3.25Å; M104-Y200 VanDerWaalsContact SD-CZ 3.59Å; M104-Y200 PolarHBondContact SD-OH 3.38Å; R107-Y200 HydrophobicContact CB-CD1 3.71Å; R107-Y200 HydrophobicContact CB-CE1 4.23Å; R107-Y200 HydrophobicContact CB-CG 3.9Å; G108-Y200 VanDerWaalsContact CA-O 3.28Å; G108-Y200 WeakPolarHBondContact CA-O 3.19Å; W111-Y200 HydrophobicContact CE3-CD2 4.24Å; W111-Y200 AromaticContact CH2-CD2 3.61Å; W111-Y200 HydrophobicContact CH2-CD2 3.61Å; W111-Y200 AromaticContact CH2-CE2 3.95Å; W111-Y200 HydrophobicContact CH2-CE2 3.95Å; W111-Y200 HydrophobicContact CH2-CG 4.48Å; W111-Y200 AromaticContact CZ3-CD2 3.44Å; W111-Y200 HydrophobicContact CZ3-CD2 3.44Å; W111-Y200 VanDerWaalsContact CZ3-CD2 3.44Å; W111-Y200 HydrophobicContact CZ3-CE2 4.22Å; W111-Y200 HydrophobicContact CZ3-CG 4.15Å; F197-Y200 PolarHBondContact O-N 3.06Å; L198-Y200 VanDerWaalsContact C-N 3.28Å; Y200-L283 HydrophobicContact CD2-CD2 4.35Å; Y200-L283 HydrophobicContact CE2-CD1 4.46Å; Y200-L283 HydrophobicContact CE2-CD2 3.34Å; Y200-L283 WeakPolarHBondContact OH-CD1 3.08Å
201L94.4Very high93.4Very high5 Ų511.5 Ų11.53%0.0266%0.058CC..SBendtrans-123.9148.5-176.4-62.4176.4000109.9G108 S112 F197 D205 A206 A209G108-L201 WeakPolarHBondContact O-CD2 3.15Å; S112-L201 WeakPolarHBondContact OG-CD2 3.4Å; F197-L201 HydrophobicContact CB-CD1 4.25Å; F197-L201 HydrophobicContact CD1-CD1 4.15Å; F197-L201 HydrophobicContact CG-CD1 4.46Å; F197-L201 WeakPolarHBondContact O-CB 3.39Å; F197-L201 PolarHBondContact O-N 3.17Å; L201-D205 HydrophobicContact CB-CB 4.18Å; L201-A206 HydrophobicContact CB-CB 4.09Å; L201-A209 HydrophobicContact CD1-CB 3.74Å
202P95Very high93.4Very high38 Ų3813.1 Ų13.125%0.2477%0.066CC..  trans-65.7163.6168.930.3-34.8000111.2E204 D205 A206 P467P202-E204 PolarHBondContact O-N 2.91Å; P202-D205 HydrophobicContact CG-CB 3.76Å; P202-D205 VanDerWaalsContact CG-OD2 3.23Å; P202-D205 WeakPolarHBondContact CG-OD2 3.33Å; P202-D205 PolarHBondContact O-N 3.37Å; P202-D205 VanDerWaalsContact O-N 3.16Å; P202-A206 WeakPolarHBondContact O-CB 3.41Å; P202-A206 PolarHBondContact O-N 2.91Å; P202-P467 HydrophobicContact CG-CG 4.24Å
203E96.4Very high93.5Very high33 Ų3311.7 Ų11.715%0.1546%0.059CC..Hα-helixtrans-48.1-53.2-172.7-169.6-171.2112.900112.8Y128 K132 E169 H172 I173 A206 F207Y128-E203 HydrophobicContact CE1-CG 4.23Å; Y128-E203 WeakPolarHBondContact CE1-OE1 3.48Å; Y128-E203 VanDerWaalsContact CZ-OE1 3.26Å; Y128-E203 VanDerWaalsContact OH-CG 3.25Å; Y128-E203 WeakPolarHBondContact OH-CG 3.37Å; Y128-E203 PolarHBondContact OH-OE1 2.91Å; K132-E203 IonicContact NZ-OE1 2.69Å; K132-E203 PolarHBondContact NZ-OE1 2.91Å; K132-E203 IonicContact NZ-OE2 3.61Å; E169-E203 WeakPolarHBondContact CA-OE2 3.25Å; E169-E203 HydrophobicContact CB-CB 4.41Å; E169-E203 HydrophobicContact CB-CG 3.99Å; E169-E203 HydrophobicContact CG-CB 4.21Å; E169-E203 HydrophobicContact CG-CG 4.14Å; E169-E203 VanDerWaalsContact CG-OE2 3.31Å; E169-E203 WeakPolarHBondContact CG-OE2 3.3Å; H172-E203 IonicContact CG-OE1 3.29Å; H172-E203 IonicContact CG-OE2 2.72Å; H172-E203 IonicContact ND1-OE1 3.02Å; H172-E203 IonicContact ND1-OE2 3.8Å; H172-E203 PolarHBondContact ND1-OE2 3.48Å; H172-E203 VanDerWaalsContact ND1-OE2 3.1Å; I173-E203 HydrophobicContact CD1-CG 4.22Å; I173-E203 HydrophobicContact CG1-CG 4.02Å; E203-A206 PolarHBondContact O-N 3.43Å; E203-F207 PolarHBondContact O-N 3.31Å; E203-F207 VanDerWaalsContact O-N 3.1Å
204E96.9Very high93.3Very high46 Ų4612.1 Ų12.122%0.2156%0.061CC..Hα-helixtrans-67.5-41.6-178.2-176-177.8-163.600113K121 Y128 P202 A206 F207 W208K121-E204 HydrophobicContact CD-CG 4.47Å; K121-E204 VanDerWaalsContact CE-OE2 3.26Å; K121-E204 WeakPolarHBondContact CE-OE2 3.41Å; K121-E204 IonicContact NZ-OE2 3.1Å; K121-E204 PolarHBondContact NZ-OE2 2.9Å; Y128-E204 HydrophobicContact CD1-CB 3.93Å; Y128-E204 HydrophobicContact CD1-CG 3.92Å; Y128-E204 HydrophobicContact CE1-CB 4.33Å; Y128-E204 HydrophobicContact CG-CB 4.41Å; Y128-E204 HydrophobicContact CG-CG 4Å; P202-E204 PolarHBondContact O-N 2.91Å; E204-A206 VanDerWaalsContact C-N 3.31Å; E204-A206 PolarHBondContact O-N 3.32Å; E204-F207 WeakPolarHBondContact O-CB 3.41Å; E204-F207 PolarHBondContact O-N 3.11Å; E204-W208 PolarHBondContact O-N 3.12Å
205D95.9Very high92.7Very high30 Ų3014 Ų1416%0.168%0.077CC..Hα-helixtrans-68.6-35179.7-67-3000110.8K121 L201 P202 F207 W208 A209K121-D205 IonicContact NZ-OD1 3.35Å; L201-D205 HydrophobicContact CB-CB 4.18Å; P202-D205 HydrophobicContact CG-CB 3.76Å; P202-D205 VanDerWaalsContact CG-OD2 3.23Å; P202-D205 WeakPolarHBondContact CG-OD2 3.33Å; P202-D205 PolarHBondContact O-N 3.37Å; P202-D205 VanDerWaalsContact O-N 3.16Å; D205-F207 VanDerWaalsContact C-N 3.33Å; D205-W208 PolarHBondContact O-N 3.08Å; D205-A209 VanDerWaalsContact O-CB 3.27Å; D205-A209 WeakPolarHBondContact O-CB 3.46Å; D205-A209 PolarHBondContact O-N 3.38Å
206A96.4Very high91.7Very high0 Ų015.4 Ų15.40%09%0.087CC..Hα-helixtrans-64.1-38.2173.700000111.7I173 F197 L198 L201 P202 E203 E204 A209 L210I173-A206 HydrophobicContact CD1-CB 3.82Å; F197-A206 HydrophobicContact CB-CB 3.89Å; L198-A206 HydrophobicContact CD1-CB 4.07Å; L201-A206 HydrophobicContact CB-CB 4.09Å; P202-A206 WeakPolarHBondContact O-CB 3.41Å; P202-A206 PolarHBondContact O-N 2.91Å; E203-A206 PolarHBondContact O-N 3.43Å; E204-A206 VanDerWaalsContact C-N 3.31Å; E204-A206 PolarHBondContact O-N 3.32Å; A206-A209 PolarHBondContact O-N 2.89Å; A206-L210 PolarHBondContact O-N 3.26Å
207F96.3Very high90.4Very high0 Ų023 Ų230%012%0.122CC..Hα-helixtrans-61-50.4171.5169.2-95.3000111.7Y128 M131 I173 A176 Y180 E203 E204 D205 A209 L210 V211Y128-F207 HydrophobicContact CD2-CB 3.75Å; Y128-F207 AromaticContact CD2-CD1 3.49Å; Y128-F207 HydrophobicContact CD2-CD1 3.49Å; Y128-F207 VanDerWaalsContact CD2-CD1 3.49Å; Y128-F207 AromaticContact CD2-CD2 3.89Å; Y128-F207 HydrophobicContact CD2-CD2 3.89Å; Y128-F207 HydrophobicContact CD2-CE1 4.07Å; Y128-F207 HydrophobicContact CD2-CE2 4.41Å; Y128-F207 AromaticContact CD2-CG 3.4Å; Y128-F207 HydrophobicContact CD2-CG 3.4Å; Y128-F207 HydrophobicContact CE2-CB 3.63Å; Y128-F207 HydrophobicContact CE2-CD1 4.2Å; Y128-F207 AromaticContact CE2-CD2 3.87Å; Y128-F207 HydrophobicContact CE2-CD2 3.87Å; Y128-F207 AromaticContact CE2-CG 3.62Å; Y128-F207 HydrophobicContact CE2-CG 3.62Å; Y128-F207 HydrophobicContact CG-CD1 4.29Å; Y128-F207 HydrophobicContact CG-CG 4.49Å; M131-F207 HydrophobicContact CE-CE1 3.51Å; M131-F207 HydrophobicContact CE-CE2 4.24Å; M131-F207 HydrophobicContact CE-CZ 3.26Å; M131-F207 HydrophobicContact SD-CZ 4.44Å; I173-F207 HydrophobicContact CG1-CB 4.27Å; I173-F207 HydrophobicContact CG2-CB 4.21Å; I173-F207 HydrophobicContact CG2-CD2 4.33Å; A176-F207 HydrophobicContact CB-CD2 3.96Å; A176-F207 HydrophobicContact CB-CE2 3.78Å; Y180-F207 HydrophobicContact CD2-CZ 4.17Å; Y180-F207 HydrophobicContact CG-CZ 4.21Å; E203-F207 PolarHBondContact O-N 3.31Å; E203-F207 VanDerWaalsContact O-N 3.1Å; E204-F207 WeakPolarHBondContact O-CB 3.41Å; E204-F207 PolarHBondContact O-N 3.11Å; D205-F207 VanDerWaalsContact C-N 3.33Å; F207-A209 VanDerWaalsContact C-N 3.31Å; F207-A209 PolarHBondContact O-N 2.91Å; F207-L210 WeakPolarHBondContact O-CB 3.24Å; F207-L210 PolarHBondContact O-N 3.25Å; F207-L210 VanDerWaalsContact O-N 3.17Å; F207-V211 HydrophobicContact CD1-CG2 4.41Å; F207-V211 HydrophobicContact CE1-CG2 3.87Å; F207-V211 HydrophobicContact CE2-CG2 3.99Å; F207-V211 HydrophobicContact CZ-CG2 3.62Å; F207-V211 WeakPolarHBondContact O-CG2 3.2Å; F207-V211 PolarHBondContact O-N 3.36Å
208W95.6Very high89Confident0 Ų028.8 Ų28.80%014%0.144CC..Hα-helixtrans-65.8-34.1179-70.4118.8000112.7T117 M120 N124 R127 Y180 E204 D205 L210 V211 Q212T117-W208 HydrophobicContact CG2-CB 4.37Å; M120-W208 HydrophobicContact CB-CB 4.23Å; M120-W208 HydrophobicContact CB-CD2 3.89Å; M120-W208 HydrophobicContact CB-CE3 3.75Å; M120-W208 HydrophobicContact CB-CG 4.11Å; M120-W208 HydrophobicContact CB-CZ3 4.44Å; M120-W208 HydrophobicContact CE-CE3 3.87Å; M120-W208 HydrophobicContact CE-CZ3 3.72Å; M120-W208 HydrophobicContact CG-CE3 4.46Å; N124-W208 HydrophobicContact CB-CH2 3.41Å; N124-W208 VanDerWaalsContact CB-CH2 3.41Å; N124-W208 HydrophobicContact CB-CZ2 3.44Å; N124-W208 VanDerWaalsContact CB-CZ2 3.44Å; N124-W208 HydrophobicContact CB-CZ3 4.46Å; R127-W208 HydrophobicContact CB-CZ2 4.49Å; Y180-W208 HydrophobicContact CE2-CZ3 4.21Å; E204-W208 PolarHBondContact O-N 3.12Å; D205-W208 PolarHBondContact O-N 3.08Å; W208-L210 VanDerWaalsContact C-N 3.35Å; W208-V211 HydrophobicContact CE3-CB 4.32Å; W208-V211 HydrophobicContact CE3-CG1 4.36Å; W208-V211 HydrophobicContact CE3-CG2 4.45Å; W208-V211 HydrophobicContact CZ3-CG1 4.45Å; W208-V211 PolarHBondContact O-N 3.39Å; W208-Q212 VanDerWaalsContact O-CB 3.31Å; W208-Q212 WeakPolarHBondContact O-CB 3.33Å; W208-Q212 WeakPolarHBondContact O-CG 3.48Å; W208-Q212 PolarHBondContact O-N 3.24Å
209A93.9Very high87.8Confident0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-60.1-44.9172.200000111.4L115 T117 F197 L201 D205 A206 F207 Q212 L213L115-A209 HydrophobicContact CD1-CB 3.62Å; T117-A209 HydrophobicContact CG2-CB 3.83Å; F197-A209 HydrophobicContact CD1-CB 4.04Å; F197-A209 HydrophobicContact CD2-CB 3.95Å; F197-A209 HydrophobicContact CE1-CB 4.15Å; F197-A209 HydrophobicContact CE2-CB 4.04Å; F197-A209 HydrophobicContact CG-CB 3.96Å; F197-A209 HydrophobicContact CZ-CB 4.15Å; L201-A209 HydrophobicContact CD1-CB 3.74Å; D205-A209 VanDerWaalsContact O-CB 3.27Å; D205-A209 WeakPolarHBondContact O-CB 3.46Å; D205-A209 PolarHBondContact O-N 3.38Å; A206-A209 PolarHBondContact O-N 2.89Å; F207-A209 VanDerWaalsContact C-N 3.31Å; F207-A209 PolarHBondContact O-N 2.91Å; A209-Q212 PolarHBondContact O-N 3.16Å; A209-L213 VanDerWaalsContact O-CB 3.3Å; A209-L213 WeakPolarHBondContact O-CB 3.2Å; A209-L213 PolarHBondContact O-N 2.9Å
210L92.1Very high86.1Confident0 Ų028.5 Ų28.50%014%0.143CC..Hα-helixtrans-61.9-48.4176-177.767.7000111.8I173 Y177 L190 I193 A194 F197 A206 F207 W208 Q212 L213 L214I173-L210 HydrophobicContact CG2-CD2 4.11Å; Y177-L210 HydrophobicContact CD2-CD2 3.85Å; Y177-L210 HydrophobicContact CD2-CG 4.2Å; Y177-L210 HydrophobicContact CE2-CD2 4.48Å; Y177-L210 HydrophobicContact CE2-CG 4.42Å; Y177-L210 HydrophobicContact CG-CD2 4.11Å; L190-L210 HydrophobicContact CD2-CD1 4.24Å; I193-L210 HydrophobicContact CB-CD1 3.98Å; I193-L210 HydrophobicContact CD1-CD1 4.24Å; I193-L210 HydrophobicContact CG2-CD1 3.67Å; A194-L210 HydrophobicContact CB-CD2 4.28Å; F197-L210 HydrophobicContact CD2-CB 4.45Å; A206-L210 PolarHBondContact O-N 3.26Å; F207-L210 WeakPolarHBondContact O-CB 3.24Å; F207-L210 PolarHBondContact O-N 3.25Å; F207-L210 VanDerWaalsContact O-N 3.17Å; W208-L210 VanDerWaalsContact C-N 3.35Å; L210-Q212 VanDerWaalsContact C-N 3.34Å; L210-Q212 PolarHBondContact O-N 2.92Å; L210-L213 PolarHBondContact O-N 3.41Å; L210-L214 HydrophobicContact CD1-CD1 3.89Å; L210-L214 HydrophobicContact CG-CD1 4.02Å; L210-L214 WeakPolarHBondContact O-CG 3.38Å; L210-L214 PolarHBondContact O-N 2.67Å; L210-L214 VanDerWaalsContact O-N 3.15Å
211V91.9Very high84Confident2 Ų228.5 Ų28.51%0.01214%0.144CC..Hα-helixtrans-57.4-48.7177.4168.80000110.7M120 Y177 Y180 F207 W208 L213 L214 A215M120-V211 HydrophobicContact CE-CG1 4.41Å; Y177-V211 HydrophobicContact CD2-CG2 4.22Å; Y177-V211 HydrophobicContact CE2-CG2 4.41Å; Y180-V211 HydrophobicContact CD1-CG1 4.29Å; Y180-V211 HydrophobicContact CD1-CG2 4.02Å; Y180-V211 HydrophobicContact CE1-CB 4.44Å; Y180-V211 HydrophobicContact CE1-CG1 3.52Å; Y180-V211 HydrophobicContact CE1-CG2 4.09Å; Y180-V211 HydrophobicContact CE2-CG1 4.25Å; Y180-V211 HydrophobicContact CG-CG2 4.28Å; Y180-V211 VanDerWaalsContact CZ-CG1 3.49Å; Y180-V211 WeakPolarHBondContact OH-CG1 3.31Å; F207-V211 HydrophobicContact CD1-CG2 4.41Å; F207-V211 HydrophobicContact CE1-CG2 3.87Å; F207-V211 HydrophobicContact CE2-CG2 3.99Å; F207-V211 HydrophobicContact CZ-CG2 3.62Å; F207-V211 WeakPolarHBondContact O-CG2 3.2Å; F207-V211 PolarHBondContact O-N 3.36Å; W208-V211 HydrophobicContact CE3-CB 4.32Å; W208-V211 HydrophobicContact CE3-CG1 4.36Å; W208-V211 HydrophobicContact CE3-CG2 4.45Å; W208-V211 HydrophobicContact CZ3-CG1 4.45Å; W208-V211 PolarHBondContact O-N 3.39Å; V211-L213 PolarHBondContact O-N 3.08Å; V211-L214 PolarHBondContact O-N 2.91Å; V211-A215 WeakPolarHBondContact O-CB 3.15Å; V211-A215 PolarHBondContact O-N 3.17Å
212Q91.4Very high81.4Confident34 Ų3437.2 Ų37.216%0.15919%0.185CC..Hα-helixtrans-66.7-37.5-178.5-73.3-76.790.900112.5L115 M120 W208 A209 L210 L214 S216L115-Q212 HydrophobicContact CB-CB 4.24Å; L115-Q212 HydrophobicContact CD2-CB 4.44Å; L115-Q212 VanDerWaalsContact O-CB 3.31Å; L115-Q212 WeakPolarHBondContact O-CB 3.46Å; L115-Q212 WeakPolarHBondContact O-CG 3.36Å; L115-Q212 PolarHBondContact O-NE2 3.41Å; M120-Q212 HydrophobicContact CG-CG 3.55Å; M120-Q212 HydrophobicContact SD-CG 4.49Å; M120-Q212 PolarHBondContact SD-OE1 3.02Å; W208-Q212 VanDerWaalsContact O-CB 3.31Å; W208-Q212 WeakPolarHBondContact O-CB 3.33Å; W208-Q212 WeakPolarHBondContact O-CG 3.48Å; W208-Q212 PolarHBondContact O-N 3.24Å; A209-Q212 PolarHBondContact O-N 3.16Å; L210-Q212 VanDerWaalsContact C-N 3.34Å; L210-Q212 PolarHBondContact O-N 2.92Å; Q212-L214 VanDerWaalsContact C-N 3.3Å; Q212-L214 PolarHBondContact O-N 3.35Å; Q212-S216 WeakPolarHBondContact O-CB 3.49Å; Q212-S216 PolarHBondContact O-N 3.38Å
213L88.3Confident78.7Confident0 Ų038.6 Ų38.60%021%0.207CC..Hα-helixtrans-60.2-42.3175.8-171.273.4000111.7L115 I193 F197 A209 L210 V211 H219 W286 Y289 L290L115-L213 HydrophobicContact CD2-CB 4.45Å; L115-L213 HydrophobicContact CD2-CD1 4.24Å; I193-L213 HydrophobicContact CG2-CD2 3.75Å; F197-L213 HydrophobicContact CE2-CB 4.48Å; F197-L213 HydrophobicContact CE2-CD2 4.05Å; F197-L213 HydrophobicContact CZ-CB 4.46Å; F197-L213 HydrophobicContact CZ-CD2 4.04Å; A209-L213 VanDerWaalsContact O-CB 3.3Å; A209-L213 WeakPolarHBondContact O-CB 3.2Å; A209-L213 PolarHBondContact O-N 2.9Å; L210-L213 PolarHBondContact O-N 3.41Å; V211-L213 PolarHBondContact O-N 3.08Å; L213-H219 HydrophobicContact CD1-CB 4.08Å; L213-W286 HydrophobicContact CD1-CZ3 4.28Å; L213-W286 HydrophobicContact CD2-CH2 3.9Å; L213-W286 HydrophobicContact CD2-CZ3 3.78Å; L213-Y289 HydrophobicContact CD1-CE1 3.9Å; L213-L290 HydrophobicContact CD1-CD2 3.82Å
