TBC3I_HUMAN Loading...

TBC1 domain family member 3I

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

AlphaFold DB , UniProt , Accession A0A087WXS9, Species HUMAN (Homo sapiens, Human), Gene TBC1D3I, 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
1M56.4Low70Confident196 Ų196112.6 Ų112.697%0.96661%0.61SS**  0-460-84.2164.6165.600109.4V3 V4M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 2.76Å; M1-V4 PolarHBondContact O-N 2.85Å
2D61.7Low71.5Confident113 Ų113106 Ų10660%0.60458%0.582SS**THydrogen-bonded Turntrans20.9-72144.4-46.139.9000116.6V4 E5 V6D2-V4 PolarHBondContact O-N 3.14Å; D2-V4 VanDerWaalsContact O-N 3.17Å; D2-E5 PolarHBondContact O-N 3.11Å; D2-E5 VanDerWaalsContact O-N 3.1Å; D2-V6 WeakPolarHBondContact O-CB 3.15Å; D2-V6 VanDerWaalsContact O-CG2 3.3Å; D2-V6 WeakPolarHBondContact O-CG2 3.3Å; D2-V6 PolarHBondContact O-N 3.43Å
3V63.7Low72.9Confident123 Ų123105.4 Ų105.475%0.74557%0.572SS**Hα-helixtrans-56.9-35.4-176-175.80000112.7M1 A7M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 2.76Å; V3-A7 VanDerWaalsContact O-CB 3.3Å; V3-A7 WeakPolarHBondContact O-CB 3.36Å; V3-A7 PolarHBondContact O-N 2.87Å; V3-A7 VanDerWaalsContact O-N 3.09Å
4V64.4Low74.1Confident119 Ų119102.1 Ų102.172%0.72155%0.551SS**Hα-helixtrans-75.7-38.8179.1-178.70000111.3M1 D2 G8M1-V4 PolarHBondContact O-N 2.85Å; D2-V4 PolarHBondContact O-N 3.14Å; D2-V4 VanDerWaalsContact O-N 3.17Å; V4-G8 PolarHBondContact O-N 2.98Å
5E66Low75.4Confident144 Ų14498.7 Ų98.767%0.67353%0.527SS*.Hα-helixtrans-70.2-42.5177.7-65.8-176.415200111.6D2 A7 G8 S9D2-E5 PolarHBondContact O-N 3.11Å; D2-E5 VanDerWaalsContact O-N 3.1Å; E5-A7 PolarHBondContact O-N 3.25Å; E5-G8 PolarHBondContact O-N 2.92Å; E5-S9 WeakPolarHBondContact O-CB 3.5Å; E5-S9 PolarHBondContact O-N 3.24Å
6V68.5Low76.5Confident102 Ų10299.9 Ų99.962%0.61853%0.529SS*.Hα-helixtrans-61.3-43.9174.51720000110.8D2 W10D2-V6 WeakPolarHBondContact O-CB 3.15Å; D2-V6 VanDerWaalsContact O-CG2 3.3Å; D2-V6 WeakPolarHBondContact O-CG2 3.3Å; D2-V6 PolarHBondContact O-N 3.43Å; V6-W10 PolarHBondContact O-N 2.61Å
7A69.2Low77.4Confident40 Ų4097.9 Ų97.933%0.33152%0.518SS..Hα-helixtrans-61.8-49.2174.100000111.4V3 E5 S9 W10 W11V3-A7 VanDerWaalsContact O-CB 3.3Å; V3-A7 WeakPolarHBondContact O-CB 3.36Å; V3-A7 PolarHBondContact O-N 2.87Å; V3-A7 VanDerWaalsContact O-N 3.09Å; E5-A7 PolarHBondContact O-N 3.25Å; A7-S9 VanDerWaalsContact C-N 3.32Å; A7-S9 PolarHBondContact O-N 2.91Å; A7-W10 PolarHBondContact O-N 2.98Å; A7-W10 VanDerWaalsContact O-N 3.14Å; A7-W11 PolarHBondContact O-N 2.99Å
8G74.2Confident78.3Confident40 Ų4092.8 Ų92.841%0.41249%0.491SS..Hα-helixtrans-58.3-41178.900000113.5V4 E5 A12V4-G8 PolarHBondContact O-N 2.98Å; E5-G8 PolarHBondContact O-N 2.92Å; G8-A12 WeakPolarHBondContact O-CB 3.49Å; G8-A12 PolarHBondContact O-N 3.29Å
9S80.5Confident79.1Confident84 Ų8489.1 Ų89.159%0.58747%0.471SS*.Hα-helixtrans-61.7-45.2173.4173.90000112E5 A7 A12 Q13E5-S9 WeakPolarHBondContact O-CB 3.5Å; E5-S9 PolarHBondContact O-N 3.24Å; A7-S9 VanDerWaalsContact C-N 3.32Å; A7-S9 PolarHBondContact O-N 2.91Å; S9-A12 PolarHBondContact O-N 3.32Å; S9-Q13 PolarHBondContact O-N 3.21Å
10W82.5Confident79.8Confident141 Ų14188.8 Ų88.853%0.53447%0.469SS..Hα-helixtrans-64.7-43.9179.3-172.880.2000112.8V6 A7 A12 Q13 E14V6-W10 PolarHBondContact O-N 2.61Å; A7-W10 PolarHBondContact O-N 2.98Å; A7-W10 VanDerWaalsContact O-N 3.14Å; W10-A12 VanDerWaalsContact C-N 3.29Å; W10-A12 PolarHBondContact O-N 3.21Å; W10-Q13 PolarHBondContact O-N 2.86Å; W10-E14 PolarHBondContact O-N 3.19Å
11W83.4Confident80.4Confident137 Ų13787.4 Ų87.452%0.51946%0.459SS..Hα-helixtrans-63.6-34.6174.9-63.7115.1000112.5A7 R15A7-W11 PolarHBondContact O-N 2.99Å; W11-R15 WeakPolarHBondContact O-CB 3.26Å; W11-R15 PolarHBondContact O-N 2.9Å; W11-R15 VanDerWaalsContact O-N 3.09Å
12A88Confident82.1Confident33 Ų3378.2 Ų78.227%0.27341%0.413SS..Hα-helixtrans-67.8-43.7175.800000112.1G8 S9 W10 R15 E16G8-A12 WeakPolarHBondContact O-CB 3.49Å; G8-A12 PolarHBondContact O-N 3.29Å; S9-A12 PolarHBondContact O-N 3.32Å; W10-A12 VanDerWaalsContact C-N 3.29Å; W10-A12 PolarHBondContact O-N 3.21Å; A12-R15 PolarHBondContact O-N 2.97Å; A12-E16 PolarHBondContact O-N 2.95Å
13Q89.8Confident83.5Confident98 Ų9876.7 Ų76.746%0.45840%0.402SS..Hα-helixtrans-62.8-49.1176.8-174.263.855.500111.7S9 W10 R15 E16 D17S9-Q13 PolarHBondContact O-N 3.21Å; W10-Q13 PolarHBondContact O-N 2.86Å; Q13-R15 VanDerWaalsContact C-N 3.28Å; Q13-R15 PolarHBondContact O-N 2.69Å; Q13-E16 PolarHBondContact O-N 3.14Å; Q13-E16 VanDerWaalsContact O-N 3.1Å; Q13-D17 PolarHBondContact NE2-OD1 3.31Å; Q13-D17 PolarHBondContact O-N 3.29Å
14E89.3Confident84.7Confident59 Ų5976.5 Ų76.528%0.27639%0.392SS..Hα-helixtrans-64.6-33.4-179.8-176.963.2-147.800111.7W10 I18 Q143W10-E14 PolarHBondContact O-N 3.19Å; E14-I18 HydrophobicContact CG-CD1 4.35Å; E14-I18 VanDerWaalsContact O-CG1 3.26Å; E14-I18 WeakPolarHBondContact O-CG1 3.46Å; E14-I18 PolarHBondContact O-N 3.28Å; E14-Q143 HydrophobicContact CG-CG 4.23Å; E14-Q143 VanDerWaalsContact CG-NE2 3.26Å
15R93.3Very high85.7Confident51 Ų5171.5 Ų71.519%0.19236%0.364CS..Hα-helixtrans-61.9-48.5170172.5173.365.4-129.1-6.7111.4W11 A12 Q13 I18 I19 K136 R137 S139 I142W11-R15 WeakPolarHBondContact O-CB 3.26Å; W11-R15 PolarHBondContact O-N 2.9Å; W11-R15 VanDerWaalsContact O-N 3.09Å; A12-R15 PolarHBondContact O-N 2.97Å; Q13-R15 VanDerWaalsContact C-N 3.28Å; Q13-R15 PolarHBondContact O-N 2.69Å; R15-I18 PolarHBondContact O-N 3.32Å; R15-I19 WeakPolarHBondContact O-CG1 3.32Å; R15-I19 PolarHBondContact O-N 2.84Å; R15-K136 WeakPolarHBondContact CD-O 3.44Å; R15-R137 PolarHBondContact NE-O 3.11Å; R15-R137 VanDerWaalsContact NE-O 3.16Å; R15-R137 PolarHBondContact NH2-O 2.85Å; R15-R137 VanDerWaalsContact NH2-O 3.15Å; R15-S139 WeakPolarHBondContact CD-O 3.33Å; R15-S139 PolarHBondContact NH1-O 3.47Å; R15-I142 HydrophobicContact CB-CG2 3.88Å; R15-I142 HydrophobicContact CG-CD1 3.8Å; R15-I142 HydrophobicContact CG-CG2 3.97Å
16E92.6Very high86.3Confident118 Ų11867.9 Ų67.955%0.55135%0.347SS*.Hα-helixtrans-63.2-42.8179.8-173.8158.4-153.400111.4A12 Q13 I18 I19 M20A12-E16 PolarHBondContact O-N 2.95Å; Q13-E16 PolarHBondContact O-N 3.14Å; Q13-E16 VanDerWaalsContact O-N 3.1Å; E16-I18 PolarHBondContact O-N 3.4Å; E16-I19 PolarHBondContact O-N 3.29Å; E16-M20 HydrophobicContact CG-CG 4.35Å; E16-M20 WeakPolarHBondContact O-CB 3.45Å; E16-M20 VanDerWaalsContact O-CG 3.25Å; E16-M20 WeakPolarHBondContact O-CG 3.37Å; E16-M20 PolarHBondContact O-N 2.84Å
17D92.4Very high86.2Confident66 Ų6670.1 Ų70.135%0.35334%0.344SS..Hα-helixtrans-59.7-42.1175.3-74.72000112.1Q13 K21Q13-D17 PolarHBondContact NE2-OD1 3.31Å; Q13-D17 PolarHBondContact O-N 3.29Å; D17-K21 WeakPolarHBondContact O-CG 3.19Å; D17-K21 PolarHBondContact O-N 3.04Å; D17-K21 VanDerWaalsContact O-N 3.13Å
18I92.9Very high85.5Confident6 Ų672.6 Ų72.63%0.03137%0.365CS..Hα-helixtrans-64.1-50.6174.3-69.4166.5000110.8E14 R15 E16 M20 K21 Y22 I142 Q143 D146E14-I18 HydrophobicContact CG-CD1 4.35Å; E14-I18 VanDerWaalsContact O-CG1 3.26Å; E14-I18 WeakPolarHBondContact O-CG1 3.46Å; E14-I18 PolarHBondContact O-N 3.28Å; R15-I18 PolarHBondContact O-N 3.32Å; E16-I18 PolarHBondContact O-N 3.4Å; I18-M20 VanDerWaalsContact C-N 3.28Å; I18-M20 PolarHBondContact O-N 3.48Å; I18-K21 PolarHBondContact O-N 3.3Å; I18-K21 VanDerWaalsContact O-N 3.1Å; I18-Y22 HydrophobicContact CG2-CD2 4.14Å; I18-Y22 HydrophobicContact CG2-CE2 3.99Å; I18-Y22 WeakPolarHBondContact O-CD2 3.31Å; I18-Y22 PolarHBondContact O-N 3.14Å; I18-I142 HydrophobicContact CB-CD1 4.07Å; I18-I142 HydrophobicContact CB-CG1 4.48Å; I18-I142 HydrophobicContact CD1-CG2 4.47Å; I18-I142 HydrophobicContact CG2-CD1 3.8Å; I18-I142 HydrophobicContact CG2-CG1 3.94Å; I18-Q143 HydrophobicContact CD1-CB 4.44Å; I18-Q143 HydrophobicContact CD1-CG 3.83Å; I18-D146 HydrophobicContact CG2-CB 3.96Å
19I93.6Very high84.5Confident22 Ų2273.6 Ų73.611%0.11338%0.375CS..Hα-helixtrans-56.3-45.4177.8-68.1-58.3000110.6R15 E16 K21 Y22 E23 K136 I142 L171 L175R15-I19 WeakPolarHBondContact O-CG1 3.32Å; R15-I19 PolarHBondContact O-N 2.84Å; E16-I19 PolarHBondContact O-N 3.29Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 3.07Å; I19-Y22 PolarHBondContact O-N 3.48Å; I19-E23 HydrophobicContact CG2-CG 4.09Å; I19-E23 WeakPolarHBondContact O-CG 3.44Å; I19-E23 PolarHBondContact O-N 3.48Å; I19-K136 HydrophobicContact CD1-CB 4.19Å; I19-K136 HydrophobicContact CD1-CG 3.92Å; I19-K136 HydrophobicContact CG1-CB 4.44Å; I19-K136 HydrophobicContact CG2-CD 4.47Å; I19-I142 HydrophobicContact CD1-CD1 3.55Å; I19-I142 HydrophobicContact CG1-CD1 3.7Å; I19-L171 HydrophobicContact CD1-CD2 3.98Å; I19-L175 HydrophobicContact CD1-CD1 3.91Å
20M92.9Very high83.6Confident84 Ų8473.9 Ų73.941%0.41437%0.369SS..Hα-helixtrans-61.9-30.4178.9-75-60.5-66.300113.3E16 I18 K24E16-M20 HydrophobicContact CG-CG 4.35Å; E16-M20 WeakPolarHBondContact O-CB 3.45Å; E16-M20 VanDerWaalsContact O-CG 3.25Å; E16-M20 WeakPolarHBondContact O-CG 3.37Å; E16-M20 PolarHBondContact O-N 2.84Å; I18-M20 VanDerWaalsContact C-N 3.28Å; I18-M20 PolarHBondContact O-N 3.48Å; M20-K24 VanDerWaalsContact O-CB 3.3Å; M20-K24 WeakPolarHBondContact O-CB 3.33Å; M20-K24 WeakPolarHBondContact O-CD 3.2Å; M20-K24 WeakPolarHBondContact O-CG 3.49Å; M20-K24 PolarHBondContact O-N 2.9Å
21K92.6Very high82.4Confident60 Ų6072 Ų7226%0.26138%0.375SS..Hα-helixtrans-68.5-40.3172.7-69.4171.1-159.6-1640111.7D17 I18 I19 G25 E32 Y163D17-K21 WeakPolarHBondContact O-CG 3.19Å; D17-K21 PolarHBondContact O-N 3.04Å; D17-K21 VanDerWaalsContact O-N 3.13Å; I18-K21 PolarHBondContact O-N 3.3Å; I18-K21 VanDerWaalsContact O-N 3.1Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 3.07Å; K21-G25 PolarHBondContact O-N 2.57Å; K21-E32 VanDerWaalsContact CE-OE2 3.31Å; K21-E32 WeakPolarHBondContact CE-OE2 3.27Å; K21-E32 IonicContact NZ-OE2 2.62Å; K21-E32 PolarHBondContact NZ-OE2 2.93Å; K21-Y163 HydrophobicContact CB-CD1 4.1Å; K21-Y163 HydrophobicContact CB-CD2 4.32Å; K21-Y163 HydrophobicContact CB-CE1 3.77Å; K21-Y163 HydrophobicContact CB-CE2 4.02Å; K21-Y163 HydrophobicContact CB-CG 4.38Å; K21-Y163 HydrophobicContact CD-CE2 4.47Å
22Y92.5Very high81.2Confident2 Ų271.2 Ų71.21%0.00838%0.377CS..Hα-helixtrans-69.5-40.5174.9-78.8-87.3000113.3I18 I19 G25 D146 V149 R162 Y163 Q167 R168 L171I18-Y22 HydrophobicContact CG2-CD2 4.14Å; I18-Y22 HydrophobicContact CG2-CE2 3.99Å; I18-Y22 WeakPolarHBondContact O-CD2 3.31Å; I18-Y22 PolarHBondContact O-N 3.14Å; I19-Y22 PolarHBondContact O-N 3.48Å; Y22-G25 PolarHBondContact O-N 2.95Å; Y22-G25 VanDerWaalsContact O-N 3.11Å; Y22-D146 HydrophobicContact CE2-CB 4.49Å; Y22-D146 WeakPolarHBondContact CE2-OD1 3.38Å; Y22-D146 VanDerWaalsContact CZ-OD1 3.23Å; Y22-D146 PolarHBondContact OH-OD1 3.11Å; Y22-V149 HydrophobicContact CE1-CG1 4.24Å; Y22-V149 VanDerWaalsContact OH-CG1 3.24Å; Y22-V149 WeakPolarHBondContact OH-CG1 3.49Å; Y22-R162 PolarHBondContact OH-NH1 3.49Å; Y22-Y163 AromaticContact CD1-CD1 3.95Å; Y22-Y163 HydrophobicContact CD1-CD1 3.95Å; Y22-Y163 AromaticContact CD2-CD1 3.86Å; Y22-Y163 HydrophobicContact CD2-CD1 3.86Å; Y22-Y163 HydrophobicContact CD2-CE1 4.13Å; Y22-Y163 AromaticContact CE1-CD1 3.95Å; Y22-Y163 HydrophobicContact CE1-CD1 3.95Å; Y22-Y163 AromaticContact CE2-CD1 3.83Å; Y22-Y163 HydrophobicContact CE2-CD1 3.83Å; Y22-Y163 AromaticContact CE2-CE1 3.86Å; Y22-Y163 HydrophobicContact CE2-CE1 3.86Å; Y22-Y163 AromaticContact CG-CD1 3.93Å; Y22-Y163 HydrophobicContact CG-CD1 3.93Å; Y22-Y163 AromaticContact CZ-CD1 3.88Å; Y22-Q167 HydrophobicContact CE1-CB 4.12Å; Y22-R168 HydrophobicContact CD1-CB 3.94Å; Y22-R168 HydrophobicContact CD1-CG 4.43Å; Y22-R168 WeakPolarHBondContact O-CD 3.47Å; Y22-L171 HydrophobicContact CD1-CB 4.33Å; Y22-L171 HydrophobicContact CD1-CD2 4.17Å; Y22-L171 HydrophobicContact CD2-CD1 4.4Å; Y22-L171 HydrophobicContact CD2-CD2 3.57Å; Y22-L171 HydrophobicContact CD2-CG 4.48Å; Y22-L171 HydrophobicContact CE1-CB 4.07Å; Y22-L171 HydrophobicContact CE1-CD2 4.4Å; Y22-L171 HydrophobicContact CE2-CD1 3.83Å; Y22-L171 HydrophobicContact CE2-CD2 3.86Å; Y22-L171 HydrophobicContact CE2-CG 4.33Å; Y22-L171 HydrophobicContact CG-CD2 3.73Å
23E90.9Very high79.8Confident81 Ų8170.1 Ų70.138%0.37937%0.367SS..Hα-helixtrans-69.1-36178.6-61.5-65.3-168.800111.9I19 G25 K136I19-E23 HydrophobicContact CG2-CG 4.09Å; I19-E23 WeakPolarHBondContact O-CG 3.44Å; I19-E23 PolarHBondContact O-N 3.48Å; E23-G25 PolarHBondContact O-N 2.93Å; E23-K136 WeakPolarHBondContact OE1-CE 3.37Å; E23-K136 IonicContact OE1-NZ 3.52Å; E23-K136 PolarHBondContact OE1-NZ 3.05Å
24K89.1Confident78Confident120 Ų12072.7 Ų72.752%0.52238%0.376SS..Hα-helixtrans-62.7-22.9169.7-75.7167.7-173.5168.80113.5M20M20-K24 VanDerWaalsContact O-CB 3.3Å; M20-K24 WeakPolarHBondContact O-CB 3.33Å; M20-K24 WeakPolarHBondContact O-CD 3.2Å; M20-K24 WeakPolarHBondContact O-CG 3.49Å; M20-K24 PolarHBondContact O-N 2.9Å
25G85.5Confident76.3Confident14 Ų1470.8 Ų70.814%0.14437%0.373CS..  trans66.2-177.3-178.100000113.9K21 Y22 E23 R27 Y163K21-G25 PolarHBondContact O-N 2.57Å; Y22-G25 PolarHBondContact O-N 2.95Å; Y22-G25 VanDerWaalsContact O-N 3.11Å; E23-G25 PolarHBondContact O-N 2.93Å; G25-R27 PolarHBondContact O-N 3.25Å; G25-Y163 CarbonylContact C-O 3.55Å; G25-Y163 WeakPolarHBondContact CA-O 3.03Å
26H77.7Confident74.5Confident67 Ų6771.5 Ų71.531%0.3138%0.384SS..  trans-66.9110.9178.8-174.762.3000112.3D33 R162 Y163H26-D33 PolarHBondContact CE1-O 3.12Å; H26-R162 VanDerWaalsContact CB-O 3.32Å; H26-R162 WeakPolarHBondContact CB-O 3.14Å; H26-R162 PolarHBondContact ND1-O 2.8Å; H26-Y163 PolarHBondContact N-O 3.49Å; H26-Y163 VanDerWaalsContact N-O 3.14Å
27R66.5Low72.5Confident150 Ų15074.7 Ų74.757%0.56640%0.396SS*.  trans-102.495.5170.8-67-173.6178.8-156.1-2109.5G25 G29 L30 D33G25-R27 PolarHBondContact O-N 3.25Å; R27-G29 PolarHBondContact O-N 3.43Å; R27-L30 HydrophobicContact CB-CD1 4.06Å; R27-L30 HydrophobicContact CB-CG 4.43Å; R27-L30 PolarHBondContact O-N 2.9Å; R27-D33 WeakPolarHBondContact CA-OD2 3.42Å; R27-D33 PolarHBondContact N-OD2 3.03Å
28A56.4Low70.4Confident92 Ų9277.2 Ų77.276%0.7642%0.416SS*.THydrogen-bonded Turntrans-55.397.3-179.400000112.2
29G52.7Low68.1Low60 Ų6080.5 Ų80.562%0.61943%0.431SS*.THydrogen-bonded Turntrans147.9-32.917800000114.7R27R27-G29 PolarHBondContact O-N 3.43Å
30L60.2Low65.7Low90 Ų9091.7 Ų91.747%0.47147%0.471SS..  trans-65.6142-178.3-69.8176.7000111.5R27 E32 D33R27-L30 HydrophobicContact CB-CD1 4.06Å; R27-L30 HydrophobicContact CB-CG 4.43Å; R27-L30 PolarHBondContact O-N 2.9Å; L30-E32 VanDerWaalsContact C-N 3.25Å; L30-E32 PolarHBondContact O-N 2.92Å; L30-D33 HydrophobicContact CB-CB 4.22Å; L30-D33 PolarHBondContact O-N 3.33Å; L30-D33 VanDerWaalsContact O-N 3.11Å
31P58.5Low63.4Low101 Ų10190.6 Ų90.666%0.65647%0.472SS*.G310 helixtrans-55.7-37.8179.3-26.735.4000114D33P31-D33 VanDerWaalsContact C-N 3.3Å; P31-D33 PolarHBondContact O-N 3.29Å
32E57.3Low61.6Low121 Ų12188.9 Ų88.957%0.56546%0.464SS*.G310 helixtrans-71.5-23.2-179.6-60-176.8-150.800113.4K21 L30 K34K21-E32 VanDerWaalsContact CE-OE2 3.31Å; K21-E32 WeakPolarHBondContact CE-OE2 3.27Å; K21-E32 IonicContact NZ-OE2 2.62Å; K21-E32 PolarHBondContact NZ-OE2 2.93Å; L30-E32 VanDerWaalsContact C-N 3.25Å; L30-E32 PolarHBondContact O-N 2.92Å; E32-K34 VanDerWaalsContact C-N 3.34Å
33D59.1Low60Low10 Ų1092.5 Ų92.55%0.05348%0.483CS..G310 helixtrans-90.80.5-176.9-72.719.7000112.3H26 R27 L30 P31 G35 R162 Y163H26-D33 PolarHBondContact CE1-O 3.12Å; R27-D33 WeakPolarHBondContact CA-OD2 3.42Å; R27-D33 PolarHBondContact N-OD2 3.03Å; L30-D33 HydrophobicContact CB-CB 4.22Å; L30-D33 PolarHBondContact O-N 3.33Å; L30-D33 VanDerWaalsContact O-N 3.11Å; P31-D33 VanDerWaalsContact C-N 3.3Å; P31-D33 PolarHBondContact O-N 3.29Å; D33-G35 VanDerWaalsContact C-N 3.32Å; D33-G35 PolarHBondContact O-N 3.09Å; D33-R162 WeakPolarHBondContact O-CB 3.27Å; D33-Y163 VanDerWaalsContact OD1-CD2 3.32Å; D33-Y163 WeakPolarHBondContact OD1-CD2 3.29Å; D33-Y163 VanDerWaalsContact OD1-CE2 3.31Å; D33-Y163 WeakPolarHBondContact OD1-CE2 3.19Å
34K52.1Low58.7Low152 Ų15292.6 Ų92.666%0.66149%0.486SS*.  trans-71.682.6-174.6-71.7179-176.91740112.2E32E32-K34 VanDerWaalsContact C-N 3.34Å
35G54.5Low58.2Low20 Ų2087.1 Ų87.121%0.20646%0.463CS..  trans-62.6178.6158.200000112.9D33 K37D33-G35 VanDerWaalsContact C-N 3.32Å; D33-G35 PolarHBondContact O-N 3.09Å; G35-K37 PolarHBondContact O-N 3.28Å; G35-K37 VanDerWaalsContact O-N 3.11Å
36P55.2Low57.8Low66 Ų6687.7 Ų87.743%0.42946%0.463SS..SBendtrans-58.2119.1-179.524.8-34.2000110.9R160P36-R160 HydrophobicContact CG-CG 3.81Å; P36-R160 PolarHBondContact O-NE 2.99Å; P36-R160 PolarHBondContact O-NH2 3.2Å
37K49.1Very low57.8Low185 Ų18586.3 Ų86.380%0.80446%0.458SS*.  trans-19.5120.4-170.6-68.7-179.3179177.10113.3G35 F39 R160G35-K37 PolarHBondContact O-N 3.28Å; G35-K37 VanDerWaalsContact O-N 3.11Å; K37-F39 PolarHBondContact O-N 3.16Å; K37-R160 PolarHBondContact O-NH2 2.96Å
38P48.1Very low58.3Low118 Ų11884 Ų8477%0.76645%0.454SS*.  trans-54.8131.2-175.822.1-33000111.1
39F46.6Very low59.4Low76 Ų7680.7 Ų80.733%0.33342%0.423SS..  trans-84.7131.5-178.4-121.5-90000110K37 S41 N45 E54K37-F39 PolarHBondContact O-N 3.16Å; F39-S41 VanDerWaalsContact C-N 3.31Å; F39-S41 PolarHBondContact O-N 3.03Å; F39-N45 VanDerWaalsContact CE1-ND2 3.27Å; F39-N45 WeakPolarHBondContact CE1-ND2 3.23Å; F39-E54 WeakPolarHBondContact CZ-O 3.32Å
40R42.3Very low60.8Low257 Ų25778.4 Ų78.497%0.9740%0.4SS*.SBendtrans-75-19.9-171.2-162-178.6-76.6-147.2-0.8113.4
41S44.8Very low61.8Low60 Ų6075.5 Ų75.542%0.4238%0.384SS..  trans-132.4148.2164-1740000108.9F39F39-S41 VanDerWaalsContact C-N 3.31Å; F39-S41 PolarHBondContact O-N 3.03Å
42Y54.1Low62.9Low25 Ų2571.8 Ų71.810%0.09836%0.359CS..  trans-121.5-46.6-162.4-105.3-51.9000110.3N44 N45 W447 R481Y42-N44 VanDerWaalsContact C-N 3.32Å; Y42-N44 PolarHBondContact O-N 3.36Å; Y42-N45 PolarHBondContact O-N 3.15Å; Y42-W447 AromaticContact CD1-CE2 3.62Å; Y42-W447 AromaticContact CD1-CZ2 3.42Å; Y42-W447 HydrophobicContact CD1-CZ2 3.42Å; Y42-W447 VanDerWaalsContact CD1-CZ2 3.42Å; Y42-W447 AromaticContact CD1-NE1 3.32Å; Y42-W447 VanDerWaalsContact CD1-NE1 3.32Å; Y42-W447 AromaticContact CD2-NE1 3.79Å; Y42-W447 HydrophobicContact CE1-CZ2 4.43Å; Y42-W447 AromaticContact CE1-NE1 3.67Å; Y42-W447 AromaticContact CG-CE2 3.6Å; Y42-W447 AromaticContact CG-CZ2 3.59Å; Y42-W447 HydrophobicContact CG-CZ2 3.59Å; Y42-W447 AromaticContact CG-NE1 3.36Å; Y42-W447 VanDerWaalsContact O-CH2 3.23Å; Y42-W447 WeakPolarHBondContact O-CH2 3.48Å; Y42-R481 HydrophobicContact CD2-CB 4.38Å; Y42-R481 HydrophobicContact CD2-CG 4.06Å; Y42-R481 VanDerWaalsContact CE2-NH1 3.33Å
43N60.2Low64Low78 Ų7869.2 Ų69.242%0.41735%0.347SS..THydrogen-bonded Turntrans-56.2-36.4-175.1-70.6-1.5000114.7W447 R481N43-W447 WeakPolarHBondContact OD1-CZ3 3.39Å; N43-R481 PolarHBondContact OD1-N 3.1Å
44N63.5Low64.8Low83 Ų8376.9 Ų76.944%0.44438%0.383SS..THydrogen-bonded Turntrans-88.9-12.6-174-64.8-6000113.8Y42 E56 L57Y42-N44 VanDerWaalsContact C-N 3.32Å; Y42-N44 PolarHBondContact O-N 3.36Å; N44-E56 HydrophobicContact CB-CB 4.18Å; N44-E56 HydrophobicContact CB-CG 3.92Å; N44-E56 WeakPolarHBondContact CB-OE1 3.23Å; N44-E56 PolarHBondContact ND2-OE1 2.78Å; N44-L57 PolarHBondContact O-N 2.84Å
45N77.3Confident66Low5 Ų574.6 Ų74.63%0.02738%0.382CS..THydrogen-bonded Turntrans-104-6.2-172.5-76.350.5000113.3F39 Y42 H53 T55 E56F39-N45 VanDerWaalsContact CE1-ND2 3.27Å; F39-N45 WeakPolarHBondContact CE1-ND2 3.23Å; Y42-N45 PolarHBondContact O-N 3.15Å; N45-H53 PolarHBondContact ND2-O 3.37Å; N45-H53 PolarHBondContact O-CD2 3.43Å; N45-H53 PolarHBondContact O-N 2.78Å; N45-T55 PolarHBondContact ND2-O 2.91Å; N45-E56 WeakPolarHBondContact OD1-CG 3.23Å
46V78Confident67.1Low26 Ų2679.2 Ų79.216%0.15840%0.398CS..BIsolated β-bridgetrans-107.4124.8-175.4-177.90000110.1I51 V52 I157 W447V46-I51 WeakPolarHBondContact CA-O 3.36Å; V46-V52 HydrophobicContact CG2-CB 4.47Å; V46-V52 HydrophobicContact CG2-CG2 3.98Å; V46-I157 HydrophobicContact CG2-CD1 4.49Å; V46-W447 HydrophobicContact CB-CH2 4.01Å; V46-W447 HydrophobicContact CB-CZ2 4.3Å; V46-W447 HydrophobicContact CG2-CH2 3.81Å; V46-W447 HydrophobicContact CG2-CZ2 3.63Å
47D77.4Confident68.1Low38 Ų3879 Ų7920%0.20339%0.393CS..  trans-78.3171.5177.570.427.5000112.7L49 G50 I51 H53 L57D47-L49 PolarHBondContact O-N 3.45Å; D47-L49 WeakPolarHBondContact OD1-CA 3.26Å; D47-L49 WeakPolarHBondContact OD1-CB 3.48Å; D47-L49 PolarHBondContact OD1-N 2.74Å; D47-G50 PolarHBondContact O-N 2.95Å; D47-G50 PolarHBondContact OD1-N 2.67Å; D47-I51 PolarHBondContact N-O 2.72Å; D47-I51 PolarHBondContact OD1-N 3.32Å; D47-I51 WeakPolarHBondContact OD2-CB 3.36Å; D47-H53 IonicContact OD2-CE1 3.54Å; D47-H53 IonicContact OD2-NE2 3.77Å; D47-H53 PolarHBondContact OD2-NE2 2.95Å; D47-L57 HydrophobicContact CB-CD1 3.71Å
48H77.4Confident69.4Low101 Ų10175.1 Ų75.147%0.46839%0.387SS..THydrogen-bonded Turntrans-60.1-8.4179.772-72.6000115.2
49L78.4Confident70.8Confident23 Ų2375.2 Ų75.212%0.1239%0.387CS..THydrogen-bonded Turntrans-106.28174.7-58.1175.7000112.5D47 I51 M104 H156 L279 G280 L283D47-L49 PolarHBondContact O-N 3.45Å; D47-L49 WeakPolarHBondContact OD1-CA 3.26Å; D47-L49 WeakPolarHBondContact OD1-CB 3.48Å; D47-L49 PolarHBondContact OD1-N 2.74Å; L49-I51 VanDerWaalsContact C-N 3.34Å; L49-M104 HydrophobicContact CD2-SD 4.37Å; L49-H156 PolarHBondContact O-CD2 3.34Å; L49-H156 PolarHBondContact O-NE2 3.2Å; L49-H156 VanDerWaalsContact O-NE2 3.07Å; L49-L279 HydrophobicContact CB-CD2 4.23Å; L49-L279 HydrophobicContact CD1-CB 4.32Å; L49-G280 VanDerWaalsContact CD1-N 3.29Å; L49-L283 HydrophobicContact CD2-CD1 4.47Å
50G82.1Confident72.1Confident12 Ų1276.7 Ų76.712%0.12440%0.398CS..SBendtrans79.49.5-179.700000114.6D47 H156 I157D47-G50 PolarHBondContact O-N 2.95Å; D47-G50 PolarHBondContact OD1-N 2.67Å; G50-H156 WeakPolarHBondContact O-CA 3.27Å; G50-I157 WeakPolarHBondContact O-CB 3.48Å; G50-I157 WeakPolarHBondContact O-CG2 3.48Å; G50-I157 PolarHBondContact O-N 3.07Å
51I82.8Confident73.9Confident29 Ų2967.5 Ų67.515%0.14937%0.371CS..BIsolated β-bridgetrans-80.2126.8176.1-57.3-61000109.9V46 D47 L49 H53 K155 H156 L279V46-I51 WeakPolarHBondContact CA-O 3.36Å; D47-I51 PolarHBondContact N-O 2.72Å; D47-I51 PolarHBondContact OD1-N 3.32Å; D47-I51 WeakPolarHBondContact OD2-CB 3.36Å; L49-I51 VanDerWaalsContact C-N 3.34Å; I51-H53 PolarHBondContact O-CD2 3.02Å; I51-K155 WeakPolarHBondContact CA-O 3.22Å; I51-K155 HydrophobicContact CG2-CB 4.08Å; I51-H156 HydrophobicContact CD1-CB 4Å; I51-L279 HydrophobicContact CD1-CB 4.3Å; I51-L279 HydrophobicContact CD1-CD2 3.74Å; I51-L279 HydrophobicContact CG1-CB 4.35Å; I51-L279 HydrophobicContact CG1-CD2 4.14Å
52V81.7Confident75.7Confident22 Ų2268.7 Ų68.713%0.13338%0.384CS..BIsolated β-bridgetrans-81.8129.4173.3-1710000109.8V46 K155 I157V46-V52 HydrophobicContact CG2-CB 4.47Å; V46-V52 HydrophobicContact CG2-CG2 3.98Å; V52-K155 PolarHBondContact N-O 3.34Å; V52-I157 HydrophobicContact CG2-CB 4.22Å
53H79.3Confident76.8Confident67 Ų6774.8 Ų74.831%0.3141%0.407SS..  trans-107.3152.9173.7-60.7-96000110.4N45 D47 I51 T55 L57N45-H53 PolarHBondContact ND2-O 3.37Å; N45-H53 PolarHBondContact O-CD2 3.43Å; N45-H53 PolarHBondContact O-N 2.78Å; D47-H53 IonicContact OD2-CE1 3.54Å; D47-H53 IonicContact OD2-NE2 3.77Å; D47-H53 PolarHBondContact OD2-NE2 2.95Å; I51-H53 PolarHBondContact O-CD2 3.02Å; H53-T55 VanDerWaalsContact C-N 3.33Å; H53-L57 HydrophobicContact CB-CD2 4.29Å
54E76.3Confident77.7Confident172 Ų17274.1 Ų74.180%0.80440%0.401SS*.SBendtrans-74-25.9179.8-65.9177.4179.200112.5F39F39-E54 WeakPolarHBondContact CZ-O 3.32Å
55T77.7Confident78.4Confident104 Ų10471.6 Ų71.664%0.63839%0.392SS*.SBendtrans-107.3156.4174.457.90000110.3N45 H53 L57N45-T55 PolarHBondContact ND2-O 2.91Å; H53-T55 VanDerWaalsContact C-N 3.33Å; T55-L57 PolarHBondContact O-N 3.39Å
56E77.4Confident78.8Confident117 Ų11776.8 Ų76.855%0.54741%0.414SS..PPolyproline II helixtrans-55.5140.5165.1-61.4-163.2132.300110N44 N45N44-E56 HydrophobicContact CB-CB 4.18Å; N44-E56 HydrophobicContact CB-CG 3.92Å; N44-E56 WeakPolarHBondContact CB-OE1 3.23Å; N44-E56 PolarHBondContact ND2-OE1 2.78Å; N45-E56 WeakPolarHBondContact OD1-CG 3.23Å
57L74.7Confident78.9Confident60 Ų6078.8 Ų78.831%0.31442%0.422SS..PPolyproline II helixtrans-76.5140.6177.6-71.7169.7000110N44 D47 H53 T55N44-L57 PolarHBondContact O-N 2.84Å; D47-L57 HydrophobicContact CB-CD1 3.71Å; H53-L57 HydrophobicContact CB-CD2 4.29Å; T55-L57 PolarHBondContact O-N 3.39Å
58P78.1Confident79Confident104 Ų10479.3 Ų79.368%0.67542%0.424SS*.PPolyproline II helixtrans-62.3152.2171.328.6-34.9000110.1L60P58-L60 PolarHBondContact O-N 3.49Å
59P75.8Confident79.4Confident120 Ų12082.2 Ų82.278%0.77943%0.431SS*.PPolyproline II helixtrans-51.5138.3174.2-2734.7000111.9T61P59-T61 PolarHBondContact O-N 3.4Å; P59-T61 VanDerWaalsContact O-N 3.14Å
60L74.6Confident79.8Confident108 Ų10887.6 Ų87.657%0.56545%0.45SS*.PPolyproline II helixtrans-50.1120.9-179.4-77.4170.2000110.9P58 E64 I68P58-L60 PolarHBondContact O-N 3.49Å; L60-E64 HydrophobicContact CD2-CB 4.07Å; L60-I68 HydrophobicContact CD1-CD1 4.09Å; L60-I68 HydrophobicContact CD2-CD1 4.13Å
61T80.9Confident79.8Confident64 Ų6489 Ų8939%0.39345%0.453SS..PPolyproline II helixtrans-64.9153.5178.165.90000110.3P59 R63 E64 A65P59-T61 PolarHBondContact O-N 3.4Å; P59-T61 VanDerWaalsContact O-N 3.14Å; T61-R63 PolarHBondContact O-N 3.47Å; T61-E64 VanDerWaalsContact CB-OE2 3.26Å; T61-E64 WeakPolarHBondContact CB-OE2 3.46Å; T61-E64 VanDerWaalsContact CG2-OE2 3.3Å; T61-E64 WeakPolarHBondContact CG2-OE2 2.92Å; T61-E64 PolarHBondContact N-OE2 3.45Å; T61-E64 PolarHBondContact O-N 3.28Å; T61-E64 PolarHBondContact OG1-N 2.93Å; T61-E64 PolarHBondContact OG1-OE2 3.43Å; T61-A65 PolarHBondContact O-N 3.13Å
62A81.2Confident79.7Confident85 Ų8592.9 Ų92.970%0.70247%0.473SS*.Hα-helixtrans-55-25.2175.400000113K66A62-K66 WeakPolarHBondContact O-CB 3.33Å; A62-K66 PolarHBondContact O-N 3.4Å; A62-K66 VanDerWaalsContact O-N 3.11Å