214L84.3Confident75.8Confident11 Ų1140.1 Ų40.16%0.05821%0.213CC..Hα-helixtrans-83.1-33-175.2-62.8170.6000112.3Y177 L190 L210 V211 Q212 S220 L266Y177-L214 HydrophobicContact CE1-CD1 4.32Å; Y177-L214 HydrophobicContact CE2-CD1 3.59Å; Y177-L214 VanDerWaalsContact CZ-CD1 3.43Å; Y177-L214 WeakPolarHBondContact OH-CD1 3.46Å; L190-L214 HydrophobicContact CD2-CD1 3.53Å; L210-L214 HydrophobicContact CD1-CD1 3.89Å; L210-L214 HydrophobicContact CG-CD1 4.02Å; L210-L214 WeakPolarHBondContact O-CG 3.38Å; L210-L214 PolarHBondContact O-N 2.67Å; L210-L214 VanDerWaalsContact O-N 3.15Å; V211-L214 PolarHBondContact O-N 2.91Å; Q212-L214 VanDerWaalsContact C-N 3.3Å; Q212-L214 PolarHBondContact O-N 3.35Å; L214-S220 PolarHBondContact O-OG 2.88Å; L214-S220 VanDerWaalsContact O-OG 3.06Å; L214-L266 HydrophobicContact CD2-CD2 4Å
215A81.2Confident72.8Confident40 Ų4042.5 Ų42.533%0.33122%0.224SC..Hα-helixtrans-83.1-34.5-179.900000113.8V211 E217 H225V211-A215 WeakPolarHBondContact O-CB 3.15Å; V211-A215 PolarHBondContact O-N 3.17Å; A215-E217 PolarHBondContact O-N 3.35Å; A215-H225 PolarHBondContact O-NE2 3.1Å
216S71Confident69.6Low30 Ų3045.1 Ų45.121%0.2125%0.245CC..  trans-66.6127.9-168.3-179.50000112.9Q212 R218 H219 S220Q212-S216 WeakPolarHBondContact O-CB 3.49Å; Q212-S216 PolarHBondContact O-N 3.38Å; S216-R218 PolarHBondContact O-N 3.11Å; S216-R218 WeakPolarHBondContact OG-CB 3.23Å; S216-R218 PolarHBondContact OG-N 3.26Å; S216-H219 PolarHBondContact O-N 3.03Å; S216-S220 WeakPolarHBondContact O-CA 3.23Å; S216-S220 WeakPolarHBondContact O-CB 3.3Å; S216-S220 PolarHBondContact O-N 3.11Å
217E64.2Low66.7Low164 Ų16451 Ų5177%0.76628%0.283SS*.THydrogen-bonded Turntrans-55.6-21.3169.8-65.6-177.8175.500113.4A215A215-E217 PolarHBondContact O-N 3.35Å
218R65Low63.6Low123 Ų12357.4 Ų57.446%0.46432%0.317SS..THydrogen-bonded Turntrans-73.6-28.6177.4-66.8-176.5169.9-171.2-8.2113.4S216 G293 E294S216-R218 PolarHBondContact O-N 3.11Å; S216-R218 WeakPolarHBondContact OG-CB 3.23Å; S216-R218 PolarHBondContact OG-N 3.26Å; R218-G293 CarbonylContact O-C 3.47Å; R218-G293 VanDerWaalsContact O-CA 3.27Å; R218-G293 WeakPolarHBondContact O-CA 3.36Å; R218-E294 PolarHBondContact O-N 3.35Å
219H68.5Low60.5Low7 Ų761.9 Ų61.93%0.03236%0.363CS..THydrogen-bonded Turntrans-121.4-17.2-172.3-56106.3000112.4L213 S216 Y289 L290L213-H219 HydrophobicContact CD1-CB 4.08Å; S216-H219 PolarHBondContact O-N 3.03Å; H219-Y289 PolarHBondContact O-OH 2.83Å; H219-L290 PolarHBondContact NE2-O 2.93Å
220S56.4Low57.4Low9 Ų964.1 Ų64.16%0.06339%0.386CS..  trans-85.4128.3-176.9-162.20000110.2L214 S216L214-S220 PolarHBondContact O-OG 2.88Å; L214-S220 VanDerWaalsContact O-OG 3.06Å; S216-S220 WeakPolarHBondContact O-CA 3.23Å; S216-S220 WeakPolarHBondContact O-CB 3.3Å; S216-S220 PolarHBondContact O-N 3.11Å
221L48Very low54.3Low26 Ų2669.4 Ų69.414%0.13642%0.419CS..  trans-73.6138.9163.7-61.9150.5000106.8G223 F224 P265 L266 E294 L297L221-G223 PolarHBondContact O-N 3.35Å; L221-F224 PolarHBondContact O-N 3.44Å; L221-P265 HydrophobicContact CD1-CB 3.71Å; L221-P265 HydrophobicContact CD1-CG 3.93Å; L221-P265 HydrophobicContact CD2-CB 4.33Å; L221-P265 HydrophobicContact CD2-CG 4.37Å; L221-L266 HydrophobicContact CD1-CB 3.87Å; L221-E294 HydrophobicContact CD2-CG 3.94Å; L221-E294 WeakPolarHBondContact CD2-OE1 3.35Å; L221-L297 HydrophobicContact CD1-CD2 3.58Å; L221-L297 HydrophobicContact CD2-CD2 3.67Å; L221-L297 HydrophobicContact CG-CD2 3.93Å
222Q40.4Very low51.7Low188 Ų18873.2 Ų73.288%0.87944%0.442SS*.THydrogen-bonded Turntrans-51.72.2178.4-75.3179.7-17.200116.5
223G38.8Very low49Very low68 Ų6876.6 Ų76.670%0.70146%0.458SS*.THydrogen-bonded Turntrans-97.8-3.717800000116.7L221L221-G223 PolarHBondContact O-N 3.35Å
224F35.5Very low46.3Very low64 Ų6478.9 Ų78.928%0.28148%0.482SS..SBendtrans-93.9-9.5172.9-79.6-75.3000113.8L221 S264 L266L221-F224 PolarHBondContact O-N 3.44Å; F224-S264 WeakPolarHBondContact CE2-OG 3.45Å; F224-S264 WeakPolarHBondContact CZ-OG 2.95Å; F224-L266 HydrophobicContact CE2-CB 4.4Å; F224-L266 HydrophobicContact CE2-CD2 4.24Å
225H33Very low43.9Very low97 Ų9784.1 Ų84.145%0.44951%0.509SS..  trans-113.5102.7178.9-66.5-73.2000108.7A215 P227A215-H225 PolarHBondContact O-NE2 3.1Å; H225-P227 WeakPolarHBondContact O-CD 3.47Å
226S28.7Very low41.7Very low85 Ų8587.8 Ų87.859%0.59452%0.519SS*.  trans-72.3114.8157-101.30000107.5N228S226-N228 PolarHBondContact O-N 2.78Å
227P35.8Very low39.9Very low124 Ų12491.9 Ų91.981%0.80554%0.539SS*.SBendtrans-73.7-9.9-179.1-15.632.2000113.3H225H225-P227 WeakPolarHBondContact O-CD 3.47Å
228N31.2Very low38.5Very low133 Ų13390.8 Ų90.871%0.71153%0.534SS*.SBendtrans-128.4126.2177.4-70.7-8000106.9S226 G230S226-N228 PolarHBondContact O-N 2.78Å; N228-G230 PolarHBondContact O-N 3.44Å
229G31.1Very low36.9Very low94 Ų9487.1 Ų87.197%0.96952%0.522SS*.  trans-64.750.3176.100000114.3
230G28.7Very low35.3Very low48 Ų4895.4 Ų95.450%0.49556%0.56SS.*  trans-102.797.317100000108.9N228N228-G230 PolarHBondContact O-N 3.44Å
231T27.3Very low34.4Very low111 Ų111103.2 Ų103.268%0.68160%0.596SS**  trans34.499.3149.7-260000115.9Q233T231-Q233 HydrophobicContact CG2-CB 3.85Å; T231-Q233 PolarHBondContact O-N 3.11Å
232V37Very low33.9Very low82 Ų82107 Ų10750%0.49762%0.619SS.*THydrogen-bonded Turntrans-71.551.1164.4-170.70000109.9L235V232-L235 HydrophobicContact CG1-CB 4.38Å
233Q34.2Very low33.7Very low104 Ų104104.3 Ų104.349%0.48662%0.616SS.*THydrogen-bonded Turntrans-96-25.8164.7-151.868.950.500110.1T231 L235 Q236T231-Q233 HydrophobicContact CG2-CB 3.85Å; T231-Q233 PolarHBondContact O-N 3.11Å; Q233-L235 PolarHBondContact O-N 2.56Å; Q233-Q236 PolarHBondContact O-N 3.28Å
234G32.1Very low33.4Very low49 Ų49105.4 Ų105.451%0.50562%0.618SS.*Hα-helixtrans-72.3-22.2-177.300000115.6Q238G234-Q238 PolarHBondContact O-N 3.13Å
235L34Very low33.2Very low121 Ų121108.8 Ų108.863%0.63464%0.644SS**Hα-helixtrans-82.4-20.6178.7-136.177.9000112.5V232 Q233V232-L235 HydrophobicContact CG1-CB 4.38Å; Q233-L235 PolarHBondContact O-N 2.56Å
236Q35.4Very low33.1Very low117 Ų117109.4 Ų109.455%0.54766%0.66SS.*Hα-helixtrans-83-28.5177.1-149.2162.623.400111.7Q233 Q239Q233-Q236 PolarHBondContact O-N 3.28Å; Q236-Q239 WeakPolarHBondContact O-CB 3.33Å
237D32.1Very low33.3Very low116 Ų116114.1 Ų114.162%0.6267%0.672SS**Hα-helixtrans-94.4-25.6-176.6-64.6-23.8000114.4Q239D237-Q239 PolarHBondContact O-N 2.98Å
238Q34.3Very low33Very low140 Ų140112.8 Ų112.865%0.65466%0.664SS**G310 helixtrans-73.6-12.4168.8-88.2-151.3-5100113.5G234 E240 H241G234-Q238 PolarHBondContact O-N 3.13Å; Q238-E240 VanDerWaalsContact C-N 3.27Å; Q238-E240 PolarHBondContact O-N 3.47Å; Q238-H241 PolarHBondContact O-N 3.3Å
239Q32.5Very low32.9Very low46 Ų46116.3 Ų116.322%0.21567%0.672CS.*G310 helixtrans-67.5-24.4-173.4-16061.973.600113.5Q236 D237 G261 Q262Q236-Q239 WeakPolarHBondContact O-CB 3.33Å; D237-Q239 PolarHBondContact O-N 2.98Å; Q239-G261 PolarHBondContact NE2-O 2.79Å; Q239-Q262 VanDerWaalsContact CG-CD 3.48Å; Q239-Q262 HydrophobicContact CG-CG 3.68Å; Q239-Q262 VanDerWaalsContact OE1-CG 3.28Å
240E34.4Very low33.1Very low181 Ų181118.8 Ų118.885%0.84667%0.669SS**G310 helixtrans-96.2-10.4-176.4-67.3-165.7151.700114.3Q238Q238-E240 VanDerWaalsContact C-N 3.27Å; Q238-E240 PolarHBondContact O-N 3.47Å
241H36.9Very low33.1Very low173 Ų173121.7 Ų121.780%0.80167%0.671SS**THydrogen-bonded Turntrans-120.50.4-166.8-133.3-79000116.9Q238Q238-H241 PolarHBondContact O-N 3.3Å
242V38.5Very low33.2Very low105 Ų105119.4 Ų119.464%0.63667%0.669SS**  trans-123.416-168.7-171.90000114.9A244V242-A244 PolarHBondContact O-N 2.9Å
243V35.3Very low33.1Very low133 Ų133123.8 Ų123.881%0.80668%0.684SS**  trans-101.365.4176-173.60000111.7
244A32.4Very low33Very low91 Ų91127.7 Ų127.775%0.75270%0.702SS**SBendtrans-134.7-13.6176.600000116.6V242V242-A244 PolarHBondContact O-N 2.9Å
245T31.4Very low33.2Very low135 Ų135129.7 Ų129.783%0.82870%0.702SS**SBendtrans-144.164-160.7-31.40000115.3
246S32.7Very low33.1Very low110 Ų110131.9 Ų131.977%0.76971%0.706SS**SBendtrans-173.4124.8146.555.60000112.8
247Q31.1Very low32.8Very low183 Ų183135.9 Ų135.986%0.85572%0.722SS**  trans89.2126.5165.1-57.3-78.9-4400117.6
248P30Very low32.7Very low97 Ų97136.9 Ų136.963%0.6373%0.727SS**  trans-117.2152.8-146.414.411.5000114.1
249K29.5Very low32.7Very low206 Ų206137 Ų13790%0.89673%0.731SS**SBendtrans44.973.8146.9-61.6178.2178.4177.10117.4
250T34.4Very low32.7Very low146 Ų146137.7 Ų137.790%0.89674%0.741SS**  trans-1618.5150.8-1.70000116.7
251M30.1Very low32.6Very low109 Ų109131.6 Ų131.654%0.53773%0.727SS.*SBendtrans-124.2115.2175.5-141.6144.6-173.600109.3
252G28.3Very low32.6Very low63 Ų63128.9 Ų128.965%0.64971%0.714SS**  trans-56.1157.6-179.800000112.4Q254G252-Q254 PolarHBondContact O-N 3.35Å
253H36.3Very low32.6Very low174 Ų174125.1 Ų125.181%0.80669%0.693SS**THydrogen-bonded Turntrans-61.94.8-158-138.3-3.7000117.7
254Q31.2Very low33.4Very low186 Ų186120.4 Ų120.487%0.86967%0.666SS**THydrogen-bonded Turntrans-102.9-15-165.9-110.7160.2-400116.3G252G252-Q254 PolarHBondContact O-N 3.35Å
255D35.9Very low34.4Very low92 Ų92118.6 Ų118.649%0.49265%0.646SS.*SBendtrans-100.64.3178.6-68.1-28.8000114K257D255-K257 PolarHBondContact O-N 3.16Å
256K31.7Very low35.7Very low167 Ų167112.3 Ų112.373%0.72661%0.607SS**THydrogen-bonded Turntrans-72.9-4.6-176.9-93.5-173.5175.1-175.10114.8
257K29.4Very low37Very low200 Ų200107.1 Ų107.187%0.8757%0.571SS**THydrogen-bonded Turntrans-100.8-10.5-173.9-75.2-172.4174.8-175.30115.9D255D255-K257 PolarHBondContact O-N 3.16Å
258D31.4Very low38Very low138 Ų138100.6 Ų100.674%0.73855%0.545SS*.SBendtrans-111.7-0.6-179.5-69.1-38.7000115C260D258-C260 VanDerWaalsContact C-N 3.27Å; D258-C260 PolarHBondContact O-N 2.97Å
259L32.4Very low39.5Very low142 Ų14296 Ų9674%0.74352%0.515SS*.  trans-80.978.8169.9-80.7141000109.3G261L259-G261 PolarHBondContact O-N 2.97Å
260C33Very low41Very low60 Ų6086.3 Ų86.341%0.40547%0.473SS..  trans-48.6109.7166.5-174.80000109.3D258 Q262 C263D258-C260 VanDerWaalsContact C-N 3.27Å; D258-C260 PolarHBondContact O-N 2.97Å; C260-Q262 PolarHBondContact O-N 3.26Å; C260-C263 PolarHBondContact O-N 3.27Å
261G32.3Very low42.2Very low54 Ų5482.6 Ų82.656%0.55744%0.443SS*.THydrogen-bonded Turntrans-64.63.218000000114.8Q239 L259Q239-G261 PolarHBondContact NE2-O 2.79Å; L259-G261 PolarHBondContact O-N 2.97Å
262Q37.1Very low43.5Very low115 Ų11578.3 Ų78.354%0.53742%0.422SS..THydrogen-bonded Turntrans-106.10.9-175.7-24.6-153.54.900114.2Q239 C260 S264Q239-Q262 VanDerWaalsContact CG-CD 3.48Å; Q239-Q262 HydrophobicContact CG-CG 3.68Å; Q239-Q262 VanDerWaalsContact OE1-CG 3.28Å; C260-Q262 PolarHBondContact O-N 3.26Å; Q262-S264 PolarHBondContact O-N 3.21Å
263C39.1Very low45.1Very low27 Ų2775.4 Ų75.418%0.18239%0.391CS..  trans-75.4114.1-177.9-81.90000110.6C260 C268 R271C260-C263 PolarHBondContact O-N 3.27Å; C263-C268 HydrophobicContact CB-CB 4.41Å; C263-C268 WeakPolarHBondContact CB-SG 3.27Å; C263-R271 PolarHBondContact SG-NH2 3.5Å
264S52.2Low46.2Very low34 Ų3468.7 Ų68.724%0.23836%0.361CS..  trans-49.6150.9164.269.50000109.5F224 Q262 L266 G267 C268F224-S264 WeakPolarHBondContact CE2-OG 3.45Å; F224-S264 WeakPolarHBondContact CZ-OG 2.95Å; Q262-S264 PolarHBondContact O-N 3.21Å; S264-L266 CarbonylContact O-C 3.6Å; S264-L266 PolarHBondContact O-N 3.39Å; S264-G267 CarbonylContact O-C 3.58Å; S264-G267 WeakPolarHBondContact O-CA 3.31Å; S264-G267 PolarHBondContact O-N 3.26Å; S264-G267 PolarHBondContact OG-N 2.98Å; S264-C268 PolarHBondContact O-N 2.95Å
265P51.9Low47.7Very low53 Ų5365.4 Ų65.434%0.34435%0.35SS..Hα-helixtrans-50.7-30.4176-27.730.5000113.1L221 L269 L297 M298L221-P265 HydrophobicContact CD1-CB 3.71Å; L221-P265 HydrophobicContact CD1-CG 3.93Å; L221-P265 HydrophobicContact CD2-CB 4.33Å; L221-P265 HydrophobicContact CD2-CG 4.37Å; P265-L269 VanDerWaalsContact O-CB 3.26Å; P265-L269 WeakPolarHBondContact O-CB 3.38Å; P265-L269 PolarHBondContact O-N 3.2Å; P265-L297 HydrophobicContact CB-CD2 3.66Å; P265-M298 HydrophobicContact CB-SD 4.44Å
266L59.4Low48.8Very low3 Ų361.5 Ų61.52%0.01633%0.331CS..Hα-helixtrans-69-49.6170.9-174.361.2000111.8L214 L221 F224 S264 C268 L269 I270 Y289 L297L214-L266 HydrophobicContact CD2-CD2 4Å; L221-L266 HydrophobicContact CD1-CB 3.87Å; F224-L266 HydrophobicContact CE2-CB 4.4Å; F224-L266 HydrophobicContact CE2-CD2 4.24Å; S264-L266 CarbonylContact O-C 3.6Å; S264-L266 PolarHBondContact O-N 3.39Å; L266-C268 VanDerWaalsContact C-N 3.31Å; L266-C268 PolarHBondContact O-N 3.33Å; L266-L269 HydrophobicContact CD1-CD2 4.29Å; L266-L269 CarbonylContact O-C 3.54Å; L266-L269 WeakPolarHBondContact O-CA 3.49Å; L266-L269 WeakPolarHBondContact O-CB 3.35Å; L266-L269 PolarHBondContact O-N 3.26Å; L266-L269 VanDerWaalsContact O-N 3.08Å; L266-I270 HydrophobicContact CD1-CD1 4.12Å; L266-I270 HydrophobicContact CD1-CG1 4.37Å; L266-I270 HydrophobicContact CD2-CD1 4.5Å; L266-I270 HydrophobicContact CG-CD1 3.7Å; L266-I270 HydrophobicContact CG-CG1 4.43Å; L266-I270 WeakPolarHBondContact O-CB 3.34Å; L266-I270 VanDerWaalsContact O-CD1 3.26Å; L266-I270 WeakPolarHBondContact O-CD1 3.43Å; L266-I270 WeakPolarHBondContact O-CG1 3.45Å; L266-I270 PolarHBondContact O-N 3.29Å; L266-Y289 HydrophobicContact CD1-CE1 4.11Å; L266-L297 HydrophobicContact CD1-CD1 3.93Å
267G59.6Low50.6Low1 Ų154.3 Ų54.31%0.0130%0.3CS..Hα-helixtrans-58.4-40.117400000113.3D189 S264 I270 R271D189-G267 WeakPolarHBondContact OD2-CA 3.46Å; S264-G267 CarbonylContact O-C 3.58Å; S264-G267 WeakPolarHBondContact O-CA 3.31Å; S264-G267 PolarHBondContact O-N 3.26Å; S264-G267 PolarHBondContact OG-N 2.98Å; G267-I270 PolarHBondContact O-N 3.18Å; G267-R271 WeakPolarHBondContact O-CB 3.48Å; G267-R271 PolarHBondContact O-N 3.23Å
268C53.7Low53Low45 Ų4547.1 Ų47.130%0.30428%0.276SS..Hα-helixtrans-60.6-49.4169.9-80.30000111.4C263 S264 L266 I270 R271 I272C263-C268 HydrophobicContact CB-CB 4.41Å; C263-C268 WeakPolarHBondContact CB-SG 3.27Å; S264-C268 PolarHBondContact O-N 2.95Å; L266-C268 VanDerWaalsContact C-N 3.31Å; L266-C268 PolarHBondContact O-N 3.33Å; C268-I270 VanDerWaalsContact C-N 3.34Å; C268-I270 PolarHBondContact O-N 3.15Å; C268-R271 PolarHBondContact O-N 2.97Å; C268-I272 VanDerWaalsContact O-CB 3.27Å; C268-I272 WeakPolarHBondContact O-CB 3.38Å; C268-I272 WeakPolarHBondContact O-CD1 3.22Å; C268-I272 WeakPolarHBondContact O-CG1 3.29Å; C268-I272 PolarHBondContact O-N 3.18Å
269L59.7Low55.5Low1 Ų141.6 Ų41.61%0.00525%0.246CC..Hα-helixtrans-58.5-46.5177.7-177.4119000111.1P265 L266 I272 L273 L297 I300 T301P265-L269 VanDerWaalsContact O-CB 3.26Å; P265-L269 WeakPolarHBondContact O-CB 3.38Å; P265-L269 PolarHBondContact O-N 3.2Å; L266-L269 HydrophobicContact CD1-CD2 4.29Å; L266-L269 CarbonylContact O-C 3.54Å; L266-L269 WeakPolarHBondContact O-CA 3.49Å; L266-L269 WeakPolarHBondContact O-CB 3.35Å; L266-L269 PolarHBondContact O-N 3.26Å; L266-L269 VanDerWaalsContact O-N 3.08Å; L269-I272 PolarHBondContact O-N 2.97Å; L269-L273 HydrophobicContact CD2-CD1 3.49Å; L269-L273 VanDerWaalsContact CD2-CD1 3.49Å; L269-L273 HydrophobicContact CD2-CG 4.48Å; L269-L273 HydrophobicContact CG-CD1 3.72Å; L269-L273 HydrophobicContact CG-CG 4.22Å; L269-L273 WeakPolarHBondContact O-CB 3.38Å; L269-L273 WeakPolarHBondContact O-CG 3.41Å; L269-L273 PolarHBondContact O-N 3.4Å; L269-L297 HydrophobicContact CB-CD1 3.96Å; L269-L297 HydrophobicContact CD1-CD1 3.55Å; L269-L297 HydrophobicContact CD1-CG 4.07Å; L269-L297 HydrophobicContact CD2-CD1 3.74Å; L269-L297 HydrophobicContact CG-CD1 3.94Å; L269-I300 HydrophobicContact CD1-CB 3.63Å; L269-I300 HydrophobicContact CD1-CG2 3.36Å; L269-I300 HydrophobicContact CG-CG2 4.26Å; L269-T301 VanDerWaalsContact CD1-OG1 3.24Å; L269-T301 WeakPolarHBondContact CD1-OG1 3.48Å
270I61.1Low58Low3 Ų335.1 Ų35.12%0.01521%0.213CC..Hα-helixtrans-60.2-52.1179-68.7157.9000110.4D189 H192 I193 L266 G267 C268 I272 L273 I274 W286D189-I270 HydrophobicContact CB-CD1 4.45Å; D189-I270 HydrophobicContact CB-CG2 4.23Å; H192-I270 HydrophobicContact CB-CG2 4.3Å; I193-I270 HydrophobicContact CD1-CD1 3.19Å; I193-I270 HydrophobicContact CD1-CG1 4.19Å; I193-I270 HydrophobicContact CG1-CD1 3.36Å; I193-I270 HydrophobicContact CG1-CG1 3.82Å; I193-I270 HydrophobicContact CG1-CG2 4.02Å; L266-I270 HydrophobicContact CD1-CD1 4.12Å; L266-I270 HydrophobicContact CD1-CG1 4.37Å; L266-I270 HydrophobicContact CD2-CD1 4.5Å; L266-I270 HydrophobicContact CG-CD1 3.7Å; L266-I270 HydrophobicContact CG-CG1 4.43Å; L266-I270 WeakPolarHBondContact O-CB 3.34Å; L266-I270 VanDerWaalsContact O-CD1 3.26Å; L266-I270 WeakPolarHBondContact O-CD1 3.43Å; L266-I270 WeakPolarHBondContact O-CG1 3.45Å; L266-I270 PolarHBondContact O-N 3.29Å; G267-I270 PolarHBondContact O-N 3.18Å; C268-I270 VanDerWaalsContact C-N 3.34Å; C268-I270 PolarHBondContact O-N 3.15Å; I270-I272 VanDerWaalsContact C-N 3.33Å; I270-I272 PolarHBondContact O-N 3.23Å; I270-L273 PolarHBondContact O-N 3.4Å; I270-I274 HydrophobicContact CB-CD1 4.43Å; I270-I274 HydrophobicContact CG2-CD1 3.47Å; I270-I274 VanDerWaalsContact CG2-CD1 3.47Å; I270-I274 VanDerWaalsContact O-CB 3.29Å; I270-I274 WeakPolarHBondContact O-CB 3.26Å; I270-I274 VanDerWaalsContact O-CD1 3.24Å; I270-I274 WeakPolarHBondContact O-CD1 3.44Å; I270-I274 WeakPolarHBondContact O-CG1 3.5Å; I270-I274 PolarHBondContact O-N 2.87Å; I270-W286 HydrophobicContact CG1-CH2 4.41Å; I270-W286 HydrophobicContact CG1-CZ2 4.08Å
271R60.2Low60.6Low67 Ų6732.6 Ų32.625%0.25320%0.196SC..Hα-helixtrans-58.9-45.9178.5-170.4113.969.6101.37.5111.5R188 C263 G267 C268 L273 I274 D275R188-R271 VanDerWaalsContact NH2-CZ 3.31Å; C263-R271 PolarHBondContact SG-NH2 3.5Å; G267-R271 WeakPolarHBondContact O-CB 3.48Å; G267-R271 PolarHBondContact O-N 3.23Å; C268-R271 PolarHBondContact O-N 2.97Å; R271-L273 PolarHBondContact O-N 3.11Å; R271-I274 PolarHBondContact O-N 3.47Å; R271-D275 PolarHBondContact O-N 3.25Å
272I57Low63.2Low20 Ų2030.2 Ų30.210%0.10317%0.171CC..Hα-helixtrans-66.1-41.1-178.6-67.2168.4000111.1C268 L269 I270 I274 G276 I277 T301 A304 Q308C268-I272 VanDerWaalsContact O-CB 3.27Å; C268-I272 WeakPolarHBondContact O-CB 3.38Å; C268-I272 WeakPolarHBondContact O-CD1 3.22Å; C268-I272 WeakPolarHBondContact O-CG1 3.29Å; C268-I272 PolarHBondContact O-N 3.18Å; L269-I272 PolarHBondContact O-N 2.97Å; I270-I272 VanDerWaalsContact C-N 3.33Å; I270-I272 PolarHBondContact O-N 3.23Å; I272-I274 VanDerWaalsContact C-N 3.26Å; I272-I274 PolarHBondContact O-N 2.77Å; I272-G276 PolarHBondContact O-N 3.24Å; I272-I277 HydrophobicContact CG2-CD1 4.4Å; I272-T301 HydrophobicContact CD1-CG2 3.99Å; I272-A304 HydrophobicContact CB-CB 4.38Å; I272-A304 VanDerWaalsContact CG2-C 3.47Å; I272-A304 HydrophobicContact CG2-CB 3.25Å; I272-Q308 HydrophobicContact CG2-CG 4.16Å; I272-Q308 PolarHBondContact O-NE2 3.21Å
273L62.5Low65.7Low1 Ų124.8 Ų24.81%0.00515%0.145CC..Hα-helixtrans-66.5-28.2178.1-75178000112.3L269 I270 R271 I277 T282 L285 I300 A304L269-L273 HydrophobicContact CD2-CD1 3.49Å; L269-L273 VanDerWaalsContact CD2-CD1 3.49Å; L269-L273 HydrophobicContact CD2-CG 4.48Å; L269-L273 HydrophobicContact CG-CD1 3.72Å; L269-L273 HydrophobicContact CG-CG 4.22Å; L269-L273 WeakPolarHBondContact O-CB 3.38Å; L269-L273 WeakPolarHBondContact O-CG 3.41Å; L269-L273 PolarHBondContact O-N 3.4Å; I270-L273 PolarHBondContact O-N 3.4Å; R271-L273 PolarHBondContact O-N 3.11Å; L273-I277 HydrophobicContact CD2-CD1 4.22Å; L273-T282 HydrophobicContact CB-CG2 3.88Å; L273-T282 PolarHBondContact O-OG1 3.05Å; L273-L285 HydrophobicContact CD2-CB 3.98Å; L273-L285 HydrophobicContact CD2-CD1 3.39Å; L273-L285 HydrophobicContact CD2-CG 4.31Å; L273-I300 HydrophobicContact CD2-CG2 4.35Å; L273-A304 HydrophobicContact CD2-CB 4.49Å
274I60.2Low68.1Low34 Ų3423.8 Ų23.817%0.17414%0.138CC..Hα-helixtrans-101.6-38.3-166.6-66.3163.5000112.3H192 I270 R271 I272H192-I274 HydrophobicContact CB-CD1 3.28Å; H192-I274 HydrophobicContact CB-CG1 4.38Å; H192-I274 HydrophobicContact CB-CG2 4.18Å; H192-I274 VanDerWaalsContact CD2-CG2 3.43Å; H192-I274 WeakPolarHBondContact CD2-CG2 3.45Å; I270-I274 HydrophobicContact CB-CD1 4.43Å; I270-I274 HydrophobicContact CG2-CD1 3.47Å; I270-I274 VanDerWaalsContact CG2-CD1 3.47Å; I270-I274 VanDerWaalsContact O-CB 3.29Å; I270-I274 WeakPolarHBondContact O-CB 3.26Å; I270-I274 VanDerWaalsContact O-CD1 3.24Å; I270-I274 WeakPolarHBondContact O-CD1 3.44Å; I270-I274 WeakPolarHBondContact O-CG1 3.5Å; I270-I274 PolarHBondContact O-N 2.87Å; R271-I274 PolarHBondContact O-N 3.47Å; I272-I274 VanDerWaalsContact C-N 3.26Å; I272-I274 PolarHBondContact O-N 2.77Å
275D61.1Low69.9Low117 Ų11722.2 Ų22.263%0.62613%0.126SC*.Hα-helixtrans-92.5-21.1179.7-67.2-27.9000113.1R271R271-D275 PolarHBondContact O-N 3.25Å
276G60.1Low71.7Confident10 Ų1019.7 Ų19.710%0.10311%0.11CC..SBendtrans-105-18.5-168.400000117I272 R311I272-G276 PolarHBondContact O-N 3.24Å; G276-R311 WeakPolarHBondContact O-CD 3.44Å; G276-R311 VanDerWaalsContact O-CZ 3.31Å; G276-R311 PolarHBondContact O-NH1 3.44Å
277I69.6Low73.3Confident15 Ų1519.6 Ų19.68%0.07711%0.109CC..SBendtrans-132.2155.3-159.4-62.9178000110.1I272 L273 L281 A304 V307I272-I277 HydrophobicContact CG2-CD1 4.4Å; L273-I277 HydrophobicContact CD2-CD1 4.22Å; I277-L281 HydrophobicContact CG2-CB 3.62Å; I277-L281 HydrophobicContact CG2-CD2 3.59Å; I277-L281 HydrophobicContact CG2-CG 3.67Å; I277-A304 HydrophobicContact CD1-CB 3.54Å; I277-V307 HydrophobicContact CG1-CG1 4.18Å
278S80.3Confident75Confident50 Ų5019.5 Ų19.535%0.3511%0.109SC..  trans-66.3143.3174.150.30000110.6G280 L281 T282S278-G280 PolarHBondContact O-N 3.02Å; S278-G280 VanDerWaalsContact O-N 3.13Å; S278-L281 PolarHBondContact O-N 2.8Å; S278-L281 VanDerWaalsContact O-N 3.1Å; S278-T282 PolarHBondContact O-N 3.17Å; S278-T282 PolarHBondContact O-OG1 3.33Å
279L83.1Confident76.7Confident22 Ų2217.4 Ų17.412%0.1159%0.094CC..Hα-helixtrans-52.5-38.1177.6179.259.7000112L49 I51 L196 L199 T282 L283L49-L279 HydrophobicContact CB-CD2 4.23Å; L49-L279 HydrophobicContact CD1-CB 4.18Å; I51-L279 HydrophobicContact CD1-CB 4.34Å; I51-L279 HydrophobicContact CD1-CD2 3.73Å; I51-L279 HydrophobicContact CG1-CD2 4.25Å; L196-L279 HydrophobicContact CD1-CD1 4.11Å; L199-L279 HydrophobicContact CD1-CD1 4.37Å; L199-L279 HydrophobicContact CD1-CD2 4.32Å; L279-T282 WeakPolarHBondContact O-CB 3.22Å; L279-T282 PolarHBondContact O-N 2.99Å; L279-L283 HydrophobicContact CD1-CD1 4.29Å; L279-L283 HydrophobicContact CD1-CG 4.12Å; L279-L283 HydrophobicContact CG-CD1 4.02Å; L279-L283 HydrophobicContact CG-CG 4.35Å; L279-L283 VanDerWaalsContact O-CG 3.22Å; L279-L283 WeakPolarHBondContact O-CG 3.27Å; L279-L283 PolarHBondContact O-N 3.01Å
280G85.7Confident78.2Confident6 Ų617.6 Ų17.66%0.06210%0.095CC..Hα-helixtrans-57.4-52.6176.900000112.9S278 T282 L283 R284S278-G280 PolarHBondContact O-N 3.02Å; S278-G280 VanDerWaalsContact O-N 3.13Å; G280-T282 VanDerWaalsContact C-N 3.31Å; G280-T282 PolarHBondContact O-N 3.1Å; G280-L283 PolarHBondContact O-N 3.45Å; G280-R284 WeakPolarHBondContact O-CG 3.38Å; G280-R284 PolarHBondContact O-N 3.06Å; G280-R284 VanDerWaalsContact O-N 3.08Å
281L86.1Confident79.7Confident7 Ų718.8 Ų18.84%0.03710%0.103CC..Hα-helixtrans-65.3-37177.5178.857.2000111.4I277 S278 R284 L285 E336 V339 L340I277-L281 HydrophobicContact CG2-CB 3.62Å; I277-L281 HydrophobicContact CG2-CD2 3.59Å; I277-L281 HydrophobicContact CG2-CG 3.67Å; S278-L281 PolarHBondContact O-N 2.8Å; S278-L281 VanDerWaalsContact O-N 3.1Å; L281-R284 PolarHBondContact O-N 3.03Å; L281-L285 HydrophobicContact CD1-CD1 4.05Å; L281-L285 HydrophobicContact CD1-CD2 4.42Å; L281-L285 HydrophobicContact CD1-CG 3.98Å; L281-L285 HydrophobicContact CG-CD1 3.89Å; L281-L285 HydrophobicContact CG-CG 4.29Å; L281-L285 VanDerWaalsContact O-CG 3.27Å; L281-L285 WeakPolarHBondContact O-CG 3.38Å; L281-L285 PolarHBondContact O-N 3.1Å; L281-E336 HydrophobicContact CB-CG 4.23Å; L281-E336 HydrophobicContact CD1-CB 4.39Å; L281-E336 PolarHBondContact N-OE1 3.13Å; L281-E336 VanDerWaalsContact N-OE1 3.09Å; L281-V339 HydrophobicContact CD1-CB 4.1Å; L281-V339 HydrophobicContact CD1-CG1 3.99Å; L281-V339 HydrophobicContact CD1-CG2 4.47Å; L281-V339 HydrophobicContact CD2-CB 4.5Å; L281-V339 HydrophobicContact CD2-CG1 4.16Å; L281-V339 HydrophobicContact CD2-CG2 4.19Å; L281-L340 HydrophobicContact CD1-CD2 3.43Å; L281-L340 VanDerWaalsContact CD1-CD2 3.43Å
282T86.8Confident81.2Confident4 Ų417.6 Ų17.63%0.02510%0.1CC..Hα-helixtrans-57.2-53.8175-62.40000110.9L273 S278 L279 G280 R284 L285 W286L273-T282 HydrophobicContact CB-CG2 3.88Å; L273-T282 PolarHBondContact O-OG1 3.05Å; S278-T282 PolarHBondContact O-N 3.17Å; S278-T282 PolarHBondContact O-OG1 3.33Å; L279-T282 WeakPolarHBondContact O-CB 3.22Å; L279-T282 PolarHBondContact O-N 2.99Å; G280-T282 VanDerWaalsContact C-N 3.31Å; G280-T282 PolarHBondContact O-N 3.1Å; T282-R284 PolarHBondContact O-N 2.81Å; T282-L285 PolarHBondContact O-N 3.32Å; T282-L285 VanDerWaalsContact O-N 3.11Å; T282-W286 PolarHBondContact O-N 3.08Å
283L89.6Confident82.6Confident0 Ų017 Ų170%010%0.098CC..Hα-helixtrans-55.5-41.5176.9-67.3165.3000112.3L49 W111 L196 Y200 L279 G280 W286 D287L49-L283 HydrophobicContact CD2-CD1 4.46Å; W111-L283 HydrophobicContact CH2-CD2 3.84Å; W111-L283 HydrophobicContact CZ2-CD2 4.29Å; L196-L283 HydrophobicContact CD1-CD2 3.63Å; L196-L283 HydrophobicContact CG-CD2 4.45Å; Y200-L283 HydrophobicContact CD2-CD2 4.35Å; Y200-L283 HydrophobicContact CE2-CD1 4.46Å; Y200-L283 HydrophobicContact CE2-CD2 3.34Å; Y200-L283 WeakPolarHBondContact OH-CD1 3.08Å; L279-L283 HydrophobicContact CD1-CD1 4.29Å; L279-L283 HydrophobicContact CD1-CG 4.12Å; L279-L283 HydrophobicContact CG-CD1 4.02Å; L279-L283 HydrophobicContact CG-CG 4.35Å; L279-L283 VanDerWaalsContact O-CG 3.22Å; L279-L283 WeakPolarHBondContact O-CG 3.27Å; L279-L283 PolarHBondContact O-N 3.01Å; G280-L283 PolarHBondContact O-N 3.45Å; L283-W286 WeakPolarHBondContact O-CB 3.43Å; L283-W286 PolarHBondContact O-N 3.35Å; L283-D287 PolarHBondContact O-N 3.42Å
284R91Very high83.6Confident7 Ų720.8 Ų20.83%0.02612%0.116CC..Hα-helixtrans-68-35.4178.8-74.5-148.958.3-167.4-5.6114.2Y99 K100 G280 L281 T282 V288 D337 L340Y99-R284 VanDerWaalsContact C-NH2 3.26Å; Y99-R284 PolarHBondContact O-NH2 3.33Å; K100-R284 PolarHBondContact O-NH1 3.47Å; K100-R284 PolarHBondContact O-NH2 2.96Å; K100-R284 VanDerWaalsContact O-NH2 3.17Å; G280-R284 WeakPolarHBondContact O-CG 3.38Å; G280-R284 PolarHBondContact O-N 3.06Å; G280-R284 VanDerWaalsContact O-N 3.08Å; L281-R284 PolarHBondContact O-N 3.03Å; T282-R284 PolarHBondContact O-N 2.81Å; R284-V288 PolarHBondContact O-N 2.95Å; R284-D337 IonicContact CZ-OD1 3.85Å; R284-D337 IonicContact NH1-OD1 3.8Å; R284-D337 PolarHBondContact NH1-OD1 3.45Å; R284-L340 HydrophobicContact CB-CD2 4.26Å
285L89.8Confident84.8Confident0 Ų023.9 Ų23.90%013%0.13CC..Hα-helixtrans-71.8-36.9174.5-67170.6000110.4L273 L281 T282 V288 Y289 I300 L340 L343L273-L285 HydrophobicContact CD2-CB 3.98Å; L273-L285 HydrophobicContact CD2-CD1 3.39Å; L273-L285 HydrophobicContact CD2-CG 4.31Å; L281-L285 HydrophobicContact CD1-CD1 4.05Å; L281-L285 HydrophobicContact CD1-CD2 4.42Å; L281-L285 HydrophobicContact CD1-CG 3.98Å; L281-L285 HydrophobicContact CG-CD1 3.89Å; L281-L285 HydrophobicContact CG-CG 4.29Å; L281-L285 VanDerWaalsContact O-CG 3.27Å; L281-L285 WeakPolarHBondContact O-CG 3.38Å; L281-L285 PolarHBondContact O-N 3.1Å; T282-L285 PolarHBondContact O-N 3.32Å; T282-L285 VanDerWaalsContact O-N 3.11Å; L285-V288 PolarHBondContact O-N 3.06Å; L285-Y289 WeakPolarHBondContact O-CB 3.4Å; L285-Y289 PolarHBondContact O-N 3.25Å; L285-I300 HydrophobicContact CB-CG2 4.02Å; L285-I300 HydrophobicContact CD1-CG2 4.16Å; L285-I300 HydrophobicContact CD2-CG1 4.3Å; L285-I300 HydrophobicContact CD2-CG2 4.2Å; L285-I300 HydrophobicContact CG-CG2 4.34Å; L285-L340 HydrophobicContact CD2-CD1 4.1Å; L285-L340 HydrophobicContact CD2-CD2 4.15Å; L285-L343 HydrophobicContact CD2-CD2 3.82Å
286W90Very high86Confident1 Ų118.3 Ų18.30%0.00410%0.1CC..Hα-helixtrans-62.8-44.4171.5-83.9103000112.7I193 L196 L213 I270 T282 L283 V288 Y289 L290I193-W286 HydrophobicContact CG2-CH2 4.12Å; L196-W286 HydrophobicContact CD2-CB 4.37Å; L196-W286 HydrophobicContact CD2-CD2 3.63Å; L196-W286 VanDerWaalsContact CD2-CE2 3.46Å; L196-W286 HydrophobicContact CD2-CE3 4.46Å; L196-W286 HydrophobicContact CD2-CG 3.54Å; L196-W286 HydrophobicContact CD2-CZ2 4.17Å; L213-W286 HydrophobicContact CD1-CZ3 4.28Å; L213-W286 HydrophobicContact CD2-CH2 3.9Å; L213-W286 HydrophobicContact CD2-CZ3 3.78Å; I270-W286 HydrophobicContact CG1-CH2 4.41Å; I270-W286 HydrophobicContact CG1-CZ2 4.08Å; T282-W286 PolarHBondContact O-N 3.08Å; L283-W286 WeakPolarHBondContact O-CB 3.43Å; L283-W286 PolarHBondContact O-N 3.35Å; W286-V288 PolarHBondContact O-N 2.9Å; W286-Y289 AromaticContact CE3-CD1 3.89Å; W286-Y289 HydrophobicContact CE3-CD1 3.89Å; W286-Y289 AromaticContact CZ3-CD1 3.82Å; W286-Y289 HydrophobicContact CZ3-CD1 3.82Å; W286-Y289 HydrophobicContact CZ3-CE1 4.07Å; W286-Y289 PolarHBondContact O-N 3.4Å; W286-Y289 VanDerWaalsContact O-N 3.09Å; W286-L290 WeakPolarHBondContact O-CG 3.43Å; W286-L290 PolarHBondContact O-N 3.17Å
287D93.1Very high87.1Confident0 Ų017.9 Ų17.90%010%0.095CC..Hα-helixtrans-54.9-40175-67.1-28.2000111.1M102 R107 W111 L283 V291M102-D287 HydrophobicContact CB-CB 4.45Å; M102-D287 WeakPolarHBondContact CB-OD2 3.49Å; M102-D287 HydrophobicContact CE-CB 4.28Å; R107-D287 IonicContact CZ-OD2 3.33Å; R107-D287 IonicContact NE-OD1 3.61Å; R107-D287 PolarHBondContact NE-OD1 3.25Å; R107-D287 IonicContact NE-OD2 3.21Å; R107-D287 PolarHBondContact NE-OD2 3.25Å; R107-D287 IonicContact NH2-OD2 3.89Å; R107-D287 PolarHBondContact NH2-OD2 2.95Å; W111-D287 PolarHBondContact NE1-OD1 3.09Å; L283-D287 PolarHBondContact O-N 3.42Å; D287-V291 VanDerWaalsContact O-CG2 3.3Å; D287-V291 WeakPolarHBondContact O-CG2 3.42Å