63R78.7Confident80Confident153 Ų15395.6 Ų95.658%0.57749%0.493SS*.Hα-helixtrans-71.9-48.5173.4179.2175.7169.6166.9-4.8112T61 K66 Q67 R334T61-R63 PolarHBondContact O-N 3.47Å; R63-K66 WeakPolarHBondContact O-CB 3.2Å; R63-K66 PolarHBondContact O-N 2.78Å; R63-Q67 PolarHBondContact O-N 2.97Å; R63-R334 PolarHBondContact NH2-O 2.62Å
64E77.6Confident80.5Confident64 Ų6494.7 Ų94.730%0.29949%0.486SS..Hα-helixtrans-65-46.2177.4-72.6142176.800110.9L60 T61 K66 Q67 I68 R334L60-E64 HydrophobicContact CD2-CB 4.07Å; T61-E64 VanDerWaalsContact CB-OE2 3.26Å; T61-E64 WeakPolarHBondContact CB-OE2 3.46Å; T61-E64 VanDerWaalsContact CG2-OE2 3.3Å; T61-E64 WeakPolarHBondContact CG2-OE2 2.92Å; T61-E64 PolarHBondContact N-OE2 3.45Å; T61-E64 PolarHBondContact O-N 3.28Å; T61-E64 PolarHBondContact OG1-N 2.93Å; T61-E64 PolarHBondContact OG1-OE2 3.43Å; E64-K66 PolarHBondContact O-N 3.22Å; E64-Q67 CarbonylContact O-C 3.6Å; E64-Q67 WeakPolarHBondContact O-CA 3.34Å; E64-Q67 WeakPolarHBondContact O-CB 3.42Å; E64-Q67 PolarHBondContact O-N 3.01Å; E64-I68 WeakPolarHBondContact O-CG1 3.31Å; E64-I68 PolarHBondContact O-N 3.35Å; E64-R334 IonicContact OE1-NH1 3.4Å
65A80Confident81.1Confident29 Ų2988.4 Ų88.424%0.2446%0.457CS..Hα-helixtrans-61.1-28.817400000113.1T61 R69T61-A65 PolarHBondContact O-N 3.13Å; A65-R69 WeakPolarHBondContact O-CB 3.32Å; A65-R69 VanDerWaalsContact O-CG 3.32Å; A65-R69 WeakPolarHBondContact O-CG 3Å; A65-R69 PolarHBondContact O-N 3.18Å; A65-R69 PolarHBondContact O-NE 3.06Å
66K84.8Confident81.8Confident114 Ų11486.6 Ų86.650%0.49645%0.448SS..Hα-helixtrans-76.6-31.9171.9-175.4173.5-173.1170.10112.1A62 R63 E64 R70A62-K66 WeakPolarHBondContact O-CB 3.33Å; A62-K66 PolarHBondContact O-N 3.4Å; A62-K66 VanDerWaalsContact O-N 3.11Å; R63-K66 WeakPolarHBondContact O-CB 3.2Å; R63-K66 PolarHBondContact O-N 2.78Å; E64-K66 PolarHBondContact O-N 3.22Å; K66-R70 WeakPolarHBondContact O-CB 3.02Å; K66-R70 WeakPolarHBondContact O-CD 3.22Å; K66-R70 WeakPolarHBondContact O-CG 3.32Å; K66-R70 PolarHBondContact O-N 2.97Å; K66-R70 VanDerWaalsContact O-N 3.14Å
67Q80.9Confident82.5Confident68 Ų6886 Ų8632%0.31844%0.443SS..Hα-helixtrans-69.5-49.8173.5178.3170.7-19.300111.4R63 E64 R69 R70 E71R63-Q67 PolarHBondContact O-N 2.97Å; E64-Q67 CarbonylContact O-C 3.6Å; E64-Q67 WeakPolarHBondContact O-CA 3.34Å; E64-Q67 WeakPolarHBondContact O-CB 3.42Å; E64-Q67 PolarHBondContact O-N 3.01Å; Q67-R69 VanDerWaalsContact C-N 3.32Å; Q67-R69 PolarHBondContact O-N 2.71Å; Q67-R70 CarbonylContact O-C 3.43Å; Q67-R70 WeakPolarHBondContact O-CA 3.33Å; Q67-R70 WeakPolarHBondContact O-CB 3.44Å; Q67-R70 PolarHBondContact O-N 3.35Å; Q67-E71 VanDerWaalsContact CG-OE1 3.27Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.29Å; Q67-E71 PolarHBondContact NE2-OE1 3.43Å; Q67-E71 PolarHBondContact O-N 2.92Å
68I79.7Confident83.4Confident49 Ų4983.1 Ų83.125%0.25143%0.429SS..Hα-helixtrans-55.2-47.1176.5-66166000110.5L60 E64 R70 E71 I72L60-I68 HydrophobicContact CD1-CD1 4.09Å; L60-I68 HydrophobicContact CD2-CD1 4.13Å; E64-I68 WeakPolarHBondContact O-CG1 3.31Å; E64-I68 PolarHBondContact O-N 3.35Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 3.31Å; I68-E71 PolarHBondContact O-N 3.26Å; I68-E71 VanDerWaalsContact O-N 3.12Å; I68-I72 HydrophobicContact CG2-CD1 3.82Å; I68-I72 WeakPolarHBondContact O-CG1 3.42Å; I68-I72 PolarHBondContact O-N 2.93Å
69R84.7Confident84.1Confident162 Ų16280.8 Ų80.861%0.61141%0.412SS*.Hα-helixtrans-60.5-34.7174-76.5-177.9-73.4177.2-6.8113.8A65 Q67 S73A65-R69 WeakPolarHBondContact O-CB 3.32Å; A65-R69 VanDerWaalsContact O-CG 3.32Å; A65-R69 WeakPolarHBondContact O-CG 3Å; A65-R69 PolarHBondContact O-N 3.18Å; A65-R69 PolarHBondContact O-NE 3.06Å; Q67-R69 VanDerWaalsContact C-N 3.32Å; Q67-R69 PolarHBondContact O-N 2.71Å; R69-S73 WeakPolarHBondContact O-CB 3.15Å; R69-S73 PolarHBondContact O-N 2.79Å; R69-S73 PolarHBondContact O-OG 3.31Å
70R86.3Confident84.9Confident137 Ų13779.7 Ų79.752%0.51740%0.4SS..Hα-helixtrans-72.5-29174.8-77.6166.1166.7-172.9-5.1113K66 Q67 I68 S73 R74K66-R70 WeakPolarHBondContact O-CB 3.02Å; K66-R70 WeakPolarHBondContact O-CD 3.22Å; K66-R70 WeakPolarHBondContact O-CG 3.32Å; K66-R70 PolarHBondContact O-N 2.97Å; K66-R70 VanDerWaalsContact O-N 3.14Å; Q67-R70 CarbonylContact O-C 3.43Å; Q67-R70 WeakPolarHBondContact O-CA 3.33Å; Q67-R70 WeakPolarHBondContact O-CB 3.44Å; Q67-R70 PolarHBondContact O-N 3.35Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 3.31Å; R70-S73 PolarHBondContact O-OG 2.93Å; R70-R74 VanDerWaalsContact O-CD 3.23Å; R70-R74 WeakPolarHBondContact O-CD 3.38Å; R70-R74 VanDerWaalsContact O-CG 3.23Å; R70-R74 WeakPolarHBondContact O-CG 3.01Å; R70-R74 PolarHBondContact O-NE 2.89Å
71E82.6Confident85.9Confident41 Ų4174.8 Ų74.819%0.19237%0.374CS..Hα-helixtrans-75.4-48.2174.9-71.5172.6-160.600110.2Q67 I68 S73 R74 P103Q67-E71 VanDerWaalsContact CG-OE1 3.27Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.29Å; Q67-E71 PolarHBondContact NE2-OE1 3.43Å; Q67-E71 PolarHBondContact O-N 2.92Å; I68-E71 PolarHBondContact O-N 3.26Å; I68-E71 VanDerWaalsContact O-N 3.12Å; E71-S73 VanDerWaalsContact C-N 3.33Å; E71-S73 PolarHBondContact O-N 3.04Å; E71-R74 WeakPolarHBondContact O-CB 3.48Å; E71-R74 PolarHBondContact O-N 2.96Å; E71-P103 WeakPolarHBondContact O-CG 3.45Å
72I81.6Confident86.4Confident111 Ų11173.8 Ų73.857%0.56937%0.366SS*.Hα-helixtrans-56.4-45.4174.2-65167.4000111.1I68 R74 K75I68-I72 HydrophobicContact CG2-CD1 3.82Å; I68-I72 WeakPolarHBondContact O-CG1 3.42Å; I68-I72 PolarHBondContact O-N 2.93Å; I72-R74 PolarHBondContact O-N 2.94Å; I72-R74 VanDerWaalsContact O-N 3.09Å; I72-K75 WeakPolarHBondContact O-CB 3.35Å; I72-K75 PolarHBondContact O-N 3.2Å
73S87.7Confident86.9Confident78 Ų7873.4 Ų73.455%0.54537%0.37SS..THydrogen-bonded Turntrans-68.7-6.5179.369.50000115R69 R70 E71R69-S73 WeakPolarHBondContact O-CB 3.15Å; R69-S73 PolarHBondContact O-N 2.79Å; R69-S73 PolarHBondContact O-OG 3.31Å; R70-S73 PolarHBondContact O-OG 2.93Å; E71-S73 VanDerWaalsContact C-N 3.33Å; E71-S73 PolarHBondContact O-N 3.04Å
74R89.6Confident87.6Confident48 Ų4869 Ų6918%0.18136%0.358CS..THydrogen-bonded Turntrans-88.1-16.1169.5-67.2159.4-176.6-178-3.5112.7R70 E71 I72 S76 K77 W78 K100 P103R70-R74 VanDerWaalsContact O-CD 3.23Å; R70-R74 WeakPolarHBondContact O-CD 3.38Å; R70-R74 VanDerWaalsContact O-CG 3.23Å; R70-R74 WeakPolarHBondContact O-CG 3.01Å; R70-R74 PolarHBondContact O-NE 2.89Å; E71-R74 WeakPolarHBondContact O-CB 3.48Å; E71-R74 PolarHBondContact O-N 2.96Å; I72-R74 PolarHBondContact O-N 2.94Å; I72-R74 VanDerWaalsContact O-N 3.09Å; R74-S76 PolarHBondContact O-N 3.34Å; R74-K77 PolarHBondContact O-N 2.75Å; R74-W78 VanDerWaalsContact O-CD1 3.32Å; R74-W78 PolarHBondContact O-N 2.84Å; R74-K100 PolarHBondContact NH1-O 3.38Å; R74-K100 PolarHBondContact NH2-O 2.93Å; R74-P103 HydrophobicContact CB-CG 4.14Å
75K89.4Confident88.3Confident41 Ų4168 Ų6818%0.17835%0.352CS..Hα-helixtrans-50.6-51.8-173.3-170-167.6-178.5-175.30112.4I72 K77 W78 V79 N105 I106 F474I72-K75 WeakPolarHBondContact O-CB 3.35Å; I72-K75 PolarHBondContact O-N 3.2Å; K75-K77 VanDerWaalsContact C-N 3.32Å; K75-K77 PolarHBondContact O-N 2.96Å; K75-W78 WeakPolarHBondContact O-CB 3.48Å; K75-W78 PolarHBondContact O-N 3.45Å; K75-V79 HydrophobicContact CG-CG2 4.3Å; K75-V79 PolarHBondContact O-N 2.65Å; K75-N105 WeakPolarHBondContact CE-ND2 3.38Å; K75-I106 HydrophobicContact CG-CD1 3.9Å; K75-I106 HydrophobicContact CG-CG1 4.12Å; K75-F474 PolarHBondContact NZ-O 3.28Å
76S90.7Very high88.8Confident65 Ų6573 Ų7346%0.45537%0.37SS..Hα-helixtrans-51-51.4-179.349.70000111.8R74 W78 V79 D80R74-S76 PolarHBondContact O-N 3.34Å; S76-W78 PolarHBondContact O-N 2.8Å; S76-V79 CarbonylContact O-C 3.44Å; S76-V79 WeakPolarHBondContact O-CA 3.18Å; S76-V79 WeakPolarHBondContact O-CB 3.45Å; S76-V79 PolarHBondContact O-N 3Å; S76-D80 PolarHBondContact O-N 3.43Å
77K93Very high89.1Confident104 Ų10473.6 Ų73.645%0.45237%0.372SS..Hα-helixtrans-65.6-14.9-178.3-57.3-178-175.4178.50114.3R74 K75 D80 M81R74-K77 PolarHBondContact O-N 2.75Å; K75-K77 VanDerWaalsContact C-N 3.32Å; K75-K77 PolarHBondContact O-N 2.96Å; K77-D80 WeakPolarHBondContact CA-OD2 3.34Å; K77-M81 WeakPolarHBondContact O-CG 3.46Å
78W93.5Very high89.6Confident1 Ų172.1 Ų72.10%0.00436%0.364CS..Hα-helixtrans-90.2-38.7170.1-76.4100.8000111.9R74 K75 S76 D80 M81 L82 L94 R97 A98 M102 P103 I106 M110R74-W78 VanDerWaalsContact O-CD1 3.32Å; R74-W78 PolarHBondContact O-N 2.84Å; K75-W78 WeakPolarHBondContact O-CB 3.48Å; K75-W78 PolarHBondContact O-N 3.45Å; S76-W78 PolarHBondContact O-N 2.8Å; W78-D80 VanDerWaalsContact C-N 3.33Å; W78-M81 HydrophobicContact CD2-CE 3.64Å; W78-M81 HydrophobicContact CE3-CE 3.34Å; W78-M81 HydrophobicContact CG-CE 4.2Å; W78-M81 HydrophobicContact CH2-CE 4.41Å; W78-M81 HydrophobicContact CZ3-CE 3.75Å; W78-M81 PolarHBondContact O-N 2.61Å; W78-M81 VanDerWaalsContact O-N 3.13Å; W78-L82 PolarHBondContact O-N 3.32Å; W78-L94 HydrophobicContact CZ3-CD1 3.89Å; W78-R97 HydrophobicContact CH2-CB 3.92Å; W78-R97 HydrophobicContact CZ2-CB 3.62Å; W78-A98 HydrophobicContact CH2-CB 4.46Å; W78-M102 HydrophobicContact CD2-CG 4.16Å; W78-M102 HydrophobicContact CE3-CG 4.2Å; W78-M102 HydrophobicContact CH2-CB 4.25Å; W78-M102 HydrophobicContact CH2-CE 3.88Å; W78-M102 HydrophobicContact CH2-CG 3.99Å; W78-M102 HydrophobicContact CZ2-CB 3.97Å; W78-M102 HydrophobicContact CZ2-CG 3.9Å; W78-M102 HydrophobicContact CZ3-CE 3.92Å; W78-M102 HydrophobicContact CZ3-CG 4.14Å; W78-M102 HydrophobicContact CZ3-SD 4.41Å; W78-P103 VanDerWaalsContact NE1-CD 3.27Å; W78-I106 HydrophobicContact CB-CB 4.43Å; W78-I106 HydrophobicContact CB-CD1 4.24Å; W78-I106 HydrophobicContact CB-CG1 4.01Å; W78-I106 HydrophobicContact CB-CG2 3.67Å; W78-I106 HydrophobicContact CD2-CG2 4.11Å; W78-I106 HydrophobicContact CE3-CG2 4.13Å; W78-I106 HydrophobicContact CG-CG2 3.96Å; W78-M110 HydrophobicContact CE3-CE 3.69Å; W78-M110 HydrophobicContact CE3-CG 4.36Å; W78-M110 HydrophobicContact CZ3-CE 3.91Å; W78-M110 HydrophobicContact CZ3-CG 4.04Å; W78-M110 HydrophobicContact CZ3-SD 4.38Å
79V92.9Very high89.9Confident55 Ų5572.8 Ų72.833%0.33337%0.365SS..Hα-helixtrans-59.6-44.1170.6177.50000110.5K75 S76 M81 L82 G83 I106K75-V79 HydrophobicContact CG-CG2 4.3Å; K75-V79 PolarHBondContact O-N 2.65Å; S76-V79 CarbonylContact O-C 3.44Å; S76-V79 WeakPolarHBondContact O-CA 3.18Å; S76-V79 WeakPolarHBondContact O-CB 3.45Å; S76-V79 PolarHBondContact O-N 3Å; V79-M81 PolarHBondContact O-N 2.99Å; V79-L82 PolarHBondContact O-N 3.3Å; V79-L82 VanDerWaalsContact O-N 3.11Å; V79-G83 PolarHBondContact O-N 3.39Å; V79-I106 HydrophobicContact CG2-CD1 3.91Å
80D93Very high89.9Confident96 Ų9670.4 Ų70.451%0.51337%0.373SS..Hα-helixtrans-57.9-31.8174.6-54.9-23.1000112.7S76 K77 W78S76-D80 PolarHBondContact O-N 3.43Å; K77-D80 WeakPolarHBondContact CA-OD2 3.34Å; W78-D80 VanDerWaalsContact C-N 3.33Å
81M93.9Very high90.1Very high6 Ų664.9 Ų64.93%0.0336%0.356CS..Hα-helixtrans-82.3-29.9177.8-71.6-172.4-5100112.9K77 W78 V79 W85 Y88 L94 R97K77-M81 WeakPolarHBondContact O-CG 3.46Å; W78-M81 HydrophobicContact CD2-CE 3.64Å; W78-M81 HydrophobicContact CE3-CE 3.34Å; W78-M81 HydrophobicContact CG-CE 4.2Å; W78-M81 HydrophobicContact CH2-CE 4.41Å; W78-M81 HydrophobicContact CZ3-CE 3.75Å; W78-M81 PolarHBondContact O-N 2.61Å; W78-M81 VanDerWaalsContact O-N 3.13Å; V79-M81 PolarHBondContact O-N 2.99Å; M81-W85 WeakPolarHBondContact O-CA 3.49Å; M81-W85 PolarHBondContact O-N 3Å; M81-Y88 HydrophobicContact CB-CD2 4.03Å; M81-Y88 HydrophobicContact CB-CG 4.07Å; M81-Y88 HydrophobicContact CG-CD1 3.87Å; M81-Y88 HydrophobicContact CG-CD2 3.98Å; M81-Y88 HydrophobicContact CG-CE1 4.11Å; M81-Y88 HydrophobicContact CG-CE2 4.19Å; M81-Y88 HydrophobicContact CG-CG 3.81Å; M81-Y88 HydrophobicContact SD-CD1 4.27Å; M81-L94 HydrophobicContact CE-CD1 4.27Å; M81-R97 HydrophobicContact CE-CB 3.92Å; M81-R97 HydrophobicContact CE-CG 3.84Å; M81-R97 HydrophobicContact SD-CG 4.12Å
82L92.7Very high90.5Very high43 Ų4372.5 Ų72.523%0.22538%0.383CS..Hα-helixtrans-71.3-39.8173.7-73.4166.9000111.4W78 V79 D84 W85 P109 M110 V113W78-L82 PolarHBondContact O-N 3.32Å; V79-L82 PolarHBondContact O-N 3.3Å; V79-L82 VanDerWaalsContact O-N 3.11Å; L82-D84 PolarHBondContact O-N 3.18Å; L82-W85 PolarHBondContact O-N 2.79Å; L82-P109 HydrophobicContact CD1-CB 4.02Å; L82-M110 HydrophobicContact CD2-CB 4.41Å; L82-M110 HydrophobicContact CD2-CE 3.48Å; L82-M110 VanDerWaalsContact CD2-CE 3.48Å; L82-M110 HydrophobicContact CD2-SD 4.16Å; L82-M110 HydrophobicContact CG-CE 3.7Å; L82-V113 HydrophobicContact CD2-CB 4.35Å; L82-V113 HydrophobicContact CD2-CG1 4.47Å; L82-V113 HydrophobicContact CD2-CG2 4.23Å
83G92.2Very high91.1Very high76 Ų7673.5 Ų73.578%0.78438%0.383SS*.THydrogen-bonded Turntrans-67.2-17.4179.500000115.4V79V79-G83 PolarHBondContact O-N 3.39Å
84D92.1Very high91.3Very high61 Ų6170 Ų7033%0.32636%0.358SS..THydrogen-bonded Turntrans-133.544.9-179.9-168.3-5.7000109.4L82 E86 K87 Y88L82-D84 PolarHBondContact O-N 3.18Å; D84-E86 VanDerWaalsContact C-N 3.29Å; D84-E86 PolarHBondContact O-N 2.74Å; D84-K87 PolarHBondContact O-N 2.82Å; D84-K87 VanDerWaalsContact O-N 3.16Å; D84-K87 VanDerWaalsContact OD1-CB 3.23Å; D84-K87 WeakPolarHBondContact OD1-CB 3.42Å; D84-K87 WeakPolarHBondContact OD1-CD 3.4Å; D84-K87 WeakPolarHBondContact OD2-CD 3.35Å; D84-K87 WeakPolarHBondContact OD2-CE 3.48Å; D84-K87 IonicContact OD2-NZ 2.66Å; D84-K87 PolarHBondContact OD2-NZ 3.42Å; D84-Y88 HydrophobicContact CB-CD2 4.04Å; D84-Y88 HydrophobicContact CB-CE2 3.95Å; D84-Y88 VanDerWaalsContact O-CD2 3.24Å; D84-Y88 WeakPolarHBondContact O-CD2 3.24Å; D84-Y88 PolarHBondContact O-N 3.44Å
85W92Very high91.4Very high44 Ų4469.8 Ų69.817%0.16736%0.36CS..Hα-helixtrans-55-41.3-169.7177.2-120.8000113.5M81 L82 K87 Y88 K89 L94 M110 V113 L114M81-W85 WeakPolarHBondContact O-CA 3.49Å; M81-W85 PolarHBondContact O-N 3Å; L82-W85 PolarHBondContact O-N 2.79Å; W85-K87 PolarHBondContact O-N 2.73Å; W85-K87 VanDerWaalsContact O-N 3.14Å; W85-Y88 CarbonylContact O-C 3.6Å; W85-Y88 PolarHBondContact O-N 3.04Å; W85-K89 HydrophobicContact CD2-CB 3.93Å; W85-K89 VanDerWaalsContact CE2-CB 3.46Å; W85-K89 HydrophobicContact CE3-CB 4.38Å; W85-K89 HydrophobicContact CH2-CB 4.03Å; W85-K89 HydrophobicContact CZ2-CB 3.53Å; W85-K89 HydrophobicContact CZ3-CB 4.43Å; W85-K89 WeakPolarHBondContact O-CB 3.23Å; W85-K89 PolarHBondContact O-N 3.25Å; W85-L94 HydrophobicContact CH2-CD2 3.59Å; W85-L94 HydrophobicContact CZ3-CD1 4.16Å; W85-L94 HydrophobicContact CZ3-CD2 3.74Å; W85-M110 HydrophobicContact CH2-SD 4.12Å; W85-M110 HydrophobicContact CZ3-CE 4.09Å; W85-M110 HydrophobicContact CZ3-SD 3.78Å; W85-V113 HydrophobicContact CB-CG1 4.46Å; W85-V113 HydrophobicContact CD2-CG1 3.32Å; W85-V113 HydrophobicContact CE3-CG1 3.92Å; W85-V113 HydrophobicContact CG-CG1 3.54Å; W85-V113 HydrophobicContact CH2-CG1 4.28Å; W85-V113 HydrophobicContact CZ2-CG1 3.74Å; W85-V113 HydrophobicContact CZ3-CG1 4.37Å; W85-V113 VanDerWaalsContact NE1-CG1 3.31Å; W85-L114 HydrophobicContact CH2-CD2 3.66Å; W85-L114 HydrophobicContact CH2-CG 4.22Å; W85-L114 HydrophobicContact CZ2-CD2 4.14Å
86E90.4Very high91.6Very high132 Ų13269.9 Ų69.962%0.61736%0.363SS*.Hα-helixtrans-56.4-33.1-178.5-75.4-61.1102.300113.7D84 K89D84-E86 VanDerWaalsContact C-N 3.29Å; D84-E86 PolarHBondContact O-N 2.74Å; E86-K89 WeakPolarHBondContact OE1-CE 3.42Å; E86-K89 IonicContact OE1-NZ 3.74Å; E86-K89 PolarHBondContact OE1-NZ 3.33Å; E86-K89 WeakPolarHBondContact OE2-CE 3.4Å; E86-K89 IonicContact OE2-NZ 2.79Å; E86-K89 PolarHBondContact OE2-NZ 2.72Å
87K91.8Very high91.8Very high127 Ų12770 Ų7055%0.55235%0.353SS*.Hα-helixtrans-82-30.6175.4175.6-169.1-175.6172.40112.9D84 W85D84-K87 PolarHBondContact O-N 2.82Å; D84-K87 VanDerWaalsContact O-N 3.16Å; D84-K87 VanDerWaalsContact OD1-CB 3.23Å; D84-K87 WeakPolarHBondContact OD1-CB 3.42Å; D84-K87 WeakPolarHBondContact OD1-CD 3.4Å; D84-K87 WeakPolarHBondContact OD2-CD 3.35Å; D84-K87 WeakPolarHBondContact OD2-CE 3.48Å; D84-K87 IonicContact OD2-NZ 2.66Å; D84-K87 PolarHBondContact OD2-NZ 3.42Å; W85-K87 PolarHBondContact O-N 2.73Å; W85-K87 VanDerWaalsContact O-N 3.14Å
88Y90.9Very high91.8Very high38 Ų3865.1 Ų65.115%0.14933%0.332CS..Hα-helixtrans-93.9-23-174-72.8-67.9000114.7M81 D84 W85 S90 S91 K93M81-Y88 HydrophobicContact CB-CD2 4.03Å; M81-Y88 HydrophobicContact CB-CG 4.07Å; M81-Y88 HydrophobicContact CG-CD1 3.87Å; M81-Y88 HydrophobicContact CG-CD2 3.98Å; M81-Y88 HydrophobicContact CG-CE1 4.11Å; M81-Y88 HydrophobicContact CG-CE2 4.19Å; M81-Y88 HydrophobicContact CG-CG 3.81Å; M81-Y88 HydrophobicContact SD-CD1 4.27Å; D84-Y88 HydrophobicContact CB-CD2 4.04Å; D84-Y88 HydrophobicContact CB-CE2 3.95Å; D84-Y88 VanDerWaalsContact O-CD2 3.24Å; D84-Y88 WeakPolarHBondContact O-CD2 3.24Å; D84-Y88 PolarHBondContact O-N 3.44Å; W85-Y88 CarbonylContact O-C 3.6Å; W85-Y88 PolarHBondContact O-N 3.04Å; Y88-S90 VanDerWaalsContact C-N 3.31Å; Y88-S90 PolarHBondContact O-N 3Å; Y88-S91 VanDerWaalsContact O-CB 3.22Å; Y88-S91 WeakPolarHBondContact O-CB 3.39Å; Y88-S91 PolarHBondContact O-N 3.36Å; Y88-S91 PolarHBondContact O-OG 3.15Å; Y88-K93 HydrophobicContact CD1-CB 4.42Å; Y88-K93 HydrophobicContact CD1-CD 4.44Å; Y88-K93 HydrophobicContact CE1-CD 3.83Å
89K87.4Confident91.7Very high63 Ų6365.6 Ų65.627%0.27433%0.334SS..THydrogen-bonded Turntrans-54.8-38.6-17466.4-175.8174.5-175.70115W85 E86W85-K89 HydrophobicContact CD2-CB 3.93Å; W85-K89 VanDerWaalsContact CE2-CB 3.46Å; W85-K89 HydrophobicContact CE3-CB 4.38Å; W85-K89 HydrophobicContact CH2-CB 4.03Å; W85-K89 HydrophobicContact CZ2-CB 3.53Å; W85-K89 HydrophobicContact CZ3-CB 4.43Å; W85-K89 WeakPolarHBondContact O-CB 3.23Å; W85-K89 PolarHBondContact O-N 3.25Å; E86-K89 WeakPolarHBondContact OE1-CE 3.42Å; E86-K89 IonicContact OE1-NZ 3.74Å; E86-K89 PolarHBondContact OE1-NZ 3.33Å; E86-K89 WeakPolarHBondContact OE2-CE 3.4Å; E86-K89 IonicContact OE2-NZ 2.79Å; E86-K89 PolarHBondContact OE2-NZ 2.72Å
90S84.6Confident91.7Very high111 Ų11166.7 Ų66.778%0.77633%0.334SS*.THydrogen-bonded Turntrans-103.913.9176.6-52.30000112.9Y88Y88-S90 VanDerWaalsContact C-N 3.31Å; Y88-S90 PolarHBondContact O-N 3Å
91S90.2Very high91.5Very high21 Ų2162.3 Ų62.315%0.14731%0.312CS..  trans-87.1139-171.9790000112.4Y88 K93 L94Y88-S91 VanDerWaalsContact O-CB 3.22Å; Y88-S91 WeakPolarHBondContact O-CB 3.39Å; Y88-S91 PolarHBondContact O-N 3.36Å; Y88-S91 PolarHBondContact O-OG 3.15Å; S91-K93 PolarHBondContact O-N 2.9Å; S91-L94 WeakPolarHBondContact O-CB 3.41Å; S91-L94 PolarHBondContact O-N 3.46Å; S91-L94 PolarHBondContact OG-N 2.82Å
92R91.2Very high91.4Very high202 Ų20262.1 Ų62.176%0.76231%0.311SS*.Hα-helixtrans-56.9-23.9167.9-170.4178.1-68.2168.6-0.1112.3D96R92-D96 VanDerWaalsContact O-CB 3.25Å; R92-D96 WeakPolarHBondContact O-CB 3.28Å; R92-D96 PolarHBondContact O-N 3.43Å
93K93.1Very high91.3Very high132 Ų13260.2 Ų60.257%0.57430%0.301SS*.Hα-helixtrans-63.5-40.4176-71.2177.8176.8177.40112.1Y88 S91 R97Y88-K93 HydrophobicContact CD1-CB 4.42Å; Y88-K93 HydrophobicContact CD1-CD 4.44Å; Y88-K93 HydrophobicContact CE1-CD 3.83Å; S91-K93 PolarHBondContact O-N 2.9Å; K93-R97 WeakPolarHBondContact O-CG 3.48Å; K93-R97 PolarHBondContact O-N 3.34Å; K93-R97 VanDerWaalsContact O-N 3.12Å
94L93Very high91Very high3 Ų360.7 Ų60.72%0.01628%0.284CS..Hα-helixtrans-62.8-52.7176.2176.764.4000110.7W78 M81 W85 S91 D96 R97 A98 M110 L114 V291W78-L94 HydrophobicContact CZ3-CD1 3.89Å; M81-L94 HydrophobicContact CE-CD1 4.27Å; W85-L94 HydrophobicContact CH2-CD2 3.59Å; W85-L94 HydrophobicContact CZ3-CD1 4.16Å; W85-L94 HydrophobicContact CZ3-CD2 3.74Å; S91-L94 WeakPolarHBondContact O-CB 3.41Å; S91-L94 PolarHBondContact O-N 3.46Å; S91-L94 PolarHBondContact OG-N 2.82Å; L94-D96 VanDerWaalsContact C-N 3.34Å; L94-D96 PolarHBondContact O-N 2.77Å; L94-R97 WeakPolarHBondContact O-CA 3.37Å; L94-R97 WeakPolarHBondContact O-CB 3.25Å; L94-R97 PolarHBondContact O-N 2.93Å; L94-A98 PolarHBondContact O-N 3.14Å; L94-M110 HydrophobicContact CD1-CE 4.32Å; L94-M110 HydrophobicContact CD1-SD 4.3Å; L94-L114 HydrophobicContact CD2-CD2 4.43Å; L94-V291 HydrophobicContact CD2-CG1 4.21Å; L94-V291 HydrophobicContact CG-CG1 3.98Å; L94-V291 HydrophobicContact CG-CG2 4.42Å
95I92.3Very high90.6Very high45 Ų4561.5 Ų61.523%0.23129%0.288CS..Hα-helixtrans-53.8-50.8175.9-57.2171.8000110.3R97 A98 Y99 V291 E292I95-R97 PolarHBondContact O-N 3.15Å; I95-R97 VanDerWaalsContact O-N 3.11Å; I95-A98 PolarHBondContact O-N 2.91Å; I95-Y99 HydrophobicContact CG2-CD2 3.92Å; I95-Y99 HydrophobicContact CG2-CE2 3.62Å; I95-Y99 VanDerWaalsContact O-CD2 3.27Å; I95-Y99 WeakPolarHBondContact O-CD2 3.48Å; I95-Y99 PolarHBondContact O-N 3.12Å; I95-V291 HydrophobicContact CB-CG1 4.45Å; I95-V291 HydrophobicContact CG1-CG1 3.9Å; I95-E292 HydrophobicContact CG2-CG 4.35Å
96D93.2Very high90.6Very high43 Ų4359.6 Ų59.623%0.2328%0.281CS..Hα-helixtrans-62-18178.2-93.453000115R92 L94 K100 R344R92-D96 VanDerWaalsContact O-CB 3.25Å; R92-D96 WeakPolarHBondContact O-CB 3.28Å; R92-D96 PolarHBondContact O-N 3.43Å; L94-D96 VanDerWaalsContact C-N 3.34Å; L94-D96 PolarHBondContact O-N 2.77Å; D96-K100 VanDerWaalsContact O-CD 3.23Å; D96-K100 WeakPolarHBondContact O-CD 3.23Å; D96-K100 VanDerWaalsContact O-CE 3.24Å; D96-K100 WeakPolarHBondContact O-CE 3.37Å; D96-K100 WeakPolarHBondContact O-CG 3.45Å; D96-K100 PolarHBondContact O-NZ 3.46Å; D96-R344 IonicContact OD1-CZ 3.62Å; D96-R344 IonicContact OD1-NH2 3Å; D96-R344 PolarHBondContact OD1-NH2 3.26Å; D96-R344 IonicContact OD2-CZ 3.7Å; D96-R344 IonicContact OD2-NH1 2.73Å; D96-R344 IonicContact OD2-NH2 3.68Å; D96-R344 PolarHBondContact OD2-NH2 3.06Å
97R93.6Very high90.7Very high67 Ų6754 Ų5425%0.25325%0.254SS..Hα-helixtrans-90.9-42.7174.4-70.4-81173.1-159.2-6.3111.2W78 M81 K93 L94 I95 Y99 K100 G101W78-R97 HydrophobicContact CH2-CB 3.92Å; W78-R97 HydrophobicContact CZ2-CB 3.62Å; M81-R97 HydrophobicContact CE-CB 3.92Å; M81-R97 HydrophobicContact CE-CG 3.84Å; M81-R97 HydrophobicContact SD-CG 4.12Å; K93-R97 WeakPolarHBondContact O-CG 3.48Å; K93-R97 PolarHBondContact O-N 3.34Å; K93-R97 VanDerWaalsContact O-N 3.12Å; L94-R97 WeakPolarHBondContact O-CA 3.37Å; L94-R97 WeakPolarHBondContact O-CB 3.25Å; L94-R97 PolarHBondContact O-N 2.93Å; I95-R97 PolarHBondContact O-N 3.15Å; I95-R97 VanDerWaalsContact O-N 3.11Å; R97-Y99 VanDerWaalsContact C-N 3.35Å; R97-Y99 PolarHBondContact O-N 3.44Å; R97-K100 WeakPolarHBondContact O-CA 3.34Å; R97-K100 WeakPolarHBondContact O-CB 3.44Å; R97-K100 PolarHBondContact O-N 3.09Å; R97-G101 PolarHBondContact O-N 2.92Å
98A93.2Very high90.8Very high1 Ų148.2 Ų48.21%0.00823%0.231CC..Hα-helixtrans-52.8-50174.800000111.7W78 L94 I95 K100 G101 V288 V291W78-A98 HydrophobicContact CH2-CB 4.46Å; L94-A98 PolarHBondContact O-N 3.14Å; I95-A98 PolarHBondContact O-N 2.91Å; A98-K100 PolarHBondContact O-N 2.92Å; A98-K100 VanDerWaalsContact O-N 3.12Å; A98-G101 WeakPolarHBondContact O-CA 3.3Å; A98-G101 PolarHBondContact O-N 3.47Å; A98-V288 HydrophobicContact CB-CG2 4.42Å; A98-V291 HydrophobicContact CB-CB 4.24Å; A98-V291 HydrophobicContact CB-CG1 4.24Å; A98-V291 HydrophobicContact CB-CG2 4.07Å
99Y92.9Very high91Very high11 Ų1148.8 Ų48.84%0.04324%0.239CC..THydrogen-bonded Turntrans-60.2-24.9175.9-79.3-73.3000115.1I95 R97 G101 R284 V288 E292 L340 L343 R344 M347I95-Y99 HydrophobicContact CG2-CD2 3.92Å; I95-Y99 HydrophobicContact CG2-CE2 3.62Å; I95-Y99 VanDerWaalsContact O-CD2 3.27Å; I95-Y99 WeakPolarHBondContact O-CD2 3.48Å; I95-Y99 PolarHBondContact O-N 3.12Å; R97-Y99 VanDerWaalsContact C-N 3.35Å; R97-Y99 PolarHBondContact O-N 3.44Å; Y99-G101 VanDerWaalsContact C-N 3.34Å; Y99-R284 PolarHBondContact O-NH2 3.19Å; Y99-V288 HydrophobicContact CD1-CG2 4.01Å; Y99-V288 HydrophobicContact CE1-CG1 3.81Å; Y99-V288 HydrophobicContact CE1-CG2 4.11Å; Y99-V288 HydrophobicContact CE2-CG1 4.34Å; Y99-V288 HydrophobicContact CG-CG2 4.37Å; Y99-E292 HydrophobicContact CE2-CG 4.41Å; Y99-E292 WeakPolarHBondContact CE2-OE1 3.4Å; Y99-E292 VanDerWaalsContact CZ-OE1 3.26Å; Y99-E292 PolarHBondContact OH-OE1 3.09Å; Y99-L340 HydrophobicContact CD1-CD1 4.28Å; Y99-L343 HydrophobicContact CE1-CB 4.33Å; Y99-L343 HydrophobicContact CE1-CD2 4.04Å; Y99-L343 HydrophobicContact CE1-CG 3.99Å; Y99-R344 HydrophobicContact CD1-CB 3.63Å; Y99-R344 HydrophobicContact CD1-CG 4Å; Y99-R344 HydrophobicContact CD2-CG 3.97Å; Y99-R344 HydrophobicContact CE1-CB 3.59Å; Y99-R344 HydrophobicContact CE1-CG 4Å; Y99-R344 HydrophobicContact CE2-CB 4.49Å; Y99-R344 HydrophobicContact CE2-CG 3.99Å; Y99-R344 HydrophobicContact CG-CB 4.12Å; Y99-R344 HydrophobicContact CG-CG 3.99Å; Y99-M347 WeakPolarHBondContact OH-CG 3.33Å
100K91.4Very high91.3Very high79 Ų7945.8 Ų45.834%0.34323%0.226SC..THydrogen-bonded Turntrans-77.5-24.7175.4-69.2167.5-174156.80111.3R74 D96 R97 A98 R284R74-K100 PolarHBondContact NH1-O 3.38Å; R74-K100 PolarHBondContact NH2-O 2.93Å; D96-K100 VanDerWaalsContact O-CD 3.23Å; D96-K100 WeakPolarHBondContact O-CD 3.23Å; D96-K100 VanDerWaalsContact O-CE 3.24Å; D96-K100 WeakPolarHBondContact O-CE 3.37Å; D96-K100 WeakPolarHBondContact O-CG 3.45Å; D96-K100 PolarHBondContact O-NZ 3.46Å; R97-K100 WeakPolarHBondContact O-CA 3.34Å; R97-K100 WeakPolarHBondContact O-CB 3.44Å; R97-K100 PolarHBondContact O-N 3.09Å; A98-K100 PolarHBondContact O-N 2.92Å; A98-K100 VanDerWaalsContact O-N 3.12Å; K100-R284 PolarHBondContact O-NH2 3.2Å
101G90Very high91.7Very high4 Ų440.5 Ų40.54%0.04119%0.189CC..  trans109.2132.3-176.300000111.8R97 A98 Y99R97-G101 PolarHBondContact O-N 2.92Å; A98-G101 WeakPolarHBondContact O-CA 3.3Å; A98-G101 PolarHBondContact O-N 3.47Å; Y99-G101 VanDerWaalsContact C-N 3.34Å