288V93.4Very high87.5Confident0 Ų022.9 Ų22.90%012%0.12CC..Hα-helixtrans-73.7-42.2176.7175.20000111.5A98 Y99 R284 L285 W286 L290 V291 E292 A296 L340 L343A98-V288 HydrophobicContact CB-CG2 4.48Å; Y99-V288 HydrophobicContact CD1-CG2 4.11Å; Y99-V288 HydrophobicContact CE1-CG1 3.9Å; Y99-V288 HydrophobicContact CE1-CG2 4.2Å; Y99-V288 HydrophobicContact CE2-CG1 4.23Å; Y99-V288 HydrophobicContact CG-CG2 4.39Å; R284-V288 PolarHBondContact O-N 2.95Å; L285-V288 PolarHBondContact O-N 3.06Å; W286-V288 PolarHBondContact O-N 2.9Å; V288-L290 PolarHBondContact O-N 3.14Å; V288-V291 PolarHBondContact O-N 3.22Å; V288-E292 HydrophobicContact CG1-CG 3.96Å; V288-E292 WeakPolarHBondContact O-CB 3.34Å; V288-E292 PolarHBondContact O-N 3.47Å; V288-A296 HydrophobicContact CG1-CB 4.5Å; V288-L340 HydrophobicContact CG2-CD1 3.73Å; V288-L343 HydrophobicContact CB-CD2 4.37Å; V288-L343 HydrophobicContact CG1-CD2 3.91Å
289Y90.9Very high87.9Confident1 Ų120.9 Ų20.90%0.00411%0.106CC..Hα-helixtrans-61-44.7179.9177.9-119.7000112.4L213 H219 L266 L285 W286 V291 G293 L297L213-Y289 HydrophobicContact CD1-CE1 3.9Å; H219-Y289 PolarHBondContact O-OH 2.83Å; L266-Y289 HydrophobicContact CD1-CE1 4.11Å; L285-Y289 WeakPolarHBondContact O-CB 3.4Å; L285-Y289 PolarHBondContact O-N 3.25Å; W286-Y289 AromaticContact CE3-CD1 3.89Å; W286-Y289 HydrophobicContact CE3-CD1 3.89Å; W286-Y289 AromaticContact CZ3-CD1 3.82Å; W286-Y289 HydrophobicContact CZ3-CD1 3.82Å; W286-Y289 HydrophobicContact CZ3-CE1 4.07Å; W286-Y289 PolarHBondContact O-N 3.4Å; W286-Y289 VanDerWaalsContact O-N 3.09Å; Y289-V291 PolarHBondContact O-N 2.7Å; Y289-G293 VanDerWaalsContact O-CA 3.29Å; Y289-G293 WeakPolarHBondContact O-CA 3.2Å; Y289-G293 PolarHBondContact O-N 2.64Å; Y289-L297 HydrophobicContact CD2-CD1 4.23Å; Y289-L297 HydrophobicContact CE2-CB 4.12Å; Y289-L297 HydrophobicContact CE2-CD1 3.63Å; Y289-L297 HydrophobicContact CE2-CG 4.48Å
290L91.5Very high88Confident5 Ų519.9 Ų19.93%0.02610%0.1CC..Hα-helixtrans-65.9-21.6178-66.1175000113.1W111 L114 L115 L213 H219 W286 V288W111-L290 HydrophobicContact CB-CD1 4.33Å; W111-L290 HydrophobicContact CD2-CD1 3.89Å; W111-L290 HydrophobicContact CG-CD1 3.68Å; L114-L290 HydrophobicContact CD1-CB 3.94Å; L115-L290 HydrophobicContact CD1-CD2 4.09Å; L115-L290 HydrophobicContact CD2-CD2 3.88Å; L115-L290 HydrophobicContact CG-CD2 4.15Å; L213-L290 HydrophobicContact CD1-CD2 3.82Å; H219-L290 PolarHBondContact NE2-O 2.93Å; W286-L290 WeakPolarHBondContact O-CG 3.43Å; W286-L290 PolarHBondContact O-N 3.17Å; V288-L290 PolarHBondContact O-N 3.14Å
291V92.3Very high87.6Confident28 Ų2820.6 Ų20.617%0.1710%0.104CC..Hα-helixtrans-93.7-41.4179.3171.60000112.4L94 I95 A98 L114 D287 V288 Y289L94-V291 HydrophobicContact CD2-CG1 4.22Å; L94-V291 HydrophobicContact CG-CG1 3.97Å; L94-V291 HydrophobicContact CG-CG2 4.36Å; I95-V291 HydrophobicContact CB-CG1 4.48Å; I95-V291 HydrophobicContact CG1-CG1 3.93Å; A98-V291 HydrophobicContact CB-CB 4.19Å; A98-V291 HydrophobicContact CB-CG1 4.28Å; A98-V291 HydrophobicContact CB-CG2 3.98Å; L114-V291 HydrophobicContact CD1-CG2 3.83Å; L114-V291 HydrophobicContact CD2-CG2 4.01Å; D287-V291 VanDerWaalsContact O-CG2 3.3Å; D287-V291 WeakPolarHBondContact O-CG2 3.42Å; V288-V291 PolarHBondContact O-N 3.22Å; Y289-V291 PolarHBondContact O-N 2.7Å
292E90.3Very high87.2Confident42 Ų4228 Ų2820%0.19613%0.131CC..Hα-helixtrans-92.7-19.3-175.5-67.3-97.7-139.900113.2Y99 V288 A296 M347Y99-E292 HydrophobicContact CE2-CG 4.37Å; Y99-E292 WeakPolarHBondContact CE2-OE1 3.47Å; Y99-E292 PolarHBondContact OH-OE1 2.72Å; V288-E292 HydrophobicContact CG1-CG 3.96Å; V288-E292 WeakPolarHBondContact O-CB 3.34Å; V288-E292 PolarHBondContact O-N 3.47Å; E292-A296 HydrophobicContact CB-CB 3.74Å; E292-M347 HydrophobicContact CB-CE 4.11Å; E292-M347 HydrophobicContact CG-CE 4.22Å
293G86.5Confident87Confident6 Ų628.5 Ų28.56%0.06213%0.133CC..THydrogen-bonded Turntrans73.1-156.9-179.200000114.4R218 Y289 Q295 A296R218-G293 CarbonylContact O-C 3.47Å; R218-G293 VanDerWaalsContact O-CA 3.27Å; R218-G293 WeakPolarHBondContact O-CA 3.36Å; Y289-G293 VanDerWaalsContact O-CA 3.29Å; Y289-G293 WeakPolarHBondContact O-CA 3.2Å; Y289-G293 PolarHBondContact O-N 2.64Å; G293-Q295 PolarHBondContact O-N 3.02Å; G293-A296 PolarHBondContact O-N 3.29Å
294E83.7Confident86.3Confident81 Ų8128.5 Ų28.538%0.37913%0.133SC..Hα-helixtrans-49.6-34.4-176.2-170.7-167.9-170.100113.6R218 L221 A296 L297R218-E294 PolarHBondContact O-N 3.35Å; L221-E294 HydrophobicContact CD2-CG 3.94Å; L221-E294 WeakPolarHBondContact CD2-OE1 3.35Å; E294-A296 PolarHBondContact O-N 3.02Å; E294-A296 VanDerWaalsContact O-N 3.17Å; E294-L297 WeakPolarHBondContact O-CB 3.41Å; E294-L297 PolarHBondContact O-N 3.21Å
295Q85.3Confident85.4Confident100 Ų10032.9 Ų32.947%0.46715%0.153SC..Hα-helixtrans-61-28-179.1-61.6-177.789.300113.3G293 P299 M347G293-Q295 PolarHBondContact O-N 3.02Å; Q295-P299 VanDerWaalsContact O-CD 3.3Å; Q295-P299 WeakPolarHBondContact O-CD 3.47Å; Q295-M347 HydrophobicContact CB-CE 4.33Å
296A87.1Confident84.8Confident0 Ų037.7 Ų37.70%017%0.174CC..Hα-helixtrans-80.7-18.317700000112.9V288 E292 G293 E294 M298 P299 I300 M347V288-A296 HydrophobicContact CG1-CB 4.5Å; E292-A296 HydrophobicContact CB-CB 3.74Å; G293-A296 PolarHBondContact O-N 3.29Å; E294-A296 PolarHBondContact O-N 3.02Å; E294-A296 VanDerWaalsContact O-N 3.17Å; A296-M298 PolarHBondContact O-N 3.33Å; A296-P299 WeakPolarHBondContact O-CD 3.48Å; A296-I300 HydrophobicContact CB-CD1 3.81Å; A296-I300 HydrophobicContact CB-CG1 4.43Å; A296-I300 WeakPolarHBondContact O-CB 3.33Å; A296-I300 WeakPolarHBondContact O-CD1 3.19Å; A296-I300 WeakPolarHBondContact O-CG1 3.49Å; A296-I300 PolarHBondContact O-N 3.38Å; A296-M347 HydrophobicContact CB-CE 3.94Å; A296-M347 HydrophobicContact CB-SD 4.25Å
297L82.2Confident83.9Confident0 Ų038.3 Ų38.30%018%0.178CC..Hα-helixtrans-58.5-55.6-172.4-167.280.7000111.9L221 P265 L266 L269 Y289 E294 I300 T301L221-L297 HydrophobicContact CD1-CD2 3.58Å; L221-L297 HydrophobicContact CD2-CD2 3.67Å; L221-L297 HydrophobicContact CG-CD2 3.93Å; P265-L297 HydrophobicContact CB-CD2 3.66Å; L266-L297 HydrophobicContact CD1-CD1 3.93Å; L269-L297 HydrophobicContact CB-CD1 3.96Å; L269-L297 HydrophobicContact CD1-CD1 3.55Å; L269-L297 HydrophobicContact CD1-CG 4.07Å; L269-L297 HydrophobicContact CD2-CD1 3.74Å; L269-L297 HydrophobicContact CG-CD1 3.94Å; Y289-L297 HydrophobicContact CD2-CD1 4.23Å; Y289-L297 HydrophobicContact CE2-CB 4.12Å; Y289-L297 HydrophobicContact CE2-CD1 3.63Å; Y289-L297 HydrophobicContact CE2-CG 4.48Å; E294-L297 WeakPolarHBondContact O-CB 3.41Å; E294-L297 PolarHBondContact O-N 3.21Å; L297-I300 PolarHBondContact O-N 3.01Å; L297-T301 WeakPolarHBondContact O-CB 3.41Å; L297-T301 PolarHBondContact O-N 2.69Å; L297-T301 PolarHBondContact O-OG1 3.34Å
298M80Confident82.7Confident120 Ų12040.3 Ų40.359%0.59119%0.187SC*.Hα-helixtrans-62.8-45-178.4-71.5-55.3-58.300113.2P265 A296 T301 R302P265-M298 HydrophobicContact CB-SD 4.44Å; A296-M298 PolarHBondContact O-N 3.33Å; M298-T301 PolarHBondContact O-N 2.96Å; M298-R302 WeakPolarHBondContact O-CB 3.25Å; M298-R302 PolarHBondContact O-N 2.95Å
299P86.9Confident81.5Confident9 Ų944.1 Ų44.16%0.05821%0.205CC..Hα-helixtrans-58.5-42171.3-30.539.3000114.2Q295 A296 R302 I303 L343 M347 L350Q295-P299 VanDerWaalsContact O-CD 3.3Å; Q295-P299 WeakPolarHBondContact O-CD 3.47Å; A296-P299 WeakPolarHBondContact O-CD 3.48Å; P299-R302 PolarHBondContact O-N 3.18Å; P299-I303 WeakPolarHBondContact O-CG1 3.26Å; P299-I303 PolarHBondContact O-N 2.99Å; P299-L343 HydrophobicContact CB-CD1 3.58Å; P299-M347 HydrophobicContact CB-CG 4.49Å; P299-M347 HydrophobicContact CB-SD 4.09Å; P299-M347 HydrophobicContact CG-SD 3.69Å; P299-L350 HydrophobicContact CG-CD2 4.41Å
300I85.2Confident80.2Confident0 Ų047.3 Ų47.30%022%0.219CC..Hα-helixtrans-64-51.4176.7-68.2166.9000109.6L269 L273 L285 A296 L297 R302 I303 A304 L343L269-I300 HydrophobicContact CD1-CB 3.63Å; L269-I300 HydrophobicContact CD1-CG2 3.36Å; L269-I300 HydrophobicContact CG-CG2 4.26Å; L273-I300 HydrophobicContact CD2-CG2 4.35Å; L285-I300 HydrophobicContact CB-CG2 4.02Å; L285-I300 HydrophobicContact CD1-CG2 4.16Å; L285-I300 HydrophobicContact CD2-CG1 4.3Å; L285-I300 HydrophobicContact CD2-CG2 4.2Å; L285-I300 HydrophobicContact CG-CG2 4.34Å; A296-I300 HydrophobicContact CB-CD1 3.81Å; A296-I300 HydrophobicContact CB-CG1 4.43Å; A296-I300 WeakPolarHBondContact O-CB 3.33Å; A296-I300 WeakPolarHBondContact O-CD1 3.19Å; A296-I300 WeakPolarHBondContact O-CG1 3.49Å; A296-I300 PolarHBondContact O-N 3.38Å; L297-I300 PolarHBondContact O-N 3.01Å; I300-R302 VanDerWaalsContact C-N 3.27Å; I300-R302 PolarHBondContact O-N 3.39Å; I300-I303 PolarHBondContact O-N 2.87Å; I300-A304 WeakPolarHBondContact O-CB 3.28Å; I300-A304 PolarHBondContact O-N 2.99Å; I300-L343 HydrophobicContact CD1-CD2 4.46Å; I300-L343 HydrophobicContact CG1-CD1 3.82Å; I300-L343 HydrophobicContact CG1-CD2 3.79Å; I300-L343 HydrophobicContact CG1-CG 4.49Å
301T77.5Confident78.7Confident21 Ų2151.8 Ų51.813%0.12924%0.235CC..Hα-helixtrans-55.1-43.3178.3-59.10000111.3L269 I272 L297 M298 I303 A304 F305L269-T301 VanDerWaalsContact CD1-OG1 3.24Å; L269-T301 WeakPolarHBondContact CD1-OG1 3.48Å; I272-T301 HydrophobicContact CD1-CG2 3.99Å; L297-T301 WeakPolarHBondContact O-CB 3.41Å; L297-T301 PolarHBondContact O-N 2.69Å; L297-T301 PolarHBondContact O-OG1 3.34Å; M298-T301 PolarHBondContact O-N 2.96Å; T301-I303 PolarHBondContact O-N 3.39Å; T301-A304 PolarHBondContact O-N 3.4Å; T301-F305 WeakPolarHBondContact O-CB 3.19Å; T301-F305 PolarHBondContact O-N 3.14Å
302R79.2Confident77Confident162 Ų16255.5 Ų55.561%0.61125%0.253SS*.Hα-helixtrans-64.2-40.9177.7-173.4176.7-172.31723.2112.7M298 P299 I300 K306M298-R302 WeakPolarHBondContact O-CB 3.25Å; M298-R302 PolarHBondContact O-N 2.95Å; P299-R302 PolarHBondContact O-N 3.18Å; I300-R302 VanDerWaalsContact C-N 3.27Å; I300-R302 PolarHBondContact O-N 3.39Å; R302-K306 WeakPolarHBondContact O-CB 2.95Å; R302-K306 VanDerWaalsContact O-CG 3.31Å; R302-K306 WeakPolarHBondContact O-CG 3.24Å; R302-K306 PolarHBondContact O-N 3.24Å; R302-K306 VanDerWaalsContact O-N 3.09Å
303I81Confident75.4Confident15 Ų1556.2 Ų56.28%0.07726%0.261CS..Hα-helixtrans-67.4-44.8177-76.2175.9000110.1P299 I300 T301 F305 K306 V307 V339 L343P299-I303 WeakPolarHBondContact O-CG1 3.26Å; P299-I303 PolarHBondContact O-N 2.99Å; I300-I303 PolarHBondContact O-N 2.87Å; T301-I303 PolarHBondContact O-N 3.39Å; I303-F305 PolarHBondContact O-N 3.41Å; I303-K306 WeakPolarHBondContact O-CB 3.44Å; I303-K306 PolarHBondContact O-N 3.16Å; I303-K306 VanDerWaalsContact O-N 3.13Å; I303-V307 HydrophobicContact CG2-CG2 4.49Å; I303-V307 WeakPolarHBondContact O-CG2 3.43Å; I303-V307 PolarHBondContact O-N 3.12Å; I303-V339 HydrophobicContact CG2-CG1 3.4Å; I303-L343 HydrophobicContact CD1-CB 3.47Å; I303-L343 VanDerWaalsContact CD1-CB 3.47Å; I303-L343 HydrophobicContact CD1-CD1 3.74Å; I303-L343 HydrophobicContact CD1-CG 4.17Å
304A75.3Confident73.6Confident0 Ų060.3 Ų60.30%028%0.277CS..Hα-helixtrans-63.4-43.5-177.900000110.8I272 L273 I277 I300 T301 K306 V307 Q308I272-A304 HydrophobicContact CB-CB 4.38Å; I272-A304 VanDerWaalsContact CG2-C 3.47Å; I272-A304 HydrophobicContact CG2-CB 3.25Å; L273-A304 HydrophobicContact CD2-CB 4.49Å; I277-A304 HydrophobicContact CD1-CB 3.54Å; I300-A304 WeakPolarHBondContact O-CB 3.28Å; I300-A304 PolarHBondContact O-N 2.99Å; T301-A304 PolarHBondContact O-N 3.4Å; A304-K306 PolarHBondContact O-N 2.94Å; A304-V307 PolarHBondContact O-N 3.26Å; A304-Q308 PolarHBondContact O-N 3.33Å
305F71.9Confident72Confident99 Ų9962.6 Ų62.643%0.43430%0.296SS..Hα-helixtrans-60.3-43.3170.7-173.6-95.4000112.7T301 I303 V307 Q308 Q309T301-F305 WeakPolarHBondContact O-CB 3.19Å; T301-F305 PolarHBondContact O-N 3.14Å; I303-F305 PolarHBondContact O-N 3.41Å; F305-V307 VanDerWaalsContact C-N 3.29Å; F305-V307 PolarHBondContact O-N 2.88Å; F305-Q308 PolarHBondContact O-N 3Å; F305-Q309 HydrophobicContact CE1-CB 4.41Å; F305-Q309 WeakPolarHBondContact O-CB 3.26Å; F305-Q309 PolarHBondContact O-N 2.83Å
306K77.5Confident70Confident101 Ų10161.3 Ų61.344%0.43930%0.299SS..Hα-helixtrans-62.6-35.2175.7-79178.1176.5-174.70112.8R302 I303 A304 K310R302-K306 WeakPolarHBondContact O-CB 2.95Å; R302-K306 VanDerWaalsContact O-CG 3.31Å; R302-K306 WeakPolarHBondContact O-CG 3.24Å; R302-K306 PolarHBondContact O-N 3.24Å; R302-K306 VanDerWaalsContact O-N 3.09Å; I303-K306 WeakPolarHBondContact O-CB 3.44Å; I303-K306 PolarHBondContact O-N 3.16Å; I303-K306 VanDerWaalsContact O-N 3.13Å; A304-K306 PolarHBondContact O-N 2.94Å; K306-K310 WeakPolarHBondContact O-CB 3.41Å; K306-K310 WeakPolarHBondContact O-CD 3.41Å; K306-K310 VanDerWaalsContact O-CG 3.23Å; K306-K310 WeakPolarHBondContact O-CG 3.13Å; K306-K310 PolarHBondContact O-N 3.5Å
307V71.6Confident67.6Low14 Ų1472.3 Ų72.39%0.08534%0.34CS..Hα-helixtrans-68.7-45.3175.7172.10000109.9I277 I303 A304 F305 R311 W332I277-V307 HydrophobicContact CG1-CG1 4.18Å; I303-V307 HydrophobicContact CG2-CG2 4.49Å; I303-V307 WeakPolarHBondContact O-CG2 3.43Å; I303-V307 PolarHBondContact O-N 3.12Å; A304-V307 PolarHBondContact O-N 3.26Å; F305-V307 VanDerWaalsContact C-N 3.29Å; F305-V307 PolarHBondContact O-N 2.88Å; V307-R311 PolarHBondContact O-N 3.43Å; V307-W332 HydrophobicContact CG2-CE3 4.47Å
308Q67.7Low65.3Low43 Ų4379.1 Ų79.120%0.20139%0.386CS..Hα-helixtrans-64-51.5177.5-78.1-171.7-3200113.4I272 A304 F305 K310 R311 L312I272-Q308 HydrophobicContact CG2-CG 4.16Å; I272-Q308 PolarHBondContact O-NE2 3.21Å; A304-Q308 PolarHBondContact O-N 3.33Å; F305-Q308 PolarHBondContact O-N 3Å; Q308-K310 PolarHBondContact O-N 3.34Å; Q308-K310 VanDerWaalsContact O-N 3.14Å; Q308-R311 WeakPolarHBondContact O-CA 3.44Å; Q308-R311 WeakPolarHBondContact O-CB 3.33Å; Q308-R311 PolarHBondContact O-N 3.32Å; Q308-L312 PolarHBondContact O-N 3.13Å
309Q68.7Low63.8Low79 Ų7975 Ų7537%0.36937%0.374SS..Hα-helixtrans-54-39.6-179.3-171.9-178.917.400111.1F305 L312 T313F305-Q309 HydrophobicContact CE1-CB 4.41Å; F305-Q309 WeakPolarHBondContact O-CB 3.26Å; F305-Q309 PolarHBondContact O-N 2.83Å; Q309-L312 PolarHBondContact O-N 3.48Å; Q309-T313 WeakPolarHBondContact O-CG2 3.4Å; Q309-T313 PolarHBondContact O-N 3.31Å; Q309-T313 PolarHBondContact O-OG1 3.3Å
310K62.8Low61.8Low68 Ų6879.4 Ų79.430%0.29640%0.403SS..Hα-helixtrans-71.1-31.7178.1-71.9-179.3178.6-172.10113.7K306 Q308 T313 K314 V329K306-K310 WeakPolarHBondContact O-CB 3.41Å; K306-K310 WeakPolarHBondContact O-CD 3.41Å; K306-K310 VanDerWaalsContact O-CG 3.23Å; K306-K310 WeakPolarHBondContact O-CG 3.13Å; K306-K310 PolarHBondContact O-N 3.5Å; Q308-K310 PolarHBondContact O-N 3.34Å; Q308-K310 VanDerWaalsContact O-N 3.14Å; K310-T313 WeakPolarHBondContact CA-OG1 3.43Å; K310-T313 PolarHBondContact O-OG1 3.19Å; K310-K314 PolarHBondContact O-N 2.96Å; K310-V329 HydrophobicContact CB-CG2 3.99Å