102M92Very high91.9Very high2 Ų240.2 Ų40.21%0.0119%0.188CC..  trans-84133.9175.1-159.2-178.5-55.600110.1W78 I106 R107 M110 D287W78-M102 HydrophobicContact CD2-CG 4.16Å; W78-M102 HydrophobicContact CE3-CG 4.2Å; W78-M102 HydrophobicContact CH2-CB 4.25Å; W78-M102 HydrophobicContact CH2-CE 3.88Å; W78-M102 HydrophobicContact CH2-CG 3.99Å; W78-M102 HydrophobicContact CZ2-CB 3.97Å; W78-M102 HydrophobicContact CZ2-CG 3.9Å; W78-M102 HydrophobicContact CZ3-CE 3.92Å; W78-M102 HydrophobicContact CZ3-CG 4.14Å; W78-M102 HydrophobicContact CZ3-SD 4.41Å; M102-I106 HydrophobicContact CG-CB 4.12Å; M102-I106 HydrophobicContact CG-CG2 3.7Å; M102-I106 HydrophobicContact SD-CG2 3.93Å; M102-R107 HydrophobicContact CB-CG 4.38Å; M102-R107 HydrophobicContact CG-CG 4.32Å; M102-R107 PolarHBondContact O-NH2 3.21Å; M102-R107 VanDerWaalsContact O-NH2 3.15Å; M102-R107 HydrophobicContact SD-CB 4.39Å; M102-R107 HydrophobicContact SD-CG 3.89Å; M102-M110 HydrophobicContact CE-CB 4.08Å; M102-M110 HydrophobicContact CE-CG 3.46Å; M102-M110 VanDerWaalsContact CE-CG 3.46Å; M102-M110 HydrophobicContact SD-CB 3.56Å; M102-M110 VanDerWaalsContact SD-CB 3.56Å; M102-M110 HydrophobicContact SD-CG 3.63Å; M102-D287 HydrophobicContact CB-CB 4.36Å; M102-D287 WeakPolarHBondContact CB-OD2 3.28Å; M102-D287 HydrophobicContact CE-CB 4.17Å
103P90.1Very high92Very high3 Ų332.8 Ų32.82%0.01916%0.164CC..  trans-61.4143.4173.2-2232.9000111E71 R74 W78 N105 I106 R107E71-P103 WeakPolarHBondContact O-CG 3.45Å; R74-P103 HydrophobicContact CB-CG 4.14Å; W78-P103 VanDerWaalsContact NE1-CD 3.27Å; P103-N105 VanDerWaalsContact C-N 3.27Å; P103-N105 PolarHBondContact O-N 2.95Å; P103-I106 HydrophobicContact CB-CB 4.36Å; P103-I106 HydrophobicContact CB-CG1 4.04Å; P103-I106 HydrophobicContact CG-CG1 4.16Å; P103-I106 WeakPolarHBondContact O-CB 3.37Å; P103-I106 PolarHBondContact O-N 3.34Å; P103-R107 PolarHBondContact O-N 2.9Å
104M85.5Confident92Very high86 Ų8627.1 Ų27.142%0.42414%0.14SC..G310 helixtrans-55.3-40.1-174.6-171.2166.966.300113.5L49 I106 R107 Y200L49-M104 HydrophobicContact CD2-SD 4.37Å; M104-I106 VanDerWaalsContact C-N 3.25Å; M104-I106 PolarHBondContact O-N 3.11Å; M104-R107 PolarHBondContact O-N 2.78Å; M104-Y200 HydrophobicContact CG-CE1 3.55Å; M104-Y200 HydrophobicContact SD-CE1 4.46Å
105N84.7Confident92Very high77 Ų7727.2 Ų27.241%0.41214%0.141SC..G310 helixtrans-78.50.8178.762.6-11.5000115.1K75 P103K75-N105 WeakPolarHBondContact CE-ND2 3.38Å; P103-N105 VanDerWaalsContact C-N 3.27Å; P103-N105 PolarHBondContact O-N 2.95Å
106I91.5Very high91.9Very high5 Ų527.3 Ų27.33%0.02614%0.142CC..G310 helixtrans-103.1-20.7175-66.4-61.2000111.2K75 W78 V79 M102 P103 M104 G108 P109 M110K75-I106 HydrophobicContact CG-CD1 3.9Å; K75-I106 HydrophobicContact CG-CG1 4.12Å; W78-I106 HydrophobicContact CB-CB 4.43Å; W78-I106 HydrophobicContact CB-CD1 4.24Å; W78-I106 HydrophobicContact CB-CG1 4.01Å; W78-I106 HydrophobicContact CB-CG2 3.67Å; W78-I106 HydrophobicContact CD2-CG2 4.11Å; W78-I106 HydrophobicContact CE3-CG2 4.13Å; W78-I106 HydrophobicContact CG-CG2 3.96Å; V79-I106 HydrophobicContact CG2-CD1 3.91Å; M102-I106 HydrophobicContact CG-CB 4.12Å; M102-I106 HydrophobicContact CG-CG2 3.7Å; M102-I106 HydrophobicContact SD-CG2 3.93Å; P103-I106 HydrophobicContact CB-CB 4.36Å; P103-I106 HydrophobicContact CB-CG1 4.04Å; P103-I106 HydrophobicContact CG-CG1 4.16Å; P103-I106 WeakPolarHBondContact O-CB 3.37Å; P103-I106 PolarHBondContact O-N 3.34Å; M104-I106 VanDerWaalsContact C-N 3.25Å; M104-I106 PolarHBondContact O-N 3.11Å; I106-G108 PolarHBondContact O-N 3.34Å; I106-P109 WeakPolarHBondContact O-CD 3.19Å; I106-M110 HydrophobicContact CG2-CB 4.06Å; I106-M110 VanDerWaalsContact O-CB 3.3Å; I106-M110 WeakPolarHBondContact O-CB 3.44Å; I106-M110 PolarHBondContact O-N 2.66Å
107R93Very high91.9Very high13 Ų1325.3 Ų25.35%0.04913%0.131CC..Hα-helixtrans-54.9-52.2-174.8-74.8-170.1175.710810.3113.3M102 P103 M104 M110 W111 Y200 D287M102-R107 HydrophobicContact CB-CG 4.38Å; M102-R107 HydrophobicContact CG-CG 4.32Å; M102-R107 PolarHBondContact O-NH2 3.21Å; M102-R107 VanDerWaalsContact O-NH2 3.15Å; M102-R107 HydrophobicContact SD-CB 4.39Å; M102-R107 HydrophobicContact SD-CG 3.89Å; P103-R107 PolarHBondContact O-N 2.9Å; M104-R107 PolarHBondContact O-N 2.78Å; R107-M110 PolarHBondContact O-N 3.42Å; R107-W111 HydrophobicContact CB-CD2 4.29Å; R107-W111 HydrophobicContact CB-CZ2 4.36Å; R107-W111 HydrophobicContact CG-CZ2 4.26Å; R107-W111 WeakPolarHBondContact O-CB 3.44Å; R107-W111 VanDerWaalsContact O-CD1 3.31Å; R107-W111 PolarHBondContact O-N 3.03Å; R107-Y200 HydrophobicContact CB-CD1 3.88Å; R107-Y200 HydrophobicContact CB-CD2 4.42Å; R107-Y200 HydrophobicContact CB-CE1 4.43Å; R107-Y200 HydrophobicContact CB-CG 3.89Å; R107-D287 IonicContact CZ-OD2 2.63Å; R107-D287 IonicContact NE-OD1 3.52Å; R107-D287 PolarHBondContact NE-OD1 3.32Å; R107-D287 IonicContact NE-OD2 3.65Å; R107-D287 PolarHBondContact NE-OD2 3.33Å; R107-D287 IonicContact NH2-OD2 2.67Å; R107-D287 PolarHBondContact NH2-OD2 2.67Å
108G93.5Very high91.8Very high6 Ų626.9 Ų26.96%0.06214%0.141CC..Hα-helixtrans-51.7-65.6178.300000112.7I106 M110 W111 S112 Y200 L201I106-G108 PolarHBondContact O-N 3.34Å; G108-M110 VanDerWaalsContact C-N 3.31Å; G108-M110 PolarHBondContact O-N 2.83Å; G108-W111 PolarHBondContact O-N 3.27Å; G108-S112 PolarHBondContact O-N 3.34Å; G108-S112 PolarHBondContact O-OG 2.97Å; G108-Y200 WeakPolarHBondContact CA-O 3.43Å; G108-L201 WeakPolarHBondContact O-CD2 3.4Å
109P93.5Very high91.7Very high50 Ų5030.6 Ų30.633%0.32516%0.158SC..Hα-helixtrans-54.4-40.9178.9-2935.7000114.5L82 I106 V113L82-P109 HydrophobicContact CD1-CB 4.02Å; I106-P109 WeakPolarHBondContact O-CD 3.19Å; P109-V113 WeakPolarHBondContact O-CB 3.4Å; P109-V113 VanDerWaalsContact O-CG2 3.26Å; P109-V113 WeakPolarHBondContact O-CG2 3.39Å; P109-V113 PolarHBondContact O-N 2.72Å
110M94Very high91.6Very high0 Ų031.2 Ų31.20%016%0.162CC..Hα-helixtrans-74.4-37.4-178.8-177.853.871.200112.7W78 L82 W85 L94 M102 I106 R107 G108 V113 L114W78-M110 HydrophobicContact CE3-CE 3.69Å; W78-M110 HydrophobicContact CE3-CG 4.36Å; W78-M110 HydrophobicContact CZ3-CE 3.91Å; W78-M110 HydrophobicContact CZ3-CG 4.04Å; W78-M110 HydrophobicContact CZ3-SD 4.38Å; L82-M110 HydrophobicContact CD2-CB 4.41Å; L82-M110 HydrophobicContact CD2-CE 3.48Å; L82-M110 VanDerWaalsContact CD2-CE 3.48Å; L82-M110 HydrophobicContact CD2-SD 4.16Å; L82-M110 HydrophobicContact CG-CE 3.7Å; W85-M110 HydrophobicContact CH2-SD 4.12Å; W85-M110 HydrophobicContact CZ3-CE 4.09Å; W85-M110 HydrophobicContact CZ3-SD 3.78Å; L94-M110 HydrophobicContact CD1-CE 4.32Å; L94-M110 HydrophobicContact CD1-SD 4.3Å; M102-M110 HydrophobicContact CE-CB 4.08Å; M102-M110 HydrophobicContact CE-CG 3.46Å; M102-M110 VanDerWaalsContact CE-CG 3.46Å; M102-M110 HydrophobicContact SD-CB 3.56Å; M102-M110 VanDerWaalsContact SD-CB 3.56Å; M102-M110 HydrophobicContact SD-CG 3.63Å; I106-M110 HydrophobicContact CG2-CB 4.06Å; I106-M110 VanDerWaalsContact O-CB 3.3Å; I106-M110 WeakPolarHBondContact O-CB 3.44Å; I106-M110 PolarHBondContact O-N 2.66Å; R107-M110 PolarHBondContact O-N 3.42Å; G108-M110 VanDerWaalsContact C-N 3.31Å; G108-M110 PolarHBondContact O-N 2.83Å; M110-V113 PolarHBondContact O-N 3.16Å; M110-L114 HydrophobicContact CG-CD1 3.84Å; M110-L114 HydrophobicContact CG-CG 4.37Å; M110-L114 WeakPolarHBondContact O-CB 3.38Å; M110-L114 WeakPolarHBondContact O-CD1 3.4Å; M110-L114 WeakPolarHBondContact O-CG 3.23Å; M110-L114 PolarHBondContact O-N 3.42Å; M110-L114 HydrophobicContact SD-CD1 4.09Å; M110-L114 HydrophobicContact SD-CG 4.04Å
111W94.6Very high91.7Very high0 Ų030 Ų300%016%0.157CC..Hα-helixtrans-68.6-41.2175.8-67.33.1000111.2R107 G108 V113 L114 L115 L196 F197 Y200 L283 W286 D287 L290R107-W111 HydrophobicContact CB-CD2 4.29Å; R107-W111 HydrophobicContact CB-CZ2 4.36Å; R107-W111 HydrophobicContact CG-CZ2 4.26Å; R107-W111 WeakPolarHBondContact O-CB 3.44Å; R107-W111 VanDerWaalsContact O-CD1 3.31Å; R107-W111 PolarHBondContact O-N 3.03Å; G108-W111 PolarHBondContact O-N 3.27Å; W111-V113 VanDerWaalsContact C-N 3.28Å; W111-V113 PolarHBondContact O-N 2.89Å; W111-L114 PolarHBondContact O-N 3.12Å; W111-L115 WeakPolarHBondContact O-CB 3.35Å; W111-L115 PolarHBondContact O-N 3.15Å; W111-L196 HydrophobicContact CH2-CD2 4.27Å; W111-L196 HydrophobicContact CH2-CG 4.29Å; W111-F197 AromaticContact CE3-CD1 3.74Å; W111-F197 HydrophobicContact CE3-CD1 3.74Å; W111-F197 HydrophobicContact CE3-CE1 4.16Å; W111-F197 AromaticContact CZ3-CD1 3.9Å; W111-F197 HydrophobicContact CZ3-CD1 3.9Å; W111-F197 HydrophobicContact CZ3-CE1 4.45Å; W111-Y200 HydrophobicContact CE3-CD2 4.42Å; W111-Y200 AromaticContact CH2-CD2 3.78Å; W111-Y200 HydrophobicContact CH2-CD2 3.78Å; W111-Y200 HydrophobicContact CH2-CE2 4.27Å; W111-Y200 AromaticContact CZ3-CD2 3.65Å; W111-Y200 HydrophobicContact CZ3-CD2 3.65Å; W111-Y200 HydrophobicContact CZ3-CG 4.31Å; W111-L283 HydrophobicContact CH2-CD2 3.66Å; W111-L283 HydrophobicContact CZ2-CD2 4.12Å; W111-W286 HydrophobicContact CZ2-CB 4.23Å; W111-D287 PolarHBondContact NE1-OD1 2.97Å; W111-D287 VanDerWaalsContact NE1-OD1 3.1Å; W111-L290 HydrophobicContact CB-CD1 4.34Å; W111-L290 HydrophobicContact CD2-CD1 3.92Å; W111-L290 HydrophobicContact CG-CD1 3.7Å
112S94Very high91.9Very high16 Ų1636.2 Ų36.211%0.11219%0.186CC..Hα-helixtrans-54.4-44.8171.8-720000112.2G108 N116 T117 L201G108-S112 PolarHBondContact O-N 3.34Å; G108-S112 PolarHBondContact O-OG 2.97Å; S112-N116 WeakPolarHBondContact O-CA 3.42Å; S112-N116 PolarHBondContact O-N 2.83Å; S112-T117 VanDerWaalsContact CA-OG1 3.25Å; S112-T117 WeakPolarHBondContact CA-OG1 3.45Å; S112-T117 WeakPolarHBondContact CB-OG1 3.49Å; S112-T117 PolarHBondContact O-N 3.18Å; S112-T117 PolarHBondContact O-OG1 2.96Å; S112-T117 PolarHBondContact OG-OG1 3.07Å; S112-L201 WeakPolarHBondContact OG-CD2 3.47Å
113V93Very high91.9Very high45 Ų4542.3 Ų42.327%0.27321%0.213SC..Hα-helixtrans-76.2-31.2-178.9168.40000112.9L82 W85 P109 M110 W111 N116L82-V113 HydrophobicContact CD2-CB 4.35Å; L82-V113 HydrophobicContact CD2-CG1 4.47Å; L82-V113 HydrophobicContact CD2-CG2 4.23Å; W85-V113 HydrophobicContact CB-CG1 4.46Å; W85-V113 HydrophobicContact CD2-CG1 3.32Å; W85-V113 HydrophobicContact CE3-CG1 3.92Å; W85-V113 HydrophobicContact CG-CG1 3.54Å; W85-V113 HydrophobicContact CH2-CG1 4.28Å; W85-V113 HydrophobicContact CZ2-CG1 3.74Å; W85-V113 HydrophobicContact CZ3-CG1 4.37Å; W85-V113 VanDerWaalsContact NE1-CG1 3.31Å; P109-V113 WeakPolarHBondContact O-CB 3.4Å; P109-V113 VanDerWaalsContact O-CG2 3.26Å; P109-V113 WeakPolarHBondContact O-CG2 3.39Å; P109-V113 PolarHBondContact O-N 2.72Å; M110-V113 PolarHBondContact O-N 3.16Å; W111-V113 VanDerWaalsContact C-N 3.28Å; W111-V113 PolarHBondContact O-N 2.89Å; V113-N116 PolarHBondContact O-OD1 3.2Å
114L92.7Very high92.1Very high14 Ų1443.3 Ų43.37%0.07322%0.218CC..Hα-helixtrans-71.8-31.4173.6-77.4166000113.1W85 L94 M110 W111 H219 L290 V291W85-L114 HydrophobicContact CH2-CD2 3.66Å; W85-L114 HydrophobicContact CH2-CG 4.22Å; W85-L114 HydrophobicContact CZ2-CD2 4.14Å; L94-L114 HydrophobicContact CD2-CD2 4.43Å; M110-L114 HydrophobicContact CG-CD1 3.84Å; M110-L114 HydrophobicContact CG-CG 4.37Å; M110-L114 WeakPolarHBondContact O-CB 3.38Å; M110-L114 WeakPolarHBondContact O-CD1 3.4Å; M110-L114 WeakPolarHBondContact O-CG 3.23Å; M110-L114 PolarHBondContact O-N 3.42Å; M110-L114 HydrophobicContact SD-CD1 4.09Å; M110-L114 HydrophobicContact SD-CG 4.04Å; W111-L114 PolarHBondContact O-N 3.12Å; L114-H219 PolarHBondContact O-CE1 2.87Å; L114-L290 HydrophobicContact CD1-CB 3.96Å; L114-V291 HydrophobicContact CD1-CG2 3.7Å; L114-V291 HydrophobicContact CD2-CG2 3.91Å
115L92.4Very high92.5Very high4 Ų444.4 Ų44.42%0.02123%0.231CC..THydrogen-bonded Turntrans-100.30.2-178.9-67168.8000113.1W111 T117 F197 A209 Q212 L213 L290W111-L115 WeakPolarHBondContact O-CB 3.35Å; W111-L115 PolarHBondContact O-N 3.15Å; L115-T117 VanDerWaalsContact C-N 3.28Å; L115-T117 HydrophobicContact CB-CG2 4.07Å; L115-T117 PolarHBondContact O-N 3.39Å; L115-F197 HydrophobicContact CD1-CE1 3.77Å; L115-F197 HydrophobicContact CD1-CZ 3.73Å; L115-A209 HydrophobicContact CD1-CB 3.64Å; L115-Q212 HydrophobicContact CB-CB 4.21Å; L115-Q212 HydrophobicContact CD2-CB 4.39Å; L115-Q212 WeakPolarHBondContact O-CB 3.27Å; L115-Q212 WeakPolarHBondContact O-CG 3.48Å; L115-Q212 PolarHBondContact O-NE2 3.21Å; L115-L213 HydrophobicContact CD2-CB 4.41Å; L115-L213 HydrophobicContact CD2-CD1 4.33Å; L115-L290 HydrophobicContact CD1-CD2 4.04Å; L115-L290 HydrophobicContact CD2-CD2 3.89Å; L115-L290 HydrophobicContact CG-CD2 4.12Å
116N91.8Very high92.9Very high48 Ų4842.9 Ų42.926%0.25723%0.234SC..THydrogen-bonded Turntrans50.441.8-174.9-61.85.2000113.5S112 V113 E118 E119 M120S112-N116 WeakPolarHBondContact O-CA 3.42Å; S112-N116 PolarHBondContact O-N 2.83Å; V113-N116 PolarHBondContact O-OD1 3.2Å; N116-E118 VanDerWaalsContact C-N 3.32Å; N116-E118 PolarHBondContact O-N 2.9Å; N116-E119 HydrophobicContact CB-CB 4.09Å; N116-E119 PolarHBondContact ND2-OE2 2.96Å; N116-E119 PolarHBondContact O-N 3.26Å; N116-M120 PolarHBondContact O-N 3.12Å; N116-M120 VanDerWaalsContact O-N 3.15Å
117T92.2Very high93Very high0 Ų047.5 Ų47.50%025%0.251CS..Hα-helixtrans-61.4-40.8-177.256.70000112.2S112 L115 E119 M120 K121 W208 A209S112-T117 VanDerWaalsContact CA-OG1 3.25Å; S112-T117 WeakPolarHBondContact CA-OG1 3.45Å; S112-T117 WeakPolarHBondContact CB-OG1 3.49Å; S112-T117 PolarHBondContact O-N 3.18Å; S112-T117 PolarHBondContact O-OG1 2.96Å; S112-T117 PolarHBondContact OG-OG1 3.07Å; L115-T117 VanDerWaalsContact C-N 3.28Å; L115-T117 HydrophobicContact CB-CG2 4.07Å; L115-T117 PolarHBondContact O-N 3.39Å; T117-E119 PolarHBondContact O-N 3.19Å; T117-M120 PolarHBondContact O-N 3.19Å; T117-K121 WeakPolarHBondContact O-CB 3.34Å; T117-K121 PolarHBondContact O-N 2.91Å; T117-W208 HydrophobicContact CG2-CB 4.3Å; T117-A209 HydrophobicContact CG2-CB 3.87Å
118E91.6Very high93.2Very high100 Ų10047.3 Ų47.347%0.46725%0.25SS..Hα-helixtrans-54.4-48.6174.7-164.676.4-124.300111.7N116 M120 K121 M122N116-E118 VanDerWaalsContact C-N 3.32Å; N116-E118 PolarHBondContact O-N 2.9Å; E118-M120 VanDerWaalsContact C-N 3.35Å; E118-M120 PolarHBondContact O-N 3.11Å; E118-K121 PolarHBondContact O-N 2.98Å; E118-M122 HydrophobicContact CG-CE 3.73Å; E118-M122 HydrophobicContact CG-SD 4.4Å; E118-M122 WeakPolarHBondContact O-CB 3.43Å; E118-M122 VanDerWaalsContact O-CG 3.28Å; E118-M122 WeakPolarHBondContact O-CG 3.32Å; E118-M122 PolarHBondContact O-N 3.12Å
119E91.1Very high93.3Very high79 Ų7951.2 Ų51.237%0.36927%0.267SS..Hα-helixtrans-63.9-39.9179.5-171.7-172.2174.700111.5N116 T117 K123N116-E119 HydrophobicContact CB-CB 4.09Å; N116-E119 PolarHBondContact ND2-OE2 2.96Å; N116-E119 PolarHBondContact O-N 3.26Å; T117-E119 PolarHBondContact O-N 3.19Å; E119-K123 HydrophobicContact CG-CD 4.34Å; E119-K123 WeakPolarHBondContact O-CB 3.49Å; E119-K123 VanDerWaalsContact O-CG 3.29Å; E119-K123 WeakPolarHBondContact O-CG 3.18Å; E119-K123 PolarHBondContact O-N 3.19Å; E119-K123 WeakPolarHBondContact OE1-CE 3.46Å; E119-K123 IonicContact OE1-NZ 2.75Å; E119-K123 PolarHBondContact OE1-NZ 3.33Å
120M91.8Very high93.4Very high25 Ų2554.6 Ų54.612%0.12328%0.281CS..Hα-helixtrans-68.4-42.1178-72.6-59.5-69.800112.5N116 T117 E118 K123 N124 W208 V211 Q212N116-M120 PolarHBondContact O-N 3.12Å; N116-M120 VanDerWaalsContact O-N 3.15Å; T117-M120 PolarHBondContact O-N 3.19Å; E118-M120 VanDerWaalsContact C-N 3.35Å; E118-M120 PolarHBondContact O-N 3.11Å; M120-K123 PolarHBondContact O-N 3.45Å; M120-N124 WeakPolarHBondContact O-CB 3.47Å; M120-N124 PolarHBondContact O-N 3.44Å; M120-N124 VanDerWaalsContact O-N 3.11Å; M120-N124 PolarHBondContact O-ND2 2.93Å; M120-W208 HydrophobicContact CB-CB 4.29Å; M120-W208 HydrophobicContact CB-CD2 3.93Å; M120-W208 HydrophobicContact CB-CE3 3.74Å; M120-W208 HydrophobicContact CB-CG 4.17Å; M120-W208 HydrophobicContact CB-CZ3 4.43Å; M120-W208 HydrophobicContact CE-CE3 4.04Å; M120-W208 HydrophobicContact CE-CZ3 3.89Å; M120-V211 HydrophobicContact CE-CG1 4.4Å; M120-Q212 HydrophobicContact CG-CG 3.56Å
121K92.7Very high93.5Very high52 Ų5255 Ų5523%0.22628%0.283CS..Hα-helixtrans-62.3-46.4174.8-174.416863-166.60111.3T117 E118 K123 N124 E204 D205T117-K121 WeakPolarHBondContact O-CB 3.34Å; T117-K121 PolarHBondContact O-N 2.91Å; E118-K121 PolarHBondContact O-N 2.98Å; K121-K123 VanDerWaalsContact C-N 3.3Å; K121-K123 PolarHBondContact O-N 2.97Å; K121-N124 CarbonylContact O-C 3.33Å; K121-N124 PolarHBondContact O-N 3.01Å; K121-N124 VanDerWaalsContact O-N 3.09Å; K121-E204 HydrophobicContact CD-CG 4.16Å; K121-E204 WeakPolarHBondContact CD-OE2 3.32Å; K121-D205 IonicContact NZ-OD1 3.85Å; K121-D205 PolarHBondContact NZ-OD1 3.04Å; K121-D205 IonicContact NZ-OD2 2.85Å
122M93.1Very high93.6Very high135 Ų13556 Ų5667%0.66529%0.288SS*.Hα-helixtrans-59.9-35.8175.4-73.2176.2-179.400113.3E118 N124E118-M122 HydrophobicContact CG-CE 3.73Å; E118-M122 HydrophobicContact CG-SD 4.4Å; E118-M122 WeakPolarHBondContact O-CB 3.43Å; E118-M122 VanDerWaalsContact O-CG 3.28Å; E118-M122 WeakPolarHBondContact O-CG 3.32Å; E118-M122 PolarHBondContact O-N 3.12Å; M122-N124 VanDerWaalsContact C-N 3.35Å
123K93.3Very high93.7Very high130 Ų13057.9 Ų57.957%0.56529%0.294SS*.Hα-helixtrans-77.4-16.3176.2-73.6173.7-174.4173.20114.2E119 M120 K121 P125E119-K123 HydrophobicContact CG-CD 4.34Å; E119-K123 WeakPolarHBondContact O-CB 3.49Å; E119-K123 VanDerWaalsContact O-CG 3.29Å; E119-K123 WeakPolarHBondContact O-CG 3.18Å; E119-K123 PolarHBondContact O-N 3.19Å; E119-K123 WeakPolarHBondContact OE1-CE 3.46Å; E119-K123 IonicContact OE1-NZ 2.75Å; E119-K123 PolarHBondContact OE1-NZ 3.33Å; M120-K123 PolarHBondContact O-N 3.45Å; K121-K123 VanDerWaalsContact C-N 3.3Å; K121-K123 PolarHBondContact O-N 2.97Å; K123-P125 VanDerWaalsContact C-CD 3.49Å
124N92.9Very high93.7Very high25 Ų2560.5 Ų60.513%0.13430%0.302CS..SBendtrans-134.252.1-172.5-64.3-91.5000112.1M120 K121 M122 G126 R127 W208M120-N124 WeakPolarHBondContact O-CB 3.47Å; M120-N124 PolarHBondContact O-N 3.44Å; M120-N124 VanDerWaalsContact O-N 3.11Å; M120-N124 PolarHBondContact O-ND2 2.93Å; K121-N124 CarbonylContact O-C 3.33Å; K121-N124 PolarHBondContact O-N 3.01Å; K121-N124 VanDerWaalsContact O-N 3.09Å; M122-N124 VanDerWaalsContact C-N 3.35Å; N124-G126 PolarHBondContact O-N 3.13Å; N124-R127 HydrophobicContact CB-CB 3.88Å; N124-R127 VanDerWaalsContact O-CB 3.28Å; N124-R127 WeakPolarHBondContact O-CB 3.47Å; N124-R127 PolarHBondContact O-N 3.06Å; N124-R127 VanDerWaalsContact O-N 3.14Å; N124-R127 WeakPolarHBondContact OD1-CD 3.41Å; N124-R127 PolarHBondContact OD1-NH1 3.12Å; N124-W208 HydrophobicContact CB-CH2 3.38Å; N124-W208 HydrophobicContact CB-CZ2 3.46Å; N124-W208 VanDerWaalsContact CB-CZ2 3.46Å; N124-W208 HydrophobicContact CB-CZ3 4.4Å
125P93.9Very high93.8Very high108 Ų10859.9 Ų59.970%0.70130%0.3SS*.THydrogen-bonded Turntrans-58.9131.1-175.326.6-35.6000111.4K123 R127K123-P125 VanDerWaalsContact C-CD 3.49Å; P125-R127 PolarHBondContact O-N 3.22Å
126G93.6Very high93.9Very high45 Ų4560.9 Ų60.946%0.46430%0.304SS..THydrogen-bonded Turntrans69.8-9.8-179.800000115.8N124 Y128 Q129 I130N124-G126 PolarHBondContact O-N 3.13Å; G126-Y128 VanDerWaalsContact C-N 3.3Å; G126-Y128 PolarHBondContact O-N 2.96Å; G126-Q129 PolarHBondContact O-N 2.86Å; G126-I130 PolarHBondContact O-N 3.11Å
127R94.4Very high93.9Very high102 Ų10267.4 Ų67.439%0.38533%0.325SS..Hα-helixtrans-60.9-38.2-175.4-169.2179.9173.9167.71.7112.4N124 P125 Q129 I130 M131N124-R127 HydrophobicContact CB-CB 3.88Å; N124-R127 VanDerWaalsContact O-CB 3.28Å; N124-R127 WeakPolarHBondContact O-CB 3.47Å; N124-R127 PolarHBondContact O-N 3.06Å; N124-R127 VanDerWaalsContact O-N 3.14Å; N124-R127 WeakPolarHBondContact OD1-CD 3.41Å; N124-R127 PolarHBondContact OD1-NH1 3.12Å; P125-R127 PolarHBondContact O-N 3.22Å; R127-Q129 PolarHBondContact O-N 2.81Å; R127-I130 PolarHBondContact O-N 3.25Å; R127-M131 HydrophobicContact CG-CE 3.92Å; R127-M131 HydrophobicContact CG-CG 4.36Å; R127-M131 HydrophobicContact CG-SD 3.91Å; R127-M131 WeakPolarHBondContact O-CG 3.31Å; R127-M131 PolarHBondContact O-N 3.43Å
128Y96Very high93.9Very high9 Ų970 Ų704%0.03534%0.342CS..Hα-helixtrans-56.3-49.5176.4174.8-111.9000111.8G126 I130 M131 K132 H172 A176 E203 E204 F207G126-Y128 VanDerWaalsContact C-N 3.3Å; G126-Y128 PolarHBondContact O-N 2.96Å; Y128-I130 VanDerWaalsContact C-N 3.34Å; Y128-I130 PolarHBondContact O-N 3.18Å; Y128-M131 PolarHBondContact O-N 3Å; Y128-K132 HydrophobicContact CE1-CD 3.98Å; Y128-K132 VanDerWaalsContact O-CB 3.29Å; Y128-K132 WeakPolarHBondContact O-CB 3.27Å; Y128-K132 PolarHBondContact O-N 3.31Å; Y128-H172 WeakPolarHBondContact OH-CB 2.9Å; Y128-A176 HydrophobicContact CD2-CB 3.95Å; Y128-A176 HydrophobicContact CE2-CB 3.59Å; Y128-E203 HydrophobicContact CE1-CG 4.18Å; Y128-E203 WeakPolarHBondContact CE1-OE1 3.31Å; Y128-E203 WeakPolarHBondContact OH-CG 3.48Å; Y128-E203 PolarHBondContact OH-OE1 3.11Å; Y128-E204 HydrophobicContact CD1-CB 3.85Å; Y128-E204 HydrophobicContact CD1-CG 4Å; Y128-E204 HydrophobicContact CE1-CB 4.31Å; Y128-E204 HydrophobicContact CG-CB 4.3Å; Y128-E204 HydrophobicContact CG-CG 4.01Å; 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 3.87Å; Y128-F207 HydrophobicContact CD2-CD2 3.87Å; Y128-F207 HydrophobicContact CD2-CE1 4.07Å; Y128-F207 HydrophobicContact CD2-CE2 4.4Å; Y128-F207 AromaticContact CD2-CG 3.39Å; Y128-F207 HydrophobicContact CD2-CG 3.39Å; Y128-F207 HydrophobicContact CE2-CB 3.62Å; Y128-F207 HydrophobicContact CE2-CD1 4.19Å; Y128-F207 AromaticContact CE2-CD2 3.84Å; Y128-F207 HydrophobicContact CE2-CD2 3.84Å; Y128-F207 AromaticContact CE2-CG 3.59Å; Y128-F207 HydrophobicContact CE2-CG 3.59Å; Y128-F207 HydrophobicContact CG-CD1 4.29Å; Y128-F207 HydrophobicContact CG-CG 4.48Å
129Q96.4Very high93.9Very high89 Ų8965.4 Ų65.442%0.41632%0.322SS..Hα-helixtrans-64.5-37.7-179.2-172.258.529.900112G126 R127 E133G126-Q129 PolarHBondContact O-N 2.86Å; R127-Q129 PolarHBondContact O-N 2.81Å; Q129-E133 VanDerWaalsContact NE2-CG 3.35Å; Q129-E133 PolarHBondContact NE2-OE1 3.21Å; Q129-E133 WeakPolarHBondContact O-CG 3.49Å; Q129-E133 PolarHBondContact O-N 2.99Å
130I96.3Very high93.8Very high120 Ų12069.7 Ų69.762%0.61534%0.342SS*.Hα-helixtrans-62.4-47.6174.6-63.7168.9000111G126 R127 Y128 E133 K134G126-I130 PolarHBondContact O-N 3.11Å; R127-I130 PolarHBondContact O-N 3.25Å; Y128-I130 VanDerWaalsContact C-N 3.34Å; Y128-I130 PolarHBondContact O-N 3.18Å; I130-E133 PolarHBondContact O-N 3.35Å; I130-K134 WeakPolarHBondContact O-CB 3.49Å; I130-K134 PolarHBondContact O-N 3.22Å
131M96Very high93.7Very high10 Ų1071.6 Ų71.65%0.04935%0.35CS..Hα-helixtrans-69.3-36.9-178.5-64.8179-49.800112.2R127 Y128 G135 A176 E179 Y180 F207R127-M131 HydrophobicContact CG-CE 3.92Å; R127-M131 HydrophobicContact CG-CG 4.36Å; R127-M131 HydrophobicContact CG-SD 3.91Å; R127-M131 WeakPolarHBondContact O-CG 3.31Å; R127-M131 PolarHBondContact O-N 3.43Å; Y128-M131 PolarHBondContact O-N 3Å; M131-G135 PolarHBondContact O-N 3.3Å; M131-A176 HydrophobicContact CB-CB 4.13Å; M131-E179 HydrophobicContact CB-CB 4.21Å; M131-E179 HydrophobicContact CB-CG 3.91Å; M131-E179 HydrophobicContact CG-CG 3.94Å; M131-Y180 HydrophobicContact CE-CD2 3.91Å; M131-Y180 HydrophobicContact SD-CD2 3.7Å; M131-Y180 HydrophobicContact SD-CG 4.28Å; M131-F207 HydrophobicContact CE-CE1 3.6Å; M131-F207 HydrophobicContact CE-CE2 4.26Å; M131-F207 HydrophobicContact CE-CZ 3.3Å
132K95.8Very high93.7Very high21 Ų2169.4 Ų69.49%0.09134%0.341CS..Hα-helixtrans-58.6-52.9172.2169.2177.7168.8173.80111.7Y128 K134 G135 K136 H172 A176 E203Y128-K132 HydrophobicContact CE1-CD 3.98Å; Y128-K132 VanDerWaalsContact O-CB 3.29Å; Y128-K132 WeakPolarHBondContact O-CB 3.27Å; Y128-K132 PolarHBondContact O-N 3.31Å; K132-K134 PolarHBondContact O-N 2.84Å; K132-G135 PolarHBondContact O-N 3.37Å; K132-K136 WeakPolarHBondContact O-CG 3.13Å; K132-K136 PolarHBondContact O-N 3.46Å; K132-H172 HydrophobicContact CD-CB 3.94Å; K132-H172 VanDerWaalsContact CE-CG 3.47Å; K132-H172 VanDerWaalsContact CE-ND1 3.31Å; K132-H172 WeakPolarHBondContact CE-ND1 3.49Å; K132-H172 HydrophobicContact CG-CB 4.11Å; K132-H172 PolarHBondContact NZ-ND1 3.47Å; K132-A176 HydrophobicContact CB-CB 4.26Å; K132-E203 WeakPolarHBondContact CE-OE1 3.37Å; K132-E203 IonicContact NZ-OE1 3.21Å; K132-E203 PolarHBondContact NZ-OE1 2.98Å; K132-E203 IonicContact NZ-OE2 3.83Å
133E96Very high93.7Very high54 Ų5465.6 Ų65.625%0.25232%0.322SS..Hα-helixtrans-70.6-30.4-178.9-65.7-54.7132.500113Q129 I130 K136 R137Q129-E133 VanDerWaalsContact NE2-CG 3.35Å; Q129-E133 PolarHBondContact NE2-OE1 3.21Å; Q129-E133 WeakPolarHBondContact O-CG 3.49Å; Q129-E133 PolarHBondContact O-N 2.99Å; I130-E133 PolarHBondContact O-N 3.35Å; E133-K136 WeakPolarHBondContact OE1-CE 3.41Å; E133-K136 IonicContact OE1-NZ 2.76Å; E133-K136 PolarHBondContact OE1-NZ 2.75Å; E133-K136 IonicContact OE2-NZ 2.7Å; E133-R137 WeakPolarHBondContact O-CG 3.26Å
134K94.5Very high93.6Very high100 Ų10065.2 Ų65.244%0.43532%0.316SS..Hα-helixtrans-68-48.6170-174.9169.8170.4-144.90111.2I130 K132 K136 R137 S138 E179I130-K134 WeakPolarHBondContact O-CB 3.49Å; I130-K134 PolarHBondContact O-N 3.22Å; K132-K134 PolarHBondContact O-N 2.84Å; K134-K136 VanDerWaalsContact C-N 3.31Å; K134-K136 PolarHBondContact O-N 2.86Å; K134-R137 CarbonylContact O-C 3.58Å; K134-R137 WeakPolarHBondContact O-CA 3.34Å; K134-R137 WeakPolarHBondContact O-CB 3.39Å; K134-R137 PolarHBondContact O-N 2.97Å; K134-S138 PolarHBondContact O-N 2.97Å; K134-S138 PolarHBondContact O-OG 3.06Å; K134-S138 VanDerWaalsContact O-OG 3.05Å; K134-E179 HydrophobicContact CB-CG 4.36Å; K134-E179 VanDerWaalsContact CD-CD 3.42Å; K134-E179 HydrophobicContact CD-CG 4.17Å; K134-E179 WeakPolarHBondContact CD-OE1 3.47Å; K134-E179 VanDerWaalsContact CD-OE2 3.26Å; K134-E179 WeakPolarHBondContact CD-OE2 3.43Å; K134-E179 WeakPolarHBondContact CE-OE1 3.25Å; K134-E179 WeakPolarHBondContact CE-OE2 3.35Å; K134-E179 HydrophobicContact CG-CG 4.38Å; K134-E179 IonicContact NZ-OE1 2.65Å; K134-E179 PolarHBondContact NZ-OE1 3.06Å; K134-E179 IonicContact NZ-OE2 2.84Å; K134-E179 PolarHBondContact NZ-OE2 3.46Å
135G94.1Very high93.6Very high2 Ų264 Ų642%0.02131%0.31CS..Hα-helixtrans-56.1-39.817800000113.5M131 K132 R137 S138 S139M131-G135 PolarHBondContact O-N 3.3Å; K132-G135 PolarHBondContact O-N 3.37Å; G135-R137 PolarHBondContact O-N 3.47Å; G135-S138 PolarHBondContact O-N 3.28Å; G135-S139 WeakPolarHBondContact O-CB 3.45Å; G135-S139 PolarHBondContact O-N 3.29Å
136K94.5Very high93.6Very high25 Ų2559.9 Ų59.911%0.10928%0.282CS..Hα-helixtrans-55.9-33.2171.4-70.8-178.1-176.1175.60113.4R15 I19 E23 K132 E133 K134 H172 L175R15-K136 WeakPolarHBondContact CD-O 3.44Å; I19-K136 HydrophobicContact CD1-CB 4.19Å; I19-K136 HydrophobicContact CD1-CG 3.92Å; I19-K136 HydrophobicContact CG1-CB 4.44Å; I19-K136 HydrophobicContact CG2-CD 4.47Å; E23-K136 WeakPolarHBondContact OE1-CE 3.37Å; E23-K136 IonicContact OE1-NZ 3.52Å; E23-K136 PolarHBondContact OE1-NZ 3.05Å; K132-K136 WeakPolarHBondContact O-CG 3.13Å; K132-K136 PolarHBondContact O-N 3.46Å; E133-K136 WeakPolarHBondContact OE1-CE 3.41Å; E133-K136 IonicContact OE1-NZ 2.76Å; E133-K136 PolarHBondContact OE1-NZ 2.75Å; E133-K136 IonicContact OE2-NZ 2.7Å; K134-K136 VanDerWaalsContact C-N 3.31Å; K134-K136 PolarHBondContact O-N 2.86Å; K136-H172 WeakPolarHBondContact CE-NE2 3.24Å; K136-L175 HydrophobicContact CG-CD1 4.14Å
137R92.4Very high93.6Very high185 Ų18566.1 Ų66.170%0.69829%0.292SS*.Hα-helixtrans-93.3-28.2-176-61.9173.8-169-172.92113.7R15 E133 K134 G135R15-R137 PolarHBondContact NE-O 3.11Å; R15-R137 VanDerWaalsContact NE-O 3.16Å; R15-R137 PolarHBondContact NH2-O 2.85Å; R15-R137 VanDerWaalsContact NH2-O 3.15Å; E133-R137 WeakPolarHBondContact O-CG 3.26Å; K134-R137 CarbonylContact O-C 3.58Å; K134-R137 WeakPolarHBondContact O-CA 3.34Å; K134-R137 WeakPolarHBondContact O-CB 3.39Å; K134-R137 PolarHBondContact O-N 2.97Å; G135-R137 PolarHBondContact O-N 3.47Å
138S91.6Very high93.4Very high53 Ų5362.4 Ų62.437%0.37128%0.279SS..Hα-helixtrans-122.4-5.9-170.163.30000116K134 G135 E140K134-S138 PolarHBondContact O-N 2.97Å; K134-S138 PolarHBondContact O-OG 3.06Å; K134-S138 VanDerWaalsContact O-OG 3.05Å; G135-S138 PolarHBondContact O-N 3.28Å; S138-E140 PolarHBondContact O-N 3.26Å
139S91.4Very high93.3Very high4 Ų462 Ų623%0.02828%0.278CS..  trans-57.6130.9178.31760000111.5R15 G135 H141 I142 L175 E178R15-S139 WeakPolarHBondContact CD-O 3.33Å; R15-S139 PolarHBondContact NH1-O 3.47Å; G135-S139 WeakPolarHBondContact O-CB 3.45Å; G135-S139 PolarHBondContact O-N 3.29Å; S139-H141 PolarHBondContact OG-N 3.11Å; S139-I142 PolarHBondContact OG-N 2.83Å; S139-I142 VanDerWaalsContact OG-N 3.1Å; S139-L175 VanDerWaalsContact CB-CD2 3.42Å; S139-L175 WeakPolarHBondContact OG-CD2 3.39Å; S139-E178 VanDerWaalsContact CB-OE2 3.25Å; S139-E178 WeakPolarHBondContact CB-OE2 3.35Å; S139-E178 PolarHBondContact OG-OE1 3.49Å; S139-E178 PolarHBondContact OG-OE2 3.05Å
140E88.8Confident93Very high170 Ų17059.7 Ų59.779%0.79427%0.271SS*.SBendtrans-92.6-24.5170.7-61.3-174.8161.800110.4S138 E178S138-E140 PolarHBondContact O-N 3.26Å; E140-E178 PolarHBondContact N-OE1 2.96Å
141H89.6Confident92.5Very high64 Ų6456.2 Ų56.230%0.29627%0.265SS..SBendtrans-90.3-0.7-174.9-61.591.3000114.3S139 Q143 R144 I145 E178 Y186S139-H141 PolarHBondContact OG-N 3.11Å; H141-Q143 VanDerWaalsContact C-N 3.32Å; H141-Q143 PolarHBondContact O-N 2.79Å; H141-Q143 VanDerWaalsContact O-N 3.11Å; H141-R144 WeakPolarHBondContact O-CA 3.41Å; H141-R144 VanDerWaalsContact O-CB 3.32Å; H141-R144 WeakPolarHBondContact O-CB 3.37Å; H141-R144 PolarHBondContact O-N 2.77Å; H141-I145 HydrophobicContact CB-CD1 4.2Å; H141-I145 HydrophobicContact CB-CG1 4.27Å; H141-I145 WeakPolarHBondContact O-CG1 3.43Å; H141-I145 PolarHBondContact O-N 3.02Å; H141-E178 IonicContact CE1-OE1 2.67Å; H141-E178 IonicContact CG-OE1 2.81Å; H141-E178 PolarHBondContact N-OE1 2.98Å; H141-E178 IonicContact ND1-OE1 3.47Å; H141-E178 PolarHBondContact ND1-OE1 3.23Å; H141-Y186 HydrophobicContact CB-CD1 4.33Å; H141-Y186 HydrophobicContact CB-CG 4.4Å
142I93.2Very high92.2Very high7 Ų755.7 Ų55.74%0.03626%0.263CS..Hα-helixtrans-50.5-41.6-170.1-168.9173.4000114.7R15 I18 I19 S139 R144 I145 D146 L175R15-I142 HydrophobicContact CB-CG2 3.88Å; R15-I142 HydrophobicContact CG-CD1 3.8Å; R15-I142 HydrophobicContact CG-CG2 3.97Å; I18-I142 HydrophobicContact CB-CD1 4.07Å; I18-I142 HydrophobicContact CB-CG1 4.48Å; I18-I142 HydrophobicContact CD1-CG2 4.47Å; I18-I142 HydrophobicContact CG2-CD1 3.8Å; I18-I142 HydrophobicContact CG2-CG1 3.94Å; I19-I142 HydrophobicContact CD1-CD1 3.55Å; I19-I142 HydrophobicContact CG1-CD1 3.7Å; S139-I142 PolarHBondContact OG-N 2.83Å; S139-I142 VanDerWaalsContact OG-N 3.1Å; I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 3.49Å; I142-I145 PolarHBondContact O-N 2.98Å; I142-D146 WeakPolarHBondContact O-CB 3.39Å; I142-D146 PolarHBondContact O-N 3.46Å; I142-L175 HydrophobicContact CB-CD2 4.49Å; I142-L175 HydrophobicContact CG1-CD2 4.37Å
143Q92.2Very high91.6Very high55 Ų5556.6 Ų56.626%0.25727%0.268SS..Hα-helixtrans-62.7-34.6177.8-66.9-179.48.300112.7E14 I18 H141 R147E14-Q143 HydrophobicContact CG-CG 4.23Å; E14-Q143 VanDerWaalsContact CG-NE2 3.26Å; I18-Q143 HydrophobicContact CD1-CB 4.44Å; I18-Q143 HydrophobicContact CD1-CG 3.83Å; H141-Q143 VanDerWaalsContact C-N 3.32Å; H141-Q143 PolarHBondContact O-N 2.79Å; H141-Q143 VanDerWaalsContact O-N 3.11Å; Q143-R147 WeakPolarHBondContact O-CB 3.45Å; Q143-R147 PolarHBondContact O-N 3.31Å; Q143-R147 VanDerWaalsContact O-N 3.15Å
144R91.6Very high91.1Very high121 Ų12156.5 Ų56.546%0.45727%0.266SS..Hα-helixtrans-75.5-42.9177.2-169.4-174.2172.5-1791.5110.5H141 I142 R147 D148 Y186H141-R144 WeakPolarHBondContact O-CA 3.41Å; H141-R144 VanDerWaalsContact O-CB 3.32Å; H141-R144 WeakPolarHBondContact O-CB 3.37Å; H141-R144 PolarHBondContact O-N 2.77Å; I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 3.49Å; R144-R147 PolarHBondContact O-N 2.87Å; R144-D148 WeakPolarHBondContact O-CB 3.49Å; R144-D148 VanDerWaalsContact O-CG 3.27Å; R144-D148 PolarHBondContact O-N 3.13Å; R144-Y186 HydrophobicContact CB-CD1 4.49Å; R144-Y186 HydrophobicContact CB-CE1 4.42Å; R144-Y186 HydrophobicContact CG-CD1 4.26Å; R144-Y186 HydrophobicContact CG-CE1 3.98Å
145I93.4Very high90.6Very high0 Ų059.2 Ų59.20%028%0.277CS..Hα-helixtrans-57.5-51.1173.8-60.1173.3000109.4H141 I142 R147 D148 V149 L171 L174 L175 Y186H141-I145 HydrophobicContact CB-CD1 4.2Å; H141-I145 HydrophobicContact CB-CG1 4.27Å; H141-I145 WeakPolarHBondContact O-CG1 3.43Å; H141-I145 PolarHBondContact O-N 3.02Å; I142-I145 PolarHBondContact O-N 2.98Å; I145-R147 PolarHBondContact O-N 3.35Å; I145-D148 PolarHBondContact O-N 2.93Å; I145-V149 HydrophobicContact CG2-CG2 4.19Å; I145-V149 WeakPolarHBondContact O-CB 3.45Å; I145-V149 VanDerWaalsContact O-CG2 3.28Å; I145-V149 WeakPolarHBondContact O-CG2 3.43Å; I145-V149 PolarHBondContact O-N 3.35Å; I145-L171 HydrophobicContact CG2-CD1 3.81Å; I145-L174 HydrophobicContact CD1-CB 4.48Å; I145-L174 HydrophobicContact CG2-CB 3.73Å; I145-L174 HydrophobicContact CG2-CD1 3.7Å; I145-L174 HydrophobicContact CG2-CG 4.38Å; I145-L175 HydrophobicContact CD1-CD2 3.91Å; I145-Y186 HydrophobicContact CD1-CD2 4.21Å; I145-Y186 HydrophobicContact CD1-CG 4.16Å; I145-Y186 HydrophobicContact CG1-CD1 3.68Å; I145-Y186 HydrophobicContact CG1-CD2 3.73Å; I145-Y186 HydrophobicContact CG1-CE1 3.86Å; I145-Y186 HydrophobicContact CG1-CE2 3.91Å; I145-Y186 HydrophobicContact CG1-CG 3.61Å
146D94.3Very high90.2Very high21 Ų2159.6 Ų59.611%0.11228%0.279CS..Hα-helixtrans-59.9-45.4-17917848.7000112.7I18 Y22 I142 D148 V149 S150 R162I18-D146 HydrophobicContact CG2-CB 3.96Å; Y22-D146 HydrophobicContact CE2-CB 4.49Å; Y22-D146 WeakPolarHBondContact CE2-OD1 3.38Å; Y22-D146 VanDerWaalsContact CZ-OD1 3.23Å; Y22-D146 PolarHBondContact OH-OD1 3.11Å; I142-D146 WeakPolarHBondContact O-CB 3.39Å; I142-D146 PolarHBondContact O-N 3.46Å; D146-D148 VanDerWaalsContact C-N 3.33Å; D146-D148 PolarHBondContact O-N 3.37Å; D146-V149 PolarHBondContact O-N 2.82Å; D146-S150 WeakPolarHBondContact O-CB 3.02Å; D146-S150 PolarHBondContact O-N 3.29Å; D146-R162 IonicContact OD1-CZ 3.5Å; D146-R162 IonicContact OD1-NH1 2.89Å; D146-R162 PolarHBondContact OD1-NH1 3.26Å; D146-R162 IonicContact OD1-NH2 3.21Å; D146-R162 PolarHBondContact OD1-NH2 3.39Å; D146-R162 IonicContact OD2-CZ 3.59Å; D146-R162 IonicContact OD2-NH2 3.2Å; D146-R162 PolarHBondContact OD2-NH2 3.23Å
147R92.4Very high89.8Confident177 Ų17759.4 Ų59.467%0.66828%0.279SS*.Hα-helixtrans-58.1-45.9175-173-177.3-57.9-172.12.9111.5Q143 R144 I145 S150 G151Q143-R147 WeakPolarHBondContact O-CB 3.45Å; Q143-R147 PolarHBondContact O-N 3.31Å; Q143-R147 VanDerWaalsContact O-N 3.15Å; R144-R147 PolarHBondContact O-N 2.87Å; I145-R147 PolarHBondContact O-N 3.35Å; R147-S150 WeakPolarHBondContact O-CB 3.28Å; R147-S150 PolarHBondContact O-N 3.45Å; R147-S150 PolarHBondContact O-OG 3.35Å; R147-G151 PolarHBondContact O-N 3.1Å
148D91.2Very high89.6Confident23 Ų2353.8 Ų53.812%0.12326%0.26CS..Hα-helixtrans-68.8-41.3179.8-69.2-27.5000111.7R144 I145 D146 S150 G151 T152 Y186 R188R144-D148 WeakPolarHBondContact O-CB 3.49Å; R144-D148 VanDerWaalsContact O-CG 3.27Å; R144-D148 PolarHBondContact O-N 3.13Å; I145-D148 PolarHBondContact O-N 2.93Å; D146-D148 VanDerWaalsContact C-N 3.33Å; D146-D148 PolarHBondContact O-N 3.37Å; D148-S150 VanDerWaalsContact C-N 3.27Å; D148-S150 PolarHBondContact O-N 3.48Å; D148-G151 PolarHBondContact O-N 2.85Å; D148-G151 VanDerWaalsContact O-N 3.1Å; D148-T152 WeakPolarHBondContact O-CB 3.49Å; D148-T152 PolarHBondContact O-N 2.57Å; D148-T152 PolarHBondContact O-OG1 3.3Å; D148-Y186 WeakPolarHBondContact CB-OH 3.26Å; D148-Y186 VanDerWaalsContact OD2-CE1 3.24Å; D148-Y186 WeakPolarHBondContact OD2-CE1 3.34Å; D148-Y186 PolarHBondContact OD2-OH 2.77Å; D148-R188 WeakPolarHBondContact OD1-CG 3.24Å; D148-R188 WeakPolarHBondContact OD2-CA 3.09Å; D148-R188 WeakPolarHBondContact OD2-CB 3.46Å; D148-R188 WeakPolarHBondContact OD2-CG 3.27Å
149V92.9Very high89.4Confident0 Ų051.3 Ų51.30%024%0.242CC..Hα-helixtrans-58.2-39.3172.2170.20000111.2Y22 I145 D146 G151 T152 Q167 L170 L174Y22-V149 HydrophobicContact CE1-CG1 4.24Å; Y22-V149 VanDerWaalsContact OH-CG1 3.24Å; Y22-V149 WeakPolarHBondContact OH-CG1 3.49Å; I145-V149 HydrophobicContact CG2-CG2 4.19Å; I145-V149 WeakPolarHBondContact O-CB 3.45Å; I145-V149 VanDerWaalsContact O-CG2 3.28Å; I145-V149 WeakPolarHBondContact O-CG2 3.43Å; I145-V149 PolarHBondContact O-N 3.35Å; D146-V149 PolarHBondContact O-N 2.82Å; V149-G151 PolarHBondContact O-N 3.08Å; V149-T152 PolarHBondContact O-N 3.28Å; V149-Q167 HydrophobicContact CG1-CB 3.78Å; V149-Q167 HydrophobicContact CG1-CG 4.01Å; V149-Q167 PolarHBondContact O-NE2 3.19Å; V149-L170 HydrophobicContact CB-CD2 4.46Å; V149-L170 HydrophobicContact CG1-CD2 4.24Å; V149-L170 HydrophobicContact CG2-CD2 3.95Å; V149-L170 HydrophobicContact CG2-CG 3.94Å; V149-L174 HydrophobicContact CG2-CD1 3.9Å
150S90.6Very high89.1Confident41 Ų4151.6 Ų51.629%0.28724%0.242SC..Hα-helixtrans-64.1-23.517787.20000114D146 R147 D148 R154D146-S150 WeakPolarHBondContact O-CB 3.02Å; D146-S150 PolarHBondContact O-N 3.29Å; R147-S150 WeakPolarHBondContact O-CB 3.28Å; R147-S150 PolarHBondContact O-N 3.45Å; R147-S150 PolarHBondContact O-OG 3.35Å; D148-S150 VanDerWaalsContact C-N 3.27Å; D148-S150 PolarHBondContact O-N 3.48Å; S150-R154 WeakPolarHBondContact O-CD 3.5Å; S150-R154 VanDerWaalsContact O-CG 3.32Å; S150-R154 WeakPolarHBondContact O-CG 3.36Å; S150-R154 PolarHBondContact O-NE 3.18Å
151G86.9Confident89Confident47 Ų4745.7 Ų45.749%0.48522%0.216SC..Hα-helixtrans-100.1-19.3177.300000114.9R147 D148 V149 R154R147-G151 PolarHBondContact O-N 3.1Å; D148-G151 PolarHBondContact O-N 2.85Å; D148-G151 VanDerWaalsContact O-N 3.1Å; V149-G151 PolarHBondContact O-N 3.08Å; G151-R154 WeakPolarHBondContact O-CG 3.32Å
152T88.2Confident89Confident0 Ų043.6 Ų43.60%021%0.206CC..THydrogen-bonded Turntrans-71.8128.9-171.3-65.90000112.7D148 V149 R154 L170 S191 H192 A195D148-T152 WeakPolarHBondContact O-CB 3.49Å; D148-T152 PolarHBondContact O-N 2.57Å; D148-T152 PolarHBondContact O-OG1 3.3Å; V149-T152 PolarHBondContact O-N 3.28Å; T152-R154 PolarHBondContact O-N 3.37Å; T152-L170 HydrophobicContact CG2-CD2 4.01Å; T152-S191 PolarHBondContact OG1-OG 2.93Å; T152-H192 PolarHBondContact OG1-CE1 3.2Å; T152-H192 PolarHBondContact OG1-NE2 3.11Å; T152-A195 HydrophobicContact CG2-CB 3.38Å
153L83.8Confident88.9Confident40 Ų4043.9 Ų43.921%0.20921%0.207CC..THydrogen-bonded Turntrans46.929.9175.4-66-175.9000115.7K155 H156 F159 A195 L199L153-K155 PolarHBondContact O-N 2.94Å; L153-H156 HydrophobicContact CB-CB 4.32Å; L153-H156 WeakPolarHBondContact O-CA 3.45Å; L153-H156 VanDerWaalsContact O-CB 3.28Å; L153-H156 WeakPolarHBondContact O-CB 3.28Å; L153-H156 PolarHBondContact O-N 3.13Å; L153-F159 HydrophobicContact CB-CB 4.18Å; L153-F159 HydrophobicContact CB-CD2 3.71Å; L153-F159 HydrophobicContact CB-CE2 4.39Å; L153-F159 HydrophobicContact CB-CG 4.1Å; L153-F159 HydrophobicContact CD1-CD2 4.01Å; L153-F159 HydrophobicContact CD1-CE2 3.87Å; L153-F159 HydrophobicContact CG-CD2 4.49Å; L153-A195 HydrophobicContact CD1-CB 3.77Å; L153-A195 HydrophobicContact CG-CB 4.29Å; L153-L199 HydrophobicContact CD1-CD1 4.33Å
154R85.7Confident88.8Confident51 Ų5141.8 Ų41.819%0.19220%0.2CC..THydrogen-bonded Turntrans-60.9-15.8-170.6-63.5-69.2-80.7170-3.2116.7S150 G151 T152 F159 R160 D161S150-R154 WeakPolarHBondContact O-CD 3.5Å; S150-R154 VanDerWaalsContact O-CG 3.32Å; S150-R154 WeakPolarHBondContact O-CG 3.36Å; S150-R154 PolarHBondContact O-NE 3.18Å; G151-R154 WeakPolarHBondContact O-CG 3.32Å; T152-R154 PolarHBondContact O-N 3.37Å; R154-F159 VanDerWaalsContact CD-O 3.28Å; R154-F159 WeakPolarHBondContact CD-O 3.15Å; R154-F159 PolarHBondContact NH1-O 3.14Å; R154-R160 PolarHBondContact NH1-O 3.24Å; R154-R160 PolarHBondContact NH2-O 3.24Å; R154-D161 PolarHBondContact NH1-O 3.06Å
155K83.3Confident88.8Confident157 Ų15740.2 Ų40.268%0.68320%0.203SC*.THydrogen-bonded Turntrans-80-19.5171.3-59.5-171.7177.6-173.90112.9I51 V52 L153I51-K155 WeakPolarHBondContact CA-O 3.22Å; I51-K155 HydrophobicContact CG2-CB 4.08Å; V52-K155 PolarHBondContact N-O 3.34Å; L153-K155 PolarHBondContact O-N 2.94Å
156H86.3Confident88.8Confident10 Ų1042.2 Ų42.25%0.04621%0.212CC..BIsolated β-bridgetrans-80.3131.8176.1-170.3-84.4000110.3L49 G50 I51 L153 F158 F159 R160 L199L49-H156 PolarHBondContact O-CD2 3.34Å; L49-H156 PolarHBondContact O-NE2 3.2Å; L49-H156 VanDerWaalsContact O-NE2 3.07Å; G50-H156 WeakPolarHBondContact O-CA 3.27Å; I51-H156 HydrophobicContact CD1-CB 4Å; L153-H156 HydrophobicContact CB-CB 4.32Å; L153-H156 WeakPolarHBondContact O-CA 3.45Å; L153-H156 VanDerWaalsContact O-CB 3.28Å; L153-H156 WeakPolarHBondContact O-CB 3.28Å; L153-H156 PolarHBondContact O-N 3.13Å; H156-F158 VanDerWaalsContact C-N 3.26Å; H156-F158 AromaticContact CE1-CD2 3.41Å; H156-F158 VanDerWaalsContact CE1-CD2 3.41Å; H156-F158 WeakPolarHBondContact CE1-CD2 3.49Å; H156-F158 AromaticContact CE1-CG 3.65Å; H156-F158 AromaticContact ND1-CD2 3.97Å; H156-F158 AromaticContact ND1-CG 3.87Å; H156-F158 PolarHBondContact ND1-N 2.67Å; H156-F158 PolarHBondContact O-N 2.71Å; H156-F158 VanDerWaalsContact O-N 3.12Å; H156-F159 HydrophobicContact CB-CD2 4.45Å; H156-F159 PolarHBondContact O-N 3.08Å; H156-R160 PolarHBondContact O-N 2.77Å; H156-L199 WeakPolarHBondContact CE1-CD2 3.32Å
157I86.4Confident88.8Confident22 Ų2241.2 Ų41.211%0.11321%0.207CC..G310 helixtrans-45.4-45.5-176.7-176.2171.2000113.7V46 G50 V52 F159 W447V46-I157 HydrophobicContact CG2-CD1 4.49Å; G50-I157 WeakPolarHBondContact O-CB 3.48Å; G50-I157 WeakPolarHBondContact O-CG2 3.48Å; G50-I157 PolarHBondContact O-N 3.07Å; V52-I157 HydrophobicContact CG2-CB 4.22Å; I157-F159 PolarHBondContact O-N 3.07Å; I157-W447 HydrophobicContact CD1-CD2 3.9Å; I157-W447 HydrophobicContact CD1-CG 4.1Å; I157-W447 HydrophobicContact CD1-CH2 4.38Å; I157-W447 HydrophobicContact CD1-CZ2 3.54Å; I157-W447 VanDerWaalsContact CD1-NE1 3.32Å
158F87.5Confident88.9Confident67 Ų6736.3 Ų36.329%0.29419%0.188SC..G310 helixtrans-65.9-30.8-179.6-67.2-18.9000114.9H156 K166 L199 W479H156-F158 VanDerWaalsContact C-N 3.26Å; H156-F158 AromaticContact CE1-CD2 3.41Å; H156-F158 VanDerWaalsContact CE1-CD2 3.41Å; H156-F158 WeakPolarHBondContact CE1-CD2 3.49Å; H156-F158 AromaticContact CE1-CG 3.65Å; H156-F158 AromaticContact ND1-CD2 3.97Å; H156-F158 AromaticContact ND1-CG 3.87Å; H156-F158 PolarHBondContact ND1-N 2.67Å; H156-F158 PolarHBondContact O-N 2.71Å; H156-F158 VanDerWaalsContact O-N 3.12Å; F158-K166 HydrophobicContact CB-CB 4.06Å; F158-K166 HydrophobicContact CB-CG 3.93Å; F158-K166 HydrophobicContact CG-CG 4.3Å; F158-K166 WeakPolarHBondContact O-CB 3.42Å; F158-L199 HydrophobicContact CD2-CD2 3.98Å; F158-W479 HydrophobicContact CE1-CZ2 4.44Å; F158-W479 HydrophobicContact CZ-CZ2 4.32Å; F158-W479 AromaticContact CZ-NE1 3.96Å
159F88.5Confident89.2Confident0 Ų036.6 Ų36.60%019%0.189CC..G310 helixtrans-102.51.2-176.2-67-75.8000113L153 R154 H156 I157 K166 Q167 L170 A195 L198 L199L153-F159 HydrophobicContact CB-CB 4.18Å; L153-F159 HydrophobicContact CB-CD2 3.71Å; L153-F159 HydrophobicContact CB-CE2 4.39Å; L153-F159 HydrophobicContact CB-CG 4.1Å; L153-F159 HydrophobicContact CD1-CD2 4.01Å; L153-F159 HydrophobicContact CD1-CE2 3.87Å; L153-F159 HydrophobicContact CG-CD2 4.49Å; R154-F159 VanDerWaalsContact CD-O 3.28Å; R154-F159 WeakPolarHBondContact CD-O 3.15Å; R154-F159 PolarHBondContact NH1-O 3.14Å; H156-F159 HydrophobicContact CB-CD2 4.45Å; H156-F159 PolarHBondContact O-N 3.08Å; I157-F159 PolarHBondContact O-N 3.07Å; F159-K166 HydrophobicContact CD1-CB 4.29Å; F159-K166 HydrophobicContact CE1-CB 4.02Å; F159-K166 VanDerWaalsContact CE1-O 3.31Å; F159-K166 WeakPolarHBondContact CE1-O 3.47Å; F159-K166 HydrophobicContact CZ-CB 4.35Å; F159-Q167 HydrophobicContact CD1-CG 4.22Å; F159-Q167 PolarHBondContact O-NE2 3.41Å; F159-L170 HydrophobicContact CD1-CD2 4.35Å; F159-L170 HydrophobicContact CE1-CB 4.19Å; F159-L170 HydrophobicContact CE1-CD2 3.91Å; F159-A195 HydrophobicContact CE1-CB 4.02Å; F159-A195 HydrophobicContact CE2-CB 4.04Å; F159-A195 HydrophobicContact CZ-CB 3.63Å; F159-A195 WeakPolarHBondContact CZ-O 3.28Å; F159-L198 HydrophobicContact CE1-CD2 4.23Å; F159-L198 HydrophobicContact CZ-CB 4.34Å; F159-L198 HydrophobicContact CZ-CD2 4.1Å; F159-L199 HydrophobicContact CD2-CD2 4.28Å; F159-L199 HydrophobicContact CE2-CD2 3.67Å; F159-L199 HydrophobicContact CE2-CG 4.34Å
160R85Confident89.4Confident10 Ų1036.6 Ų36.64%0.03819%0.189CC..SBendtrans-69.4-38.7-174.8-175.8-172.2174.7168.81.8113.9P36 K37 R154 H156P36-R160 HydrophobicContact CG-CG 3.81Å; P36-R160 PolarHBondContact O-NE 2.99Å; P36-R160 PolarHBondContact O-NH2 3.2Å; K37-R160 PolarHBondContact O-NH2 2.96Å; R154-R160 PolarHBondContact NH1-O 3.24Å; R154-R160 PolarHBondContact NH2-O 3.24Å; H156-R160 PolarHBondContact O-N 2.77Å
161D85.5Confident89.7Confident46 Ų4634.7 Ų34.725%0.24618%0.175CC..SBendtrans-87.3132.5-174.1-61.7-22000109.4R154 G164 Q167R154-D161 PolarHBondContact NH1-O 3.06Å; D161-G164 PolarHBondContact O-N 3.31Å; D161-Q167 PolarHBondContact O-OE1 2.94Å
162R90.8Very high90.2Very high21 Ų2132.8 Ų32.88%0.07915%0.154CC..THydrogen-bonded Turntrans-75.3129.4-175.3-179.654.1173.8158.1-0.6109.4Y22 H26 D33 D146 G164Y22-R162 PolarHBondContact OH-NH1 3.49Å; H26-R162 VanDerWaalsContact CB-O 3.32Å; H26-R162 WeakPolarHBondContact CB-O 3.14Å; H26-R162 PolarHBondContact ND1-O 2.8Å; D33-R162 WeakPolarHBondContact O-CB 3.27Å; D146-R162 IonicContact OD1-CZ 3.5Å; D146-R162 IonicContact OD1-NH1 2.89Å; D146-R162 PolarHBondContact OD1-NH1 3.26Å; D146-R162 IonicContact OD1-NH2 3.21Å; D146-R162 PolarHBondContact OD1-NH2 3.39Å; D146-R162 IonicContact OD2-CZ 3.59Å; D146-R162 IonicContact OD2-NH2 3.2Å; D146-R162 PolarHBondContact OD2-NH2 3.23Å; R162-G164 PolarHBondContact O-N 3.33Å
163Y91.6Very high90.6Very high13 Ų1332.8 Ų32.85%0.05115%0.154CC..THydrogen-bonded Turntrans61.319.3-169-42.8-62.5000113.6K21 Y22 G25 H26 D33K21-Y163 HydrophobicContact CB-CD1 4.1Å; K21-Y163 HydrophobicContact CB-CD2 4.32Å; K21-Y163 HydrophobicContact CB-CE1 3.77Å; K21-Y163 HydrophobicContact CB-CE2 4.02Å; K21-Y163 HydrophobicContact CB-CG 4.38Å; K21-Y163 HydrophobicContact CD-CE2 4.47Å; Y22-Y163 AromaticContact CD1-CD1 3.95Å; Y22-Y163 HydrophobicContact CD1-CD1 3.95Å; Y22-Y163 AromaticContact CD2-CD1 3.86Å; Y22-Y163 HydrophobicContact CD2-CD1 3.86Å; Y22-Y163 HydrophobicContact CD2-CE1 4.13Å; Y22-Y163 AromaticContact CE1-CD1 3.95Å; Y22-Y163 HydrophobicContact CE1-CD1 3.95Å; Y22-Y163 AromaticContact CE2-CD1 3.83Å; Y22-Y163 HydrophobicContact CE2-CD1 3.83Å; Y22-Y163 AromaticContact CE2-CE1 3.86Å; Y22-Y163 HydrophobicContact CE2-CE1 3.86Å; Y22-Y163 AromaticContact CG-CD1 3.93Å; Y22-Y163 HydrophobicContact CG-CD1 3.93Å; Y22-Y163 AromaticContact CZ-CD1 3.88Å; G25-Y163 CarbonylContact C-O 3.55Å; G25-Y163 WeakPolarHBondContact CA-O 3.03Å; H26-Y163 PolarHBondContact N-O 3.49Å; H26-Y163 VanDerWaalsContact N-O 3.14Å; D33-Y163 VanDerWaalsContact OD1-CD2 3.32Å; D33-Y163 WeakPolarHBondContact OD1-CD2 3.29Å; D33-Y163 VanDerWaalsContact OD1-CE2 3.31Å; D33-Y163 WeakPolarHBondContact OD1-CE2 3.19Å
164G89.9Confident91.1Very high11 Ų1130.9 Ų30.911%0.11314%0.144CC..  trans-65.7159.6171.800000112.2D161 R162 K166 Q167 R168D161-G164 PolarHBondContact O-N 3.31Å; R162-G164 PolarHBondContact O-N 3.33Å; G164-K166 VanDerWaalsContact C-N 3.26Å; G164-K166 PolarHBondContact O-N 3.16Å; G164-Q167 WeakPolarHBondContact O-CA 3.46Å; G164-Q167 WeakPolarHBondContact O-CB 3.43Å; G164-Q167 PolarHBondContact O-N 3.47Å; G164-R168 PolarHBondContact O-N 3.14Å
165T91.6Very high91.6Very high87 Ų8728.5 Ų28.553%0.53414%0.135SC..Hα-helixtrans-46.5-45.9-172.4-43.40000113.5R168 E169T165-R168 WeakPolarHBondContact O-CB 3.26Å; T165-R168 PolarHBondContact O-N 2.92Å; T165-E169 WeakPolarHBondContact O-CG 3.46Å; T165-E169 PolarHBondContact O-N 3.34Å
166K93Very high92.2Very high42 Ų4221 Ų2118%0.18310%0.103CC..Hα-helixtrans-75.6-25-178.2-72.4-86.1168-166.30113.7F158 F159 G164 E169 L170 L198F158-K166 HydrophobicContact CB-CB 4.06Å; F158-K166 HydrophobicContact CB-CG 3.93Å; F158-K166 HydrophobicContact CG-CG 4.3Å; F158-K166 WeakPolarHBondContact O-CB 3.42Å; F159-K166 HydrophobicContact CD1-CB 4.29Å; F159-K166 HydrophobicContact CE1-CB 4.02Å; F159-K166 VanDerWaalsContact CE1-O 3.31Å; F159-K166 WeakPolarHBondContact CE1-O 3.47Å; F159-K166 HydrophobicContact CZ-CB 4.35Å; G164-K166 VanDerWaalsContact C-N 3.26Å; G164-K166 PolarHBondContact O-N 3.16Å; K166-E169 VanDerWaalsContact CD-OE2 3.29Å; K166-E169 WeakPolarHBondContact CD-OE2 3.2Å; K166-E169 WeakPolarHBondContact CE-OE2 3.3Å; K166-E169 IonicContact NZ-OE1 2.72Å; K166-E169 IonicContact NZ-OE2 3.56Å; K166-E169 PolarHBondContact NZ-OE2 2.69Å; K166-L170 VanDerWaalsContact O-CB 3.25Å; K166-L170 WeakPolarHBondContact O-CB 3.22Å; K166-L170 PolarHBondContact O-N 3.1Å; K166-L170 VanDerWaalsContact O-N 3.09Å; K166-L198 HydrophobicContact CD-CD2 4.07Å; K166-L198 HydrophobicContact CD-CG 3.83Å; K166-L198 PolarHBondContact NZ-O 2.87Å; K166-L198 VanDerWaalsContact NZ-O 3.08Å; K166-L198 WeakPolarHBondContact O-CD2 3.41Å
167Q94.2Very high92.5Very high0 Ų020.8 Ų20.80%010%0.101CC..Hα-helixtrans-71-36.9166.8-72.4-158.9-33.600111.7Y22 V149 F159 D161 G164 L170 L171Y22-Q167 HydrophobicContact CE1-CB 4.12Å; V149-Q167 HydrophobicContact CG1-CB 3.78Å; V149-Q167 HydrophobicContact CG1-CG 4.01Å; V149-Q167 PolarHBondContact O-NE2 3.19Å; F159-Q167 HydrophobicContact CD1-CG 4.22Å; F159-Q167 PolarHBondContact O-NE2 3.41Å; D161-Q167 PolarHBondContact O-OE1 2.94Å; G164-Q167 WeakPolarHBondContact O-CA 3.46Å; G164-Q167 WeakPolarHBondContact O-CB 3.43Å; G164-Q167 PolarHBondContact O-N 3.47Å; Q167-L170 PolarHBondContact O-N 2.74Å; Q167-L171 PolarHBondContact O-N 2.85Å
168R95.3Very high92.8Very high74 Ų7420.8 Ų20.828%0.27910%0.101SC..Hα-helixtrans-66.5-49.1175.2-179.4176.267.8-167.83.7112.3Y22 G164 T165 L170 L171 H172Y22-R168 HydrophobicContact CD1-CB 3.94Å; Y22-R168 HydrophobicContact CD1-CG 4.43Å; Y22-R168 WeakPolarHBondContact O-CD 3.47Å; G164-R168 PolarHBondContact O-N 3.14Å; T165-R168 WeakPolarHBondContact O-CB 3.26Å; T165-R168 PolarHBondContact O-N 2.92Å; R168-L170 PolarHBondContact O-N 3.33Å; R168-L171 WeakPolarHBondContact O-CB 3.41Å; R168-L171 PolarHBondContact O-N 2.89Å; R168-H172 VanDerWaalsContact CG-CE1 3.47Å; R168-H172 WeakPolarHBondContact CG-CE1 3.41Å; R168-H172 VanDerWaalsContact O-CG 3.24Å; R168-H172 PolarHBondContact O-N 3.28Å; R168-H172 PolarHBondContact O-ND1 2.71Å
169E96.6Very high93.1Very high30 Ų3020.2 Ų20.214%0.1410%0.099CC..Hα-helixtrans-53.8-43.1171.7-73.8172.8-145.200111.3T165 K166 H172 I173 L198 E203T165-E169 WeakPolarHBondContact O-CG 3.46Å; T165-E169 PolarHBondContact O-N 3.34Å; K166-E169 VanDerWaalsContact CD-OE2 3.29Å; K166-E169 WeakPolarHBondContact CD-OE2 3.2Å; K166-E169 WeakPolarHBondContact CE-OE2 3.3Å; K166-E169 IonicContact NZ-OE1 2.72Å; K166-E169 IonicContact NZ-OE2 3.56Å; K166-E169 PolarHBondContact NZ-OE2 2.69Å; E169-H172 PolarHBondContact O-N 2.93Å; E169-I173 VanDerWaalsContact O-CG1 3.32Å; E169-I173 WeakPolarHBondContact O-CG1 3.48Å; E169-I173 PolarHBondContact O-N 3.32Å; E169-I173 VanDerWaalsContact O-N 3.1Å; E169-L198 HydrophobicContact CB-CD1 4.17Å; E169-L198 HydrophobicContact CB-CD2 3.66Å; E169-L198 HydrophobicContact CB-CG 4.42Å; E169-L198 VanDerWaalsContact OE2-CD1 3.22Å; E169-L198 WeakPolarHBondContact OE2-CD1 3.46Å; E169-E203 HydrophobicContact CB-CB 4.48Å; E169-E203 HydrophobicContact CB-CG 4.05Å; E169-E203 HydrophobicContact CG-CB 4.27Å; E169-E203 HydrophobicContact CG-CG 4.18Å; E169-E203 WeakPolarHBondContact CG-OE2 3.24Å