311R59.9Low59.4Low100 Ų10088.2 Ų88.238%0.37744%0.436SS..Hα-helixtrans-68.4-41.4171.7-72.1-179.9177.2-160.2-4.3111G276 V307 Q308 T313 K314G276-R311 WeakPolarHBondContact O-CD 3.44Å; G276-R311 VanDerWaalsContact O-CZ 3.31Å; G276-R311 PolarHBondContact O-NH1 3.44Å; V307-R311 PolarHBondContact O-N 3.43Å; Q308-R311 WeakPolarHBondContact O-CA 3.44Å; Q308-R311 WeakPolarHBondContact O-CB 3.33Å; Q308-R311 PolarHBondContact O-N 3.32Å; R311-T313 PolarHBondContact O-N 2.86Å; R311-K314 VanDerWaalsContact O-CB 3.31Å; R311-K314 WeakPolarHBondContact O-CB 3.4Å; R311-K314 PolarHBondContact O-N 3.41Å; R311-K314 VanDerWaalsContact O-N 3.11Å
312L57.6Low57.5Low105 Ų10588.8 Ų88.855%0.5544%0.443SS..Hα-helixtrans-66.5-36.6177.2-68.3173.5000112.7Q308 Q309 K314 T315 S316Q308-L312 PolarHBondContact O-N 3.13Å; Q309-L312 PolarHBondContact O-N 3.48Å; L312-K314 PolarHBondContact O-N 3.23Å; L312-T315 PolarHBondContact O-N 2.82Å; L312-S316 PolarHBondContact O-N 3.5Å; L312-S316 PolarHBondContact O-OG 2.76Å
313T56.4Low55.6Low58 Ų5890.1 Ų90.136%0.35645%0.448SS..Hα-helixtrans-67.6-14.5173.354.40000113.9Q309 K310 R311Q309-T313 WeakPolarHBondContact O-CG2 3.4Å; Q309-T313 PolarHBondContact O-N 3.31Å; Q309-T313 PolarHBondContact O-OG1 3.3Å; K310-T313 WeakPolarHBondContact CA-OG1 3.43Å; K310-T313 PolarHBondContact O-OG1 3.19Å; R311-T313 PolarHBondContact O-N 2.86Å
314K49.1Very low53.4Low92 Ų9294.7 Ų94.740%0.447%0.468SS..Hα-helixtrans-77-28173.3-102.4-175.7172.2-177.50112.4K310 R311 L312 N326 V329 D330K310-K314 PolarHBondContact O-N 2.96Å; R311-K314 VanDerWaalsContact O-CB 3.31Å; R311-K314 WeakPolarHBondContact O-CB 3.4Å; R311-K314 PolarHBondContact O-N 3.41Å; R311-K314 VanDerWaalsContact O-N 3.11Å; L312-K314 PolarHBondContact O-N 3.23Å; K314-N326 WeakPolarHBondContact CE-OD1 3.4Å; K314-V329 HydrophobicContact CD-CB 4.34Å; K314-V329 HydrophobicContact CD-CG1 3.89Å; K314-V329 HydrophobicContact CD-CG2 4.34Å; K314-V329 VanDerWaalsContact CE-CG1 3.43Å; K314-D330 IonicContact NZ-OD1 3.53Å
315T49.2Very low51.2Low128 Ų12895.7 Ų95.779%0.78548%0.475SS*.Hα-helixtrans-90.7-23.6-176.3-470000112.3L312L312-T315 PolarHBondContact O-N 2.82Å
316S43.3Very low49.6Very low73 Ų7393.8 Ų93.851%0.5147%0.469SS..SBendtrans-99.6109.9177.157.20000112.4L312L312-S316 PolarHBondContact O-N 3.5Å; L312-S316 PolarHBondContact O-OG 2.76Å
317R36.1Very low47.3Very low232 Ų23298.6 Ų98.688%0.87548%0.484SS*.  trans84.3114.5157.4-58.4178.1123.8171.9-1.6118.4
318C34.9Very low45.5Very low142 Ų142102.5 Ų102.596%0.95950%0.501SS*.  trans-57.5123.5167-166.10000111.3
319G48Very low44.1Very low34 Ų34100.9 Ų100.935%0.35149%0.494SS..SBendtrans172.3164.1174.300000112.4W321 A322G319-W321 PolarHBondContact O-N 3.28Å; G319-A322 VanDerWaalsContact O-CB 3.25Å; G319-A322 WeakPolarHBondContact O-CB 3.36Å; G319-A322 PolarHBondContact O-N 3Å
320P45.5Very low42.8Very low102 Ų102101.7 Ų101.766%0.66250%0.501SS*.Hα-helixtrans-53.2-25.2179.2-26.434.3000114.5A322 R323P320-A322 VanDerWaalsContact C-N 3.29Å; P320-A322 PolarHBondContact O-N 3.47Å; P320-R323 WeakPolarHBondContact O-CB 3.39Å; P320-R323 PolarHBondContact O-N 3.1Å; P320-R323 VanDerWaalsContact O-N 3.16Å
321W34.7Very low41.7Very low184 Ų184101.8 Ų101.870%0.69751%0.507SS*.Hα-helixtrans-62.5-31.5173.6-164-111.2000113.5G319 R323 F324 C325G319-W321 PolarHBondContact O-N 3.28Å; W321-R323 VanDerWaalsContact C-N 3.26Å; W321-R323 PolarHBondContact O-N 3.16Å; W321-F324 HydrophobicContact CH2-CD1 4.25Å; W321-F324 HydrophobicContact CH2-CE1 4.45Å; W321-F324 HydrophobicContact CZ3-CD1 4.33Å; W321-F324 PolarHBondContact O-N 3.01Å; W321-F324 VanDerWaalsContact O-N 3.12Å; W321-C325 PolarHBondContact O-N 3.05Å
322A37.8Very low41.1Very low33 Ų3399.4 Ų99.427%0.27350%0.498SS..Hα-helixtrans-60.9-34.9174.100000111.7G319 P320 C325 N326G319-A322 VanDerWaalsContact O-CB 3.25Å; G319-A322 WeakPolarHBondContact O-CB 3.36Å; G319-A322 PolarHBondContact O-N 3Å; P320-A322 VanDerWaalsContact C-N 3.29Å; P320-A322 PolarHBondContact O-N 3.47Å; A322-C325 PolarHBondContact O-N 3.07Å; A322-N326 VanDerWaalsContact O-CB 3.26Å; A322-N326 WeakPolarHBondContact O-CB 3.29Å; A322-N326 PolarHBondContact O-N 2.72Å; A322-N326 PolarHBondContact O-ND2 3.09Å; A322-N326 PolarHBondContact O-OD1 2.93Å
323R38.7Very low40.7Very low191 Ų19197.1 Ų97.172%0.72149%0.494SS*.Hα-helixtrans-67.7-36.2175.2-71.7-170.8-78.3-168.5-5.1112.4P320 W321 R327P320-R323 WeakPolarHBondContact O-CB 3.39Å; P320-R323 PolarHBondContact O-N 3.1Å; P320-R323 VanDerWaalsContact O-N 3.16Å; W321-R323 VanDerWaalsContact C-N 3.26Å; W321-R323 PolarHBondContact O-N 3.16Å; R323-R327 PolarHBondContact O-N 3.39Å
324F33.9Very low40.6Very low110 Ų110103.7 Ų103.748%0.48251%0.512SS..Hα-helixtrans-70.2-44.9175.7-171.4-98.7000111.6W321 N326 R327 F328W321-F324 HydrophobicContact CH2-CD1 4.25Å; W321-F324 HydrophobicContact CH2-CE1 4.45Å; W321-F324 HydrophobicContact CZ3-CD1 4.33Å; W321-F324 PolarHBondContact O-N 3.01Å; W321-F324 VanDerWaalsContact O-N 3.12Å; F324-N326 VanDerWaalsContact C-N 3.31Å; F324-N326 PolarHBondContact O-N 3.11Å; F324-R327 PolarHBondContact O-N 3.18Å; F324-F328 HydrophobicContact CD1-CD2 4.4Å; F324-F328 HydrophobicContact CD1-CE2 4.47Å; F324-F328 HydrophobicContact CE1-CD2 4.05Å; F324-F328 AromaticContact CE1-CE2 3.77Å; F324-F328 HydrophobicContact CE1-CE2 3.77Å; F324-F328 HydrophobicContact CE2-CE2 4.02Å; F324-F328 HydrophobicContact CZ-CD2 4.23Å; F324-F328 AromaticContact CZ-CE2 3.52Å; F324-F328 HydrophobicContact CZ-CE2 3.52Å; F324-F328 HydrophobicContact CZ-CZ 4.45Å; F324-F328 PolarHBondContact O-N 3.46Å
325C30.6Very low41.8Very low22 Ų22101.1 Ų101.115%0.14950%0.503CS..Hα-helixtrans-61.6-38.9173.4-710000111.7W321 A322 R327 F328 V329W321-C325 PolarHBondContact O-N 3.05Å; A322-C325 PolarHBondContact O-N 3.07Å; C325-R327 PolarHBondContact O-N 3.32Å; C325-F328 PolarHBondContact O-N 2.82Å; C325-V329 WeakPolarHBondContact O-CB 3.46Å; C325-V329 WeakPolarHBondContact O-CG2 3.38Å; C325-V329 PolarHBondContact O-N 3.09Å
326N37.1Very low43.4Very low59 Ų5997.1 Ų97.132%0.31648%0.475SS..Hα-helixtrans-59.2-44.2176.9-74.7-15.8000112.3K314 A322 F324 F328 V329 D330K314-N326 WeakPolarHBondContact CE-OD1 3.4Å; A322-N326 VanDerWaalsContact O-CB 3.26Å; A322-N326 WeakPolarHBondContact O-CB 3.29Å; A322-N326 PolarHBondContact O-N 2.72Å; A322-N326 PolarHBondContact O-ND2 3.09Å; A322-N326 PolarHBondContact O-OD1 2.93Å; F324-N326 VanDerWaalsContact C-N 3.31Å; F324-N326 PolarHBondContact O-N 3.11Å; N326-F328 VanDerWaalsContact C-N 3.3Å; N326-F328 PolarHBondContact O-N 2.79Å; N326-V329 PolarHBondContact O-N 3.16Å; N326-V329 VanDerWaalsContact O-N 3.13Å; N326-D330 VanDerWaalsContact O-CG 3.24Å; N326-D330 PolarHBondContact O-N 3.3Å
327R29.2Very low45.4Very low201 Ų20195.7 Ų95.776%0.75846%0.462SS*.Hα-helixtrans-61-37.9179.9-164.1172.7-177.4-174.80.5112.8R323 F324 C325 T331R323-R327 PolarHBondContact O-N 3.39Å; F324-R327 PolarHBondContact O-N 3.18Å; C325-R327 PolarHBondContact O-N 3.32Å; R327-T331 PolarHBondContact O-OG1 3.39Å
328F33.3Very low47.8Very low97 Ų9786 Ų8643%0.42543%0.428SS..Hα-helixtrans-79-35.2174.2-79-81000112.7F324 C325 N326 D330 T331 W332F324-F328 HydrophobicContact CD1-CD2 4.4Å; F324-F328 HydrophobicContact CD1-CE2 4.47Å; F324-F328 HydrophobicContact CE1-CD2 4.05Å; F324-F328 AromaticContact CE1-CE2 3.77Å; F324-F328 HydrophobicContact CE1-CE2 3.77Å; F324-F328 HydrophobicContact CE2-CE2 4.02Å; F324-F328 HydrophobicContact CZ-CD2 4.23Å; F324-F328 AromaticContact CZ-CE2 3.52Å; F324-F328 HydrophobicContact CZ-CE2 3.52Å; F324-F328 HydrophobicContact CZ-CZ 4.45Å; F324-F328 PolarHBondContact O-N 3.46Å; C325-F328 PolarHBondContact O-N 2.82Å; N326-F328 VanDerWaalsContact C-N 3.3Å; N326-F328 PolarHBondContact O-N 2.79Å; F328-D330 VanDerWaalsContact C-N 3.33Å; F328-D330 PolarHBondContact O-N 3.18Å; F328-T331 WeakPolarHBondContact O-CB 3.39Å; F328-T331 PolarHBondContact O-N 2.98Å; F328-W332 PolarHBondContact O-N 3.49Å
329V38.2Very low50.3Low9 Ų979.2 Ų79.26%0.05538%0.383CS..Hα-helixtrans-67-36.7177.4175.90000111K310 K314 C325 N326 T331 W332 A333K310-V329 HydrophobicContact CB-CG2 3.99Å; K314-V329 HydrophobicContact CD-CB 4.34Å; K314-V329 HydrophobicContact CD-CG1 3.89Å; K314-V329 HydrophobicContact CD-CG2 4.34Å; K314-V329 VanDerWaalsContact CE-CG1 3.43Å; C325-V329 WeakPolarHBondContact O-CB 3.46Å; C325-V329 WeakPolarHBondContact O-CG2 3.38Å; C325-V329 PolarHBondContact O-N 3.09Å; N326-V329 PolarHBondContact O-N 3.16Å; N326-V329 VanDerWaalsContact O-N 3.13Å; V329-T331 PolarHBondContact O-N 3.18Å; V329-W332 PolarHBondContact O-N 3.34Å; V329-W332 VanDerWaalsContact O-N 3.1Å; V329-A333 HydrophobicContact CG1-CB 4.05Å; V329-A333 WeakPolarHBondContact O-CB 3.13Å; V329-A333 PolarHBondContact O-N 3.23Å
330D41.5Very low52.3Low96 Ų9677.6 Ų77.651%0.51337%0.366SS..Hα-helixtrans-64.6-28.4176-67.3-16.1000112.2K314 N326 F328 W332K314-D330 IonicContact NZ-OD1 3.53Å; N326-D330 VanDerWaalsContact O-CG 3.24Å; N326-D330 PolarHBondContact O-N 3.3Å; F328-D330 VanDerWaalsContact C-N 3.33Å; F328-D330 PolarHBondContact O-N 3.18Å; D330-W332 VanDerWaalsContact C-N 3.34Å
331T39.9Very low54.5Low70 Ų7079.2 Ų79.243%0.42936%0.363SS..Hα-helixtrans-69.9-31.8175.7-49.50000112.1R327 F328 V329R327-T331 PolarHBondContact O-OG1 3.39Å; F328-T331 WeakPolarHBondContact O-CB 3.39Å; F328-T331 PolarHBondContact O-N 2.98Å; V329-T331 PolarHBondContact O-N 3.18Å
332W47.8Very low57.1Low50 Ų5074.9 Ų74.919%0.18935%0.35CS..Hα-helixtrans-105.3-26.8-173.6-70.574.5000113.7V307 F328 V329 D330 R334 V339 H342V307-W332 HydrophobicContact CG2-CE3 4.47Å; F328-W332 PolarHBondContact O-N 3.49Å; V329-W332 PolarHBondContact O-N 3.34Å; V329-W332 VanDerWaalsContact O-N 3.1Å; D330-W332 VanDerWaalsContact C-N 3.34Å; W332-R334 VanDerWaalsContact C-N 3.28Å; W332-R334 PolarHBondContact O-N 2.87Å; W332-V339 HydrophobicContact CE3-CB 4.2Å; W332-V339 HydrophobicContact CE3-CG1 4.26Å; W332-V339 HydrophobicContact CE3-CG2 3.59Å; W332-V339 HydrophobicContact CZ3-CB 4.11Å; W332-V339 HydrophobicContact CZ3-CG1 4Å; W332-V339 HydrophobicContact CZ3-CG2 4.03Å; W332-H342 HydrophobicContact CH2-CB 3.57Å; W332-H342 AromaticContact CH2-CD2 3.64Å; W332-H342 AromaticContact CH2-CE1 3.74Å; W332-H342 AromaticContact CH2-CG 3.26Å; W332-H342 AromaticContact CH2-ND1 3.34Å; W332-H342 VanDerWaalsContact CH2-ND1 3.34Å; W332-H342 WeakPolarHBondContact CH2-ND1 3.46Å; W332-H342 AromaticContact CH2-NE2 3.92Å; W332-H342 AromaticContact CZ2-CD2 3.76Å; W332-H342 AromaticContact CZ2-CE1 3.45Å; W332-H342 VanDerWaalsContact CZ2-CE1 3.45Å; W332-H342 WeakPolarHBondContact CZ2-CE1 3.34Å; W332-H342 AromaticContact CZ2-CG 3.76Å; W332-H342 AromaticContact CZ2-ND1 3.56Å; W332-H342 AromaticContact CZ2-NE2 3.57Å; W332-H342 HydrophobicContact CZ3-CB 4.23Å
333A48.5Very low59.6Low57 Ų5773.3 Ų73.347%0.47134%0.337SS..Hα-helixtrans-79.1-10.3-179.500000113.2V329V329-A333 HydrophobicContact CG1-CB 4.05Å; V329-A333 WeakPolarHBondContact O-CB 3.13Å; V329-A333 PolarHBondContact O-N 3.23Å
334R54.8Low62.2Low196 Ų19667.4 Ų67.474%0.7432%0.315SS*.SBendtrans-125.5-0.6-177.5-84.8-173.4173.3-157.5-2.9115.8R63 W332R63-R334 PolarHBondContact NH2-O 2.54Å; W332-R334 VanDerWaalsContact C-N 3.28Å; W332-R334 PolarHBondContact O-N 2.87Å
335D75.1Confident65Low37 Ų3764.4 Ų64.420%0.19831%0.311CS..  trans-138.784.3180-160.356.4000112.1R63 D337 T338 V339R63-D335 IonicContact NH2-OD1 3.93Å; R63-D335 PolarHBondContact NH2-OD1 3.33Å; D335-D337 PolarHBondContact O-N 3.21Å; D335-T338 WeakPolarHBondContact O-CB 3.25Å; D335-T338 PolarHBondContact O-N 3.26Å; D335-T338 VanDerWaalsContact OD2-CB 3.27Å; D335-T338 WeakPolarHBondContact OD2-CB 3.49Å; D335-T338 PolarHBondContact OD2-N 3.24Å; D335-T338 PolarHBondContact OD2-OG1 2.7Å; D335-V339 PolarHBondContact O-N 3.02Å
336E82.1Confident67.7Low45 Ų4565.4 Ų65.421%0.2132%0.318CS..Hα-helixtrans-50.7-38.1173.3-58.3-177.4166.800111.2L281 T338 V339 L340L281-E336 HydrophobicContact CB-CG 4.23Å; L281-E336 HydrophobicContact CD1-CB 4.39Å; L281-E336 PolarHBondContact N-OE1 3.13Å; L281-E336 VanDerWaalsContact N-OE1 3.09Å; E336-T338 VanDerWaalsContact C-N 3.3Å; E336-T338 PolarHBondContact O-N 3.35Å; E336-V339 WeakPolarHBondContact O-CB 3.38Å; E336-V339 PolarHBondContact O-N 3.42Å; E336-V339 VanDerWaalsContact O-N 3.1Å; E336-L340 VanDerWaalsContact O-CD2 3.27Å; E336-L340 WeakPolarHBondContact O-CD2 3.33Å; E336-L340 PolarHBondContact O-N 3.38Å
337D86Confident70.3Confident42 Ų4263.1 Ų63.123%0.22531%0.305CS..Hα-helixtrans-57.8-38.9175.3-82.2-19.3000113.1R284 D335 L340 K341R284-D337 IonicContact CZ-OD1 3.85Å; R284-D337 IonicContact NH1-OD1 3.8Å; R284-D337 PolarHBondContact NH1-OD1 3.45Å; D335-D337 PolarHBondContact O-N 3.21Å; D337-L340 PolarHBondContact O-N 3.44Å; D337-K341 WeakPolarHBondContact O-CB 3.47Å; D337-K341 VanDerWaalsContact O-CG 3.22Å; D337-K341 WeakPolarHBondContact O-CG 3.42Å; D337-K341 PolarHBondContact O-N 2.83Å
338T86.1Confident73.2Confident28 Ų2859.1 Ų59.117%0.17229%0.293CS..Hα-helixtrans-67.5-39.8175.6-71.40000111.4D335 E336 L340 K341 H342D335-T338 WeakPolarHBondContact O-CB 3.25Å; D335-T338 PolarHBondContact O-N 3.26Å; D335-T338 VanDerWaalsContact OD2-CB 3.27Å; D335-T338 WeakPolarHBondContact OD2-CB 3.49Å; D335-T338 PolarHBondContact OD2-N 3.24Å; D335-T338 PolarHBondContact OD2-OG1 2.7Å; E336-T338 VanDerWaalsContact C-N 3.3Å; E336-T338 PolarHBondContact O-N 3.35Å; T338-L340 VanDerWaalsContact C-N 3.33Å; T338-L340 PolarHBondContact O-N 3.06Å; T338-K341 PolarHBondContact O-N 3.13Å; T338-H342 PolarHBondContact O-N 2.98Å; T338-H342 PolarHBondContact O-ND1 3.07Å
339V86.9Confident75.8Confident0 Ų061.6 Ų61.60%030%0.304CS..Hα-helixtrans-59.2-47.7174.8-173.60000110.4L281 I303 W332 D335 E336 K341 H342 L343L281-V339 HydrophobicContact CD1-CB 4.1Å; L281-V339 HydrophobicContact CD1-CG1 3.99Å; L281-V339 HydrophobicContact CD1-CG2 4.47Å; L281-V339 HydrophobicContact CD2-CB 4.5Å; L281-V339 HydrophobicContact CD2-CG1 4.16Å; L281-V339 HydrophobicContact CD2-CG2 4.19Å; I303-V339 HydrophobicContact CG2-CG1 3.4Å; W332-V339 HydrophobicContact CE3-CB 4.2Å; W332-V339 HydrophobicContact CE3-CG1 4.26Å; W332-V339 HydrophobicContact CE3-CG2 3.59Å; W332-V339 HydrophobicContact CZ3-CB 4.11Å; W332-V339 HydrophobicContact CZ3-CG1 4Å; W332-V339 HydrophobicContact CZ3-CG2 4.03Å; D335-V339 PolarHBondContact O-N 3.02Å; E336-V339 WeakPolarHBondContact O-CB 3.38Å; E336-V339 PolarHBondContact O-N 3.42Å; E336-V339 VanDerWaalsContact O-N 3.1Å; V339-K341 PolarHBondContact O-N 2.95Å; V339-H342 WeakPolarHBondContact O-CB 3.45Å; V339-H342 PolarHBondContact O-N 3.31Å; V339-L343 PolarHBondContact O-N 2.94Å