170L96.6Very high93.2Very high0 Ų022.9 Ų22.90%011%0.11CC..Hα-helixtrans-63.8-44.6176.4179.560.4000112.7V149 T152 F159 K166 Q167 R168 H172 I173 L174 S191 A194 A195 L198V149-L170 HydrophobicContact CB-CD2 4.46Å; V149-L170 HydrophobicContact CG1-CD2 4.24Å; V149-L170 HydrophobicContact CG2-CD2 3.95Å; V149-L170 HydrophobicContact CG2-CG 3.94Å; T152-L170 HydrophobicContact CG2-CD2 4.01Å; F159-L170 HydrophobicContact CD1-CD2 4.35Å; F159-L170 HydrophobicContact CE1-CB 4.19Å; F159-L170 HydrophobicContact CE1-CD2 3.91Å; K166-L170 VanDerWaalsContact O-CB 3.25Å; K166-L170 WeakPolarHBondContact O-CB 3.22Å; K166-L170 PolarHBondContact O-N 3.1Å; K166-L170 VanDerWaalsContact O-N 3.09Å; Q167-L170 PolarHBondContact O-N 2.74Å; R168-L170 PolarHBondContact O-N 3.33Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.46Å; L170-I173 PolarHBondContact O-N 3.03Å; L170-L174 HydrophobicContact CD1-CD1 4.1Å; L170-L174 HydrophobicContact CD1-CG 4.32Å; L170-L174 HydrophobicContact CG-CD1 4.12Å; L170-L174 VanDerWaalsContact O-CG 3.3Å; L170-L174 WeakPolarHBondContact O-CG 3.33Å; L170-L174 PolarHBondContact O-N 3.43Å; L170-S191 WeakPolarHBondContact CD1-O 3.35Å; L170-A194 HydrophobicContact CD1-CB 3.44Å; L170-A194 VanDerWaalsContact CD1-CB 3.44Å; L170-A195 HydrophobicContact CD1-CB 4.06Å; L170-A195 HydrophobicContact CD2-CB 3.83Å; L170-L198 HydrophobicContact CB-CD2 4.03Å
171L96.7Very high93.2Very high0 Ų023.9 Ų23.90%012%0.116CC..Hα-helixtrans-56.2-48.1174.2-173.388.5000110.8I19 Y22 I145 Q167 R168 I173 L174 L175I19-L171 HydrophobicContact CD1-CD2 3.98Å; Y22-L171 HydrophobicContact CD1-CB 4.33Å; Y22-L171 HydrophobicContact CD1-CD2 4.17Å; Y22-L171 HydrophobicContact CD2-CD1 4.4Å; Y22-L171 HydrophobicContact CD2-CD2 3.57Å; Y22-L171 HydrophobicContact CD2-CG 4.48Å; Y22-L171 HydrophobicContact CE1-CB 4.07Å; Y22-L171 HydrophobicContact CE1-CD2 4.4Å; Y22-L171 HydrophobicContact CE2-CD1 3.83Å; Y22-L171 HydrophobicContact CE2-CD2 3.86Å; Y22-L171 HydrophobicContact CE2-CG 4.33Å; Y22-L171 HydrophobicContact CG-CD2 3.73Å; I145-L171 HydrophobicContact CG2-CD1 3.81Å; Q167-L171 PolarHBondContact O-N 2.85Å; R168-L171 WeakPolarHBondContact O-CB 3.41Å; R168-L171 PolarHBondContact O-N 2.89Å; L171-I173 PolarHBondContact O-N 3.49Å; L171-L174 PolarHBondContact O-N 3.03Å; L171-L175 HydrophobicContact CD2-CD1 3.9Å; L171-L175 HydrophobicContact CG-CD1 3.83Å; L171-L175 HydrophobicContact CG-CG 4.3Å; L171-L175 WeakPolarHBondContact O-CG 3.42Å; L171-L175 PolarHBondContact O-N 3.08Å
172H97Very high93.1Very high8 Ų826.1 Ų26.14%0.03713%0.133CC..Hα-helixtrans-57.8-44.8179.6-63.7159.4000112.9Y128 K132 K136 R168 E169 L170 L174 L175 A176 E203Y128-H172 WeakPolarHBondContact OH-CB 2.9Å; K132-H172 HydrophobicContact CD-CB 3.94Å; K132-H172 VanDerWaalsContact CE-CG 3.47Å; K132-H172 VanDerWaalsContact CE-ND1 3.31Å; K132-H172 WeakPolarHBondContact CE-ND1 3.49Å; K132-H172 HydrophobicContact CG-CB 4.11Å; K132-H172 PolarHBondContact NZ-ND1 3.47Å; K136-H172 WeakPolarHBondContact CE-NE2 3.24Å; R168-H172 VanDerWaalsContact CG-CE1 3.47Å; R168-H172 WeakPolarHBondContact CG-CE1 3.41Å; R168-H172 VanDerWaalsContact O-CG 3.24Å; R168-H172 PolarHBondContact O-N 3.28Å; R168-H172 PolarHBondContact O-ND1 2.71Å; E169-H172 PolarHBondContact O-N 2.93Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.46Å; H172-L174 VanDerWaalsContact C-N 3.31Å; H172-L174 PolarHBondContact O-N 2.92Å; H172-L175 PolarHBondContact O-N 3.25Å; H172-A176 VanDerWaalsContact O-CB 3.29Å; H172-A176 WeakPolarHBondContact O-CB 3.23Å; H172-A176 PolarHBondContact O-N 2.92Å; H172-E203 VanDerWaalsContact CB-OE1 3.31Å; H172-E203 WeakPolarHBondContact CB-OE1 3.47Å; H172-E203 IonicContact CG-OE1 2.69Å; H172-E203 IonicContact ND1-OE1 3.78Å; H172-E203 PolarHBondContact ND1-OE1 3.27Å; H172-E203 IonicContact ND1-OE2 2.67Å; H172-E203 PolarHBondContact ND1-OE2 3.46Å
173I96.8Very high92.5Very high0 Ų033.7 Ų33.70%017%0.169CC..Hα-helixtrans-61-41.2178.4-68.5163.3000111E169 L170 L171 Y177 A194 L198 E203 A206 F207 L210E169-I173 VanDerWaalsContact O-CG1 3.32Å; E169-I173 WeakPolarHBondContact O-CG1 3.48Å; E169-I173 PolarHBondContact O-N 3.32Å; E169-I173 VanDerWaalsContact O-N 3.1Å; L170-I173 PolarHBondContact O-N 3.03Å; L171-I173 PolarHBondContact O-N 3.49Å; I173-Y177 WeakPolarHBondContact O-CB 3.4Å; I173-Y177 PolarHBondContact O-N 2.88Å; I173-A194 HydrophobicContact CG2-CB 3.91Å; I173-L198 HydrophobicContact CD1-CD1 3.79Å; I173-L198 HydrophobicContact CD1-CD2 4.28Å; I173-L198 HydrophobicContact CD1-CG 4.49Å; I173-E203 HydrophobicContact CD1-CG 4.25Å; I173-E203 WeakPolarHBondContact CD1-O 3.35Å; I173-E203 HydrophobicContact CG1-CG 4.07Å; I173-A206 HydrophobicContact CD1-CB 3.86Å; I173-F207 HydrophobicContact CG1-CB 4.25Å; I173-F207 HydrophobicContact CG2-CB 4.18Å; I173-F207 HydrophobicContact CG2-CD2 4.36Å; I173-L210 HydrophobicContact CG2-CD2 4.12Å
174L95.4Very high91.8Very high0 Ų035.2 Ų35.20%018%0.179CC..Hα-helixtrans-73.5-41.4-177.8-62.6172.1000112.1I145 V149 L170 L171 H172 Y177 E178 Y186 L190 A194I145-L174 HydrophobicContact CD1-CB 4.48Å; I145-L174 HydrophobicContact CG2-CB 3.73Å; I145-L174 HydrophobicContact CG2-CD1 3.7Å; I145-L174 HydrophobicContact CG2-CG 4.38Å; V149-L174 HydrophobicContact CG2-CD1 3.9Å; L170-L174 HydrophobicContact CD1-CD1 4.1Å; L170-L174 HydrophobicContact CD1-CG 4.32Å; L170-L174 HydrophobicContact CG-CD1 4.12Å; L170-L174 VanDerWaalsContact O-CG 3.3Å; L170-L174 WeakPolarHBondContact O-CG 3.33Å; L170-L174 PolarHBondContact O-N 3.43Å; L171-L174 PolarHBondContact O-N 3.03Å; H172-L174 VanDerWaalsContact C-N 3.31Å; H172-L174 PolarHBondContact O-N 2.92Å; L174-Y177 PolarHBondContact O-N 3.15Å; L174-E178 PolarHBondContact O-N 3.13Å; L174-Y186 HydrophobicContact CB-CE2 4.4Å; L174-Y186 HydrophobicContact CD1-CE2 4.1Å; L174-Y186 HydrophobicContact CD2-CE2 4.07Å; L174-Y186 HydrophobicContact CG-CE2 4.4Å; L174-L190 HydrophobicContact CD2-CB 3.85Å; L174-A194 HydrophobicContact CD2-CB 4.07Å
175L95.5Very high91.2Very high0 Ų035 Ų350%018%0.178CC..Hα-helixtrans-62.1-41.9172.7-68.1171.6000111.9I19 K136 S139 I142 I145 L171 H172 Y177 E179I19-L175 HydrophobicContact CD1-CD1 3.91Å; K136-L175 HydrophobicContact CG-CD1 4.14Å; S139-L175 VanDerWaalsContact CB-CD2 3.42Å; S139-L175 WeakPolarHBondContact OG-CD2 3.39Å; I142-L175 HydrophobicContact CB-CD2 4.49Å; I142-L175 HydrophobicContact CG1-CD2 4.37Å; I145-L175 HydrophobicContact CD1-CD2 3.91Å; L171-L175 HydrophobicContact CD2-CD1 3.9Å; L171-L175 HydrophobicContact CG-CD1 3.83Å; L171-L175 HydrophobicContact CG-CG 4.3Å; L171-L175 WeakPolarHBondContact O-CG 3.42Å; L171-L175 PolarHBondContact O-N 3.08Å; H172-L175 PolarHBondContact O-N 3.25Å; L175-Y177 VanDerWaalsContact C-N 3.3Å; L175-Y177 PolarHBondContact O-N 3.35Å; L175-E179 PolarHBondContact O-N 3.15Å
176A96Very high90.8Very high0 Ų031.3 Ų31.30%015%0.154CC..Hα-helixtrans-68.2-29175.700000112.6Y128 M131 K132 H172 Y180 F207Y128-A176 HydrophobicContact CD2-CB 3.95Å; Y128-A176 HydrophobicContact CE2-CB 3.59Å; M131-A176 HydrophobicContact CB-CB 4.13Å; K132-A176 HydrophobicContact CB-CB 4.26Å; H172-A176 VanDerWaalsContact O-CB 3.29Å; H172-A176 WeakPolarHBondContact O-CB 3.23Å; H172-A176 PolarHBondContact O-N 2.92Å; A176-Y180 WeakPolarHBondContact O-CB 3.31Å; A176-Y180 PolarHBondContact O-N 2.87Å; A176-F207 HydrophobicContact CB-CD2 3.99Å; A176-F207 HydrophobicContact CB-CE2 3.84Å
177Y93.4Very high90.3Very high6 Ų631.2 Ų31.22%0.02416%0.159CC..Hα-helixtrans-74.1-41.2176.6-174.1-87.6000112.5I173 L174 L175 E179 Y180 N181 L190 L210 V211 L214I173-Y177 WeakPolarHBondContact O-CB 3.4Å; I173-Y177 PolarHBondContact O-N 2.88Å; L174-Y177 PolarHBondContact O-N 3.15Å; L175-Y177 VanDerWaalsContact C-N 3.3Å; L175-Y177 PolarHBondContact O-N 3.35Å; Y177-E179 VanDerWaalsContact C-N 3.26Å; Y177-E179 PolarHBondContact O-N 3.1Å; Y177-Y180 PolarHBondContact O-N 3.23Å; Y177-Y180 VanDerWaalsContact O-N 3.09Å; Y177-N181 PolarHBondContact O-N 2.79Å; Y177-L190 HydrophobicContact CD1-CD1 3.69Å; Y177-L190 HydrophobicContact CE1-CD1 3.74Å; Y177-L190 HydrophobicContact CE1-CD2 4.44Å; Y177-L210 HydrophobicContact CD2-CD2 3.81Å; Y177-L210 HydrophobicContact CD2-CG 4.15Å; Y177-L210 HydrophobicContact CE2-CD2 4.47Å; Y177-L210 HydrophobicContact CE2-CG 4.39Å; Y177-L210 HydrophobicContact CG-CD2 4.06Å; Y177-V211 HydrophobicContact CD2-CG2 4.17Å; Y177-V211 HydrophobicContact CE2-CG2 4.34Å; Y177-L214 HydrophobicContact CE1-CD1 4.42Å; Y177-L214 HydrophobicContact CE2-CD1 3.7Å; Y177-L214 WeakPolarHBondContact OH-CD1 2.91Å
178E92.2Very high89.7Confident22 Ų2236.5 Ų36.510%0.10318%0.178CC..Hα-helixtrans-54.9-43.4173.2-174.6-178.7-179.400111S139 E140 H141 L174 N181 P182S139-E178 VanDerWaalsContact CB-OE2 3.25Å; S139-E178 WeakPolarHBondContact CB-OE2 3.35Å; S139-E178 PolarHBondContact OG-OE1 3.49Å; S139-E178 PolarHBondContact OG-OE2 3.05Å; E140-E178 PolarHBondContact N-OE1 2.96Å; H141-E178 IonicContact CE1-OE1 2.67Å; H141-E178 IonicContact CG-OE1 2.81Å; H141-E178 PolarHBondContact N-OE1 2.98Å; H141-E178 IonicContact ND1-OE1 3.47Å; H141-E178 PolarHBondContact ND1-OE1 3.23Å; L174-E178 PolarHBondContact O-N 3.13Å; E178-N181 CarbonylContact O-C 3.5Å; E178-P182 WeakPolarHBondContact O-CA 3.43Å
179E93.2Very high88.9Confident55 Ų5533.7 Ų33.726%0.25717%0.169SC..Hα-helixtrans-72.4-32.7174.7176.857.3-146.300113.5M131 K134 L175 Y177M131-E179 HydrophobicContact CB-CB 4.21Å; M131-E179 HydrophobicContact CB-CG 3.91Å; M131-E179 HydrophobicContact CG-CG 3.94Å; K134-E179 HydrophobicContact CB-CG 4.36Å; K134-E179 VanDerWaalsContact CD-CD 3.42Å; K134-E179 HydrophobicContact CD-CG 4.17Å; K134-E179 WeakPolarHBondContact CD-OE1 3.47Å; K134-E179 VanDerWaalsContact CD-OE2 3.26Å; K134-E179 WeakPolarHBondContact CD-OE2 3.43Å; K134-E179 WeakPolarHBondContact CE-OE1 3.25Å; K134-E179 WeakPolarHBondContact CE-OE2 3.35Å; K134-E179 HydrophobicContact CG-CG 4.38Å; K134-E179 IonicContact NZ-OE1 2.65Å; K134-E179 PolarHBondContact NZ-OE1 3.06Å; K134-E179 IonicContact NZ-OE2 2.84Å; K134-E179 PolarHBondContact NZ-OE2 3.46Å; L175-E179 PolarHBondContact O-N 3.15Å; Y177-E179 VanDerWaalsContact C-N 3.26Å; Y177-E179 PolarHBondContact O-N 3.1Å
180Y90.7Very high88.5Confident56 Ų5632.6 Ų32.622%0.2216%0.164CC..Hα-helixtrans-68.7-34.1178.1-178.7-91.2000112.7M131 A176 Y177 F207 W208 V211M131-Y180 HydrophobicContact CE-CD2 3.91Å; M131-Y180 HydrophobicContact SD-CD2 3.7Å; M131-Y180 HydrophobicContact SD-CG 4.28Å; A176-Y180 WeakPolarHBondContact O-CB 3.31Å; A176-Y180 PolarHBondContact O-N 2.87Å; Y177-Y180 PolarHBondContact O-N 3.23Å; Y177-Y180 VanDerWaalsContact O-N 3.09Å; Y180-F207 HydrophobicContact CD2-CZ 4.12Å; Y180-F207 HydrophobicContact CG-CZ 4.15Å; Y180-W208 HydrophobicContact CE2-CZ3 4.17Å; Y180-V211 HydrophobicContact CD1-CG1 4.27Å; Y180-V211 HydrophobicContact CD1-CG2 3.96Å; Y180-V211 HydrophobicContact CE1-CB 4.42Å; Y180-V211 HydrophobicContact CE1-CG1 3.52Å; Y180-V211 HydrophobicContact CE1-CG2 4.06Å; Y180-V211 HydrophobicContact CE2-CG1 4.27Å; Y180-V211 HydrophobicContact CG-CG2 4.23Å
181N85.5Confident88.2Confident31 Ų3132.6 Ų32.617%0.16616%0.164CC..  trans-141.875-178.3-169.16.3000112.1Y177 E178 E183 V184 G185Y177-N181 PolarHBondContact O-N 2.79Å; E178-N181 CarbonylContact O-C 3.5Å; N181-E183 PolarHBondContact O-N 3.01Å; N181-V184 WeakPolarHBondContact ND2-CG2 3.26Å; N181-V184 PolarHBondContact O-N 2.65Å; N181-G185 PolarHBondContact O-N 3.1Å
182P82.8Confident87.8Confident93 Ų9334.1 Ų34.160%0.60417%0.171SC*.THydrogen-bonded Turntrans-62.9-26.4-17625.2-35.2000113.4E178 V184 G185E178-P182 WeakPolarHBondContact O-CA 3.43Å; P182-V184 VanDerWaalsContact C-N 3.33Å; P182-V184 PolarHBondContact O-N 3.27Å; P182-G185 PolarHBondContact O-N 3.38Å
183E79Confident87.4Confident179 Ų17933.9 Ų33.984%0.83617%0.17SC*.THydrogen-bonded Turntrans-65.4-32.9177.8-58-63.6155.700113.1N181N181-E183 PolarHBondContact O-N 3.01Å
184V75.7Confident87.2Confident45 Ų4533.9 Ų33.927%0.27317%0.17SC..THydrogen-bonded Turntrans-87.5-30.7173.3171.60000110.8N181 P182N181-V184 WeakPolarHBondContact ND2-CG2 3.26Å; N181-V184 PolarHBondContact O-N 2.65Å; P182-V184 VanDerWaalsContact C-N 3.33Å; P182-V184 PolarHBondContact O-N 3.27Å
185G77.8Confident87.1Confident8 Ų833.9 Ų33.98%0.08217%0.17CC..  trans57.7-149.2-177.400000112.3N181 P182N181-G185 PolarHBondContact O-N 3.1Å; P182-G185 PolarHBondContact O-N 3.38Å
186Y82.4Confident86.8Confident8 Ų834.2 Ų34.23%0.03117%0.172CC..  trans-101.9121.8-179.8176.4-102.6000113.5H141 R144 I145 D148 L174 L190H141-Y186 HydrophobicContact CB-CD1 4.33Å; H141-Y186 HydrophobicContact CB-CG 4.4Å; R144-Y186 HydrophobicContact CB-CD1 4.49Å; R144-Y186 HydrophobicContact CB-CE1 4.42Å; R144-Y186 HydrophobicContact CG-CD1 4.26Å; R144-Y186 HydrophobicContact CG-CE1 3.98Å; I145-Y186 HydrophobicContact CD1-CD2 4.21Å; I145-Y186 HydrophobicContact CD1-CG 4.16Å; I145-Y186 HydrophobicContact CG1-CD1 3.68Å; I145-Y186 HydrophobicContact CG1-CD2 3.73Å; I145-Y186 HydrophobicContact CG1-CE1 3.86Å; I145-Y186 HydrophobicContact CG1-CE2 3.91Å; I145-Y186 HydrophobicContact CG1-CG 3.61Å; D148-Y186 WeakPolarHBondContact CB-OH 3.26Å; D148-Y186 VanDerWaalsContact OD2-CE1 3.24Å; D148-Y186 WeakPolarHBondContact OD2-CE1 3.34Å; D148-Y186 PolarHBondContact OD2-OH 2.77Å; L174-Y186 HydrophobicContact CB-CE2 4.4Å; L174-Y186 HydrophobicContact CD1-CE2 4.1Å; L174-Y186 HydrophobicContact CD2-CE2 4.07Å; L174-Y186 HydrophobicContact CG-CE2 4.4Å; Y186-L190 HydrophobicContact CD2-CD1 4.17Å; Y186-L190 HydrophobicContact CE2-CB 4.3Å
187C82.5Confident86.7Confident41 Ų4134.3 Ų34.328%0.27717%0.172SC..  trans-109.1136.6167.5-1770000111.1D189 L190C187-D189 PolarHBondContact O-N 2.87Å; C187-L190 HydrophobicContact CB-CD1 4.43Å; C187-L190 HydrophobicContact CB-CG 4.29Å; C187-L190 VanDerWaalsContact O-CB 3.24Å; C187-L190 WeakPolarHBondContact O-CB 3.17Å; C187-L190 VanDerWaalsContact O-CG 3.29Å; C187-L190 WeakPolarHBondContact O-CG 3.16Å; C187-L190 PolarHBondContact O-N 2.91Å
188R82.1Confident86.8Confident111 Ų11134 Ų3442%0.41917%0.171SC..THydrogen-bonded Turntrans-47.7-36.3178.3174177.970.2-166-1.6114.1D148 L190 S191D148-R188 WeakPolarHBondContact OD1-CG 3.24Å; D148-R188 WeakPolarHBondContact OD2-CA 3.09Å; D148-R188 WeakPolarHBondContact OD2-CB 3.46Å; D148-R188 WeakPolarHBondContact OD2-CG 3.27Å; R188-L190 PolarHBondContact O-N 3.38Å; R188-S191 PolarHBondContact O-N 3.32Å
189D79.9Confident86.8Confident15 Ų1534 Ų348%0.0817%0.171CC..Hα-helixtrans-64.7-27.6-176.7-69.5-1.9000111.4C187 S191 H192 I270C187-D189 PolarHBondContact O-N 2.87Å; D189-S191 VanDerWaalsContact C-N 3.34Å; D189-S191 PolarHBondContact O-N 3.36Å; D189-H192 PolarHBondContact O-N 2.7Å; D189-I270 HydrophobicContact CB-CB 4.23Å; D189-I270 HydrophobicContact CB-CD1 4.03Å; D189-I270 HydrophobicContact CB-CG2 3.61Å; D189-I270 WeakPolarHBondContact O-CG2 3.15Å
190L87.5Confident86.8Confident6 Ų633.5 Ų33.53%0.03117%0.168CC..Hα-helixtrans-61-38.8178.4-61.6174.6000112.9L174 Y177 Y186 C187 R188 H192 I193 A194 L210 L214L174-L190 HydrophobicContact CD2-CB 3.85Å; Y177-L190 HydrophobicContact CD1-CD1 3.69Å; Y177-L190 HydrophobicContact CE1-CD1 3.74Å; Y177-L190 HydrophobicContact CE1-CD2 4.44Å; Y186-L190 HydrophobicContact CD2-CD1 4.17Å; Y186-L190 HydrophobicContact CE2-CB 4.3Å; C187-L190 HydrophobicContact CB-CD1 4.43Å; C187-L190 HydrophobicContact CB-CG 4.29Å; C187-L190 VanDerWaalsContact O-CB 3.24Å; C187-L190 WeakPolarHBondContact O-CB 3.17Å; C187-L190 VanDerWaalsContact O-CG 3.29Å; C187-L190 WeakPolarHBondContact O-CG 3.16Å; C187-L190 PolarHBondContact O-N 2.91Å; R188-L190 PolarHBondContact O-N 3.38Å; L190-H192 PolarHBondContact O-N 2.95Å; L190-I193 HydrophobicContact CD2-CD1 4.46Å; L190-I193 PolarHBondContact O-N 3.27Å; L190-I193 VanDerWaalsContact O-N 3.15Å; L190-A194 WeakPolarHBondContact O-CB 3.37Å; L190-A194 PolarHBondContact O-N 3.05Å; L190-L210 HydrophobicContact CD2-CD1 4.29Å; L190-L214 HydrophobicContact CD2-CD1 3.52Å
191S90Very high86.9Confident0 Ų031.2 Ų31.20%016%0.159CC..Hα-helixtrans-57-40-177.8-170.40000111.9T152 L170 R188 D189 A195T152-S191 PolarHBondContact OG1-OG 2.93Å; L170-S191 WeakPolarHBondContact CD1-O 3.35Å; R188-S191 PolarHBondContact O-N 3.32Å; D189-S191 VanDerWaalsContact C-N 3.34Å; D189-S191 PolarHBondContact O-N 3.36Å; S191-A195 WeakPolarHBondContact O-CB 3.27Å; S191-A195 PolarHBondContact O-N 3.11Å
192H87.4Confident87.4Confident33 Ų3332.4 Ų32.415%0.15317%0.168CC..Hα-helixtrans-76.5-31.5-179.5-67.888.9000113.5T152 D189 L190 L196 I270 I274T152-H192 PolarHBondContact OG1-CE1 3.2Å; T152-H192 PolarHBondContact OG1-NE2 3.11Å; D189-H192 PolarHBondContact O-N 2.7Å; L190-H192 PolarHBondContact O-N 2.95Å; H192-L196 WeakPolarHBondContact O-CB 3.48Å; H192-L196 PolarHBondContact O-N 3Å; H192-I270 HydrophobicContact CB-CG2 4.5Å; H192-I274 HydrophobicContact CB-CD1 3.92Å; H192-I274 HydrophobicContact CB-CG1 3.71Å; H192-I274 VanDerWaalsContact CG-CG1 3.42Å; H192-I274 WeakPolarHBondContact ND1-CD1 3.36Å
193I88.9Confident88Confident3 Ų329.8 Ų29.82%0.01515%0.148CC..Hα-helixtrans-67.4-51.8172.4-52.4170.5000109.8L190 A195 L196 F197 L210 L213 I270 W286L190-I193 HydrophobicContact CD2-CD1 4.46Å; L190-I193 PolarHBondContact O-N 3.27Å; L190-I193 VanDerWaalsContact O-N 3.15Å; I193-A195 VanDerWaalsContact C-N 3.31Å; I193-A195 PolarHBondContact O-N 3.44Å; I193-L196 WeakPolarHBondContact O-CB 3.41Å; I193-L196 PolarHBondContact O-N 2.94Å; I193-L196 VanDerWaalsContact O-N 3.11Å; I193-F197 HydrophobicContact CG2-CD2 3.9Å; I193-F197 HydrophobicContact CG2-CE2 3.5Å; I193-F197 VanDerWaalsContact CG2-CE2 3.5Å; I193-F197 HydrophobicContact CG2-CZ 4.23Å; I193-F197 PolarHBondContact O-N 3.14Å; I193-L210 HydrophobicContact CB-CD1 3.91Å; I193-L210 HydrophobicContact CD1-CD1 4.2Å; I193-L210 HydrophobicContact CG2-CD1 3.69Å; I193-L213 HydrophobicContact CD1-CD2 4.47Å; I193-L213 HydrophobicContact CG2-CD2 3.8Å; I193-I270 HydrophobicContact CD1-CD1 3.41Å; I193-I270 VanDerWaalsContact CD1-CD1 3.41Å; I193-I270 HydrophobicContact CD1-CG1 3.93Å; I193-I270 HydrophobicContact CG1-CD1 3.86Å; I193-I270 HydrophobicContact CG1-CG1 3.8Å; I193-I270 HydrophobicContact CG1-CG2 4.49Å; I193-W286 HydrophobicContact CG1-CH2 4.48Å; I193-W286 HydrophobicContact CG2-CH2 3.96Å; I193-W286 HydrophobicContact CG2-CZ2 4.46Å
194A92.9Very high88.9Confident0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-58.9-44.6-179.100000110.8L170 I173 L174 L190 L196 F197 L198 L210L170-A194 HydrophobicContact CD1-CB 3.44Å; L170-A194 VanDerWaalsContact CD1-CB 3.44Å; I173-A194 HydrophobicContact CG2-CB 3.91Å; L174-A194 HydrophobicContact CD2-CB 4.07Å; L190-A194 WeakPolarHBondContact O-CB 3.37Å; L190-A194 PolarHBondContact O-N 3.05Å; A194-L196 VanDerWaalsContact C-N 3.3Å; A194-L196 PolarHBondContact O-N 2.94Å; A194-F197 PolarHBondContact O-N 2.18Å; A194-L198 VanDerWaalsContact O-CB 3.27Å; A194-L198 WeakPolarHBondContact O-CB 3.35Å; A194-L198 PolarHBondContact O-N 3.35Å; A194-L210 HydrophobicContact CB-CD2 4.28Å
195A92.7Very high89.8Confident0 Ų022.4 Ų22.40%011%0.111CC..Hα-helixtrans-61.3-36.2176.700000112.9T152 L153 F159 L170 S191 I193 L198 L199T152-A195 HydrophobicContact CG2-CB 3.38Å; L153-A195 HydrophobicContact CD1-CB 3.77Å; L153-A195 HydrophobicContact CG-CB 4.29Å; F159-A195 HydrophobicContact CE1-CB 4.02Å; F159-A195 HydrophobicContact CE2-CB 4.04Å; F159-A195 HydrophobicContact CZ-CB 3.63Å; F159-A195 WeakPolarHBondContact CZ-O 3.28Å; L170-A195 HydrophobicContact CD1-CB 4.06Å; L170-A195 HydrophobicContact CD2-CB 3.83Å; S191-A195 WeakPolarHBondContact O-CB 3.27Å; S191-A195 PolarHBondContact O-N 3.11Å; I193-A195 VanDerWaalsContact C-N 3.31Å; I193-A195 PolarHBondContact O-N 3.44Å; A195-L198 PolarHBondContact O-N 3.34Å; A195-L199 PolarHBondContact O-N 3.4Å
196L91.2Very high90.7Very high7 Ų722 Ų224%0.03711%0.107CC..Hα-helixtrans-68.8-43176.6-168.880.5000112.3W111 H192 I193 A194 L198 L199 L279 T282 L283 W286W111-L196 HydrophobicContact CH2-CD2 4.27Å; W111-L196 HydrophobicContact CH2-CG 4.29Å; H192-L196 WeakPolarHBondContact O-CB 3.48Å; H192-L196 PolarHBondContact O-N 3Å; I193-L196 WeakPolarHBondContact O-CB 3.41Å; I193-L196 PolarHBondContact O-N 2.94Å; I193-L196 VanDerWaalsContact O-N 3.11Å; A194-L196 VanDerWaalsContact C-N 3.3Å; A194-L196 PolarHBondContact O-N 2.94Å; L196-L198 VanDerWaalsContact C-N 3.29Å; L196-L198 PolarHBondContact O-N 2.87Å; L196-L199 HydrophobicContact CD1-CD1 4.24Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 3.25Å; L196-L279 HydrophobicContact CD1-CD1 3.84Å; L196-T282 HydrophobicContact CD1-CG2 3.99Å; L196-L283 HydrophobicContact CD1-CD2 3.67Å; L196-L283 HydrophobicContact CD1-CG 4.45Å; L196-L283 HydrophobicContact CD2-CD2 4.46Å; L196-L283 HydrophobicContact CG-CD2 4.14Å; L196-W286 HydrophobicContact CD2-CD2 3.88Å; L196-W286 HydrophobicContact CD2-CG 3.66Å; L196-W286 HydrophobicContact CD2-CZ2 4.36Å
197F93.6Very high91.4Very high1 Ų121.7 Ų21.70%0.00411%0.106CC..Hα-helixtrans-61.2-41.6173.3-73.1-42.7000111W111 L115 I193 A194 L199 Y200 L201 A206 A209 L210 L213 W286W111-F197 AromaticContact CE3-CD1 3.74Å; W111-F197 HydrophobicContact CE3-CD1 3.74Å; W111-F197 HydrophobicContact CE3-CE1 4.16Å; W111-F197 AromaticContact CZ3-CD1 3.9Å; W111-F197 HydrophobicContact CZ3-CD1 3.9Å; W111-F197 HydrophobicContact CZ3-CE1 4.45Å; L115-F197 HydrophobicContact CD1-CE1 3.77Å; L115-F197 HydrophobicContact CD1-CZ 3.73Å; I193-F197 HydrophobicContact CG2-CD2 3.9Å; I193-F197 HydrophobicContact CG2-CE2 3.5Å; I193-F197 VanDerWaalsContact CG2-CE2 3.5Å; I193-F197 HydrophobicContact CG2-CZ 4.23Å; I193-F197 PolarHBondContact O-N 3.14Å; A194-F197 PolarHBondContact O-N 2.18Å; F197-L199 PolarHBondContact O-N 3.46Å; F197-L199 VanDerWaalsContact O-N 3.13Å; F197-Y200 PolarHBondContact O-N 2.86Å; F197-L201 HydrophobicContact CB-CD1 4.26Å; F197-L201 HydrophobicContact CD1-CD1 4.33Å; F197-L201 WeakPolarHBondContact O-CB 3.4Å; F197-L201 PolarHBondContact O-N 3.46Å; F197-A206 HydrophobicContact CB-CB 3.9Å; F197-A209 HydrophobicContact CD1-CB 4.09Å; F197-A209 HydrophobicContact CD2-CB 3.82Å; F197-A209 HydrophobicContact CE1-CB 4.2Å; F197-A209 HydrophobicContact CE2-CB 3.93Å; F197-A209 HydrophobicContact CG-CB 3.92Å; F197-A209 HydrophobicContact CZ-CB 4.13Å; F197-L210 HydrophobicContact CD2-CB 4.45Å; F197-L213 HydrophobicContact CE2-CD2 4.21Å; F197-L213 HydrophobicContact CZ-CB 4.47Å; F197-L213 HydrophobicContact CZ-CD2 4.13Å; F197-W286 HydrophobicContact CZ-CZ3 4.42Å
198L94.4Very high92Very high1 Ų119.7 Ų19.71%0.0059%0.093CC..THydrogen-bonded Turntrans-66.9-11.5-178.9-16162.9000115.1F159 K166 E169 L170 I173 A194 A195 L196 Y200 A206F159-L198 HydrophobicContact CE1-CD2 4.23Å; F159-L198 HydrophobicContact CZ-CB 4.34Å; F159-L198 HydrophobicContact CZ-CD2 4.1Å; K166-L198 HydrophobicContact CD-CD2 4.07Å; K166-L198 HydrophobicContact CD-CG 3.83Å; K166-L198 PolarHBondContact NZ-O 2.87Å; K166-L198 VanDerWaalsContact NZ-O 3.08Å; K166-L198 WeakPolarHBondContact O-CD2 3.41Å; E169-L198 HydrophobicContact CB-CD1 4.17Å; E169-L198 HydrophobicContact CB-CD2 3.66Å; E169-L198 HydrophobicContact CB-CG 4.42Å; E169-L198 VanDerWaalsContact OE2-CD1 3.22Å; E169-L198 WeakPolarHBondContact OE2-CD1 3.46Å; L170-L198 HydrophobicContact CB-CD2 4.03Å; I173-L198 HydrophobicContact CD1-CD1 3.79Å; I173-L198 HydrophobicContact CD1-CD2 4.28Å; I173-L198 HydrophobicContact CD1-CG 4.49Å; A194-L198 VanDerWaalsContact O-CB 3.27Å; A194-L198 WeakPolarHBondContact O-CB 3.35Å; A194-L198 PolarHBondContact O-N 3.35Å; A195-L198 PolarHBondContact O-N 3.34Å; L196-L198 VanDerWaalsContact C-N 3.29Å; L196-L198 PolarHBondContact O-N 2.87Å; L198-Y200 VanDerWaalsContact C-N 3.32Å; L198-A206 HydrophobicContact CD1-CB 4.07Å
199L91.8Very high92.5Very high20 Ų2014.4 Ų14.411%0.1057%0.073CC..THydrogen-bonded Turntrans-71.3-25.2167.6-65.6-177.2000113L153 H156 F158 F159 A195 L196 F197 L279L153-L199 HydrophobicContact CD1-CD1 4.33Å; H156-L199 WeakPolarHBondContact CE1-CD2 3.32Å; F158-L199 HydrophobicContact CD2-CD2 3.98Å; F159-L199 HydrophobicContact CD2-CD2 4.28Å; F159-L199 HydrophobicContact CE2-CD2 3.67Å; F159-L199 HydrophobicContact CE2-CG 4.34Å; A195-L199 PolarHBondContact O-N 3.4Å; L196-L199 HydrophobicContact CD1-CD1 4.24Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 3.25Å; F197-L199 PolarHBondContact O-N 3.46Å; F197-L199 VanDerWaalsContact O-N 3.13Å; L199-L279 HydrophobicContact CD1-CD1 4.34Å; L199-L279 HydrophobicContact CD1-CD2 4.22Å
200Y93.1Very high93.1Very high46 Ų4613.7 Ų13.718%0.187%0.069CC..THydrogen-bonded Turntrans-129-12.2-169.9-64.1-68.3000114.6M104 R107 G108 W111 F197 L198 L283M104-Y200 HydrophobicContact CG-CE1 3.55Å; M104-Y200 HydrophobicContact SD-CE1 4.46Å; R107-Y200 HydrophobicContact CB-CD1 3.88Å; R107-Y200 HydrophobicContact CB-CD2 4.42Å; R107-Y200 HydrophobicContact CB-CE1 4.43Å; R107-Y200 HydrophobicContact CB-CG 3.89Å; G108-Y200 WeakPolarHBondContact CA-O 3.43Å; W111-Y200 HydrophobicContact CE3-CD2 4.42Å; W111-Y200 AromaticContact CH2-CD2 3.78Å; W111-Y200 HydrophobicContact CH2-CD2 3.78Å; W111-Y200 HydrophobicContact CH2-CE2 4.27Å; W111-Y200 AromaticContact CZ3-CD2 3.65Å; W111-Y200 HydrophobicContact CZ3-CD2 3.65Å; W111-Y200 HydrophobicContact CZ3-CG 4.31Å; F197-Y200 PolarHBondContact O-N 2.86Å; L198-Y200 VanDerWaalsContact C-N 3.32Å; Y200-L283 HydrophobicContact CD2-CD2 4.24Å; Y200-L283 HydrophobicContact CE2-CD1 4.07Å; Y200-L283 HydrophobicContact CE2-CD2 3.45Å; Y200-L283 VanDerWaalsContact CE2-CD2 3.45Å; Y200-L283 HydrophobicContact CE2-CG 4.42Å; Y200-L283 VanDerWaalsContact OH-CD1 3.27Å; Y200-L283 WeakPolarHBondContact OH-CD1 3.16Å
201L94.2Very high93.3Very high8 Ų813.5 Ų13.54%0.0427%0.068CC..SBendtrans-125.5150.3-178.6-61.9177.8000110.4G108 S112 F197 D205 A206 A209G108-L201 WeakPolarHBondContact O-CD2 3.4Å; S112-L201 WeakPolarHBondContact OG-CD2 3.47Å; F197-L201 HydrophobicContact CB-CD1 4.26Å; F197-L201 HydrophobicContact CD1-CD1 4.33Å; F197-L201 WeakPolarHBondContact O-CB 3.4Å; F197-L201 PolarHBondContact O-N 3.46Å; L201-D205 HydrophobicContact CB-CB 4.22Å; L201-A206 HydrophobicContact CB-CB 4.08Å; L201-A209 HydrophobicContact CD1-CB 3.76Å
202P95Very high93.4Very high55 Ų5515.2 Ų15.236%0.3578%0.076SC..  trans-67.2165.1167.530.7-36000111.5E204 D205 A206P202-E204 PolarHBondContact O-N 3.28Å; P202-D205 HydrophobicContact CG-CB 3.84Å; P202-D205 VanDerWaalsContact CG-OD2 3.23Å; P202-D205 WeakPolarHBondContact CG-OD2 3.47Å; P202-D205 PolarHBondContact O-N 3.27Å; P202-A206 WeakPolarHBondContact O-CB 3.44Å; P202-A206 PolarHBondContact O-N 2.93Å
203E96.5Very high93.5Very high38 Ų3813.6 Ų13.618%0.1787%0.068CC..Hα-helixtrans-47.9-53.4-172.7-168.3-172.513200113.3Y128 K132 E169 H172 I173 A206 F207Y128-E203 HydrophobicContact CE1-CG 4.18Å; Y128-E203 WeakPolarHBondContact CE1-OE1 3.31Å; Y128-E203 WeakPolarHBondContact OH-CG 3.48Å; Y128-E203 PolarHBondContact OH-OE1 3.11Å; K132-E203 WeakPolarHBondContact CE-OE1 3.37Å; K132-E203 IonicContact NZ-OE1 3.21Å; K132-E203 PolarHBondContact NZ-OE1 2.98Å; K132-E203 IonicContact NZ-OE2 3.83Å; E169-E203 HydrophobicContact CB-CB 4.48Å; E169-E203 HydrophobicContact CB-CG 4.05Å; E169-E203 HydrophobicContact CG-CB 4.27Å; E169-E203 HydrophobicContact CG-CG 4.18Å; E169-E203 WeakPolarHBondContact CG-OE2 3.24Å; H172-E203 VanDerWaalsContact CB-OE1 3.31Å; H172-E203 WeakPolarHBondContact CB-OE1 3.47Å; H172-E203 IonicContact CG-OE1 2.69Å; H172-E203 IonicContact ND1-OE1 3.78Å; H172-E203 PolarHBondContact ND1-OE1 3.27Å; H172-E203 IonicContact ND1-OE2 2.67Å; H172-E203 PolarHBondContact ND1-OE2 3.46Å; I173-E203 HydrophobicContact CD1-CG 4.25Å; I173-E203 WeakPolarHBondContact CD1-O 3.35Å; I173-E203 HydrophobicContact CG1-CG 4.07Å; E203-A206 PolarHBondContact O-N 3.4Å; E203-F207 PolarHBondContact O-N 3.34Å; E203-F207 VanDerWaalsContact O-N 3.1Å
204E96.8Very high93.2Very high57 Ų5713.7 Ų13.727%0.2667%0.069SC..Hα-helixtrans-69.8-40.8-178.7179.2173.9-157.800113.2K121 Y128 P202 A206 F207 W208K121-E204 HydrophobicContact CD-CG 4.16Å; K121-E204 WeakPolarHBondContact CD-OE2 3.32Å; Y128-E204 HydrophobicContact CD1-CB 3.85Å; Y128-E204 HydrophobicContact CD1-CG 4Å; Y128-E204 HydrophobicContact CE1-CB 4.31Å; Y128-E204 HydrophobicContact CG-CB 4.3Å; Y128-E204 HydrophobicContact CG-CG 4.01Å; P202-E204 PolarHBondContact O-N 3.28Å; E204-A206 VanDerWaalsContact C-N 3.28Å; E204-A206 PolarHBondContact O-N 2.87Å; E204-F207 WeakPolarHBondContact O-CB 3.45Å; E204-F207 PolarHBondContact O-N 2.87Å; E204-W208 VanDerWaalsContact O-CD1 3.23Å; E204-W208 PolarHBondContact O-N 2.9Å; E204-W208 PolarHBondContact OE1-NE1 3.21Å
205D95.9Very high92.7Very high13 Ų1316.5 Ų16.57%0.079%0.092CC..Hα-helixtrans-68.4-32.3179.1-66.9-17.3000111K121 L201 P202 W208 A209K121-D205 IonicContact NZ-OD1 3.85Å; K121-D205 PolarHBondContact NZ-OD1 3.04Å; K121-D205 IonicContact NZ-OD2 2.85Å; L201-D205 HydrophobicContact CB-CB 4.22Å; P202-D205 HydrophobicContact CG-CB 3.84Å; P202-D205 VanDerWaalsContact CG-OD2 3.23Å; P202-D205 WeakPolarHBondContact CG-OD2 3.47Å; P202-D205 PolarHBondContact O-N 3.27Å; D205-W208 PolarHBondContact O-N 2.9Å; D205-A209 VanDerWaalsContact O-CB 3.25Å; D205-A209 WeakPolarHBondContact O-CB 3.25Å; D205-A209 PolarHBondContact O-N 3.48Å
206A96.1Very high91.7Very high0 Ų017.8 Ų17.80%010%0.101CC..Hα-helixtrans-66.9-37.2172.600000112.1I173 F197 L198 L201 P202 E203 E204 L210I173-A206 HydrophobicContact CD1-CB 3.86Å; F197-A206 HydrophobicContact CB-CB 3.9Å; L198-A206 HydrophobicContact CD1-CB 4.07Å; L201-A206 HydrophobicContact CB-CB 4.08Å; P202-A206 WeakPolarHBondContact O-CB 3.44Å; P202-A206 PolarHBondContact O-N 2.93Å; E203-A206 PolarHBondContact O-N 3.4Å; E204-A206 VanDerWaalsContact C-N 3.28Å; E204-A206 PolarHBondContact O-N 2.87Å; A206-L210 PolarHBondContact O-N 3.09Å
207F96.2Very high90.5Very high0 Ų023.6 Ų23.60%013%0.128CC..Hα-helixtrans-62-50.5170.2169-94.4000111.7Y128 M131 I173 A176 Y180 E203 E204 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 3.87Å; Y128-F207 HydrophobicContact CD2-CD2 3.87Å; Y128-F207 HydrophobicContact CD2-CE1 4.07Å; Y128-F207 HydrophobicContact CD2-CE2 4.4Å; Y128-F207 AromaticContact CD2-CG 3.39Å; Y128-F207 HydrophobicContact CD2-CG 3.39Å; Y128-F207 HydrophobicContact CE2-CB 3.62Å; Y128-F207 HydrophobicContact CE2-CD1 4.19Å; Y128-F207 AromaticContact CE2-CD2 3.84Å; Y128-F207 HydrophobicContact CE2-CD2 3.84Å; Y128-F207 AromaticContact CE2-CG 3.59Å; Y128-F207 HydrophobicContact CE2-CG 3.59Å; Y128-F207 HydrophobicContact CG-CD1 4.29Å; Y128-F207 HydrophobicContact CG-CG 4.48Å; M131-F207 HydrophobicContact CE-CE1 3.6Å; M131-F207 HydrophobicContact CE-CE2 4.26Å; M131-F207 HydrophobicContact CE-CZ 3.3Å; I173-F207 HydrophobicContact CG1-CB 4.25Å; I173-F207 HydrophobicContact CG2-CB 4.18Å; I173-F207 HydrophobicContact CG2-CD2 4.36Å; A176-F207 HydrophobicContact CB-CD2 3.99Å; A176-F207 HydrophobicContact CB-CE2 3.84Å; Y180-F207 HydrophobicContact CD2-CZ 4.12Å; Y180-F207 HydrophobicContact CG-CZ 4.15Å; E203-F207 PolarHBondContact O-N 3.34Å; E203-F207 VanDerWaalsContact O-N 3.1Å; E204-F207 WeakPolarHBondContact O-CB 3.45Å; E204-F207 PolarHBondContact O-N 2.87Å; F207-A209 VanDerWaalsContact C-N 3.29Å; F207-A209 PolarHBondContact O-N 3.19Å; F207-L210 WeakPolarHBondContact O-CB 3.31Å; F207-L210 PolarHBondContact O-N 3.28Å; F207-L210 VanDerWaalsContact O-N 3.14Å; F207-V211 HydrophobicContact CD1-CG2 4.4Å; F207-V211 HydrophobicContact CD2-CG2 4.49Å; F207-V211 HydrophobicContact CE1-CG2 3.83Å; F207-V211 HydrophobicContact CE2-CG2 3.93Å; F207-V211 HydrophobicContact CZ-CG2 3.54Å; F207-V211 PolarHBondContact O-N 2.97Å
208W95.5Very high89.2Confident0 Ų030.2 Ų30.20%015%0.153CC..Hα-helixtrans-65-33.2178.7-70.2118.9000112.6T117 M120 N124 Y180 E204 D205 V211 Q212T117-W208 HydrophobicContact CG2-CB 4.3Å; M120-W208 HydrophobicContact CB-CB 4.29Å; M120-W208 HydrophobicContact CB-CD2 3.93Å; M120-W208 HydrophobicContact CB-CE3 3.74Å; M120-W208 HydrophobicContact CB-CG 4.17Å; M120-W208 HydrophobicContact CB-CZ3 4.43Å; M120-W208 HydrophobicContact CE-CE3 4.04Å; M120-W208 HydrophobicContact CE-CZ3 3.89Å; N124-W208 HydrophobicContact CB-CH2 3.38Å; N124-W208 HydrophobicContact CB-CZ2 3.46Å; N124-W208 VanDerWaalsContact CB-CZ2 3.46Å; N124-W208 HydrophobicContact CB-CZ3 4.4Å; Y180-W208 HydrophobicContact CE2-CZ3 4.17Å; E204-W208 VanDerWaalsContact O-CD1 3.23Å; E204-W208 PolarHBondContact O-N 2.9Å; E204-W208 PolarHBondContact OE1-NE1 3.21Å; D205-W208 PolarHBondContact O-N 2.9Å; W208-V211 HydrophobicContact CE3-CB 4.32Å; W208-V211 HydrophobicContact CE3-CG1 4.34Å; W208-V211 HydrophobicContact CE3-CG2 4.48Å; W208-V211 HydrophobicContact CZ3-CG1 4.42Å; W208-V211 PolarHBondContact O-N 2.91Å; W208-Q212 VanDerWaalsContact O-CB 3.29Å; W208-Q212 WeakPolarHBondContact O-CB 3.24Å; W208-Q212 WeakPolarHBondContact O-CG 3.18Å; W208-Q212 PolarHBondContact O-N 3.42Å
209A94Very high88Confident0 Ų030.6 Ų30.60%016%0.155CC..Hα-helixtrans-61.4-44171.700000112L115 T117 F197 L201 D205 F207 L213L115-A209 HydrophobicContact CD1-CB 3.64Å; T117-A209 HydrophobicContact CG2-CB 3.87Å; F197-A209 HydrophobicContact CD1-CB 4.09Å; F197-A209 HydrophobicContact CD2-CB 3.82Å; F197-A209 HydrophobicContact CE1-CB 4.2Å; F197-A209 HydrophobicContact CE2-CB 3.93Å; F197-A209 HydrophobicContact CG-CB 3.92Å; F197-A209 HydrophobicContact CZ-CB 4.13Å; L201-A209 HydrophobicContact CD1-CB 3.76Å; D205-A209 VanDerWaalsContact O-CB 3.25Å; D205-A209 WeakPolarHBondContact O-CB 3.25Å; D205-A209 PolarHBondContact O-N 3.48Å; F207-A209 VanDerWaalsContact C-N 3.29Å; F207-A209 PolarHBondContact O-N 3.19Å; A209-L213 VanDerWaalsContact O-CB 3.32Å; A209-L213 WeakPolarHBondContact O-CB 3.36Å; A209-L213 PolarHBondContact O-N 3.29Å
210L92.2Very high86.4Confident0 Ų030.3 Ų30.30%015%0.154CC..Hα-helixtrans-63.1-47.8176-176.969000111.9I173 Y177 L190 I193 A194 F197 A206 F207 Q212 L213 L214I173-L210 HydrophobicContact CG2-CD2 4.12Å; Y177-L210 HydrophobicContact CD2-CD2 3.81Å; Y177-L210 HydrophobicContact CD2-CG 4.15Å; Y177-L210 HydrophobicContact CE2-CD2 4.47Å; Y177-L210 HydrophobicContact CE2-CG 4.39Å; Y177-L210 HydrophobicContact CG-CD2 4.06Å; L190-L210 HydrophobicContact CD2-CD1 4.29Å; I193-L210 HydrophobicContact CB-CD1 3.91Å; I193-L210 HydrophobicContact CD1-CD1 4.2Å; I193-L210 HydrophobicContact CG2-CD1 3.69Å; A194-L210 HydrophobicContact CB-CD2 4.28Å; F197-L210 HydrophobicContact CD2-CB 4.45Å; A206-L210 PolarHBondContact O-N 3.09Å; F207-L210 WeakPolarHBondContact O-CB 3.31Å; F207-L210 PolarHBondContact O-N 3.28Å; F207-L210 VanDerWaalsContact O-N 3.14Å; L210-Q212 PolarHBondContact O-N 3.36Å; L210-L213 PolarHBondContact O-N 3.41Å; L210-L214 HydrophobicContact CD1-CD1 3.88Å; L210-L214 HydrophobicContact CG-CD1 4.02Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 2.97Å
211V91.8Very high84.2Confident2 Ų228.6 Ų28.61%0.01215%0.148CC..Hα-helixtrans-57.2-49.7176.5168.30000110.9M120 Y177 Y180 F207 W208 L213 L214 A215M120-V211 HydrophobicContact CE-CG1 4.4Å; Y177-V211 HydrophobicContact CD2-CG2 4.17Å; Y177-V211 HydrophobicContact CE2-CG2 4.34Å; Y180-V211 HydrophobicContact CD1-CG1 4.27Å; Y180-V211 HydrophobicContact CD1-CG2 3.96Å; Y180-V211 HydrophobicContact CE1-CB 4.42Å; Y180-V211 HydrophobicContact CE1-CG1 3.52Å; Y180-V211 HydrophobicContact CE1-CG2 4.06Å; Y180-V211 HydrophobicContact CE2-CG1 4.27Å; Y180-V211 HydrophobicContact CG-CG2 4.23Å; F207-V211 HydrophobicContact CD1-CG2 4.4Å; F207-V211 HydrophobicContact CD2-CG2 4.49Å; F207-V211 HydrophobicContact CE1-CG2 3.83Å; F207-V211 HydrophobicContact CE2-CG2 3.93Å; F207-V211 HydrophobicContact CZ-CG2 3.54Å; F207-V211 PolarHBondContact O-N 2.97Å; W208-V211 HydrophobicContact CE3-CB 4.32Å; W208-V211 HydrophobicContact CE3-CG1 4.34Å; W208-V211 HydrophobicContact CE3-CG2 4.48Å; W208-V211 HydrophobicContact CZ3-CG1 4.42Å; W208-V211 PolarHBondContact O-N 2.91Å; V211-L213 PolarHBondContact O-N 3.36Å; V211-L214 PolarHBondContact O-N 3.28Å; V211-A215 VanDerWaalsContact O-CB 3.27Å; V211-A215 WeakPolarHBondContact O-CB 3.42Å; V211-A215 PolarHBondContact O-N 3.26Å
212Q91.4Very high81.6Confident35 Ų3535.4 Ų35.416%0.16418%0.18CC..Hα-helixtrans-66.2-38.4-177.8-74.4-78.490.500112.6L115 M120 W208 L210 L214 S216L115-Q212 HydrophobicContact CB-CB 4.21Å; L115-Q212 HydrophobicContact CD2-CB 4.39Å; L115-Q212 WeakPolarHBondContact O-CB 3.27Å; L115-Q212 WeakPolarHBondContact O-CG 3.48Å; L115-Q212 PolarHBondContact O-NE2 3.21Å; M120-Q212 HydrophobicContact CG-CG 3.56Å; W208-Q212 VanDerWaalsContact O-CB 3.29Å; W208-Q212 WeakPolarHBondContact O-CB 3.24Å; W208-Q212 WeakPolarHBondContact O-CG 3.18Å; W208-Q212 PolarHBondContact O-N 3.42Å; L210-Q212 PolarHBondContact O-N 3.36Å; Q212-L214 VanDerWaalsContact C-N 3.28Å; Q212-L214 PolarHBondContact O-N 2.86Å; Q212-S216 WeakPolarHBondContact O-CB 3.48Å; Q212-S216 PolarHBondContact O-N 2.81Å
213L88.5Confident78.8Confident0 Ų033.9 Ų33.90%017%0.174CC..Hα-helixtrans-59.8-40.1175.9-173.375.5000112.2L115 I193 F197 A209 L210 V211 H219 W286 Y289 L290L115-L213 HydrophobicContact CD2-CB 4.41Å; L115-L213 HydrophobicContact CD2-CD1 4.33Å; I193-L213 HydrophobicContact CD1-CD2 4.47Å; I193-L213 HydrophobicContact CG2-CD2 3.8Å; F197-L213 HydrophobicContact CE2-CD2 4.21Å; F197-L213 HydrophobicContact CZ-CB 4.47Å; F197-L213 HydrophobicContact CZ-CD2 4.13Å; A209-L213 VanDerWaalsContact O-CB 3.32Å; A209-L213 WeakPolarHBondContact O-CB 3.36Å; A209-L213 PolarHBondContact O-N 3.29Å; L210-L213 PolarHBondContact O-N 3.41Å; V211-L213 PolarHBondContact O-N 3.36Å; L213-H219 HydrophobicContact CD1-CB 4.07Å; L213-W286 HydrophobicContact CD1-CZ3 3.96Å; L213-W286 HydrophobicContact CD2-CH2 3.65Å; L213-W286 HydrophobicContact CD2-CZ3 3.58Å; L213-W286 HydrophobicContact CG-CZ3 4.44Å; L213-Y289 HydrophobicContact CD1-CE1 3.9Å; L213-L290 HydrophobicContact CD1-CD2 3.86Å
214L84.1Confident76Confident4 Ų434.5 Ų34.52%0.02118%0.176CC..Hα-helixtrans-87.3-24.8-173.9-63.4169.1000113.1Y177 L190 L210 V211 Q212 S220 H225 L266Y177-L214 HydrophobicContact CE1-CD1 4.42Å; Y177-L214 HydrophobicContact CE2-CD1 3.7Å; Y177-L214 WeakPolarHBondContact OH-CD1 2.91Å; L190-L214 HydrophobicContact CD2-CD1 3.52Å; L210-L214 HydrophobicContact CD1-CD1 3.88Å; L210-L214 HydrophobicContact CG-CD1 4.02Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 2.97Å; V211-L214 PolarHBondContact O-N 3.28Å; Q212-L214 VanDerWaalsContact C-N 3.28Å; Q212-L214 PolarHBondContact O-N 2.86Å; L214-S220 WeakPolarHBondContact O-CB 3.44Å; L214-S220 PolarHBondContact O-OG 3.08Å; L214-H225 PolarHBondContact O-NE2 2.9Å; L214-L266 HydrophobicContact CD2-CD2 3.95Å
215A81.3Confident73.2Confident60 Ų6036 Ų3650%0.49618%0.183SC..Hα-helixtrans-95.2-26.4179.100000114.6V211 E217V211-A215 VanDerWaalsContact O-CB 3.27Å; V211-A215 WeakPolarHBondContact O-CB 3.42Å; V211-A215 PolarHBondContact O-N 3.26Å; A215-E217 PolarHBondContact O-N 3.22Å
216S72Confident70.1Confident26 Ų2638 Ų3818%0.18220%0.198CC..  trans-69.3126-173.2172.10000112.9Q212 R218 H219 S220Q212-S216 WeakPolarHBondContact O-CB 3.48Å; Q212-S216 PolarHBondContact O-N 2.81Å; S216-R218 PolarHBondContact O-N 2.82Å; S216-R218 WeakPolarHBondContact OG-CB 3.3Å; S216-R218 PolarHBondContact OG-N 3.47Å; S216-R218 VanDerWaalsContact OG-N 3.14Å; S216-H219 PolarHBondContact O-N 3.43Å; S216-H219 PolarHBondContact OG-ND1 3.15Å; S216-S220 WeakPolarHBondContact O-CB 3.14Å; S216-S220 PolarHBondContact O-N 2.8Å
217E65.7Low67.2Low130 Ų13044.5 Ų44.561%0.60724%0.24SC*.THydrogen-bonded Turntrans-56.9-15.2170.2-65.8-172.9157.100113.4A215 R399A215-E217 PolarHBondContact O-N 3.22Å; E217-R399 IonicContact OE1-CZ 3.69Å; E217-R399 IonicContact OE1-NH1 2.81Å; E217-R399 PolarHBondContact OE1-NH1 3.14Å
218R66.6Low64.1Low140 Ų14051.1 Ų51.153%0.52828%0.276SS..THydrogen-bonded Turntrans-81.5-24.5176.3-62-174.4178.4176.73.4113.9S216 G293 E294S216-R218 PolarHBondContact O-N 2.82Å; S216-R218 WeakPolarHBondContact OG-CB 3.3Å; S216-R218 PolarHBondContact OG-N 3.47Å; S216-R218 VanDerWaalsContact OG-N 3.14Å; R218-G293 CarbonylContact O-C 3.52Å; R218-G293 WeakPolarHBondContact O-CA 3.33Å; R218-E294 PolarHBondContact O-N 2.86Å
219H70.2Confident61.1Low8 Ų853.5 Ų53.54%0.03730%0.3CS..THydrogen-bonded Turntrans-122.5-29-170.9-57.3102.5000112.1L114 L213 S216 Y289 L290L114-H219 PolarHBondContact O-CE1 2.87Å; L213-H219 HydrophobicContact CD1-CB 4.07Å; S216-H219 PolarHBondContact O-N 3.43Å; S216-H219 PolarHBondContact OG-ND1 3.15Å; H219-Y289 PolarHBondContact NE2-O 2.74Å; H219-Y289 PolarHBondContact O-OH 2.97Å; H219-L290 WeakPolarHBondContact NE2-CA 3.18Å; H219-L290 PolarHBondContact NE2-O 3.33Å
220S57.4Low58.1Low14 Ų1456.5 Ų56.510%0.09833%0.331CS..  trans-85.5122.6-176.7-1580000111.6L214 S216L214-S220 WeakPolarHBondContact O-CB 3.44Å; L214-S220 PolarHBondContact O-OG 3.08Å; S216-S220 WeakPolarHBondContact O-CB 3.14Å; S216-S220 PolarHBondContact O-N 2.8Å
221L47.9Very low55.4Low11 Ų1160.4 Ų60.46%0.05836%0.355CS..  trans-65.5138.5164.5-64.2137.3000109G223 F224 L235 P265 L266 E294 L297L221-G223 PolarHBondContact O-N 3.45Å; L221-F224 PolarHBondContact O-N 3.32Å; L221-L235 HydrophobicContact CD2-CD2 3.48Å; L221-L235 VanDerWaalsContact CD2-CD2 3.48Å; L221-P265 HydrophobicContact CD1-CB 4.1Å; L221-P265 HydrophobicContact CD1-CG 4.15Å; L221-P265 HydrophobicContact CD2-CG 4.21Å; L221-L266 HydrophobicContact CD1-CB 4.04Å; L221-E294 WeakPolarHBondContact CA-OE1 3.38Å; L221-E294 HydrophobicContact CD2-CG 4.19Å; L221-E294 WeakPolarHBondContact CD2-OE1 3.3Å; L221-E294 HydrophobicContact CG-CG 4.29Å; L221-L297 HydrophobicContact CD1-CD2 3.49Å; L221-L297 VanDerWaalsContact CD1-CD2 3.49Å; L221-L297 HydrophobicContact CD2-CD2 4.3Å; L221-L297 HydrophobicContact CG-CD2 3.95Å
222Q39Very low52.9Low151 Ų15162.2 Ų62.271%0.70637%0.366SS*.THydrogen-bonded Turntrans-58.7-5.2175.7-65.7-178-1.700114.8
223G36.9Very low50.2Low23 Ų2365.4 Ų65.424%0.23738%0.381CS..THydrogen-bonded Turntrans-95.2-3.2178.700000116.8L221 H225L221-G223 PolarHBondContact O-N 3.45Å; G223-H225 VanDerWaalsContact C-N 3.34Å
224F36.9Very low47.6Very low51 Ų5167.7 Ų67.722%0.22440%0.404CS..SBendtrans-79.4-16.3177.4-126.6-71.9000113.5L221 S264 L266L221-F224 PolarHBondContact O-N 3.32Å; F224-S264 WeakPolarHBondContact CE2-OG 3.41Å; F224-L266 HydrophobicContact CD2-CB 4.37Å; F224-L266 HydrophobicContact CD2-CD2 4.07Å; F224-L266 HydrophobicContact CE2-CB 3.95Å; F224-L266 HydrophobicContact CE2-CD2 3.8Å; F224-L266 HydrophobicContact CE2-CG 3.98Å
225H38.5Very low45.4Very low88 Ų8870.3 Ų70.341%0.40742%0.418SS..SBendtrans-125.923.8-169-61.5-71.6000114.1L214 G223L214-H225 PolarHBondContact O-NE2 2.9Å; G223-H225 VanDerWaalsContact C-N 3.34Å
226S29.7Very low43.4Very low56 Ų5669.8 Ų69.839%0.39241%0.405SS..  trans-115.7109.2178.3-74.40000112N228S226-N228 PolarHBondContact O-N 3.32Å
227P36Very low41.8Very low135 Ų13572.3 Ų72.388%0.87742%0.417SS*.SBendtrans-60.6-21.1167.5-2434.8000113.3
228N31Very low40.6Very low140 Ų14071.9 Ų71.975%0.74942%0.415SS*.SBendtrans-97.7105.9173.5-69.7-11.1000109.9S226 G230S226-N228 PolarHBondContact O-N 3.32Å; N228-G230 PolarHBondContact O-N 3.3Å
229G32.7Very low39.2Very low50 Ų5068 Ų6852%0.51540%0.403SS..THydrogen-bonded Turntrans-65.819.4-171.500000118.3T231G229-T231 PolarHBondContact O-N 2.65Å
230G30.8Very low37.7Very low62 Ų6273.4 Ų73.464%0.63943%0.428SS*.Hα-helixtrans-64.9-34.2-173.400000115.2N228N228-G230 PolarHBondContact O-N 3.3Å
231T35.6Very low37.1Very low82 Ų8279 Ų7950%0.50345%0.452SS..Hα-helixtrans-91-20.2-175.2-35.30000113.3G229 Q233G229-T231 PolarHBondContact O-N 2.65Å; T231-Q233 VanDerWaalsContact C-N 3.31Å
232V39.4Very low36.9Very low41 Ų4181 Ų8125%0.24847%0.465CS..Hα-helixtrans-69.4-34.7176.8-179.50000110.5G234 L235 Q236V232-G234 PolarHBondContact O-N 2.88Å; V232-L235 PolarHBondContact O-N 3.41Å; V232-Q236 WeakPolarHBondContact O-CB 3.36Å; V232-Q236 PolarHBondContact O-N 3.44Å
233Q33.9Very low36.9Very low101 Ų10175.2 Ų75.247%0.47244%0.44SS..Hα-helixtrans-53.4-54.2-179.5-161.263.657.900112.3T231 L235 Q236 D237T231-Q233 VanDerWaalsContact C-N 3.31Å; Q233-L235 PolarHBondContact O-N 2.94Å; Q233-L235 VanDerWaalsContact O-N 3.1Å; Q233-Q236 CarbonylContact O-C 3.57Å; Q233-Q236 WeakPolarHBondContact O-CB 3.47Å; Q233-Q236 PolarHBondContact O-N 3.46Å; Q233-D237 PolarHBondContact NE2-OD1 3.34Å; Q233-D237 WeakPolarHBondContact O-CB 3.45Å; Q233-D237 PolarHBondContact O-N 3.46Å
234G34.9Very low36.9Very low48 Ų4876.7 Ų76.750%0.49545%0.45SS..Hα-helixtrans-62.9-24.3-175.900000115.2V232 Q238V232-G234 PolarHBondContact O-N 2.88Å; G234-Q238 PolarHBondContact O-N 2.88Å
235L38Very low37.2Very low59 Ų5979.2 Ų79.231%0.30947%0.469SS..Hα-helixtrans-88.4-31176.5-149.670.4000112.1L221 V232 Q233 Q238 Q239 P265L221-L235 HydrophobicContact CD2-CD2 3.48Å; L221-L235 VanDerWaalsContact CD2-CD2 3.48Å; V232-L235 PolarHBondContact O-N 3.41Å; Q233-L235 PolarHBondContact O-N 2.94Å; Q233-L235 VanDerWaalsContact O-N 3.1Å; L235-Q238 PolarHBondContact O-N 3.41Å; L235-Q239 WeakPolarHBondContact O-CB 3.4Å; L235-Q239 PolarHBondContact O-N 2.8Å; L235-P265 HydrophobicContact CD2-CG 3.57Å; L235-P265 HydrophobicContact CG-CG 4.4Å
236Q38.6Very low37.1Very low49 Ų4977.3 Ų77.323%0.22947%0.466CS..Hα-helixtrans-67.8-43.5169.9-174.4159.6-8.100111.1V232 Q233 Q238 Q239 E240 G261V232-Q236 WeakPolarHBondContact O-CB 3.36Å; V232-Q236 PolarHBondContact O-N 3.44Å; Q233-Q236 CarbonylContact O-C 3.57Å; Q233-Q236 WeakPolarHBondContact O-CB 3.47Å; Q233-Q236 PolarHBondContact O-N 3.46Å; Q236-Q238 VanDerWaalsContact C-N 3.3Å; Q236-Q238 PolarHBondContact O-N 3.47Å; Q236-Q239 WeakPolarHBondContact O-CB 3.38Å; Q236-Q239 PolarHBondContact O-N 3.32Å; Q236-E240 PolarHBondContact O-N 2.81Å; Q236-G261 PolarHBondContact NE2-O 3.42Å; Q236-G261 PolarHBondContact OE1-O 3.44Å
237D37.1Very low37.4Very low79 Ų7978 Ų7842%0.42246%0.463SS..Hα-helixtrans-58.7-42.1172-58.7-18.5000110.5Q233 H241Q233-D237 PolarHBondContact NE2-OD1 3.34Å; Q233-D237 WeakPolarHBondContact O-CB 3.45Å; Q233-D237 PolarHBondContact O-N 3.46Å; D237-H241 WeakPolarHBondContact O-CB 3.22Å; D237-H241 PolarHBondContact O-N 3.45Å
238Q40.5Very low37.3Very low122 Ų12276.8 Ų76.857%0.5746%0.455SS*.Hα-helixtrans-63.9-41173.1-114-160.720.800112.7G234 L235 Q236 V242G234-Q238 PolarHBondContact O-N 2.88Å; L235-Q238 PolarHBondContact O-N 3.41Å; Q236-Q238 VanDerWaalsContact C-N 3.3Å; Q236-Q238 PolarHBondContact O-N 3.47Å; Q238-V242 VanDerWaalsContact O-CB 3.23Å; Q238-V242 WeakPolarHBondContact O-CB 3.38Å; Q238-V242 WeakPolarHBondContact O-CG2 3.42Å; Q238-V242 PolarHBondContact O-N 3.09Å
239Q37.5Very low37.5Very low58 Ų5879.9 Ų79.927%0.27146%0.462SS..Hα-helixtrans-65.4-48.3178.9-175.874.8-25.500110.8L235 Q236 V242 V243L235-Q239 WeakPolarHBondContact O-CB 3.4Å; L235-Q239 PolarHBondContact O-N 2.8Å; Q236-Q239 WeakPolarHBondContact O-CB 3.38Å; Q236-Q239 PolarHBondContact O-N 3.32Å; Q239-V242 PolarHBondContact O-N 2.92Å; Q239-V243 WeakPolarHBondContact O-CB 3.48Å; Q239-V243 WeakPolarHBondContact O-CG2 3.2Å; Q239-V243 PolarHBondContact O-N 3.14Å
240E40.2Very low37.8Very low121 Ų12181.3 Ų81.357%0.56546%0.461SS*.Hα-helixtrans-62.9-45.2176.7-70.3-172.9-170.500111.2Q236 V242 V243 A244Q236-E240 PolarHBondContact O-N 2.81Å; E240-V242 PolarHBondContact O-N 3.16Å; E240-V243 PolarHBondContact O-N 2.87Å; E240-A244 WeakPolarHBondContact O-CB 3.34Å; E240-A244 PolarHBondContact O-N 3.02Å
241H44.1Very low37.9Very low132 Ų13284.5 Ų84.561%0.61146%0.461SS*.Hα-helixtrans-66.6-36.9178.5-158.9-69.1000112.4D237 T245D237-H241 WeakPolarHBondContact O-CB 3.22Å; D237-H241 PolarHBondContact O-N 3.45Å; H241-T245 PolarHBondContact ND1-OG1 3.15Å; H241-T245 WeakPolarHBondContact O-CB 3.48Å; H241-T245 PolarHBondContact O-N 2.89Å; H241-T245 PolarHBondContact O-OG1 3.33Å
242V42.6Very low37.6Very low52 Ų5284 Ų8432%0.31547%0.472SS..Hα-helixtrans-72.8-34.4175.7169.50000112.2Q238 Q239 E240 S246Q238-V242 VanDerWaalsContact O-CB 3.23Å; Q238-V242 WeakPolarHBondContact O-CB 3.38Å; Q238-V242 WeakPolarHBondContact O-CG2 3.42Å; Q238-V242 PolarHBondContact O-N 3.09Å; Q239-V242 PolarHBondContact O-N 2.92Å; E240-V242 PolarHBondContact O-N 3.16Å; V242-S246 WeakPolarHBondContact O-CB 3.18Å; V242-S246 PolarHBondContact O-N 3.43Å; V242-S246 PolarHBondContact O-OG 3.44Å
243V40.4Very low37.5Very low31 Ų3191.3 Ų91.319%0.18850%0.503CS..Hα-helixtrans-70.6-49.6174.4171.70000110.3Q239 E240 T245 S246 Q247 M251Q239-V243 WeakPolarHBondContact O-CB 3.48Å; Q239-V243 WeakPolarHBondContact O-CG2 3.2Å; Q239-V243 PolarHBondContact O-N 3.14Å; E240-V243 PolarHBondContact O-N 2.87Å; V243-T245 PolarHBondContact O-N 3.11Å; V243-S246 PolarHBondContact O-N 2.93Å; V243-S246 VanDerWaalsContact O-N 3.08Å; V243-Q247 PolarHBondContact O-N 2.7Å; V243-M251 HydrophobicContact CG1-CE 3.58Å; V243-M251 HydrophobicContact CG1-SD 4.19Å
244A37.4Very low37.3Very low54 Ų5493.7 Ų93.745%0.44651%0.514SS..Hα-helixtrans-57.7-47.9176.400000112E240 S246E240-A244 WeakPolarHBondContact O-CB 3.34Å; E240-A244 PolarHBondContact O-N 3.02Å; A244-S246 PolarHBondContact O-N 3.16Å; A244-S246 VanDerWaalsContact O-N 3.15Å
245T41.4Very low36.9Very low103 Ų10397.2 Ų97.263%0.63252%0.522SS*.THydrogen-bonded Turntrans-65.9-16.5178.9-54.60000113H241 V243H241-T245 PolarHBondContact ND1-OG1 3.15Å; H241-T245 WeakPolarHBondContact O-CB 3.48Å; H241-T245 PolarHBondContact O-N 2.89Å; H241-T245 PolarHBondContact O-OG1 3.33Å; V243-T245 PolarHBondContact O-N 3.11Å
246S37.4Very low36.6Very low48 Ų48104.3 Ų104.334%0.33655%0.55SS.*THydrogen-bonded Turntrans-115.5-8.7-178.963.70000116.7V242 V243 A244 R302V242-S246 WeakPolarHBondContact O-CB 3.18Å; V242-S246 PolarHBondContact O-N 3.43Å; V242-S246 PolarHBondContact O-OG 3.44Å; V243-S246 PolarHBondContact O-N 2.93Å; V243-S246 VanDerWaalsContact O-N 3.08Å; A244-S246 PolarHBondContact O-N 3.16Å; A244-S246 VanDerWaalsContact O-N 3.15Å; S246-R302 PolarHBondContact OG-NH2 3.14Å
247Q35.4Very low36.1Very low72 Ų72111 Ų11134%0.33658%0.579SS.*  trans-149.354.6-177.2-67.3-69.7-81.300115V243 K249V243-Q247 PolarHBondContact O-N 2.7Å; Q247-K249 VanDerWaalsContact C-N 3.25Å; Q247-K249 PolarHBondContact O-N 2.76Å; Q247-K249 VanDerWaalsContact O-N 3.14Å
248P33.3Very low35.8Very low109 Ų109114 Ų11471%0.70860%0.595SS**THydrogen-bonded Turntrans-66.6-18-176.126.7-35.2000115.3
249K35.6Very low35.3Very low204 Ų204115.2 Ų115.289%0.88760%0.604SS**THydrogen-bonded Turntrans-98.74.2-172.1-69.7-173.5175.6-177.20115.5Q247Q247-K249 VanDerWaalsContact C-N 3.25Å; Q247-K249 PolarHBondContact O-N 2.76Å; Q247-K249 VanDerWaalsContact O-N 3.14Å
250T40.1Very low35Very low80 Ų80116.6 Ų116.649%0.49162%0.619SS.*SBendtrans-121.1-1.7-170.8-26.60000114
251M32.6Very low34.6Very low129 Ų129113 Ų11364%0.63562%0.615SS**  trans-98.4-2.3-165.6-139.8162.5-167.700114.9V243 H253V243-M251 HydrophobicContact CG1-CE 3.58Å; V243-M251 HydrophobicContact CG1-SD 4.19Å; M251-H253 PolarHBondContact O-N 2.81Å
252G29.3Very low34.2Very low73 Ų73114.4 Ų114.475%0.75362%0.621SS**SBendtrans-83.1-5.2-168.400000117.3
253H37Very low34.2Very low194 Ų194114.3 Ų114.390%0.89862%0.623SS**SBendtrans-146.828.8-163.7-99.123.6000114.7M251M251-H253 PolarHBondContact O-N 2.81Å
254Q28.9Very low34.8Very low150 Ų150113.8 Ų113.870%0.70162%0.621SS**SBendtrans-127.8128.5172.8-147.6156.420.800109.7K256Q254-K256 PolarHBondContact O-N 3.35Å
255D28.4Very low35.6Very low122 Ų122112 Ų11265%0.65261%0.605SS**  trans-57.4128.9-157.4-69.3-80.1000115.2K257D255-K257 PolarHBondContact O-N 2.82Å
256K30.6Very low36.5Very low209 Ų209107.1 Ų107.191%0.90958%0.575SS**THydrogen-bonded Turntrans-63.511.8173.1-87.2-175.8170.3-177.30114.5Q254Q254-K256 PolarHBondContact O-N 3.35Å
257K29.2Very low37.7Very low189 Ų189104.9 Ų104.982%0.82256%0.559SS**THydrogen-bonded Turntrans-111.7-18.1-166.9-71.8-172.8173.9-178.20116.3D255D255-K257 PolarHBondContact O-N 2.82Å
258D29.6Very low38.6Very low142 Ų142103 Ų10376%0.75955%0.553SS**SBendtrans-112.7-0.9179.1-69.9-48.8000114.8C260D258-C260 PolarHBondContact O-N 3.18Å
259L30.9Very low40Very low148 Ų14897.8 Ų97.878%0.77552%0.52SS*.  trans-88.381.1173-78.7144.7000109.9G261L259-G261 PolarHBondContact O-N 3.44Å
260C30.1Very low41.3Very low86 Ų8688.3 Ų88.358%0.58148%0.478SS*.  trans-58109.7166.6-177.70000109.2D258 Q262D258-C260 PolarHBondContact O-N 3.18Å; C260-Q262 PolarHBondContact O-N 3Å
261G31.2Very low42.2Very low46 Ų4688.5 Ų88.547%0.47447%0.47SS..THydrogen-bonded Turntrans-74.140.5-17300000114.8Q236 L259Q236-G261 PolarHBondContact NE2-O 3.42Å; Q236-G261 PolarHBondContact OE1-O 3.44Å; L259-G261 PolarHBondContact O-N 3.44Å