340L90.9Very high77.8Confident1 Ų164.9 Ų64.91%0.00532%0.321CS..Hα-helixtrans-70.9-31-177.7-84.1-67.1000112.3Y99 L281 R284 L285 V288 E336 D337 T338 L343 R344Y99-L340 HydrophobicContact CD1-CD1 4.33Å; L281-L340 HydrophobicContact CD1-CD2 3.43Å; L281-L340 VanDerWaalsContact CD1-CD2 3.43Å; R284-L340 HydrophobicContact CB-CD2 4.26Å; L285-L340 HydrophobicContact CD2-CD1 4.1Å; L285-L340 HydrophobicContact CD2-CD2 4.15Å; V288-L340 HydrophobicContact CG2-CD1 3.73Å; E336-L340 VanDerWaalsContact O-CD2 3.27Å; E336-L340 WeakPolarHBondContact O-CD2 3.33Å; E336-L340 PolarHBondContact O-N 3.38Å; D337-L340 PolarHBondContact O-N 3.44Å; T338-L340 VanDerWaalsContact C-N 3.33Å; T338-L340 PolarHBondContact O-N 3.06Å; L340-L343 HydrophobicContact CD1-CD2 3.87Å; L340-L343 PolarHBondContact O-N 3.26Å; L340-R344 WeakPolarHBondContact O-CB 3.41Å; L340-R344 PolarHBondContact O-N 3.37Å
341K91.4Very high79.7Confident136 Ų13664.8 Ų64.859%0.59132%0.324SS*.Hα-helixtrans-62.3-43.4168.5-76.6168.5-171.6167.40111.9D337 T338 V339 R344 A345D337-K341 WeakPolarHBondContact O-CB 3.47Å; D337-K341 VanDerWaalsContact O-CG 3.22Å; D337-K341 WeakPolarHBondContact O-CG 3.42Å; D337-K341 PolarHBondContact O-N 2.83Å; T338-K341 PolarHBondContact O-N 3.13Å; V339-K341 PolarHBondContact O-N 2.95Å; K341-R344 PolarHBondContact O-N 2.87Å; K341-A345 WeakPolarHBondContact O-CB 3.5Å; K341-A345 PolarHBondContact O-N 2.83Å
342H89.7Confident81.6Confident92 Ų9270.4 Ų70.443%0.42634%0.337SS..Hα-helixtrans-66.5-40.7176.4-76.288.3000112W332 T338 V339 R344 A345 S346W332-H342 HydrophobicContact CH2-CB 3.57Å; W332-H342 AromaticContact CH2-CD2 3.64Å; W332-H342 AromaticContact CH2-CE1 3.74Å; W332-H342 AromaticContact CH2-CG 3.26Å; W332-H342 AromaticContact CH2-ND1 3.34Å; W332-H342 VanDerWaalsContact CH2-ND1 3.34Å; W332-H342 WeakPolarHBondContact CH2-ND1 3.46Å; W332-H342 AromaticContact CH2-NE2 3.92Å; W332-H342 AromaticContact CZ2-CD2 3.76Å; W332-H342 AromaticContact CZ2-CE1 3.45Å; W332-H342 VanDerWaalsContact CZ2-CE1 3.45Å; W332-H342 WeakPolarHBondContact CZ2-CE1 3.34Å; W332-H342 AromaticContact CZ2-CG 3.76Å; W332-H342 AromaticContact CZ2-ND1 3.56Å; W332-H342 AromaticContact CZ2-NE2 3.57Å; W332-H342 HydrophobicContact CZ3-CB 4.23Å; T338-H342 PolarHBondContact O-N 2.98Å; T338-H342 PolarHBondContact O-ND1 3.07Å; V339-H342 WeakPolarHBondContact O-CB 3.45Å; V339-H342 PolarHBondContact O-N 3.31Å; H342-R344 VanDerWaalsContact C-N 3.34Å; H342-R344 PolarHBondContact O-N 3.15Å; H342-A345 PolarHBondContact O-N 3.12Å; H342-S346 WeakPolarHBondContact O-CB 3.26Å; H342-S346 PolarHBondContact O-N 3.35Å
343L90.8Very high82.8Confident0 Ų075.4 Ų75.40%036%0.36CS..Hα-helixtrans-56.7-50.5172.3-179.562000110.5Y99 L285 V288 P299 I300 I303 V339 L340 A345 S346 M347Y99-L343 HydrophobicContact CE1-CB 4.36Å; Y99-L343 HydrophobicContact CE1-CD2 4.07Å; Y99-L343 HydrophobicContact CE1-CG 4.01Å; L285-L343 HydrophobicContact CD2-CD2 3.82Å; V288-L343 HydrophobicContact CB-CD2 4.37Å; V288-L343 HydrophobicContact CG1-CD2 3.91Å; P299-L343 HydrophobicContact CB-CD1 3.58Å; I300-L343 HydrophobicContact CD1-CD2 4.46Å; I300-L343 HydrophobicContact CG1-CD1 3.82Å; I300-L343 HydrophobicContact CG1-CD2 3.79Å; I300-L343 HydrophobicContact CG1-CG 4.49Å; I303-L343 HydrophobicContact CD1-CB 3.47Å; I303-L343 VanDerWaalsContact CD1-CB 3.47Å; I303-L343 HydrophobicContact CD1-CD1 3.74Å; I303-L343 HydrophobicContact CD1-CG 4.17Å; V339-L343 PolarHBondContact O-N 2.94Å; L340-L343 HydrophobicContact CD1-CD2 3.87Å; L340-L343 PolarHBondContact O-N 3.26Å; L343-A345 VanDerWaalsContact C-N 3.31Å; L343-A345 PolarHBondContact O-N 3.48Å; L343-S346 WeakPolarHBondContact O-CA 3.46Å; L343-S346 WeakPolarHBondContact O-CB 3.49Å; L343-S346 PolarHBondContact O-N 2.79Å; L343-M347 HydrophobicContact CD1-CG 4.32Å; L343-M347 HydrophobicContact CG-CG 4.47Å; L343-M347 WeakPolarHBondContact O-CG 3.35Å; L343-M347 PolarHBondContact O-N 2.89Å
344R92.6Very high83.6Confident67 Ų6779.5 Ų79.525%0.25337%0.367SS..Hα-helixtrans-59.3-40.6179-165.7170.2179.6177.2-6.9112.8D96 Y99 L340 K341 H342 M347 K348D96-R344 IonicContact OD1-CZ 2.6Å; D96-R344 VanDerWaalsContact OD1-CZ 3.32Å; D96-R344 IonicContact OD1-NH1 2.79Å; D96-R344 IonicContact OD1-NH2 3.34Å; D96-R344 PolarHBondContact OD1-NH2 3.07Å; D96-R344 IonicContact OD2-NH2 3.86Å; Y99-R344 HydrophobicContact CD1-CB 3.61Å; Y99-R344 HydrophobicContact CD1-CG 4Å; Y99-R344 HydrophobicContact CD2-CG 4.27Å; Y99-R344 HydrophobicContact CE1-CB 3.58Å; Y99-R344 HydrophobicContact CE1-CG 4.01Å; Y99-R344 HydrophobicContact CE2-CG 4.31Å; Y99-R344 HydrophobicContact CG-CB 4.21Å; Y99-R344 HydrophobicContact CG-CG 4.13Å; L340-R344 WeakPolarHBondContact O-CB 3.41Å; L340-R344 PolarHBondContact O-N 3.37Å; K341-R344 PolarHBondContact O-N 2.87Å; H342-R344 VanDerWaalsContact C-N 3.34Å; H342-R344 PolarHBondContact O-N 3.15Å; R344-M347 PolarHBondContact O-N 2.92Å; R344-K348 WeakPolarHBondContact O-CG 3.42Å; R344-K348 PolarHBondContact O-N 2.95Å
345A91.6Very high83.8Confident48 Ų4873.1 Ų73.140%0.39736%0.363SS..Hα-helixtrans-65.9-39.1175.200000111.9K341 H342 L343 K349K341-A345 WeakPolarHBondContact O-CB 3.5Å; K341-A345 PolarHBondContact O-N 2.83Å; H342-A345 PolarHBondContact O-N 3.12Å; L343-A345 VanDerWaalsContact C-N 3.31Å; L343-A345 PolarHBondContact O-N 3.48Å; A345-K349 WeakPolarHBondContact O-CG 3.28Å; A345-K349 PolarHBondContact O-N 2.82Å; A345-K349 VanDerWaalsContact O-N 3.15Å
346S89.1Confident83Confident43 Ų4377.8 Ų77.830%0.30139%0.388SS..Hα-helixtrans-63.9-43.5175-167.70000111.7H342 L343 K349 L350H342-S346 WeakPolarHBondContact O-CB 3.26Å; H342-S346 PolarHBondContact O-N 3.35Å; L343-S346 WeakPolarHBondContact O-CA 3.46Å; L343-S346 WeakPolarHBondContact O-CB 3.49Å; L343-S346 PolarHBondContact O-N 2.79Å; S346-K349 WeakPolarHBondContact O-CB 3.37Å; S346-K349 PolarHBondContact O-N 3.04Å; S346-L350 PolarHBondContact O-N 3.05Å
347M90.6Very high81.2Confident10 Ų1081.5 Ų81.55%0.04941%0.408CS..Hα-helixtrans-62-47.8177.4-73.1-69-73.400111.4Y99 E292 Q295 A296 P299 L343 R344 K349 L350 T351Y99-M347 WeakPolarHBondContact OH-CG 3.27Å; E292-M347 HydrophobicContact CB-CE 4.11Å; E292-M347 HydrophobicContact CG-CE 4.22Å; Q295-M347 HydrophobicContact CB-CE 4.33Å; A296-M347 HydrophobicContact CB-CE 3.94Å; A296-M347 HydrophobicContact CB-SD 4.25Å; P299-M347 HydrophobicContact CB-CG 4.49Å; P299-M347 HydrophobicContact CB-SD 4.09Å; P299-M347 HydrophobicContact CG-SD 3.69Å; L343-M347 HydrophobicContact CD1-CG 4.32Å; L343-M347 HydrophobicContact CG-CG 4.47Å; L343-M347 WeakPolarHBondContact O-CG 3.35Å; L343-M347 PolarHBondContact O-N 2.89Å; R344-M347 PolarHBondContact O-N 2.92Å; M347-K349 VanDerWaalsContact C-N 3.26Å; M347-K349 PolarHBondContact O-N 2.79Å; M347-L350 WeakPolarHBondContact O-CB 3.21Å; M347-L350 PolarHBondContact O-N 2.86Å; M347-T351 PolarHBondContact O-N 3.04Å; M347-T351 PolarHBondContact O-OG1 3.36Å; M347-T351 VanDerWaalsContact O-OG1 3.07Å
348K89.5Confident79Confident118 Ų11884.5 Ų84.551%0.51343%0.43SS..Hα-helixtrans-57.3-37.2174.7-74-179.8178.7-174.30113.2R344 R352R344-K348 WeakPolarHBondContact O-CG 3.42Å; R344-K348 PolarHBondContact O-N 2.95Å; K348-R352 WeakPolarHBondContact O-CG 3.46Å; K348-R352 PolarHBondContact O-N 3Å
349K87.7Confident76.8Confident148 Ų14888.7 Ų88.764%0.64346%0.458SS*.Hα-helixtrans-67.1-38.3175.8-73.5176.9-178.6-173.90111.8A345 S346 M347 K353A345-K349 WeakPolarHBondContact O-CG 3.28Å; A345-K349 PolarHBondContact O-N 2.82Å; A345-K349 VanDerWaalsContact O-N 3.15Å; S346-K349 WeakPolarHBondContact O-CB 3.37Å; S346-K349 PolarHBondContact O-N 3.04Å; M347-K349 VanDerWaalsContact C-N 3.26Å; M347-K349 PolarHBondContact O-N 2.79Å; K349-K353 WeakPolarHBondContact O-CG 3.22Å; K349-K353 PolarHBondContact O-N 2.93Å
350L81.5Confident74.6Confident78 Ų7894.6 Ų94.641%0.40850%0.497SS..Hα-helixtrans-66.7-44.3177.2-172.565.4000111.4P299 S346 M347 R352 K353 K354P299-L350 HydrophobicContact CG-CD2 4.41Å; S346-L350 PolarHBondContact O-N 3.05Å; M347-L350 WeakPolarHBondContact O-CB 3.21Å; M347-L350 PolarHBondContact O-N 2.86Å; L350-R352 VanDerWaalsContact C-N 3.32Å; L350-R352 PolarHBondContact O-N 2.89Å; L350-K353 PolarHBondContact O-N 2.69Å; L350-K354 PolarHBondContact O-N 3.48Å
351T81.4Confident71.9Confident95 Ų9599.2 Ų99.258%0.58354%0.535SS*.Hα-helixtrans-60.8-39.9177.3-45.10000112.1M347 K354 G355M347-T351 PolarHBondContact O-N 3.04Å; M347-T351 PolarHBondContact O-OG1 3.36Å; M347-T351 VanDerWaalsContact O-OG1 3.07Å; T351-K354 PolarHBondContact O-N 2.93Å; T351-G355 PolarHBondContact O-N 3.36Å
352R79.1Confident69.2Low188 Ų188101.9 Ų101.971%0.70955%0.546SS*.Hα-helixtrans-61.1-50.7175.1-74.2177.8179.6-170.6-2.7111.7K348 L350 K354 G355 D356K348-R352 WeakPolarHBondContact O-CG 3.46Å; K348-R352 PolarHBondContact O-N 3Å; L350-R352 VanDerWaalsContact C-N 3.32Å; L350-R352 PolarHBondContact O-N 2.89Å; R352-K354 PolarHBondContact O-N 3.18Å; R352-G355 WeakPolarHBondContact O-CA 3.32Å; R352-G355 PolarHBondContact O-N 2.94Å; R352-D356 PolarHBondContact O-N 3.42Å
353K72.8Confident66.7Low154 Ų154103.3 Ų103.367%0.6756%0.564SS**Hα-helixtrans-59.3-32.8178.5-72.4-173.9174.8-163.50113.6K349 L350K349-K353 WeakPolarHBondContact O-CG 3.22Å; K349-K353 PolarHBondContact O-N 2.93Å; L350-K353 PolarHBondContact O-N 2.69Å
354K66.1Low64Low143 Ų143112.1 Ų112.162%0.62261%0.605SS**Hα-helixtrans-73.7-28.5176.4-163.2171.5-177.9178.50112.4L350 T351 R352L350-K354 PolarHBondContact O-N 3.48Å; T351-K354 PolarHBondContact O-N 2.93Å; R352-K354 PolarHBondContact O-N 3.18Å
355G59.5Low61.2Low63 Ų63118.4 Ų118.465%0.64964%0.637SS**Hα-helixtrans-75.7-21.2173.600000114.3T351 R352T351-G355 PolarHBondContact O-N 3.36Å; R352-G355 WeakPolarHBondContact O-CA 3.32Å; R352-G355 PolarHBondContact O-N 2.94Å
356D58.6Low58.5Low134 Ų134119.5 Ų119.572%0.71765%0.654SS**THydrogen-bonded Turntrans-86.8-2.6179.4-60.5-35.5000113.4R352R352-D356 PolarHBondContact O-N 3.42Å
357L42.9Very low55.9Low123 Ų123122.6 Ų122.664%0.64468%0.675SS**SBendtrans-82.2130.5177.2-81.3159.6000110.5
358P39.9Very low53.2Low105 Ų105127.8 Ų127.868%0.68271%0.712SS**PPolyproline II helixtrans-61145.6172.825.5-32.1000110.2
359P41Very low50.7Low116 Ų116126.5 Ų126.575%0.75372%0.723SS**PPolyproline II helixtrans-56.9142.5175.923.7-32.1000110A361P359-A361 PolarHBondContact O-N 3.03Å
360P41Very low48Very low125 Ų125125.6 Ų125.681%0.81274%0.736SS**PPolyproline II helixtrans-57.1135.2176.923.3-31.5000109.5K362P360-K362 PolarHBondContact O-N 3.44Å
361A33.5Very low45.8Very low98 Ų98133 Ų13381%0.8176%0.758SS**PPolyproline II helixtrans-51.2130.2177.800000109.6P359P359-A361 PolarHBondContact O-N 3.03Å
362K35.4Very low43.7Very low191 Ų191134.3 Ų134.383%0.8377%0.769SS**PPolyproline II helixtrans-55.2135.5171.9-71.1-179.1178.8178.50107.6P360 E364P360-K362 PolarHBondContact O-N 3.44Å; K362-E364 PolarHBondContact O-N 2.79Å
363P37.2Very low41.8Very low122 Ų122131.9 Ų131.979%0.79277%0.774SS**PPolyproline II helixtrans-59.2118.917014.7-14.4000107.3Q365P363-Q365 PolarHBondContact O-N 2.81Å
364E33.7Very low40.1Very low185 Ų185130.3 Ų130.386%0.86478%0.78SS**PPolyproline II helixtrans-52.6128.5173.2-71.4-169.5144.600108.4K362 G366K362-E364 PolarHBondContact O-N 2.79Å; E364-G366 PolarHBondContact O-N 3.5Å
365Q33.3Very low38.5Very low199 Ų199128.6 Ų128.693%0.9379%0.792SS**  trans-6786.2165.1-78.1-172.3-14.200107.5P363 S367P363-Q365 PolarHBondContact O-N 2.81Å; Q365-S367 PolarHBondContact O-N 3.24Å
366G34.6Very low37.5Very low72 Ų72131.6 Ų131.674%0.74280%0.803SS**  trans-65.4102.5170.300000109.2E364E364-G366 PolarHBondContact O-N 3.5Å
367S35.9Very low36.6Very low107 Ų107137.2 Ų137.275%0.74882%0.815SS**  trans-41.3134.1171.3-175.70000112.9Q365 A369Q365-S367 PolarHBondContact O-N 3.24Å; S367-A369 PolarHBondContact O-N 3.37Å
368S33.2Very low36.2Very low120 Ų120135.4 Ų135.484%0.83983%0.825SS**  trans-60.8107169.752.40000111
369A36.2Very low36.1Very low90 Ų90134.2 Ų134.274%0.74483%0.832SS**  trans-145.3103.6159.600000109S367S367-A369 PolarHBondContact O-N 3.37Å
370S32.4Very low35.8Very low129 Ų129138.4 Ų138.490%0.90284%0.838SS**  trans-65129.2170.937.30000110.1
371R34.8Very low35.5Very low234 Ų234139.7 Ų139.788%0.88384%0.844SS**  trans-128.2123.8164.1-160.9175.4-173.4-168.61.5108.8
372P36.6Very low35.5Very low123 Ų123142.5 Ų142.580%0.79985%0.845SS**  trans-85.3143.7-176.331.7-29000111.2
373V39.6Very low35.5Very low136 Ų136139.8 Ų139.882%0.82485%0.848SS**  trans-121.2137.9169.2178.20000108.7
374P37.5Very low35.3Very low122 Ų122142.9 Ų142.979%0.79285%0.849SS**  trans-86.1157.6-161.8-4.124.4000114.3
375A32.4Very low35.3Very low107 Ų107137.8 Ų137.888%0.88485%0.846SS**  trans-70.6147.9179.600000114.3
376S38.5Very low35.2Very low126 Ų126134.9 Ų134.988%0.88184%0.838SS**  trans-131.2143.8157-169.10000110.9
377R38.4Very low35.2Very low252 Ų252143.4 Ų143.495%0.95185%0.847SS**  trans-88.4156.6-164.9-75.5174.8166.3-167.8-2.7113.5
378G36.3Very low35Very low84 Ų84147.9 Ų147.987%0.86686%0.856SS**  trans116.7132.7152.600000112.6
379G36.3Very low35.2Very low80 Ų80146.3 Ų146.383%0.82585%0.851SS**  cis-165.71666.500000108.6
380K34.9Very low35.2Very low204 Ų204147.8 Ų147.889%0.88785%0.853SS**  trans-84.2142-164.5-52.3158178.1178.20112
381T36.1Very low35.4Very low153 Ų153148 Ų14894%0.93985%0.851SS**  -159.5144.2127.9-12.20000113
382L32.5Very low35.3Very low156 Ų156140 Ų14082%0.81784%0.841SS**  trans-95.2145.5-169.7-177.482.5000110.8
383C35Very low35.2Very low134 Ų134140 Ų14091%0.90584%0.841SS**  trans-165.1127.3140.2-101.40000111.5
384K33.3Very low34.8Very low187 Ų187139 Ų13981%0.81384%0.838SS**  trans-78.4152.6-178.5-115.6-178.1172.2-168.80111.5
385G33.5Very low34.5Very low78 Ų78137.2 Ų137.280%0.80483%0.833SS**  trans-169.889165.800000111.4
386D31.1Very low34.4Very low139 Ų139143 Ų14374%0.74383%0.833SS**  trans-68.4129175.1-69.8-55.4000111.6
387R34.6Very low33.9Very low250 Ų250145.1 Ų145.194%0.94383%0.826SS**  trans-147.2112.8142.9-82.9-154.8174.7178-0.9110.3
388Q32.6Very low33.5Very low201 Ų201138.6 Ų138.694%0.93982%0.816SS**  trans-75.9126175.1-138.4154.2-15.200109.2
389A35.9Very low33.1Very low88 Ų88144.7 Ų144.773%0.72781%0.813SS**  trans-105.6144.316800000109.4
390P38.1Very low32.7Very low120 Ų120146 Ų14678%0.77981%0.807SS**PPolyproline II helixtrans-73.5153.1-173.730.4-33.5000112G392P390-G392 PolarHBondContact O-N 2.81Å
391P36Very low32.4Very low133 Ų133143.1 Ų143.186%0.86480%0.8SS**PPolyproline II helixtrans-78.3118.3-176.731-30.7000111.1
392G31.3Very low31.9Very low66 Ų66144.1 Ų144.168%0.6879%0.787SS**PPolyproline II helixtrans-74.6151.4166.600000112P390P390-G392 PolarHBondContact O-N 2.81Å