262Q36.9Very low43.4Very low161 Ų16182.6 Ų82.675%0.75244%0.441SS*.THydrogen-bonded Turntrans-139.711.9179.4-65.3-166.17800113.4C260 S264C260-Q262 PolarHBondContact O-N 3Å; Q262-S264 PolarHBondContact O-N 3.15Å
263C41.8Very low44.8Very low50 Ų5080.3 Ų80.334%0.33841%0.411SS..  trans-69.1105.4173.4-84.60000110.9R271C263-R271 PolarHBondContact SG-NH2 3.27Å; C263-R271 VanDerWaalsContact SG-NH2 3.44Å
264S53.5Low45.8Very low21 Ų2173.2 Ų73.215%0.14738%0.38CS..  trans-52.6155.4167.2690000111F224 Q262 L266 G267 C268F224-S264 WeakPolarHBondContact CE2-OG 3.41Å; Q262-S264 PolarHBondContact O-N 3.15Å; S264-L266 PolarHBondContact O-N 2.79Å; S264-L266 VanDerWaalsContact O-N 3.11Å; S264-G267 CarbonylContact O-C 3.49Å; S264-G267 WeakPolarHBondContact O-CA 3.23Å; S264-G267 PolarHBondContact O-N 3.31Å; S264-G267 PolarHBondContact OG-N 2.67Å; S264-G267 VanDerWaalsContact OG-N 3.09Å; S264-C268 PolarHBondContact O-N 3.15Å; S264-C268 PolarHBondContact O-SG 3.38Å
265P54.2Low47.3Very low17 Ų1771.9 Ų71.911%0.1138%0.377CS..Hα-helixtrans-58.2-25.8176.4-27.933.7000114.6L221 L235 C268 L269 L297 M298 T301L221-P265 HydrophobicContact CD1-CB 4.1Å; L221-P265 HydrophobicContact CD1-CG 4.15Å; L221-P265 HydrophobicContact CD2-CG 4.21Å; L235-P265 HydrophobicContact CD2-CG 3.57Å; L235-P265 HydrophobicContact CG-CG 4.4Å; P265-C268 WeakPolarHBondContact O-CB 3.27Å; P265-C268 PolarHBondContact O-N 3.38Å; P265-L269 WeakPolarHBondContact O-CB 3.34Å; P265-L269 PolarHBondContact O-N 2.93Å; P265-L297 HydrophobicContact CB-CD2 3.91Å; P265-L297 HydrophobicContact CB-CG 3.87Å; P265-M298 HydrophobicContact CB-SD 3.43Å; P265-M298 WeakPolarHBondContact CB-SD 3.14Å; P265-M298 HydrophobicContact CG-SD 3.43Å; P265-M298 WeakPolarHBondContact CG-SD 3.32Å; P265-T301 PolarHBondContact O-OG1 2.87Å
266L60.5Low48.8Very low0 Ų066.3 Ų66.30%035%0.349CS..Hα-helixtrans-70.7-45.2170.1176.557.6000110.8L214 L221 F224 S264 C268 L269 I270 Y289 L297L214-L266 HydrophobicContact CD2-CD2 3.95Å; L221-L266 HydrophobicContact CD1-CB 4.04Å; F224-L266 HydrophobicContact CD2-CB 4.37Å; F224-L266 HydrophobicContact CD2-CD2 4.07Å; F224-L266 HydrophobicContact CE2-CB 3.95Å; F224-L266 HydrophobicContact CE2-CD2 3.8Å; F224-L266 HydrophobicContact CE2-CG 3.98Å; S264-L266 PolarHBondContact O-N 2.79Å; S264-L266 VanDerWaalsContact O-N 3.11Å; L266-C268 PolarHBondContact O-N 3.25Å; L266-L269 HydrophobicContact CD1-CD2 4.04Å; L266-L269 WeakPolarHBondContact O-CB 3.17Å; L266-L269 PolarHBondContact O-N 3.37Å; L266-L269 VanDerWaalsContact O-N 3.16Å; L266-I270 HydrophobicContact CD1-CD1 4Å; L266-I270 HydrophobicContact CD1-CG1 4.24Å; L266-I270 HydrophobicContact CG-CD1 3.85Å; L266-I270 WeakPolarHBondContact O-CB 3.36Å; L266-I270 VanDerWaalsContact O-CD1 3.28Å; L266-I270 WeakPolarHBondContact O-CD1 3.43Å; L266-I270 WeakPolarHBondContact O-CG1 3.25Å; L266-I270 PolarHBondContact O-N 3.03Å; L266-Y289 HydrophobicContact CD1-CE1 4.16Å; L266-L297 HydrophobicContact CB-CD2 4.15Å
267G61.6Low50.5Low1 Ų157.4 Ų57.41%0.0131%0.311CS..Hα-helixtrans-57.5-35168.500000113.4S264 I270 R271S264-G267 CarbonylContact O-C 3.49Å; S264-G267 WeakPolarHBondContact O-CA 3.23Å; S264-G267 PolarHBondContact O-N 3.31Å; S264-G267 PolarHBondContact OG-N 2.67Å; S264-G267 VanDerWaalsContact OG-N 3.09Å; G267-I270 PolarHBondContact O-N 2.85Å; G267-R271 WeakPolarHBondContact O-CB 3.21Å; G267-R271 PolarHBondContact O-N 2.92Å
268C56Low52.9Low31 Ų3150.5 Ų50.521%0.20929%0.286CS..Hα-helixtrans-67.7-47.6172.7-650000111.8S264 P265 L266 I270 R271 I272 T301S264-C268 PolarHBondContact O-N 3.15Å; S264-C268 PolarHBondContact O-SG 3.38Å; P265-C268 WeakPolarHBondContact O-CB 3.27Å; P265-C268 PolarHBondContact O-N 3.38Å; L266-C268 PolarHBondContact O-N 3.25Å; C268-I270 VanDerWaalsContact C-N 3.27Å; C268-I270 PolarHBondContact O-N 3.16Å; C268-R271 PolarHBondContact O-N 3.02Å; C268-I272 VanDerWaalsContact O-CB 3.27Å; C268-I272 WeakPolarHBondContact O-CB 3.17Å; C268-I272 VanDerWaalsContact O-CD1 3.31Å; C268-I272 WeakPolarHBondContact O-CD1 3.36Å; C268-I272 WeakPolarHBondContact O-CG1 3.41Å; C268-I272 PolarHBondContact O-N 3.1Å; C268-T301 HydrophobicContact CB-CG2 3.76Å
269L62.2Low55.4Low1 Ų144.6 Ų44.61%0.00525%0.254CS..Hα-helixtrans-55.7-45.5173.2177.9132.4000109.9P265 L266 I272 L273 W286 Y289 L297 I300P265-L269 WeakPolarHBondContact O-CB 3.34Å; P265-L269 PolarHBondContact O-N 2.93Å; L266-L269 HydrophobicContact CD1-CD2 4.04Å; L266-L269 WeakPolarHBondContact O-CB 3.17Å; L266-L269 PolarHBondContact O-N 3.37Å; L266-L269 VanDerWaalsContact O-N 3.16Å; L269-I272 VanDerWaalsContact O-CB 3.24Å; L269-I272 WeakPolarHBondContact O-CB 3.23Å; L269-I272 PolarHBondContact O-N 3.35Å; L269-L273 HydrophobicContact CD2-CD1 3.52Å; L269-L273 HydrophobicContact CG-CD1 3.95Å; L269-L273 WeakPolarHBondContact O-CD1 3.2Å; L269-L273 WeakPolarHBondContact O-CG 3.43Å; L269-L273 PolarHBondContact O-N 3.35Å; L269-L273 VanDerWaalsContact O-N 3.15Å; L269-W286 HydrophobicContact CD2-CH2 4.09Å; L269-W286 HydrophobicContact CD2-CZ2 3.75Å; L269-Y289 HydrophobicContact CD2-CD1 4.49Å; L269-L297 HydrophobicContact CB-CD1 3.64Å; L269-L297 HydrophobicContact CD1-CD1 3.53Å; L269-L297 HydrophobicContact CG-CD1 4.09Å; L269-I300 HydrophobicContact CD1-CB 4.21Å; L269-I300 HydrophobicContact CD1-CD1 4.38Å; L269-I300 HydrophobicContact CD1-CG2 3.57Å
270I62.4Low58Low4 Ų437.8 Ų37.82%0.02122%0.221CC..Hα-helixtrans-60-55.4176.8-63.5155.1000110.9D189 H192 I193 L266 G267 C268 I272 L273 I274D189-I270 HydrophobicContact CB-CB 4.23Å; D189-I270 HydrophobicContact CB-CD1 4.03Å; D189-I270 HydrophobicContact CB-CG2 3.61Å; D189-I270 WeakPolarHBondContact O-CG2 3.15Å; H192-I270 HydrophobicContact CB-CG2 4.5Å; I193-I270 HydrophobicContact CD1-CD1 3.41Å; I193-I270 VanDerWaalsContact CD1-CD1 3.41Å; I193-I270 HydrophobicContact CD1-CG1 3.93Å; I193-I270 HydrophobicContact CG1-CD1 3.86Å; I193-I270 HydrophobicContact CG1-CG1 3.8Å; I193-I270 HydrophobicContact CG1-CG2 4.49Å; L266-I270 HydrophobicContact CD1-CD1 4Å; L266-I270 HydrophobicContact CD1-CG1 4.24Å; L266-I270 HydrophobicContact CG-CD1 3.85Å; L266-I270 WeakPolarHBondContact O-CB 3.36Å; L266-I270 VanDerWaalsContact O-CD1 3.28Å; L266-I270 WeakPolarHBondContact O-CD1 3.43Å; L266-I270 WeakPolarHBondContact O-CG1 3.25Å; L266-I270 PolarHBondContact O-N 3.03Å; G267-I270 PolarHBondContact O-N 2.85Å; C268-I270 VanDerWaalsContact C-N 3.27Å; C268-I270 PolarHBondContact O-N 3.16Å; I270-I272 PolarHBondContact O-N 2.92Å; I270-I272 VanDerWaalsContact O-N 3.13Å; I270-L273 WeakPolarHBondContact O-CB 3.49Å; I270-L273 PolarHBondContact O-N 3.27Å; I270-I274 HydrophobicContact CG2-CD1 3.65Å; I270-I274 HydrophobicContact CG2-CG1 4.22Å; I270-I274 VanDerWaalsContact O-CG1 3.26Å; I270-I274 WeakPolarHBondContact O-CG1 3.43Å; I270-I274 PolarHBondContact O-N 3.05Å
271R60.3Low60.6Low85 Ų8534 Ų3432%0.32120%0.195SC..Hα-helixtrans-50.1-41.3175.1-167.283.974.2999.9113.1C263 G267 C268 L273 I274 D275C263-R271 PolarHBondContact SG-NH2 3.27Å; C263-R271 VanDerWaalsContact SG-NH2 3.44Å; G267-R271 WeakPolarHBondContact O-CB 3.21Å; G267-R271 PolarHBondContact O-N 2.92Å; C268-R271 PolarHBondContact O-N 3.02Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 3.07Å; R271-I274 PolarHBondContact O-N 3.13Å; R271-D275 PolarHBondContact O-N 2.56Å; R271-D275 VanDerWaalsContact O-N 3.1Å
272I57.1Low63.2Low5 Ų532.1 Ų32.13%0.02617%0.173CC..Hα-helixtrans-59.7-40178.1-89.1157.1000112.4C268 L269 I270 G276 I277 T301 A304C268-I272 VanDerWaalsContact O-CB 3.27Å; C268-I272 WeakPolarHBondContact O-CB 3.17Å; C268-I272 VanDerWaalsContact O-CD1 3.31Å; C268-I272 WeakPolarHBondContact O-CD1 3.36Å; C268-I272 WeakPolarHBondContact O-CG1 3.41Å; C268-I272 PolarHBondContact O-N 3.1Å; L269-I272 VanDerWaalsContact O-CB 3.24Å; L269-I272 WeakPolarHBondContact O-CB 3.23Å; L269-I272 PolarHBondContact O-N 3.35Å; I270-I272 PolarHBondContact O-N 2.92Å; I270-I272 VanDerWaalsContact O-N 3.13Å; I272-G276 PolarHBondContact O-N 2.82Å; I272-I277 HydrophobicContact CG2-CD1 3.8Å; I272-T301 HydrophobicContact CD1-CG2 4.05Å; I272-A304 HydrophobicContact CB-CB 4.01Å; I272-A304 HydrophobicContact CD1-CB 3.41Å; I272-A304 VanDerWaalsContact CD1-CB 3.41Å; I272-A304 HydrophobicContact CG1-CB 3.62Å; I272-A304 HydrophobicContact CG2-CB 3.25Å
273L59.5Low65.7Low24 Ų2424.4 Ų24.413%0.12614%0.138CC..Hα-helixtrans-80.1-26.9-178.2-56154000111.6L269 I270 R271 T282 W286L269-L273 HydrophobicContact CD2-CD1 3.52Å; L269-L273 HydrophobicContact CG-CD1 3.95Å; L269-L273 WeakPolarHBondContact O-CD1 3.2Å; L269-L273 WeakPolarHBondContact O-CG 3.43Å; L269-L273 PolarHBondContact O-N 3.35Å; L269-L273 VanDerWaalsContact O-N 3.15Å; I270-L273 WeakPolarHBondContact O-CB 3.49Å; I270-L273 PolarHBondContact O-N 3.27Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 3.07Å; L273-T282 HydrophobicContact CB-CG2 4.14Å; L273-T282 HydrophobicContact CD2-CG2 3.59Å; L273-T282 WeakPolarHBondContact CD2-OG1 3.28Å; L273-T282 HydrophobicContact CG-CG2 4.37Å; L273-W286 HydrophobicContact CD1-CZ2 3.61Å
274I57.9Low68.1Low46 Ų4622.5 Ų22.524%0.23612%0.123CC..Hα-helixtrans-70.9-59.9176.3-63173.3000110.9H192 I270 R271H192-I274 HydrophobicContact CB-CD1 3.92Å; H192-I274 HydrophobicContact CB-CG1 3.71Å; H192-I274 VanDerWaalsContact CG-CG1 3.42Å; H192-I274 WeakPolarHBondContact ND1-CD1 3.36Å; I270-I274 HydrophobicContact CG2-CD1 3.65Å; I270-I274 HydrophobicContact CG2-CG1 4.22Å; I270-I274 VanDerWaalsContact O-CG1 3.26Å; I270-I274 WeakPolarHBondContact O-CG1 3.43Å; I270-I274 PolarHBondContact O-N 3.05Å; R271-I274 PolarHBondContact O-N 3.13Å
275D58.9Low69.8Low121 Ų12121.5 Ų21.565%0.64712%0.116SC*.Hα-helixtrans-105.7-17.3-162.4-66.1-51.4000114.7R271R271-D275 PolarHBondContact O-N 2.56Å; R271-D275 VanDerWaalsContact O-N 3.1Å
276G59.7Low71.5Confident5 Ų520.9 Ų20.95%0.05211%0.112CC..THydrogen-bonded Turntrans-109.9-29.2-156.400000118.1I272 R311I272-G276 PolarHBondContact O-N 2.82Å; G276-R311 WeakPolarHBondContact O-CD 3.41Å; G276-R311 PolarHBondContact O-NE 3.48Å; G276-R311 PolarHBondContact O-NH1 3.4Å
277I67.9Low73Confident22 Ų2220.9 Ų20.911%0.11311%0.112CC..SBendtrans-136.3157.7-154.1-63.8-168.3000111.7I272 L281 L285 A304 V307I272-I277 HydrophobicContact CG2-CD1 3.8Å; I277-L281 HydrophobicContact CG2-CB 3.64Å; I277-L281 HydrophobicContact CG2-CD2 3.74Å; I277-L281 HydrophobicContact CG2-CG 3.73Å; I277-L285 HydrophobicContact CD1-CD1 4.48Å; I277-A304 HydrophobicContact CD1-CB 3.69Å; I277-V307 HydrophobicContact CD1-CB 4.48Å; I277-V307 HydrophobicContact CD1-CG1 4.39Å; I277-V307 HydrophobicContact CG1-CG1 4.25Å
278S79.5Confident74.5Confident44 Ų4420.8 Ų20.831%0.30811%0.111SC..  trans-68.5145173.148.70000111.4G280 L281 T282S278-G280 PolarHBondContact O-N 2.92Å; S278-G280 VanDerWaalsContact O-N 3.14Å; S278-L281 PolarHBondContact O-N 3.06Å; S278-L281 VanDerWaalsContact O-N 3.15Å; S278-T282 WeakPolarHBondContact O-CB 3.5Å; S278-T282 PolarHBondContact O-N 2.99Å; S278-T282 PolarHBondContact O-OG1 3.45Å
279L82.2Confident76.1Confident18 Ų1819.3 Ų19.39%0.09410%0.101CC..Hα-helixtrans-54.6-35.5178.2-178.457.7000112.3L49 I51 L196 L199 T282 L283L49-L279 HydrophobicContact CB-CD2 4.23Å; L49-L279 HydrophobicContact CD1-CB 4.32Å; I51-L279 HydrophobicContact CD1-CB 4.3Å; I51-L279 HydrophobicContact CD1-CD2 3.74Å; I51-L279 HydrophobicContact CG1-CB 4.35Å; I51-L279 HydrophobicContact CG1-CD2 4.14Å; L196-L279 HydrophobicContact CD1-CD1 3.84Å; L199-L279 HydrophobicContact CD1-CD1 4.34Å; L199-L279 HydrophobicContact CD1-CD2 4.22Å; L279-T282 HydrophobicContact CD1-CG2 3.98Å; L279-T282 WeakPolarHBondContact O-CB 3.46Å; L279-T282 PolarHBondContact O-N 3.36Å; L279-L283 HydrophobicContact CD1-CD1 4.12Å; L279-L283 HydrophobicContact CD1-CD2 4.48Å; L279-L283 HydrophobicContact CD1-CG 4.02Å; L279-L283 HydrophobicContact CG-CD1 3.92Å; L279-L283 HydrophobicContact CG-CG 4.32Å; L279-L283 WeakPolarHBondContact O-CB 3.43Å; L279-L283 WeakPolarHBondContact O-CD1 3.35Å; L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 2.96Å
280G84.6Confident77.5Confident6 Ų619.4 Ų19.46%0.06210%0.102CC..Hα-helixtrans-59.8-51.7176.500000113.2L49 S278 L283 R284 E336L49-G280 VanDerWaalsContact CD1-N 3.29Å; S278-G280 PolarHBondContact O-N 2.92Å; S278-G280 VanDerWaalsContact O-N 3.14Å; G280-L283 PolarHBondContact O-N 3.19Å; G280-R284 WeakPolarHBondContact O-CG 3.49Å; G280-R284 PolarHBondContact O-N 3.18Å; G280-E336 VanDerWaalsContact C-OE1 3.28Å; G280-E336 WeakPolarHBondContact CA-OE1 3.24Å
281L85.3Confident78.9Confident7 Ų720.4 Ų20.44%0.03711%0.108CC..Hα-helixtrans-67.8-39.8177.7179.557.2000111.3I277 S278 L283 R284 L285 E336 V339 L340I277-L281 HydrophobicContact CG2-CB 3.64Å; I277-L281 HydrophobicContact CG2-CD2 3.74Å; I277-L281 HydrophobicContact CG2-CG 3.73Å; S278-L281 PolarHBondContact O-N 3.06Å; S278-L281 VanDerWaalsContact O-N 3.15Å; L281-L283 PolarHBondContact O-N 3.41Å; L281-R284 PolarHBondContact O-N 3.43Å; L281-L285 HydrophobicContact CD1-CD1 4.23Å; L281-L285 HydrophobicContact CD1-CD2 4.36Å; L281-L285 HydrophobicContact CD1-CG 4.04Å; L281-L285 HydrophobicContact CG-CD1 4.05Å; L281-L285 HydrophobicContact CG-CG 4.34Å; L281-L285 VanDerWaalsContact O-CG 3.26Å; L281-L285 WeakPolarHBondContact O-CG 3.08Å; L281-L285 PolarHBondContact O-N 3.1Å; L281-E336 HydrophobicContact CB-CG 4.14Å; L281-E336 HydrophobicContact CD1-CB 4.33Å; L281-E336 PolarHBondContact N-OE1 2.94Å; L281-V339 HydrophobicContact CD1-CB 4.03Å; L281-V339 HydrophobicContact CD1-CG1 3.95Å; L281-V339 HydrophobicContact CD1-CG2 4.39Å; L281-V339 HydrophobicContact CD2-CB 4.43Å; L281-V339 HydrophobicContact CD2-CG1 4.18Å; L281-V339 HydrophobicContact CD2-CG2 4.02Å; L281-L340 HydrophobicContact CD1-CD2 3.55Å
282T86.4Confident80.3Confident5 Ų518.6 Ų18.63%0.03110%0.103CC..Hα-helixtrans-47.7-58.3169.6-79.90000110.3L196 L273 S278 L279 R284 L285 W286L196-T282 HydrophobicContact CD1-CG2 3.99Å; L273-T282 HydrophobicContact CB-CG2 4.14Å; L273-T282 HydrophobicContact CD2-CG2 3.59Å; L273-T282 WeakPolarHBondContact CD2-OG1 3.28Å; L273-T282 HydrophobicContact CG-CG2 4.37Å; S278-T282 WeakPolarHBondContact O-CB 3.5Å; S278-T282 PolarHBondContact O-N 2.99Å; S278-T282 PolarHBondContact O-OG1 3.45Å; L279-T282 HydrophobicContact CD1-CG2 3.98Å; L279-T282 WeakPolarHBondContact O-CB 3.46Å; L279-T282 PolarHBondContact O-N 3.36Å; T282-R284 VanDerWaalsContact C-N 3.32Å; T282-R284 PolarHBondContact O-N 3.35Å; T282-L285 PolarHBondContact O-N 3.05Å; T282-L285 VanDerWaalsContact O-N 3.13Å; T282-W286 VanDerWaalsContact O-CD1 3.22Å; T282-W286 PolarHBondContact O-N 3.36Å; T282-W286 VanDerWaalsContact O-N 3.11Å
283L89.2Confident81.7Confident0 Ų018.6 Ų18.60%011%0.105CC..Hα-helixtrans-60.2-38.7-179.7-68.7166.7000113.1L49 W111 L196 Y200 L279 G280 L281 W286 D287L49-L283 HydrophobicContact CD2-CD1 4.47Å; W111-L283 HydrophobicContact CH2-CD2 3.66Å; W111-L283 HydrophobicContact CZ2-CD2 4.12Å; L196-L283 HydrophobicContact CD1-CD2 3.67Å; L196-L283 HydrophobicContact CD1-CG 4.45Å; L196-L283 HydrophobicContact CD2-CD2 4.46Å; L196-L283 HydrophobicContact CG-CD2 4.14Å; Y200-L283 HydrophobicContact CD2-CD2 4.24Å; Y200-L283 HydrophobicContact CE2-CD1 4.07Å; Y200-L283 HydrophobicContact CE2-CD2 3.45Å; Y200-L283 VanDerWaalsContact CE2-CD2 3.45Å; Y200-L283 HydrophobicContact CE2-CG 4.42Å; Y200-L283 VanDerWaalsContact OH-CD1 3.27Å; Y200-L283 WeakPolarHBondContact OH-CD1 3.16Å; L279-L283 HydrophobicContact CD1-CD1 4.12Å; L279-L283 HydrophobicContact CD1-CD2 4.48Å; L279-L283 HydrophobicContact CD1-CG 4.02Å; L279-L283 HydrophobicContact CG-CD1 3.92Å; L279-L283 HydrophobicContact CG-CG 4.32Å; L279-L283 WeakPolarHBondContact O-CB 3.43Å; L279-L283 WeakPolarHBondContact O-CD1 3.35Å; L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 2.96Å; G280-L283 PolarHBondContact O-N 3.19Å; L281-L283 PolarHBondContact O-N 3.41Å; L283-W286 WeakPolarHBondContact O-CB 3.45Å; L283-W286 PolarHBondContact O-N 2.86Å; L283-D287 PolarHBondContact O-N 3.48Å
284R90.5Very high82.9Confident9 Ų921.2 Ų21.23%0.03412%0.116CC..Hα-helixtrans-70.8-28177.5-74.5-169.864.61762.5114.3Y99 K100 G280 L281 T282 V288 E336 D337 L340Y99-R284 PolarHBondContact O-NH2 3.19Å; K100-R284 PolarHBondContact O-NH2 3.2Å; G280-R284 WeakPolarHBondContact O-CG 3.49Å; G280-R284 PolarHBondContact O-N 3.18Å; L281-R284 PolarHBondContact O-N 3.43Å; T282-R284 VanDerWaalsContact C-N 3.32Å; T282-R284 PolarHBondContact O-N 3.35Å; R284-V288 WeakPolarHBondContact O-CG2 3.47Å; R284-V288 PolarHBondContact O-N 3.1Å; R284-E336 WeakPolarHBondContact CD-OE2 3.43Å; R284-E336 IonicContact NH1-OE2 3.63Å; R284-D337 IonicContact CZ-OD1 2.74Å; R284-D337 VanDerWaalsContact CZ-OD1 3.26Å; R284-D337 IonicContact NH1-OD1 3.66Å; R284-D337 PolarHBondContact NH1-OD1 3.01Å; R284-D337 IonicContact NH2-OD1 2.71Å; R284-D337 PolarHBondContact NH2-OD1 3.25Å; R284-L340 HydrophobicContact CB-CD2 4.03Å
285L89.3Confident84.1Confident1 Ų124.9 Ų24.91%0.00513%0.132CC..Hα-helixtrans-73.3-36.8172.6-65.7170.1000110.2I277 L281 T282 V288 Y289 I300 L340 L343I277-L285 HydrophobicContact CD1-CD1 4.48Å; L281-L285 HydrophobicContact CD1-CD1 4.23Å; L281-L285 HydrophobicContact CD1-CD2 4.36Å; L281-L285 HydrophobicContact CD1-CG 4.04Å; L281-L285 HydrophobicContact CG-CD1 4.05Å; L281-L285 HydrophobicContact CG-CG 4.34Å; L281-L285 VanDerWaalsContact O-CG 3.26Å; L281-L285 WeakPolarHBondContact O-CG 3.08Å; L281-L285 PolarHBondContact O-N 3.1Å; T282-L285 PolarHBondContact O-N 3.05Å; T282-L285 VanDerWaalsContact O-N 3.13Å; L285-V288 PolarHBondContact O-N 3.14Å; L285-Y289 WeakPolarHBondContact O-CB 3.46Å; L285-Y289 PolarHBondContact O-N 2.95Å; L285-I300 HydrophobicContact CB-CG2 4.13Å; L285-I300 HydrophobicContact CD1-CG2 4.12Å; L285-I300 HydrophobicContact CD2-CG1 4.19Å; L285-I300 HydrophobicContact CD2-CG2 4.09Å; L285-I300 HydrophobicContact CG-CG2 4.33Å; L285-L340 HydrophobicContact CD2-CD1 4.22Å; L285-L343 HydrophobicContact CD2-CD2 4.02Å
286W89.9Confident85.4Confident3 Ų319.1 Ų19.11%0.01110%0.102CC..Hα-helixtrans-63.3-46168.8-78.398.4000113.2W111 I193 L196 F197 L213 L269 L273 T282 L283 V288 Y289 L290W111-W286 HydrophobicContact CZ2-CB 4.23Å; I193-W286 HydrophobicContact CG1-CH2 4.48Å; I193-W286 HydrophobicContact CG2-CH2 3.96Å; I193-W286 HydrophobicContact CG2-CZ2 4.46Å; L196-W286 HydrophobicContact CD2-CD2 3.88Å; L196-W286 HydrophobicContact CD2-CG 3.66Å; L196-W286 HydrophobicContact CD2-CZ2 4.36Å; F197-W286 HydrophobicContact CZ-CZ3 4.42Å; L213-W286 HydrophobicContact CD1-CZ3 3.96Å; L213-W286 HydrophobicContact CD2-CH2 3.65Å; L213-W286 HydrophobicContact CD2-CZ3 3.58Å; L213-W286 HydrophobicContact CG-CZ3 4.44Å; L269-W286 HydrophobicContact CD2-CH2 4.09Å; L269-W286 HydrophobicContact CD2-CZ2 3.75Å; L273-W286 HydrophobicContact CD1-CZ2 3.61Å; T282-W286 VanDerWaalsContact O-CD1 3.22Å; T282-W286 PolarHBondContact O-N 3.36Å; T282-W286 VanDerWaalsContact O-N 3.11Å; L283-W286 WeakPolarHBondContact O-CB 3.45Å; L283-W286 PolarHBondContact O-N 2.86Å; W286-V288 PolarHBondContact O-N 3.32Å; W286-V288 VanDerWaalsContact O-N 3.08Å; W286-Y289 AromaticContact CE3-CD1 3.8Å; W286-Y289 HydrophobicContact CE3-CD1 3.8Å; W286-Y289 HydrophobicContact CE3-CE1 4.36Å; W286-Y289 HydrophobicContact CH2-CE1 4.39Å; W286-Y289 AromaticContact CZ3-CD1 3.76Å; W286-Y289 HydrophobicContact CZ3-CD1 3.76Å; W286-Y289 AromaticContact CZ3-CE1 3.84Å; W286-Y289 HydrophobicContact CZ3-CE1 3.84Å; W286-Y289 PolarHBondContact O-N 3.24Å; W286-Y289 VanDerWaalsContact O-N 3.11Å; W286-L290 HydrophobicContact CE3-CD2 4.29Å; W286-L290 HydrophobicContact CE3-CG 4.26Å; W286-L290 WeakPolarHBondContact O-CB 3.31Å; W286-L290 WeakPolarHBondContact O-CG 3.47Å; W286-L290 PolarHBondContact O-N 2.94Å
287D92.9Very high86.5Confident0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-53.9-31.4176.4-68.5-28.3000111.8M102 R107 W111 L283 V291M102-D287 HydrophobicContact CB-CB 4.36Å; M102-D287 WeakPolarHBondContact CB-OD2 3.28Å; M102-D287 HydrophobicContact CE-CB 4.17Å; R107-D287 IonicContact CZ-OD2 2.63Å; R107-D287 IonicContact NE-OD1 3.52Å; R107-D287 PolarHBondContact NE-OD1 3.32Å; R107-D287 IonicContact NE-OD2 3.65Å; R107-D287 PolarHBondContact NE-OD2 3.33Å; R107-D287 IonicContact NH2-OD2 2.67Å; R107-D287 PolarHBondContact NH2-OD2 2.67Å; W111-D287 PolarHBondContact NE1-OD1 2.97Å; W111-D287 VanDerWaalsContact NE1-OD1 3.1Å; L283-D287 PolarHBondContact O-N 3.48Å; D287-V291 VanDerWaalsContact O-CG2 3.28Å; D287-V291 WeakPolarHBondContact O-CG2 3.34Å
288V92.8Very high87Confident0 Ų020.4 Ų20.40%011%0.106CC..Hα-helixtrans-85.4-44.5175.3174.70000112.2A98 Y99 R284 L285 W286 L290 V291 E292 A296 L340 L343A98-V288 HydrophobicContact CB-CG2 4.42Å; Y99-V288 HydrophobicContact CD1-CG2 4.01Å; Y99-V288 HydrophobicContact CE1-CG1 3.81Å; Y99-V288 HydrophobicContact CE1-CG2 4.11Å; Y99-V288 HydrophobicContact CE2-CG1 4.34Å; Y99-V288 HydrophobicContact CG-CG2 4.37Å; R284-V288 WeakPolarHBondContact O-CG2 3.47Å; R284-V288 PolarHBondContact O-N 3.1Å; L285-V288 PolarHBondContact O-N 3.14Å; W286-V288 PolarHBondContact O-N 3.32Å; W286-V288 VanDerWaalsContact O-N 3.08Å; V288-L290 PolarHBondContact O-N 3.45Å; V288-V291 PolarHBondContact O-N 3.15Å; V288-V291 VanDerWaalsContact O-N 3.14Å; V288-E292 HydrophobicContact CG1-CG 4Å; V288-E292 WeakPolarHBondContact O-CB 3.46Å; V288-E292 PolarHBondContact O-N 3.47Å; V288-A296 HydrophobicContact CG1-CB 4.48Å; V288-L340 HydrophobicContact CG2-CD1 3.79Å; V288-L343 HydrophobicContact CB-CD2 4.38Å; V288-L343 HydrophobicContact CG1-CD2 3.89Å
289Y90.7Very high87.3Confident0 Ų019.1 Ų19.10%010%0.097CC..Hα-helixtrans-61.7-41.4-180174.5-129.7000112.7L213 H219 L266 L269 L285 W286 V291 G293 L297L213-Y289 HydrophobicContact CD1-CE1 3.9Å; H219-Y289 PolarHBondContact NE2-O 2.74Å; H219-Y289 PolarHBondContact O-OH 2.97Å; L266-Y289 HydrophobicContact CD1-CE1 4.16Å; L269-Y289 HydrophobicContact CD2-CD1 4.49Å; L285-Y289 WeakPolarHBondContact O-CB 3.46Å; L285-Y289 PolarHBondContact O-N 2.95Å; W286-Y289 AromaticContact CE3-CD1 3.8Å; W286-Y289 HydrophobicContact CE3-CD1 3.8Å; W286-Y289 HydrophobicContact CE3-CE1 4.36Å; W286-Y289 HydrophobicContact CH2-CE1 4.39Å; W286-Y289 AromaticContact CZ3-CD1 3.76Å; W286-Y289 HydrophobicContact CZ3-CD1 3.76Å; W286-Y289 AromaticContact CZ3-CE1 3.84Å; W286-Y289 HydrophobicContact CZ3-CE1 3.84Å; W286-Y289 PolarHBondContact O-N 3.24Å; W286-Y289 VanDerWaalsContact O-N 3.11Å; Y289-V291 PolarHBondContact O-N 3.24Å; Y289-G293 WeakPolarHBondContact CD2-O 3.11Å; Y289-G293 VanDerWaalsContact O-CA 3.3Å; Y289-G293 WeakPolarHBondContact O-CA 3.24Å; Y289-G293 PolarHBondContact O-N 2.61Å; Y289-L297 HydrophobicContact CE2-CB 4.23Å; Y289-L297 HydrophobicContact CE2-CD1 4.2Å; Y289-L297 HydrophobicContact CE2-CD2 4.46Å
290L91.3Very high87.4Confident2 Ų218.3 Ų18.31%0.019%0.093CC..Hα-helixtrans-65.7-22.7176.9-66.3173.7000112.9W111 L114 L115 L213 H219 W286 V288W111-L290 HydrophobicContact CB-CD1 4.34Å; W111-L290 HydrophobicContact CD2-CD1 3.92Å; W111-L290 HydrophobicContact CG-CD1 3.7Å; L114-L290 HydrophobicContact CD1-CB 3.96Å; L115-L290 HydrophobicContact CD1-CD2 4.04Å; L115-L290 HydrophobicContact CD2-CD2 3.89Å; L115-L290 HydrophobicContact CG-CD2 4.12Å; L213-L290 HydrophobicContact CD1-CD2 3.86Å; H219-L290 WeakPolarHBondContact NE2-CA 3.18Å; H219-L290 PolarHBondContact NE2-O 3.33Å; W286-L290 HydrophobicContact CE3-CD2 4.29Å; W286-L290 HydrophobicContact CE3-CG 4.26Å; W286-L290 WeakPolarHBondContact O-CB 3.31Å; W286-L290 WeakPolarHBondContact O-CG 3.47Å; W286-L290 PolarHBondContact O-N 2.94Å; V288-L290 PolarHBondContact O-N 3.45Å
291V91.8Very high87Confident25 Ų2518.1 Ų18.115%0.1529%0.091CC..Hα-helixtrans-96.8-38.4-178.1171.30000113.1L94 I95 A98 L114 D287 V288 Y289L94-V291 HydrophobicContact CD2-CG1 4.21Å; L94-V291 HydrophobicContact CG-CG1 3.98Å; L94-V291 HydrophobicContact CG-CG2 4.42Å; I95-V291 HydrophobicContact CB-CG1 4.45Å; I95-V291 HydrophobicContact CG1-CG1 3.9Å; A98-V291 HydrophobicContact CB-CB 4.24Å; A98-V291 HydrophobicContact CB-CG1 4.24Å; A98-V291 HydrophobicContact CB-CG2 4.07Å; L114-V291 HydrophobicContact CD1-CG2 3.7Å; L114-V291 HydrophobicContact CD2-CG2 3.91Å; D287-V291 VanDerWaalsContact O-CG2 3.28Å; D287-V291 WeakPolarHBondContact O-CG2 3.34Å; V288-V291 PolarHBondContact O-N 3.15Å; V288-V291 VanDerWaalsContact O-N 3.14Å; Y289-V291 PolarHBondContact O-N 3.24Å
292E89.6Confident86.6Confident47 Ų4723 Ų2322%0.2211%0.108CC..Hα-helixtrans-95.8-16.4-178-64.7-103.5-12300113.1I95 Y99 V288 A296 M347I95-E292 HydrophobicContact CG2-CG 4.35Å; Y99-E292 HydrophobicContact CE2-CG 4.41Å; Y99-E292 WeakPolarHBondContact CE2-OE1 3.4Å; Y99-E292 VanDerWaalsContact CZ-OE1 3.26Å; Y99-E292 PolarHBondContact OH-OE1 3.09Å; V288-E292 HydrophobicContact CG1-CG 4Å; V288-E292 WeakPolarHBondContact O-CB 3.46Å; V288-E292 PolarHBondContact O-N 3.47Å; E292-A296 HydrophobicContact CB-CB 3.77Å; E292-M347 HydrophobicContact CB-CE 4.02Å; E292-M347 HydrophobicContact CG-CE 4.21Å; E292-M347 WeakPolarHBondContact OE1-CE 3.41Å
293G86.2Confident86.3Confident6 Ų623.5 Ų23.56%0.06211%0.111CC..THydrogen-bonded Turntrans71.9-158.4-179.900000114.5R218 Y289 Q295 A296R218-G293 CarbonylContact O-C 3.52Å; R218-G293 WeakPolarHBondContact O-CA 3.33Å; Y289-G293 WeakPolarHBondContact CD2-O 3.11Å; Y289-G293 VanDerWaalsContact O-CA 3.3Å; Y289-G293 WeakPolarHBondContact O-CA 3.24Å; Y289-G293 PolarHBondContact O-N 2.61Å; G293-Q295 PolarHBondContact O-N 3.39Å; G293-Q295 VanDerWaalsContact O-N 3.07Å; G293-A296 PolarHBondContact O-N 2.84Å
294E83.6Confident85.6Confident79 Ų7923.5 Ų23.537%0.36911%0.111SC..Hα-helixtrans-47.8-36.4-178.1-171.8-171.9-160.900113.6R218 L221 A296 L297R218-E294 PolarHBondContact O-N 2.86Å; L221-E294 WeakPolarHBondContact CA-OE1 3.38Å; L221-E294 HydrophobicContact CD2-CG 4.19Å; L221-E294 WeakPolarHBondContact CD2-OE1 3.3Å; L221-E294 HydrophobicContact CG-CG 4.29Å; E294-A296 PolarHBondContact O-N 2.71Å; E294-A296 VanDerWaalsContact O-N 3.16Å; E294-L297 WeakPolarHBondContact O-CB 3.32Å; E294-L297 PolarHBondContact O-N 3.23Å