393P35.1Very low31.6Very low124 Ų124141.1 Ų141.181%0.80578%0.779SS**PPolyproline II helixtrans-72152.9-16929.7-33.5000112.7A395P393-A395 PolarHBondContact O-N 3.33Å
394P30.8Very low31.3Very low115 Ų115139.6 Ų139.675%0.74778%0.775SS**  trans-82.5106.5-171.532.8-31.3000111R396P394-R396 PolarHBondContact O-N 3.44Å
395A31.2Very low31.1Very low85 Ų85136.1 Ų136.170%0.70278%0.775SS**  trans-77.276.4163.100000109.7P393 F397P393-A395 PolarHBondContact O-N 3.33Å; A395-F397 HydrophobicContact CB-CE2 4.44Å; A395-F397 PolarHBondContact O-N 3.41Å
396R30.3Very low30.9Very low229 Ų229138 Ų13886%0.86477%0.773SS**  trans-73.5100.4165.9-80-175.4177.6-170.10.3108.6P394 P398P394-R396 PolarHBondContact O-N 3.44Å; R396-P398 WeakPolarHBondContact O-CD 3.45Å
397F28.9Very low30.9Very low170 Ų170137.5 Ų137.575%0.74678%0.777SS**PPolyproline II helixtrans-77.8119.1162.6-77-81.2000109.5A395 R399A395-F397 HydrophobicContact CB-CE2 4.44Å; A395-F397 PolarHBondContact O-N 3.41Å; F397-R399 PolarHBondContact O-N 2.94Å
398P29.6Very low30.6Very low115 Ų115137.4 Ų137.475%0.74778%0.777SS**PPolyproline II helixtrans-76.5121.5164.588.7000108.2R396R396-P398 WeakPolarHBondContact O-CD 3.45Å
399R27.7Very low30.5Very low211 Ų211132.1 Ų132.180%0.79677%0.768SS**PPolyproline II helixtrans-55.9131.4168.6-69-174.7178-156.3-0.3109.5F397 I401F397-R399 PolarHBondContact O-N 2.94Å; R399-I401 PolarHBondContact O-N 3.36Å
400P28.3Very low30.2Very low109 Ų109134 Ų13471%0.70877%0.773SS**  trans-7599.4168.627.2-26.5000109W402P400-W402 PolarHBondContact O-N 3.25Å
401I27.7Very low29.7Very low142 Ų142140.3 Ų140.373%0.72878%0.781SS**  trans-69109.6165.8-63.9172.7000107.4R399 S403R399-I401 PolarHBondContact O-N 3.36Å; I401-S403 VanDerWaalsContact CG2-OG 3.31Å; I401-S403 WeakPolarHBondContact CG2-OG 2.92Å; I401-S403 PolarHBondContact O-N 3.04Å; I401-S403 VanDerWaalsContact O-N 3.15Å
402W27.5Very low29.5Very low175 Ų175139.6 Ų139.666%0.66378%0.779SS**  trans-79.385.9167.1-77.717000109.7P400P400-W402 PolarHBondContact O-N 3.25Å
403S25.5Very low29.3Very low93 Ų93141.3 Ų141.365%0.6578%0.78SS**  trans-165.398.3162.358.40000111.2I401I401-S403 VanDerWaalsContact CG2-OG 3.31Å; I401-S403 WeakPolarHBondContact CG2-OG 2.92Å; I401-S403 PolarHBondContact O-N 3.04Å; I401-S403 VanDerWaalsContact O-N 3.15Å
404A28.6Very low29.1Very low101 Ų101141.9 Ų141.984%0.83578%0.782SS**  trans179.1112.514400000108.9
405S28.5Very low29Very low114 Ų114141.5 Ų141.580%0.79778%0.779SS**PPolyproline II helixtrans-62.8140.6163.7-53.30000109.5
406P30.7Very low29Very low117 Ų117143.8 Ų143.876%0.7679%0.788SS**PPolyproline II helixtrans-69.3146.717228.7-31.5000110.1
407P30.4Very low29.1Very low129 Ų129138.7 Ų138.784%0.83879%0.785SS**PPolyproline II helixtrans-70133.8-178.827.6-30.5000110.9A409P407-A409 PolarHBondContact O-N 2.73Å
408R28.7Very low29.2Very low249 Ų249134.6 Ų134.694%0.9479%0.791SS**PPolyproline II helixtrans-65.3124173.9-106.3-176.7-95.9-136.8-4.1110.4
409A29.2Very low29.2Very low90 Ų90132.7 Ų132.774%0.74479%0.792SS**PPolyproline II helixtrans-76.7150.2164.800000111.2P407P407-A409 PolarHBondContact O-N 2.73Å
410P30.9Very low29.3Very low128 Ų128127.3 Ų127.383%0.83179%0.792SS**PPolyproline II helixtrans-80.5145.1-165.9-5.223.8000112.8
411R26.8Very low29.2Very low252 Ų252128.7 Ų128.795%0.95180%0.799SS**PPolyproline II helixtrans-71136.2169.8-69.2177.6170.5-161.3-4.6110.5
412S31.8Very low29.3Very low118 Ų118132.8 Ų132.883%0.82581%0.805SS**  trans-111.8119.7150.7570000109.3
413S28Very low29.1Very low102 Ų102132.4 Ų132.471%0.71381%0.81SS**  trans-54.8153.7171.342.90000113.9
414T30.6Very low29.3Very low135 Ų135135.2 Ų135.283%0.82882%0.818SS**  -166.5133.3104.9-50.10000109.4
415P28.9Very low29Very low108 Ų108134.8 Ų134.870%0.70181%0.806SS**  trans-97.9155-178.736.5-30.1000112.2
416C30.9Very low28.9Very low132 Ų132139.5 Ų139.589%0.89281%0.807SS**  trans-161.4153.5147.1-100.80000112.2
417P31.8Very low28.9Very low123 Ų123139.5 Ų139.580%0.79981%0.807SS**  trans-122.5172.8-149.237.9-21.1000115
418G32Very low28.7Very low84 Ų84140.6 Ų140.687%0.86681%0.811SS**  trans100.8136.6166.300000112.8
419G28.3Very low28.7Very low74 Ų74132.1 Ų132.176%0.76380%0.801SS**  cis168.3162.75.700000107.8
420A30Very low28.6Very low98 Ų98134.2 Ų134.281%0.8181%0.805SS**  trans72.793.2163.500000119.4
421V26.7Very low28.4Very low138 Ų138137.3 Ų137.384%0.83681%0.808SS**  23.1119.2115.7-174.80000117.3
422R28.7Very low28.5Very low228 Ų228128.8 Ų128.886%0.8680%0.798SS**  -156.3123.4130-128.2-177.8175.4-169.8-3.3112.1
423E24.7Very low28.2Very low167 Ų167129.6 Ų129.678%0.7880%0.798SS**  trans-60.5139.8156.9-86.2166.3138.800109.5
424D28Very low28.3Very low153 Ų153130.2 Ų130.282%0.81880%0.8SS**  trans-138.9131.2149.6-90.2-38.5000109.7
425T24.1Very low28.1Very low92 Ų92129.2 Ų129.256%0.56480%0.798SS**  trans-107153.7-178.3-51.30000108.7
426Y26.5Very low28.3Very low212 Ų212130 Ų13083%0.83180%0.804SS**  trans88.9160.2159.8-56.3-70.3000118.5
427P30.2Very low28.1Very low117 Ų117128.4 Ų128.476%0.7680%0.8SS**  cis-134.3176.1-24.124.1-0.8000114.4
428V26.4Very low27.9Very low153 Ų153130.6 Ų130.693%0.92780%0.804SS**  trans-51.5134.3164.1173.20000112
429G29.1Very low27.7Very low70 Ų70131.5 Ų131.572%0.72280%0.803SS**  trans-178136.1173.400000112.8
430T26.6Very low27.6Very low134 Ų134137.2 Ų137.282%0.82281%0.81SS**  trans-83.5157.6-158.7-30.20000114.4
431Q26.8Very low27.3Very low194 Ų194136.6 Ų136.691%0.90781%0.813SS**  trans78.9129.2162.1-65.7-171.2-8.700119.5
432G27.4Very low27.4Very low72 Ų72133 Ų13374%0.74281%0.805SS**  trans145.485.3161.800000113.1P434G432-P434 WeakPolarHBondContact O-CD 2.77Å
433V27Very low27.7Very low135 Ų135128 Ų12882%0.81880%0.802SS**  trans-70.5139.8165.8175.20000109
434P29.7Very low28.1Very low116 Ų116129.9 Ų129.975%0.75381%0.81SS**  trans-125.6117.8145.629.1-13.2000111G432G432-P434 WeakPolarHBondContact O-CD 2.77Å
435S25.9Very low28.5Very low113 Ų113123.6 Ų123.679%0.7978%0.782SS**  trans-67138.7161-63.60000110.1
436P33.1Very low29.2Very low126 Ų126123.1 Ų123.182%0.81878%0.782SS**  trans-109.3112.7159.311.29.6000111.5
437A27.3Very low29.9Very low98 Ų98120.7 Ų120.781%0.8177%0.771SS**  trans26.9129.9141.400000121.7
438L26.7Very low30.2Very low168 Ų168120.6 Ų120.688%0.8876%0.756SS**  trans-55.2131.3161.2-82.892.9000112.3
439A27.8Very low30.7Very low103 Ų103118.8 Ų118.885%0.85174%0.736SS**  trans-104.3125.615300000108.7
440Q26.5Very low31.2Very low194 Ų194117.9 Ų117.991%0.90771%0.714SS**  trans-74.3143-173.4-63.1-169.3-14.900112.9
441G24.9Very low31.8Very low85 Ų85115.5 Ų115.588%0.87669%0.694SS**  trans135.591.9160.200000115.1
442G27.6Very low32.3Very low64 Ų64111.1 Ų111.166%0.6667%0.669SS**SBendtrans148153.717000000113.1Q444G442-Q444 PolarHBondContact O-N 2.81Å
443P36.4Very low32.8Very low123 Ų123112.9 Ų112.980%0.79966%0.661SS**  trans-60.2128.2-165.7-12.525.5000111.3G445P443-G445 PolarHBondContact O-N 3.23Å
444Q31.7Very low33.2Very low206 Ų206110.4 Ų110.496%0.96365%0.65SS**  trans-61.589.5-178-89-176.8-12.400111.6G442G442-Q444 PolarHBondContact O-N 2.81Å
445G36.9Very low33.5Very low21 Ų21107.8 Ų107.822%0.21663%0.628CS.*  trans-78.1112.2156.600000108.5P443 W447P443-G445 PolarHBondContact O-N 3.23Å; G445-W447 VanDerWaalsContact O-CD1 3.24Å; G445-W447 PolarHBondContact O-N 3.01Å
446S37.9Very low33.8Very low82 Ų82108.5 Ų108.557%0.57363%0.631SS**  trans-62.2127.5171.6169.50000108.9A482S446-A482 WeakPolarHBondContact O-CA 3.49Å; S446-A482 WeakPolarHBondContact O-CB 3.49Å; S446-A482 PolarHBondContact O-N 2.68Å
447W42.1Very low33.7Very low160 Ų160111.8 Ų111.861%0.60663%0.627SS**EExtended strand (participates in β ladder)trans-96.1132174.6-69.686.8000108.8G445 W479 R481G445-W447 VanDerWaalsContact O-CD1 3.24Å; G445-W447 PolarHBondContact O-N 3.01Å; W447-W479 HydrophobicContact CB-CE3 3.85Å; W447-W479 HydrophobicContact CB-CZ3 4.18Å; W447-W479 HydrophobicContact CE3-CB 4.23Å; W447-R481 HydrophobicContact CE3-CB 4.46Å; W447-R481 HydrophobicContact CZ3-CB 4.35Å
448R35.3Very low34.3Very low116 Ų116110 Ų11044%0.43860%0.603SS.*EExtended strand (participates in β ladder)trans-116.7133.217846.8-174.9-175.5-144.71.9110.7W479 V480 A482R448-W479 WeakPolarHBondContact O-CA 3.04Å; R448-V480 VanDerWaalsContact CG-O 3.29Å; R448-V480 WeakPolarHBondContact CG-O 3Å; R448-V480 PolarHBondContact N-O 3.23Å; R448-V480 PolarHBondContact O-N 3.32Å; R448-A482 HydrophobicContact CG-CB 4Å
449F38.8Very low34.7Very low115 Ų115104.5 Ų104.550%0.50458%0.577SS.*EExtended strand (participates in β ladder)trans-84.5120.9175.7-174.8-98.6000109.1S477 W479F449-S477 WeakPolarHBondContact CZ-OG 2.93Å; F449-W479 HydrophobicContact CB-CD2 4.33Å; F449-W479 HydrophobicContact CB-CE3 4.09Å; F449-W479 HydrophobicContact CB-CH2 4.08Å; F449-W479 HydrophobicContact CB-CZ2 4.3Å; F449-W479 HydrophobicContact CB-CZ3 3.97Å; F449-W479 HydrophobicContact CD2-CD2 4.12Å; F449-W479 AromaticContact CD2-CE2 3.7Å; F449-W479 HydrophobicContact CD2-CG 4.49Å; F449-W479 AromaticContact CD2-CZ2 3.95Å; F449-W479 HydrophobicContact CD2-CZ2 3.95Å; F449-W479 AromaticContact CD2-NE1 3.81Å
450L37.9Very low35.3Very low51 Ų51104.3 Ų104.327%0.26757%0.566SS.*EExtended strand (participates in β ladder)trans-113.7122.6-175.8-89.5161.6000110.5M455 S477 C478 V480L450-M455 HydrophobicContact CD2-SD 4.44Å; L450-S477 CarbonylContact O-C 3.27Å; L450-S477 VanDerWaalsContact O-C 3.27Å; L450-S477 WeakPolarHBondContact O-CA 2.96Å; L450-S477 WeakPolarHBondContact O-CB 3.12Å; L450-C478 PolarHBondContact N-O 3.17Å; L450-C478 PolarHBondContact O-N 3.48Å; L450-V480 HydrophobicContact CD1-CB 3.86Å; L450-V480 HydrophobicContact CD1-CG2 3.44Å; L450-V480 VanDerWaalsContact CD1-CG2 3.44Å; L450-V480 HydrophobicContact CG-CG2 4.49Å
451Q39.6Very low35.8Very low83 Ų83100 Ų10039%0.38855%0.549SS..EExtended strand (participates in β ladder)trans-90120174.2-158.5177.3-900110.7N453 S454 Q476Q451-N453 VanDerWaalsContact C-N 3.27Å; Q451-N453 PolarHBondContact O-N 3.26Å; Q451-S454 WeakPolarHBondContact O-CB 3.5Å; Q451-S454 PolarHBondContact O-N 2.94Å; Q451-S454 VanDerWaalsContact O-N 3.1Å; Q451-Q476 CarbonylContact C-O 3.25Å; Q451-Q476 VanDerWaalsContact C-O 3.25Å; Q451-Q476 WeakPolarHBondContact CA-O 3.27Å; Q451-Q476 HydrophobicContact CG-CB 3.95Å; Q451-Q476 WeakPolarHBondContact CG-O 3.48Å
452W36.7Very low36.2Very low103 Ų10398.6 Ų98.639%0.3952%0.521SS..G310 helixtrans-60.8-30.7-172.9-166.5-96.1000114S454 L458 Q476W452-S454 PolarHBondContact O-N 3.13Å; W452-L458 HydrophobicContact CE3-CD2 4.48Å; W452-L458 HydrophobicContact CH2-CD2 3.04Å; W452-L458 HydrophobicContact CH2-CG 4.31Å; W452-L458 HydrophobicContact CZ2-CD1 4.29Å; W452-L458 HydrophobicContact CZ2-CD2 3.4Å; W452-L458 VanDerWaalsContact CZ2-CD2 3.4Å; W452-L458 HydrophobicContact CZ2-CG 4.29Å; W452-L458 HydrophobicContact CZ3-CD2 3.62Å; W452-Q476 PolarHBondContact N-O 3.36Å
453N39.4Very low36.5Very low108 Ų108102.5 Ų102.558%0.57853%0.527SS*.G310 helixtrans-73.4-6.8179.6-66.2-4.6000113.3Q451 Q476Q451-N453 VanDerWaalsContact C-N 3.27Å; Q451-N453 PolarHBondContact O-N 3.26Å; N453-Q476 WeakPolarHBondContact ND2-CG 3.29Å; N453-Q476 PolarHBondContact ND2-NE2 2.89Å; N453-Q476 VanDerWaalsContact ND2-NE2 3.15Å; N453-Q476 PolarHBondContact ND2-OE1 3.04Å
454S34.9Very low36.3Very low84 Ų8499.9 Ų99.959%0.58751%0.509SS*.G310 helixtrans-106.65.9-175-46.10000113.1Q451 W452Q451-S454 WeakPolarHBondContact O-CB 3.5Å; Q451-S454 PolarHBondContact O-N 2.94Å; Q451-S454 VanDerWaalsContact O-N 3.1Å; W452-S454 PolarHBondContact O-N 3.13Å
455M35Very low36Very low60 Ų6099.7 Ų99.730%0.29651%0.508SS..  trans-106.9116.4-179.1-77.6-144-65.900113.2L450 R457 P459L450-M455 HydrophobicContact CD2-SD 4.44Å; M455-R457 PolarHBondContact O-N 3.26Å; M455-P459 HydrophobicContact CE-CG 3.8Å; M455-P459 HydrophobicContact SD-CG 3.98Å
456P32.6Very low35.9Very low129 Ų129100.5 Ų100.584%0.83852%0.516SS*.SBendtrans-67.8-17.9172-17.730.1000113.7
457R32Very low35.6Very low195 Ų19599.3 Ų99.374%0.73651%0.506SS*.SBendtrans-145.7139.2-178-61.9-172.3-171.1-148.84.9110.5M455M455-R457 PolarHBondContact O-N 3.26Å
458L38.9Very low35.2Very low59 Ų5999.8 Ų99.831%0.30951%0.508SS..  trans-72.3129.7168.7-83.4160.7000109.7W452 T460W452-L458 HydrophobicContact CE3-CD2 4.48Å; W452-L458 HydrophobicContact CH2-CD2 3.04Å; W452-L458 HydrophobicContact CH2-CG 4.31Å; W452-L458 HydrophobicContact CZ2-CD1 4.29Å; W452-L458 HydrophobicContact CZ2-CD2 3.4Å; W452-L458 VanDerWaalsContact CZ2-CD2 3.4Å; W452-L458 HydrophobicContact CZ2-CG 4.29Å; W452-L458 HydrophobicContact CZ3-CD2 3.62Å; L458-T460 PolarHBondContact O-N 3.2Å; L458-T460 VanDerWaalsContact O-N 3.13Å
459P35.2Very low35.1Very low53 Ų5398.2 Ų98.234%0.34451%0.505SS..  trans-64.5113.8171.3-1628.2000108.5M455 L462M455-P459 HydrophobicContact CE-CG 3.8Å; M455-P459 HydrophobicContact SD-CG 3.98Å; P459-L462 HydrophobicContact CB-CD1 3.8Å; P459-L462 HydrophobicContact CB-CG 3.96Å; P459-L462 HydrophobicContact CG-CD1 4.07Å
460T40.7Very low34.6Very low100 Ų10098.2 Ų98.261%0.61350%0.501SS*.SBendtrans-80.4-5.1175.320.50000112.7L458L458-T460 PolarHBondContact O-N 3.2Å; L458-T460 VanDerWaalsContact O-N 3.13Å
461D36.5Very low34.3Very low103 Ų103100.6 Ų100.655%0.55151%0.511SS*.  trans-126.424.2-158.133.1-44.9000112.3
462L33.5Very low33.9Very low55 Ų55101.2 Ų101.229%0.28851%0.51SS..  trans-93.1110.1169-69167.7000109.7P459 V464 V480P459-L462 HydrophobicContact CB-CD1 3.8Å; P459-L462 HydrophobicContact CB-CG 3.96Å; P459-L462 HydrophobicContact CG-CD1 4.07Å; L462-V464 HydrophobicContact CB-CG2 3.66Å; L462-V464 PolarHBondContact O-N 3.13Å; L462-V480 HydrophobicContact CD1-CG1 4.04Å; L462-V480 HydrophobicContact CD2-CG1 3.79Å
463D34.6Very low33.5Very low146 Ų146103 Ų10378%0.78153%0.528SS*.  trans-64.684.1161.7-78.9-37.6000108.6
464V32.2Very low33.2Very low69 Ų69105 Ų10542%0.41853%0.531SS..  trans-99.895.9173.3-168.60000107.5L462 G466 W468L462-V464 HydrophobicContact CB-CG2 3.66Å; L462-V464 PolarHBondContact O-N 3.13Å; V464-G466 VanDerWaalsContact C-N 3.35Å; V464-G466 PolarHBondContact O-N 3.01Å; V464-W468 HydrophobicContact CG2-CZ2 4.06Å
465E26Very low32.9Very low202 Ų202110.4 Ų110.494%0.94454%0.539SS*.  trans-63.296.8163.9-74.4-169.5155.500108.7
466G33.4Very low33Very low38 Ų38111.6 Ų111.639%0.39254%0.544SS..SBendtrans163.7146.8173.200000113.4V464 W468V464-G466 VanDerWaalsContact C-N 3.35Å; V464-G466 PolarHBondContact O-N 3.01Å; G466-W468 PolarHBondContact O-N 3.01Å; G466-W468 VanDerWaalsContact O-N 3.13Å
467P32Very low33.1Very low56 Ų56106.4 Ų106.436%0.36451%0.511SS..  trans-70113.2174.168.7000108.2P202 F469P202-P467 HydrophobicContact CG-CG 4.24Å; P467-F469 VanDerWaalsContact C-N 3.32Å; P467-F469 HydrophobicContact CB-CD2 4.19Å; P467-F469 HydrophobicContact CB-CE2 3.68Å; P467-F469 HydrophobicContact CB-CZ 3.98Å; P467-F469 HydrophobicContact CG-CD2 4.49Å; P467-F469 HydrophobicContact CG-CE2 3.77Å; P467-F469 HydrophobicContact CG-CZ 4.31Å; P467-F469 WeakPolarHBondContact O-CD2 3.15Å; P467-F469 PolarHBondContact O-N 2.79Å
468W35Very low33.3Very low171 Ų17198.7 Ų98.765%0.64849%0.486SS*.  trans-61.891.5170.9-82.881.3000110V464 G466 R470V464-W468 HydrophobicContact CG2-CZ2 4.06Å; G466-W468 PolarHBondContact O-N 3.01Å; G466-W468 VanDerWaalsContact O-N 3.13Å; W468-R470 PolarHBondContact O-N 2.86Å
469F32.8Very low33.3Very low83 Ų83103.6 Ų103.636%0.36450%0.501SS..  trans-81.5112.2169.7-72.6-67.4000109.9P109 P467 H471P109-F469 HydrophobicContact CG-CE1 4.11Å; P109-F469 HydrophobicContact CG-CZ 4Å; P467-F469 VanDerWaalsContact C-N 3.32Å; P467-F469 HydrophobicContact CB-CD2 4.19Å; P467-F469 HydrophobicContact CB-CE2 3.68Å; P467-F469 HydrophobicContact CB-CZ 3.98Å; P467-F469 HydrophobicContact CG-CD2 4.49Å; P467-F469 HydrophobicContact CG-CE2 3.77Å; P467-F469 HydrophobicContact CG-CZ 4.31Å; P467-F469 WeakPolarHBondContact O-CD2 3.15Å; P467-F469 PolarHBondContact O-N 2.79Å; F469-H471 PolarHBondContact O-N 2.73Å
470R28.6Very low33.6Very low115 Ų115102 Ų10243%0.43449%0.49SS..  trans-6088.4159.8-73.2-171.7-169.9166.43.6109.5H48 N105 W468 Y472H48-R470 PolarHBondContact O-NH1 3.28Å; N105-R470 VanDerWaalsContact CB-O 3.29Å; N105-R470 WeakPolarHBondContact CB-O 3.41Å; W468-R470 PolarHBondContact O-N 2.86Å; R470-Y472 PolarHBondContact O-N 2.79Å
471H31.2Very low33.4Very low101 Ų101104.3 Ų104.347%0.46849%0.487SS..  trans-74.9115.2154.6-81.4-102.2000107.2K75 F469 D473 F474K75-H471 PolarHBondContact NZ-ND1 3.38Å; F469-H471 PolarHBondContact O-N 2.73Å; H471-D473 PolarHBondContact O-N 2.86Å; H471-F474 PolarHBondContact O-N 3.34Å
472Y30Very low33.6Very low96 Ų96100.2 Ų100.238%0.37647%0.467SS..THydrogen-bonded Turntrans-61.220176.9-97.6-90.2000114.7I68 I72 R470I68-Y472 HydrophobicContact CG2-CE1 4.11Å; I72-Y472 HydrophobicContact CD1-CD1 3.6Å; I72-Y472 HydrophobicContact CD1-CD2 4.41Å; I72-Y472 HydrophobicContact CD1-CE1 4.02Å; I72-Y472 HydrophobicContact CD1-CG 3.81Å; I72-Y472 HydrophobicContact CG1-CD1 4.47Å; I72-Y472 HydrophobicContact CG1-CD2 4.45Å; I72-Y472 HydrophobicContact CG1-CG 4.27Å; R470-Y472 PolarHBondContact O-N 2.79Å
473D29.1Very low33.8Very low141 Ų141101.7 Ų101.775%0.75448%0.475SS*.THydrogen-bonded Turntrans-126.79-177.3-79.8-38.6000114.8H471 R475H471-D473 PolarHBondContact O-N 2.86Å; D473-R475 PolarHBondContact O-N 3.05Å
474F32.1Very low33.8Very low149 Ų14997.3 Ų97.365%0.65446%0.456SS*.  trans-78.494.4170.6-107-73.4000110.9H471 Q476 S477H471-F474 PolarHBondContact O-N 3.34Å; F474-Q476 PolarHBondContact O-N 3.32Å; F474-S477 WeakPolarHBondContact CD1-O 3.43Å; F474-S477 WeakPolarHBondContact CE1-O 3.18Å
475R29.9Very low33.8Very low198 Ų198102.2 Ų102.275%0.74747%0.474SS*.  trans-53.6108152.2-78.6-172175.9-170.11.3107.2D473 S477 F549D473-R475 PolarHBondContact O-N 3.05Å; R475-S477 PolarHBondContact O-N 3.38Å; R475-S477 PolarHBondContact O-OG 3.43Å; R475-F549 PolarHBondContact NH1-O 3.42Å
476Q36.4Very low34.1Very low84 Ų84100.3 Ų100.339%0.39347%0.465SS..SBendtrans56.53.5151.2-54.2-169.83.300120.9Q451 W452 N453 F474Q451-Q476 CarbonylContact C-O 3.25Å; Q451-Q476 VanDerWaalsContact C-O 3.25Å; Q451-Q476 WeakPolarHBondContact CA-O 3.27Å; Q451-Q476 HydrophobicContact CG-CB 3.95Å; Q451-Q476 WeakPolarHBondContact CG-O 3.48Å; W452-Q476 PolarHBondContact N-O 3.36Å; N453-Q476 WeakPolarHBondContact ND2-CG 3.29Å; N453-Q476 PolarHBondContact ND2-NE2 2.89Å; N453-Q476 VanDerWaalsContact ND2-NE2 3.15Å; N453-Q476 PolarHBondContact ND2-OE1 3.04Å; F474-Q476 PolarHBondContact O-N 3.32Å
477S34.6Very low34Very low21 Ų21104.5 Ų104.515%0.14748%0.479CS..EExtended strand (participates in β ladder)trans-159.3161-176440000117.4F449 L450 F474 R475F449-S477 WeakPolarHBondContact CZ-OG 2.93Å; L450-S477 CarbonylContact O-C 3.27Å; L450-S477 VanDerWaalsContact O-C 3.27Å; L450-S477 WeakPolarHBondContact O-CA 2.96Å; L450-S477 WeakPolarHBondContact O-CB 3.12Å; F474-S477 WeakPolarHBondContact CD1-O 3.43Å; F474-S477 WeakPolarHBondContact CE1-O 3.18Å; R475-S477 PolarHBondContact O-N 3.38Å; R475-S477 PolarHBondContact O-OG 3.43Å
478C37.1Very low34Very low33 Ų33109.3 Ų109.322%0.22350%0.496CS..EExtended strand (participates in β ladder)trans-144.7158169.367.40000112.7L450L450-C478 PolarHBondContact N-O 3.17Å; L450-C478 PolarHBondContact O-N 3.48Å
479W39.2Very low33.6Very low161 Ų161108.1 Ų108.161%0.6150%0.502SS*.EExtended strand (participates in β ladder)trans-87.5129.6171.9-72.598.4000110.2W447 R448 F449W447-W479 HydrophobicContact CB-CE3 3.85Å; W447-W479 HydrophobicContact CB-CZ3 4.18Å; W447-W479 HydrophobicContact CE3-CB 4.23Å; R448-W479 WeakPolarHBondContact O-CA 3.04Å; F449-W479 HydrophobicContact CB-CD2 4.33Å; F449-W479 HydrophobicContact CB-CE3 4.09Å; F449-W479 HydrophobicContact CB-CH2 4.08Å; F449-W479 HydrophobicContact CB-CZ2 4.3Å; F449-W479 HydrophobicContact CB-CZ3 3.97Å; F449-W479 HydrophobicContact CD2-CD2 4.12Å; F449-W479 AromaticContact CD2-CE2 3.7Å; F449-W479 HydrophobicContact CD2-CG 4.49Å; F449-W479 AromaticContact CD2-CZ2 3.95Å; F449-W479 HydrophobicContact CD2-CZ2 3.95Å; F449-W479 AromaticContact CD2-NE1 3.81Å
480V40.1Very low33.3Very low19 Ų19108.6 Ų108.612%0.11552%0.521CS..EExtended strand (participates in β ladder)trans-127.3138.6178.3-169.40000109R448 L450 L462 A482R448-V480 VanDerWaalsContact CG-O 3.29Å; R448-V480 WeakPolarHBondContact CG-O 3Å; R448-V480 PolarHBondContact N-O 3.23Å; R448-V480 PolarHBondContact O-N 3.32Å; L450-V480 HydrophobicContact CD1-CB 3.86Å; L450-V480 HydrophobicContact CD1-CG2 3.44Å; L450-V480 VanDerWaalsContact CD1-CG2 3.44Å; L450-V480 HydrophobicContact CG-CG2 4.49Å; L462-V480 HydrophobicContact CD1-CG1 4.04Å; L462-V480 HydrophobicContact CD2-CG1 3.79Å; V480-A482 PolarHBondContact O-N 3.1Å
481R36.8Very low33.3Very low150 Ų150108.7 Ų108.757%0.56654%0.537SS*.EExtended strand (participates in β ladder)trans-66.1120.5172.8-166.5175.6-177.9-178.60.5108.6W447 I483W447-R481 HydrophobicContact CE3-CB 4.46Å; W447-R481 HydrophobicContact CZ3-CB 4.35Å; R481-I483 PolarHBondContact O-N 3.26Å
482A40.8Very low33Very low16 Ų16109.1 Ų109.113%0.13255%0.55CS..  trans-71.6111169.600000108.1S446 R448 V480 S484S446-A482 WeakPolarHBondContact O-CA 3.49Å; S446-A482 WeakPolarHBondContact O-CB 3.49Å; S446-A482 PolarHBondContact O-N 2.68Å; R448-A482 HydrophobicContact CG-CB 4Å; V480-A482 PolarHBondContact O-N 3.1Å; A482-S484 PolarHBondContact O-N 3.38Å
483I38.3Very low32.9Very low87 Ų87115.9 Ų115.945%0.44658%0.575SS.*  trans-63121.9159.6-57.3172.3000105.4R481 D487R481-I483 PolarHBondContact O-N 3.26Å; I483-D487 HydrophobicContact CG2-CB 3.77Å
484S33.5Very low32.7Very low54 Ų54118 Ų11838%0.37858%0.58SS.*  trans-57.1144.8178.7-178.40000109A482 E486 D487A482-S484 PolarHBondContact O-N 3.38Å; S484-E486 PolarHBondContact O-N 2.95Å; S484-E486 PolarHBondContact OG-N 3.15Å; S484-E486 PolarHBondContact OG-OE2 2.9Å; S484-D487 PolarHBondContact O-N 3.36Å
485Q34Very low32.4Very low171 Ų171115.2 Ų115.280%0.79958%0.584SS**G310 helixtrans-62.9-10.1175.6-162.4169.4-5.600112.2
486E31.7Very low32.3Very low163 Ų163114 Ų11476%0.76259%0.587SS**G310 helixtrans-78.7-17.7172.3-76160.4146.200114.3S484 Q488S484-E486 PolarHBondContact O-N 2.95Å; S484-E486 PolarHBondContact OG-N 3.15Å; S484-E486 PolarHBondContact OG-OE2 2.9Å; E486-Q488 VanDerWaalsContact C-N 3.34Å
487D31.5Very low32Very low126 Ų126118.1 Ų118.167%0.67461%0.606SS**G310 helixtrans-88.61.7178.1-72.5-34.3000113.3I483 S484I483-D487 HydrophobicContact CG2-CB 3.77Å; S484-D487 PolarHBondContact O-N 3.36Å
488Q32.3Very low31.9Very low156 Ų156122.5 Ų122.573%0.72963%0.634SS**G310 helixtrans-105.65177.9-67.8-166.220.700114.2E486E486-Q488 VanDerWaalsContact C-N 3.34Å
489L25.7Very low31.5Very low147 Ų147125.3 Ų125.377%0.7766%0.66SS**SBendtrans-134.671.7-179.5-68.7173.8000111.6
490A25.9Very low31.1Very low93 Ų93124.6 Ų124.677%0.76966%0.663SS**  trans169.7149.8147.500000112.4
491P30.3Very low30.7Very low117 Ų117133.6 Ų133.676%0.7670%0.695SS**  cis-135.4143.2-22.231.1-11.6000113.4
492C24.5Very low30.3Very low110 Ų110131.6 Ų131.674%0.74370%0.699SS**  trans-66.9137.5155.7-140.20000107.8
493W26.8Very low29.8Very low237 Ų237141.1 Ų141.190%0.89873%0.732SS**  trans92.8121.1164.2-62.987.2000120.4
494Q24.5Very low29.4Very low187 Ų187142.4 Ų142.487%0.87475%0.748SS**  trans-77.9163.3169.9-66.8177.7-60.200112.5
495A26.5Very low29.3Very low89 Ų89143.4 Ų143.474%0.73676%0.76SS**  trans95.7105.3140.600000120
496E27.2Very low29Very low172 Ų172145.2 Ų145.280%0.80477%0.765SS**  trans71103130.3-61.1-165.5166.300122.2
497H30.1Very low29.1Very low171 Ų171141.8 Ų141.879%0.79277%0.765SS**  142.1141.8115.7-91.3-67.6000114.2
498P32.1Very low29.2Very low113 Ų113140.7 Ų140.773%0.73477%0.774SS**  trans-102.8150.2-166.838.5-30000113.4
499A29.8Very low29.5Very low93 Ų93139.1 Ų139.177%0.76978%0.777SS**  trans166134.2131.500000113.7
500E31Very low29.9Very low145 Ų145136.9 Ų136.968%0.67877%0.774SS**  trans76.4115.2144.8-73.7-163.5121.300123.5
501R30.4Very low30.4Very low209 Ų209138.4 Ų138.479%0.78977%0.774SS**  trans74.3142.4131.8-73.8-174.1-156-153.15.1119.2
502V29.3Very low30.7Very low108 Ų108139.5 Ų139.566%0.65577%0.773SS**  cis178.6135.3-18124.10000104
503R30.4Very low31.2Very low216 Ų216138.5 Ų138.582%0.81577%0.767SS**  trans64.9116.1151.8-73.2177.1-167.2175.61.7119.8
504S30.1Very low31.8Very low113 Ų113133.4 Ų133.479%0.7976%0.758SS**  89.514298-61.60000111.3
505A30.2Very low32.3Very low75 Ų75133.2 Ų133.262%0.6276%0.757SS**  cis-175.9142.510.800000108.1
506F29.3Very low32.7Very low209 Ų209133 Ų13392%0.91776%0.763SS**  trans65.4137.1140.3-78-88.6000124.5
507A34.2Very low32.9Very low91 Ų91131.3 Ų131.375%0.75277%0.765SS**  trans108.286.7138.500000119.9
508A31.8Very low33.3Very low104 Ų104127.8 Ų127.886%0.8676%0.757SS**  53.4153.7115.100000123.7
509P39.5Very low33.1Very low122 Ų122131.4 Ų131.479%0.79276%0.761SS**  trans-122.5177-148.342.3-27.5000115.4
510S34.8Very low33.3Very low101 Ų101138.7 Ų138.771%0.70677%0.769SS**  trans176.5136.714650.80000115.7
511T34.5Very low33.1Very low125 Ų125136.1 Ų136.177%0.76777%0.772SS**  trans63.6144.5138.9550000120.1
512D37.4Very low33.1Very low139 Ų139137 Ų13774%0.74378%0.776SS**  cis-170.4158.719.7-135.84.2000111.1
513S36Very low33.4Very low89 Ų89139.3 Ų139.362%0.62278%0.784SS**  trans48.6140.3139.7-47.20000121.3
514D38.6Very low33.3Very low130 Ų130138.2 Ų138.270%0.69579%0.788SS**  cis-174.7143.243.6-128.7-20.4000113.1
515Q35.5Very low33.4Very low184 Ų184140.9 Ų140.986%0.8679%0.788SS**  trans41.5132.8142.4-71.5173.350.700126.5
516G34.9Very low33.3Very low83 Ų83145.2 Ų145.286%0.85680%0.796SS**  trans147.592140.100000119.4
517T30Very low33.3Very low138 Ų138141.7 Ų141.785%0.84780%0.796SS**  trans-102-175.1169.4220000112
518P39.7Very low33.1Very low96 Ų96141.8 Ų141.862%0.62380%0.797SS**  cis-143.8-170.4-16.824.42.7000116.3
519F28.5Very low33.3Very low190 Ų190142 Ų14283%0.83379%0.789SS**  trans83.6139.4163.2-69.6-80.6000117.9
520R33Very low32.8Very low245 Ų245142.1 Ų142.193%0.92579%0.788SS**  cis-161.4163.529.2-139.4-179.7-168.6-179.73.6111.4
521A27.9Very low32.5Very low91 Ų91143.2 Ų143.275%0.75280%0.795SS**  trans-78.7153.7-170.600000118.1
522R30.7Very low32.3Very low229 Ų229140.6 Ų140.686%0.86479%0.793SS**  159.5124123.7-97.1-170.4-177169.90.4113.1
523D35.1Very low32Very low156 Ų156139.6 Ų139.683%0.83479%0.794SS**  157127.3111.5-86.6-21.8000112.5
524E27.7Very low31.6Very low192 Ų192141.1 Ų141.190%0.89780%0.804SS**  trans-81.6128.7175-76.8176.8108.300111
525Q31.9Very low31.2Very low169 Ų169142.3 Ų142.379%0.7981%0.809SS**  trans-164.5120.7137.8-117.4158.7-8.200113.6
526Q28Very low30.7Very low166 Ų166139.6 Ų139.678%0.77681%0.809SS**  trans58.397.5144.8-71.8161.9-14.300119.5
527C30Very low30.2Very low135 Ų135138.8 Ų138.891%0.91280%0.801SS**  trans-155.7123.4141.7-89.70000109.7
528A30.6Very low30.1Very low94 Ų94140.7 Ų140.778%0.77781%0.805SS**  trans-81.4169.8152.900000108
529P36Very low29.5Very low107 Ų107145.1 Ų145.170%0.69582%0.817SS**  cis-136.6-161.1935.8-11.8000112.8
530T28.1Very low29.4Very low125 Ų125143.7 Ų143.777%0.76782%0.817SS**  trans66.399.4156.852.20000119.2
531S28.8Very low29.1Very low124 Ų124141.3 Ų141.387%0.86782%0.817SS**  trans157137.7138.249.70000109.4
532G29.3Very low29Very low70 Ų70142.2 Ų142.272%0.72282%0.817SS**  trans-71.3169-174.500000113.5
533P32.1Very low28.8Very low118 Ų118136 Ų13677%0.76681%0.809SS**  trans-95.2111172.132.5-24000110.8
534C28.1Very low28.5Very low122 Ų122137.1 Ų137.182%0.82481%0.809SS**  trans-63.2123.2138.5-79.60000107.3
535L29.5Very low28.6Very low155 Ų155137.3 Ų137.381%0.81281%0.807SS**  trans-143.393.4161-81.5177.8000110.4
536C24.4Very low28.5Very low127 Ų127134.5 Ų134.586%0.85880%0.804SS**  trans-48.5128.3140.7-42.90000108.5
537G25.2Very low28.5Very low66 Ų66133 Ų13368%0.6881%0.808SS**  trans148.3103173.300000110.9
538L28.1Very low28.2Very low178 Ų178129.9 Ų129.993%0.93280%0.799SS**  trans-164.9108.2131-98.9162.3000108.4
539H26.9Very low28.1Very low189 Ų189137.8 Ų137.888%0.87582%0.817SS**  trans-59.4140.6174.4-130.2-92.1000110.4E541H539-E541 PolarHBondContact O-N 3.41Å
540L25.5Very low27.7Very low159 Ų159139.4 Ų139.483%0.83282%0.823SS**  trans-60.3124.6165.8-90.677.9000109.6
541E27.1Very low27.6Very low196 Ų196140.1 Ų140.192%0.91683%0.826SS**  trans-118.3107.1150-106.2-175.8166.100108.8H539H539-E541 PolarHBondContact O-N 3.41Å
542S26.2Very low27.6Very low110 Ų110141 Ų14177%0.76982%0.823SS**  trans-72.7124.1168141.40000108.5
543S27Very low27.5Very low98 Ų98145.2 Ų145.269%0.68583%0.829SS**  trans-173.4139141.435.90000111.4
544Q28.7Very low27.2Very low180 Ų180146.9 Ų146.984%0.84183%0.833SS**  trans86.489165.1-55.6176.820.400118.1
545F29.4Very low27.1Very low195 Ų195148.5 Ų148.586%0.85583%0.834SS**  trans-119139.2141.3-86.1-82.1000108.9
546P30.3Very low27Very low111 Ų111148.1 Ų148.172%0.72184%0.836SS**  trans-81.4156.3161.533.7-29.4000110.4
547P27Very low27.2Very low134 Ų134149.7 Ų149.787%0.8783%0.834SS**  trans-84143.1-178.833.9-31.3000111.6
548G24.3Very low27.3Very low70 Ų70156.7 Ų156.772%0.72285%0.847SS**  trans122.8103.6159.900000116
549F27.3Very low27.2Very low260 Ų260154.7 Ų154.7100%1.1484%0.839SS**  trans1510140.8-90.3-73.5000114R475R475-F549 PolarHBondContact NH1-O 3.42Å

Retrieved 549 of 549 residues in 84.6 ms (Link to these results)

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