295Q84.5Confident84.6Confident123 Ų12327.6 Ų27.658%0.57513%0.129SC*.Hα-helixtrans-59.5-29.3-179.7-67-179.757.200113.6G293 L297 P299 M347G293-Q295 PolarHBondContact O-N 3.39Å; G293-Q295 VanDerWaalsContact O-N 3.07Å; Q295-L297 VanDerWaalsContact C-N 3.34Å; Q295-P299 VanDerWaalsContact O-CD 3.27Å; Q295-P299 WeakPolarHBondContact O-CD 3.33Å; Q295-M347 HydrophobicContact CB-CE 4.25Å
296A86.3Confident84Confident0 Ų032.5 Ų32.50%015%0.15CC..Hα-helixtrans-78.2-18.6176.400000113.3V288 E292 G293 E294 M298 P299 I300 M347V288-A296 HydrophobicContact CG1-CB 4.48Å; E292-A296 HydrophobicContact CB-CB 3.77Å; G293-A296 PolarHBondContact O-N 2.84Å; E294-A296 PolarHBondContact O-N 2.71Å; E294-A296 VanDerWaalsContact O-N 3.16Å; A296-M298 PolarHBondContact O-N 2.94Å; A296-P299 WeakPolarHBondContact O-CD 3.3Å; A296-I300 HydrophobicContact CB-CD1 3.88Å; A296-I300 HydrophobicContact CB-CG1 4.49Å; A296-I300 WeakPolarHBondContact O-CB 3.49Å; A296-I300 WeakPolarHBondContact O-CD1 3.41Å; A296-I300 WeakPolarHBondContact O-CG1 3.34Å; A296-I300 PolarHBondContact O-N 2.94Å; A296-M347 HydrophobicContact CB-CE 3.93Å; A296-M347 HydrophobicContact CB-SD 4.24Å
297L81.8Confident83Confident1 Ų133.2 Ų33.21%0.00516%0.155CC..Hα-helixtrans-62.1-50-170.4-170.953.8000112.4L221 P265 L266 L269 Y289 E294 Q295 I300 T301L221-L297 HydrophobicContact CD1-CD2 3.49Å; L221-L297 VanDerWaalsContact CD1-CD2 3.49Å; L221-L297 HydrophobicContact CD2-CD2 4.3Å; L221-L297 HydrophobicContact CG-CD2 3.95Å; P265-L297 HydrophobicContact CB-CD2 3.91Å; P265-L297 HydrophobicContact CB-CG 3.87Å; L266-L297 HydrophobicContact CB-CD2 4.15Å; L269-L297 HydrophobicContact CB-CD1 3.64Å; L269-L297 HydrophobicContact CD1-CD1 3.53Å; L269-L297 HydrophobicContact CG-CD1 4.09Å; Y289-L297 HydrophobicContact CE2-CB 4.23Å; Y289-L297 HydrophobicContact CE2-CD1 4.2Å; Y289-L297 HydrophobicContact CE2-CD2 4.46Å; E294-L297 WeakPolarHBondContact O-CB 3.32Å; E294-L297 PolarHBondContact O-N 3.23Å; Q295-L297 VanDerWaalsContact C-N 3.34Å; L297-I300 PolarHBondContact O-N 3.38Å; L297-T301 WeakPolarHBondContact O-CB 3.44Å; L297-T301 PolarHBondContact O-N 2.63Å; L297-T301 PolarHBondContact O-OG1 3.25Å
298M78.6Confident81.7Confident52 Ų5235 Ų3526%0.25616%0.163SC..Hα-helixtrans-66.1-44.9178.6-66.2-47.2-5300113.3P265 A296 I300 T301 R302P265-M298 HydrophobicContact CB-SD 3.43Å; P265-M298 WeakPolarHBondContact CB-SD 3.14Å; P265-M298 HydrophobicContact CG-SD 3.43Å; P265-M298 WeakPolarHBondContact CG-SD 3.32Å; A296-M298 PolarHBondContact O-N 2.94Å; M298-I300 PolarHBondContact O-N 3.44Å; M298-T301 PolarHBondContact O-N 3.45Å; M298-R302 WeakPolarHBondContact O-CB 3.49Å; M298-R302 PolarHBondContact O-N 2.83Å
299P86Confident80.5Confident18 Ų1837.1 Ų37.112%0.11717%0.173CC..Hα-helixtrans-58.9-39.5171.3-30.840.3000114.5Q295 A296 I303 L343 M347 L350Q295-P299 VanDerWaalsContact O-CD 3.27Å; Q295-P299 WeakPolarHBondContact O-CD 3.33Å; A296-P299 WeakPolarHBondContact O-CD 3.3Å; P299-I303 WeakPolarHBondContact O-CB 3.32Å; P299-I303 WeakPolarHBondContact O-CG1 3.43Å; P299-I303 PolarHBondContact O-N 2.82Å; P299-I303 VanDerWaalsContact O-N 3.08Å; P299-L343 HydrophobicContact CB-CD1 3.55Å; P299-M347 HydrophobicContact CB-CG 4.42Å; P299-M347 HydrophobicContact CB-SD 4.16Å; P299-M347 HydrophobicContact CG-SD 3.73Å; P299-L350 HydrophobicContact CG-CD2 4.34Å
300I84.4Confident79.2Confident0 Ų040.8 Ų40.80%019%0.189CC..Hα-helixtrans-64.7-53.8175.2-69.7167.1000110.1L269 L285 A296 L297 M298 R302 I303 A304 L343L269-I300 HydrophobicContact CD1-CB 4.21Å; L269-I300 HydrophobicContact CD1-CD1 4.38Å; L269-I300 HydrophobicContact CD1-CG2 3.57Å; L285-I300 HydrophobicContact CB-CG2 4.13Å; L285-I300 HydrophobicContact CD1-CG2 4.12Å; L285-I300 HydrophobicContact CD2-CG1 4.19Å; L285-I300 HydrophobicContact CD2-CG2 4.09Å; L285-I300 HydrophobicContact CG-CG2 4.33Å; A296-I300 HydrophobicContact CB-CD1 3.88Å; A296-I300 HydrophobicContact CB-CG1 4.49Å; A296-I300 WeakPolarHBondContact O-CB 3.49Å; A296-I300 WeakPolarHBondContact O-CD1 3.41Å; A296-I300 WeakPolarHBondContact O-CG1 3.34Å; A296-I300 PolarHBondContact O-N 2.94Å; L297-I300 PolarHBondContact O-N 3.38Å; M298-I300 PolarHBondContact O-N 3.44Å; I300-R302 VanDerWaalsContact C-N 3.28Å; I300-R302 PolarHBondContact O-N 3.01Å; I300-I303 PolarHBondContact O-N 3.07Å; I300-A304 WeakPolarHBondContact O-CB 3.25Å; I300-A304 PolarHBondContact O-N 2.96Å; I300-L343 HydrophobicContact CD1-CD2 4.37Å; I300-L343 HydrophobicContact CG1-CD1 3.78Å; I300-L343 HydrophobicContact CG1-CD2 3.72Å; I300-L343 HydrophobicContact CG1-CG 4.43Å
301T76.5Confident77.6Confident3 Ų345.2 Ų45.22%0.01821%0.206CC..Hα-helixtrans-56.1-42.1179.5-68.60000111.5P265 C268 I272 L297 M298 I303 A304 F305P265-T301 PolarHBondContact O-OG1 2.87Å; C268-T301 HydrophobicContact CB-CG2 3.76Å; I272-T301 HydrophobicContact CD1-CG2 4.05Å; L297-T301 WeakPolarHBondContact O-CB 3.44Å; L297-T301 PolarHBondContact O-N 2.63Å; L297-T301 PolarHBondContact O-OG1 3.25Å; M298-T301 PolarHBondContact O-N 3.45Å; T301-I303 PolarHBondContact O-N 2.67Å; T301-A304 PolarHBondContact O-N 3.4Å; T301-F305 WeakPolarHBondContact O-CB 3.29Å; T301-F305 PolarHBondContact O-N 3.28Å
302R77.4Confident76Confident108 Ų10848.8 Ų48.841%0.40822%0.223SC..Hα-helixtrans-65.8-37.5175.9-170.6174.8-167.6178.47.6113.4S246 M298 I300 K306S246-R302 PolarHBondContact OG-NH2 3.14Å; M298-R302 WeakPolarHBondContact O-CB 3.49Å; M298-R302 PolarHBondContact O-N 2.83Å; I300-R302 VanDerWaalsContact C-N 3.28Å; I300-R302 PolarHBondContact O-N 3.01Å; R302-K306 WeakPolarHBondContact O-CG 3.38Å; R302-K306 PolarHBondContact O-N 3.45Å
303I79.3Confident74.4Confident16 Ų1649 Ų498%0.08223%0.228CC..Hα-helixtrans-70.6-44178-80.2174.8000110.5P299 I300 T301 K306 V307 V339 H342 L343P299-I303 WeakPolarHBondContact O-CB 3.32Å; P299-I303 WeakPolarHBondContact O-CG1 3.43Å; P299-I303 PolarHBondContact O-N 2.82Å; P299-I303 VanDerWaalsContact O-N 3.08Å; I300-I303 PolarHBondContact O-N 3.07Å; T301-I303 PolarHBondContact O-N 2.67Å; I303-K306 WeakPolarHBondContact O-CB 3.21Å; I303-K306 PolarHBondContact O-N 3.05Å; I303-V307 WeakPolarHBondContact O-CG2 3.31Å; I303-V307 PolarHBondContact O-N 3.28Å; I303-V339 HydrophobicContact CG2-CG1 3.45Å; I303-V339 VanDerWaalsContact CG2-CG1 3.45Å; I303-H342 HydrophobicContact CD1-CB 4.44Å; I303-L343 HydrophobicContact CD1-CB 3.6Å; I303-L343 HydrophobicContact CD1-CD1 3.88Å; I303-L343 HydrophobicContact CD1-CG 4.34Å
304A73.3Confident72.5Confident0 Ų051.6 Ų51.60%024%0.238CC..Hα-helixtrans-66.5-41.4178.700000112.9I272 I277 I300 T301 K306 V307 Q308I272-A304 HydrophobicContact CB-CB 4.01Å; I272-A304 HydrophobicContact CD1-CB 3.41Å; I272-A304 VanDerWaalsContact CD1-CB 3.41Å; I272-A304 HydrophobicContact CG1-CB 3.62Å; I272-A304 HydrophobicContact CG2-CB 3.25Å; I277-A304 HydrophobicContact CD1-CB 3.69Å; I300-A304 WeakPolarHBondContact O-CB 3.25Å; I300-A304 PolarHBondContact O-N 2.96Å; T301-A304 PolarHBondContact O-N 3.4Å; A304-K306 VanDerWaalsContact C-N 3.28Å; A304-K306 PolarHBondContact O-N 3.11Å; A304-V307 CarbonylContact O-C 3.58Å; A304-V307 WeakPolarHBondContact O-CA 3.44Å; A304-V307 WeakPolarHBondContact O-CB 3.48Å; A304-V307 PolarHBondContact O-N 2.98Å; A304-Q308 PolarHBondContact O-N 2.91Å
305F70.5Confident70.8Confident96 Ų9653.8 Ų53.842%0.42126%0.257SS..Hα-helixtrans-57.5-42.1170.9-174.5-94000111.3T301 V307 Q308 Q309T301-F305 WeakPolarHBondContact O-CB 3.29Å; T301-F305 PolarHBondContact O-N 3.28Å; F305-V307 VanDerWaalsContact C-N 3.29Å; F305-V307 PolarHBondContact O-N 3.33Å; F305-Q308 PolarHBondContact O-N 3.34Å; F305-Q309 HydrophobicContact CE1-CB 4.4Å; F305-Q309 VanDerWaalsContact O-CB 3.26Å; F305-Q309 WeakPolarHBondContact O-CB 3.31Å; F305-Q309 PolarHBondContact O-N 3.41Å
306K75.7Confident68.9Low104 Ų10452.3 Ų52.345%0.45226%0.26SS..Hα-helixtrans-63.8-30.5173.3-75.1175.3177.2-175.70113.5R302 I303 A304 K310R302-K306 WeakPolarHBondContact O-CG 3.38Å; R302-K306 PolarHBondContact O-N 3.45Å; I303-K306 WeakPolarHBondContact O-CB 3.21Å; I303-K306 PolarHBondContact O-N 3.05Å; A304-K306 VanDerWaalsContact C-N 3.28Å; A304-K306 PolarHBondContact O-N 3.11Å; K306-K310 WeakPolarHBondContact O-CB 3.38Å; K306-K310 WeakPolarHBondContact O-CD 3.34Å; K306-K310 WeakPolarHBondContact O-CG 3.36Å; K306-K310 PolarHBondContact O-N 2.85Å
307V69.6Low66.6Low18 Ų1861.4 Ų61.411%0.10929%0.294CS..Hα-helixtrans-72.9-45.9174171.70000110.3I277 I303 A304 F305 K310 R311 W332I277-V307 HydrophobicContact CD1-CB 4.48Å; I277-V307 HydrophobicContact CD1-CG1 4.39Å; I277-V307 HydrophobicContact CG1-CG1 4.25Å; I303-V307 WeakPolarHBondContact O-CG2 3.31Å; I303-V307 PolarHBondContact O-N 3.28Å; A304-V307 CarbonylContact O-C 3.58Å; A304-V307 WeakPolarHBondContact O-CA 3.44Å; A304-V307 WeakPolarHBondContact O-CB 3.48Å; A304-V307 PolarHBondContact O-N 2.98Å; F305-V307 VanDerWaalsContact C-N 3.29Å; F305-V307 PolarHBondContact O-N 3.33Å; V307-K310 PolarHBondContact O-N 2.85Å; V307-R311 PolarHBondContact O-N 2.97Å; V307-R311 VanDerWaalsContact O-N 3.15Å; V307-W332 HydrophobicContact CG2-CE3 4.41Å
308Q66.4Low64.4Low37 Ų3768.4 Ų68.417%0.17334%0.342CS..Hα-helixtrans-64.1-49177.4-74.2177.9-43.700112.4A304 F305 K310 R311 L312A304-Q308 PolarHBondContact O-N 2.91Å; F305-Q308 PolarHBondContact O-N 3.34Å; Q308-K310 PolarHBondContact O-N 3.04Å; Q308-R311 CarbonylContact O-C 3.57Å; Q308-R311 WeakPolarHBondContact O-CA 3.41Å; Q308-R311 WeakPolarHBondContact O-CB 3.16Å; Q308-R311 PolarHBondContact O-N 3.02Å; Q308-L312 PolarHBondContact O-N 3.23Å
309Q67.2Low62.9Low45 Ų4567.7 Ų67.721%0.2135%0.347CS..Hα-helixtrans-58-37.9178.8-166.9-16914.200111.7F305 T313F305-Q309 HydrophobicContact CE1-CB 4.4Å; F305-Q309 VanDerWaalsContact O-CB 3.26Å; F305-Q309 WeakPolarHBondContact O-CB 3.31Å; F305-Q309 PolarHBondContact O-N 3.41Å; Q309-T313 WeakPolarHBondContact O-CB 3.39Å; Q309-T313 WeakPolarHBondContact O-CG2 3.45Å; Q309-T313 PolarHBondContact O-N 2.96Å; Q309-T313 PolarHBondContact O-OG1 3.37Å
310K63.6Low61Low76 Ų7671.7 Ų71.733%0.3337%0.373SS..Hα-helixtrans-70-26.4173.7-74.3177.7179.9-175.70113.8K306 V307 Q308 T313 V329K306-K310 WeakPolarHBondContact O-CB 3.38Å; K306-K310 WeakPolarHBondContact O-CD 3.34Å; K306-K310 WeakPolarHBondContact O-CG 3.36Å; K306-K310 PolarHBondContact O-N 2.85Å; V307-K310 PolarHBondContact O-N 2.85Å; Q308-K310 PolarHBondContact O-N 3.04Å; K310-T313 WeakPolarHBondContact CA-OG1 3.48Å; K310-T313 PolarHBondContact O-OG1 3.27Å; K310-V329 HydrophobicContact CB-CG2 4Å; K310-V329 WeakPolarHBondContact O-CG2 3.5Å
311R58.4Low58.8Low95 Ų9579.4 Ų79.436%0.35840%0.402SS..Hα-helixtrans-75.4-47.9170.4-71.1178.9175.5-152.4-4111G276 V307 Q308 T313 K314G276-R311 WeakPolarHBondContact O-CD 3.41Å; G276-R311 PolarHBondContact O-NE 3.48Å; G276-R311 PolarHBondContact O-NH1 3.4Å; V307-R311 PolarHBondContact O-N 2.97Å; V307-R311 VanDerWaalsContact O-N 3.15Å; Q308-R311 CarbonylContact O-C 3.57Å; Q308-R311 WeakPolarHBondContact O-CA 3.41Å; Q308-R311 WeakPolarHBondContact O-CB 3.16Å; Q308-R311 PolarHBondContact O-N 3.02Å; R311-T313 VanDerWaalsContact C-N 3.32Å; R311-T313 PolarHBondContact O-N 3.22Å; R311-K314 VanDerWaalsContact O-CB 3.3Å; R311-K314 WeakPolarHBondContact O-CB 3.46Å; R311-K314 PolarHBondContact O-N 2.8Å
312L56.7Low57Low100 Ų10080.4 Ų80.452%0.52441%0.411SS..Hα-helixtrans-61.8-37.8179.9-68.2173000112.8Q308 K314 T315 S316Q308-L312 PolarHBondContact O-N 3.23Å; L312-K314 PolarHBondContact O-N 3.04Å; L312-T315 PolarHBondContact O-N 2.99Å; L312-S316 PolarHBondContact O-N 3.14Å
313T55.7Low55.1Low53 Ų5384.5 Ų84.533%0.32543%0.427SS..Hα-helixtrans-68.4-10.9174.345.80000114.5Q309 K310 R311Q309-T313 WeakPolarHBondContact O-CB 3.39Å; Q309-T313 WeakPolarHBondContact O-CG2 3.45Å; Q309-T313 PolarHBondContact O-N 2.96Å; Q309-T313 PolarHBondContact O-OG1 3.37Å; K310-T313 WeakPolarHBondContact CA-OG1 3.48Å; K310-T313 PolarHBondContact O-OG1 3.27Å; R311-T313 VanDerWaalsContact C-N 3.32Å; R311-T313 PolarHBondContact O-N 3.22Å
314K46.8Very low53Low59 Ų5988.7 Ų88.726%0.25744%0.444SS..Hα-helixtrans-74-34.9165.4-71.2-165.7174.2-164.20112.4R311 L312 C325 N326 V329 D330R311-K314 VanDerWaalsContact O-CB 3.3Å; R311-K314 WeakPolarHBondContact O-CB 3.46Å; R311-K314 PolarHBondContact O-N 2.8Å; L312-K314 PolarHBondContact O-N 3.04Å; K314-C325 HydrophobicContact CG-CB 4.39Å; K314-N326 VanDerWaalsContact CD-OD1 3.29Å; K314-N326 WeakPolarHBondContact CD-OD1 3.38Å; K314-N326 WeakPolarHBondContact CE-OD1 3.33Å; K314-N326 PolarHBondContact NZ-OD1 3.25Å; K314-V329 HydrophobicContact CD-CB 4.48Å; K314-V329 HydrophobicContact CD-CG1 4.48Å; K314-V329 HydrophobicContact CD-CG2 4.44Å; K314-V329 VanDerWaalsContact CE-CG1 3.49Å; K314-V329 HydrophobicContact CG-CG2 4.4Å; K314-D330 IonicContact NZ-OD1 3.24Å; K314-D330 PolarHBondContact NZ-OD1 3.34Å
315T48.3Very low51Low126 Ų12689.5 Ų89.577%0.77345%0.45SS*.Hα-helixtrans-83.8-27.8-169.4-460000112.7L312L312-T315 PolarHBondContact O-N 2.99Å
316S45Very low49.4Very low91 Ų9187.9 Ų87.964%0.63645%0.446SS*.SBendtrans-95.81-167.462.20000117.1L312L312-S316 PolarHBondContact O-N 3.14Å
317R37.7Very low47.2Very low192 Ų19292.4 Ų92.473%0.72546%0.46SS*.  trans-143.2104.9176.1-72-167.9171179.7-4.4113.5G319R317-G319 PolarHBondContact O-N 3.45Å
318C34.3Very low45.3Very low148 Ų14896.3 Ų96.3100%148%0.476SS*.  trans-71.6116.4168.5-163.30000109.6
319G48.2Very low44Very low36 Ų3695.3 Ų95.337%0.37147%0.472SS..SBendtrans162.8174.1-17900000113R317 W321 A322R317-G319 PolarHBondContact O-N 3.45Å; G319-W321 PolarHBondContact O-N 3.46Å; G319-A322 WeakPolarHBondContact O-CB 3.28Å; G319-A322 PolarHBondContact O-N 3.25Å
320P45.8Very low42.8Very low103 Ų10397.2 Ų97.267%0.66948%0.484SS*.THydrogen-bonded Turntrans-55.2-27.2-175.7-2835.9000114.8A322 R323P320-A322 PolarHBondContact O-N 2.99Å; P320-R323 PolarHBondContact O-N 3.42Å; P320-R323 VanDerWaalsContact O-N 3.11Å
321W37.2Very low41.5Very low161 Ų16197.4 Ų97.461%0.6149%0.491SS*.Hα-helixtrans-58.4-31.3175-165.9-109.8000113.4G319 R323 F324 C325G319-W321 PolarHBondContact O-N 3.46Å; W321-R323 VanDerWaalsContact C-N 3.26Å; W321-R323 PolarHBondContact O-N 3.48Å; W321-F324 HydrophobicContact CE3-CB 4.41Å; W321-F324 HydrophobicContact CE3-CD1 4.31Å; W321-F324 AromaticContact CH2-CD1 3.79Å; W321-F324 HydrophobicContact CH2-CD1 3.79Å; W321-F324 AromaticContact CH2-CE1 3.9Å; W321-F324 HydrophobicContact CH2-CE1 3.9Å; W321-F324 HydrophobicContact CZ2-CD1 4.14Å; W321-F324 HydrophobicContact CZ2-CE1 4.44Å; W321-F324 AromaticContact CZ3-CD1 3.89Å; W321-F324 HydrophobicContact CZ3-CD1 3.89Å; W321-F324 HydrophobicContact CZ3-CE1 4.25Å; W321-F324 HydrophobicContact CZ3-CG 4.37Å; W321-F324 WeakPolarHBondContact O-CB 3.14Å; W321-F324 PolarHBondContact O-N 2.98Å; W321-C325 PolarHBondContact NE1-SG 2.85Å; W321-C325 VanDerWaalsContact NE1-SG 3.39Å; W321-C325 PolarHBondContact O-N 2.92Å
322A38.7Very low40.8Very low25 Ų2595.5 Ų95.521%0.20748%0.484CS..Hα-helixtrans-59.8-35.1175.700000112.2G319 P320 C325 N326G319-A322 WeakPolarHBondContact O-CB 3.28Å; G319-A322 PolarHBondContact O-N 3.25Å; P320-A322 PolarHBondContact O-N 2.99Å; A322-C325 PolarHBondContact O-N 3.48Å; A322-N326 WeakPolarHBondContact O-CB 3.46Å; A322-N326 PolarHBondContact O-N 3.47Å; A322-N326 PolarHBondContact O-ND2 2.89Å
323R38.1Very low40.4Very low193 Ų19393.1 Ų93.173%0.72848%0.479SS*.Hα-helixtrans-67.4-35.1174.6-70.5-170.4-78.5-161.2-4.4112.3P320 W321 R327P320-R323 PolarHBondContact O-N 3.42Å; P320-R323 VanDerWaalsContact O-N 3.11Å; W321-R323 VanDerWaalsContact C-N 3.26Å; W321-R323 PolarHBondContact O-N 3.48Å; R323-R327 PolarHBondContact O-N 3.41Å
324F35.4Very low40.4Very low104 Ų10498.7 Ų98.746%0.45649%0.494SS..Hα-helixtrans-70.5-46.5175-169.2-100.9000111.5W321 N326 R327 F328W321-F324 HydrophobicContact CE3-CB 4.41Å; W321-F324 HydrophobicContact CE3-CD1 4.31Å; W321-F324 AromaticContact CH2-CD1 3.79Å; W321-F324 HydrophobicContact CH2-CD1 3.79Å; W321-F324 AromaticContact CH2-CE1 3.9Å; W321-F324 HydrophobicContact CH2-CE1 3.9Å; W321-F324 HydrophobicContact CZ2-CD1 4.14Å; W321-F324 HydrophobicContact CZ2-CE1 4.44Å; W321-F324 AromaticContact CZ3-CD1 3.89Å; W321-F324 HydrophobicContact CZ3-CD1 3.89Å; W321-F324 HydrophobicContact CZ3-CE1 4.25Å; W321-F324 HydrophobicContact CZ3-CG 4.37Å; W321-F324 WeakPolarHBondContact O-CB 3.14Å; W321-F324 PolarHBondContact O-N 2.98Å; F324-N326 VanDerWaalsContact C-N 3.3Å; F324-N326 PolarHBondContact O-N 3.04Å; F324-R327 PolarHBondContact O-N 3.21Å; F324-F328 HydrophobicContact CD1-CD2 4.21Å; F324-F328 HydrophobicContact CD1-CE2 4.3Å; F324-F328 AromaticContact CE1-CD2 3.95Å; F324-F328 HydrophobicContact CE1-CD2 3.95Å; F324-F328 AromaticContact CE1-CE2 3.66Å; F324-F328 HydrophobicContact CE1-CE2 3.66Å; F324-F328 AromaticContact CE2-CE2 3.98Å; F324-F328 HydrophobicContact CE2-CE2 3.98Å; F324-F328 HydrophobicContact CZ-CD2 4.2Å; F324-F328 AromaticContact CZ-CE2 3.49Å; F324-F328 HydrophobicContact CZ-CE2 3.49Å; F324-F328 VanDerWaalsContact CZ-CE2 3.49Å; F324-F328 HydrophobicContact CZ-CZ 4.38Å; F324-F328 PolarHBondContact O-N 3.47Å
325C32.6Very low41.6Very low18 Ų1897.9 Ų97.912%0.12249%0.492CS..Hα-helixtrans-61.3-35.1173.5-73.90000112.9K314 W321 A322 F328 V329K314-C325 HydrophobicContact CG-CB 4.39Å; W321-C325 PolarHBondContact NE1-SG 2.85Å; W321-C325 VanDerWaalsContact NE1-SG 3.39Å; W321-C325 PolarHBondContact O-N 2.92Å; A322-C325 PolarHBondContact O-N 3.48Å; C325-F328 PolarHBondContact O-N 3.22Å; C325-V329 WeakPolarHBondContact O-CG2 3.45Å; C325-V329 PolarHBondContact O-N 2.93Å
326N36.5Very low43.1Very low62 Ų6293.7 Ų93.733%0.33246%0.464SS..Hα-helixtrans-58-56.3172.6-78.7-22.7000111.4K314 A322 F324 F328 V329 D330K314-N326 VanDerWaalsContact CD-OD1 3.29Å; K314-N326 WeakPolarHBondContact CD-OD1 3.38Å; K314-N326 WeakPolarHBondContact CE-OD1 3.33Å; K314-N326 PolarHBondContact NZ-OD1 3.25Å; A322-N326 WeakPolarHBondContact O-CB 3.46Å; A322-N326 PolarHBondContact O-N 3.47Å; A322-N326 PolarHBondContact O-ND2 2.89Å; F324-N326 VanDerWaalsContact C-N 3.3Å; F324-N326 PolarHBondContact O-N 3.04Å; N326-F328 PolarHBondContact O-N 3.3Å; N326-F328 VanDerWaalsContact O-N 3.13Å; N326-V329 PolarHBondContact O-N 3.35Å; N326-V329 VanDerWaalsContact O-N 3.07Å; N326-D330 WeakPolarHBondContact O-CB 3.34Å; N326-D330 PolarHBondContact O-N 3.49Å
327R29.2Very low45Very low198 Ų19892 Ų9275%0.74745%0.448SS*.Hα-helixtrans-53.1-40-179.8-166.5175.4-176.5-178.21.1112.9R323 F324 T331R323-R327 PolarHBondContact O-N 3.41Å; F324-R327 PolarHBondContact O-N 3.21Å; R327-T331 PolarHBondContact O-N 2.88Å; R327-T331 PolarHBondContact O-OG1 3.18Å
328F30.6Very low47.3Very low101 Ų10184.3 Ų84.344%0.44342%0.423SS..Hα-helixtrans-73-46.2175.7-84.4-81000113.5F324 C325 N326 D330 T331 W332F324-F328 HydrophobicContact CD1-CD2 4.21Å; F324-F328 HydrophobicContact CD1-CE2 4.3Å; F324-F328 AromaticContact CE1-CD2 3.95Å; F324-F328 HydrophobicContact CE1-CD2 3.95Å; F324-F328 AromaticContact CE1-CE2 3.66Å; F324-F328 HydrophobicContact CE1-CE2 3.66Å; F324-F328 AromaticContact CE2-CE2 3.98Å; F324-F328 HydrophobicContact CE2-CE2 3.98Å; F324-F328 HydrophobicContact CZ-CD2 4.2Å; F324-F328 AromaticContact CZ-CE2 3.49Å; F324-F328 HydrophobicContact CZ-CE2 3.49Å; F324-F328 VanDerWaalsContact CZ-CE2 3.49Å; F324-F328 HydrophobicContact CZ-CZ 4.38Å; F324-F328 PolarHBondContact O-N 3.47Å; C325-F328 PolarHBondContact O-N 3.22Å; N326-F328 PolarHBondContact O-N 3.3Å; N326-F328 VanDerWaalsContact O-N 3.13Å; F328-D330 VanDerWaalsContact C-N 3.3Å; F328-D330 PolarHBondContact O-N 3.09Å; F328-T331 WeakPolarHBondContact O-CB 3.32Å; F328-T331 PolarHBondContact O-N 3.11Å; F328-T331 VanDerWaalsContact O-N 3.14Å; F328-W332 VanDerWaalsContact O-CD1 3.27Å; F328-W332 PolarHBondContact O-N 3.24Å
329V38.5Very low49.7Very low15 Ų1577.3 Ų77.39%0.09138%0.375CS..Hα-helixtrans-66.9-33.5-179.21700000111.9K310 K314 C325 N326 T331 W332 A333K310-V329 HydrophobicContact CB-CG2 4Å; K310-V329 WeakPolarHBondContact O-CG2 3.5Å; K314-V329 HydrophobicContact CD-CB 4.48Å; K314-V329 HydrophobicContact CD-CG1 4.48Å; K314-V329 HydrophobicContact CD-CG2 4.44Å; K314-V329 VanDerWaalsContact CE-CG1 3.49Å; K314-V329 HydrophobicContact CG-CG2 4.4Å; C325-V329 WeakPolarHBondContact O-CG2 3.45Å; C325-V329 PolarHBondContact O-N 2.93Å; N326-V329 PolarHBondContact O-N 3.35Å; N326-V329 VanDerWaalsContact O-N 3.07Å; V329-T331 PolarHBondContact O-N 3.31Å; V329-W332 CarbonylContact O-C 3.45Å; V329-W332 PolarHBondContact O-N 3.14Å; V329-A333 WeakPolarHBondContact O-CB 3.07Å; V329-A333 PolarHBondContact O-N 3.35Å
330D41.1Very low51.7Low85 Ų8575.7 Ų75.746%0.45536%0.358SS..Hα-helixtrans-65.2-29176.4-57-13.5000111K314 N326 F328K314-D330 IonicContact NZ-OD1 3.24Å; K314-D330 PolarHBondContact NZ-OD1 3.34Å; N326-D330 WeakPolarHBondContact O-CB 3.34Å; N326-D330 PolarHBondContact O-N 3.49Å; F328-D330 VanDerWaalsContact C-N 3.3Å; F328-D330 PolarHBondContact O-N 3.09Å
331T35.9Very low53.8Low80 Ų8076.7 Ų76.749%0.49135%0.352SS..Hα-helixtrans-65.6-35.5170.7-49.90000112R327 F328 V329 D335R327-T331 PolarHBondContact O-N 2.88Å; R327-T331 PolarHBondContact O-OG1 3.18Å; F328-T331 WeakPolarHBondContact O-CB 3.32Å; F328-T331 PolarHBondContact O-N 3.11Å; F328-T331 VanDerWaalsContact O-N 3.14Å; V329-T331 PolarHBondContact O-N 3.31Å; T331-D335 WeakPolarHBondContact O-CB 3.42Å
332W44.9Very low56.2Low56 Ų5673.3 Ų73.321%0.21234%0.342CS..Hα-helixtrans-91.7-28-177.8-73.172.7000113.3V307 F328 V329 R334 V339 H342V307-W332 HydrophobicContact CG2-CE3 4.41Å; F328-W332 VanDerWaalsContact O-CD1 3.27Å; F328-W332 PolarHBondContact O-N 3.24Å; V329-W332 CarbonylContact O-C 3.45Å; V329-W332 PolarHBondContact O-N 3.14Å; W332-R334 VanDerWaalsContact C-N 3.28Å; W332-R334 PolarHBondContact O-N 3.06Å; W332-V339 HydrophobicContact CE3-CG2 3.77Å; W332-V339 HydrophobicContact CZ3-CB 4.47Å; W332-V339 HydrophobicContact CZ3-CG2 4.01Å; W332-H342 HydrophobicContact CH2-CB 4.48Å; W332-H342 AromaticContact CH2-CE1 3.71Å; W332-H342 AromaticContact CH2-CG 3.87Å; W332-H342 AromaticContact CH2-ND1 3.55Å; W332-H342 AromaticContact CZ2-CE1 3.94Å
333A48Very low58.6Low50 Ų5072.1 Ų72.141%0.41333%0.333SS..Hα-helixtrans-73.9-16.9177.900000113.5V329V329-A333 WeakPolarHBondContact O-CB 3.07Å; V329-A333 PolarHBondContact O-N 3.35Å
334R54.9Low61.2Low170 Ų17065.8 Ų65.864%0.64231%0.309SS*.THydrogen-bonded Turntrans-120.110.1-179.5-68.8-175.3174.9-100.27.7114.7R63 E64 W332R63-R334 PolarHBondContact NH2-O 2.62Å; E64-R334 IonicContact OE1-NH1 3.4Å; W332-R334 VanDerWaalsContact C-N 3.28Å; W332-R334 PolarHBondContact O-N 3.06Å
335D72.7Confident63.8Low41 Ų4163.2 Ų63.222%0.21931%0.306CS..  trans-139.567.5179.9-164.6-0.6000113.1T331 D337 T338 V339T331-D335 WeakPolarHBondContact O-CB 3.42Å; D335-D337 PolarHBondContact O-N 2.77Å; D335-D337 WeakPolarHBondContact OD1-CB 3.48Å; D335-D337 PolarHBondContact OD1-N 3.06Å; D335-T338 PolarHBondContact O-N 3.44Å; D335-T338 PolarHBondContact OD1-N 3.37Å; D335-T338 PolarHBondContact OD1-OG1 3.19Å; D335-T338 WeakPolarHBondContact OD2-CB 3.37Å; D335-T338 PolarHBondContact OD2-OG1 2.97Å; D335-V339 PolarHBondContact O-N 3.2Å
336E80Confident66.4Low39 Ų3964.8 Ų64.818%0.18232%0.318CS..Hα-helixtrans-53.3-36.3171-54.8-175.3163.400112.1G280 L281 R284 T338 V339 L340G280-E336 VanDerWaalsContact C-OE1 3.28Å; G280-E336 WeakPolarHBondContact CA-OE1 3.24Å; L281-E336 HydrophobicContact CB-CG 4.14Å; L281-E336 HydrophobicContact CD1-CB 4.33Å; L281-E336 PolarHBondContact N-OE1 2.94Å; R284-E336 WeakPolarHBondContact CD-OE2 3.43Å; R284-E336 IonicContact NH1-OE2 3.63Å; E336-T338 VanDerWaalsContact C-N 3.27Å; E336-T338 PolarHBondContact O-N 2.75Å; E336-V339 WeakPolarHBondContact O-CB 3.41Å; E336-V339 PolarHBondContact O-N 3.35Å; E336-V339 VanDerWaalsContact O-N 3.09Å; E336-L340 VanDerWaalsContact O-CD2 3.23Å; E336-L340 WeakPolarHBondContact O-CD2 3.29Å; E336-L340 PolarHBondContact O-N 3.1Å
337D85.1Confident68.9Low54 Ų5462.2 Ų62.229%0.28930%0.304SS..Hα-helixtrans-60.6-37.2176.1-92.2-7.6000111.8R284 D335 K341R284-D337 IonicContact CZ-OD1 2.74Å; R284-D337 VanDerWaalsContact CZ-OD1 3.26Å; R284-D337 IonicContact NH1-OD1 3.66Å; R284-D337 PolarHBondContact NH1-OD1 3.01Å; R284-D337 IonicContact NH2-OD1 2.71Å; R284-D337 PolarHBondContact NH2-OD1 3.25Å; D335-D337 PolarHBondContact O-N 2.77Å; D335-D337 WeakPolarHBondContact OD1-CB 3.48Å; D335-D337 PolarHBondContact OD1-N 3.06Å; D337-K341 WeakPolarHBondContact O-CB 3.26Å; D337-K341 WeakPolarHBondContact O-CE 3.32Å; D337-K341 WeakPolarHBondContact O-CG 3.39Å; D337-K341 PolarHBondContact O-N 3.1Å
338T85.2Confident71.7Confident32 Ų3258.6 Ų58.620%0.19629%0.293CS..Hα-helixtrans-72.6-33.1173.6-72.10000112.6D335 E336 K341 H342D335-T338 PolarHBondContact O-N 3.44Å; D335-T338 PolarHBondContact OD1-N 3.37Å; D335-T338 PolarHBondContact OD1-OG1 3.19Å; D335-T338 WeakPolarHBondContact OD2-CB 3.37Å; D335-T338 PolarHBondContact OD2-OG1 2.97Å; E336-T338 VanDerWaalsContact C-N 3.27Å; E336-T338 PolarHBondContact O-N 2.75Å; T338-K341 PolarHBondContact O-N 3.02Å; T338-K341 PolarHBondContact OG1-NZ 2.82Å; T338-H342 PolarHBondContact O-N 2.57Å; T338-H342 VanDerWaalsContact O-N 3.09Å; T338-H342 PolarHBondContact O-ND1 3.35Å
339V85.3Confident74.3Confident1 Ų160.9 Ų60.91%0.00630%0.303CS..Hα-helixtrans-59.2-50.5169.4-173.10000110.6L281 I303 W332 D335 E336 K341 H342 L343L281-V339 HydrophobicContact CD1-CB 4.03Å; L281-V339 HydrophobicContact CD1-CG1 3.95Å; L281-V339 HydrophobicContact CD1-CG2 4.39Å; L281-V339 HydrophobicContact CD2-CB 4.43Å; L281-V339 HydrophobicContact CD2-CG1 4.18Å; L281-V339 HydrophobicContact CD2-CG2 4.02Å; I303-V339 HydrophobicContact CG2-CG1 3.45Å; I303-V339 VanDerWaalsContact CG2-CG1 3.45Å; W332-V339 HydrophobicContact CE3-CG2 3.77Å; W332-V339 HydrophobicContact CZ3-CB 4.47Å; W332-V339 HydrophobicContact CZ3-CG2 4.01Å; D335-V339 PolarHBondContact O-N 3.2Å; E336-V339 WeakPolarHBondContact O-CB 3.41Å; E336-V339 PolarHBondContact O-N 3.35Å; E336-V339 VanDerWaalsContact O-N 3.09Å; V339-K341 PolarHBondContact O-N 3.42Å; V339-H342 WeakPolarHBondContact O-CB 3.25Å; V339-H342 PolarHBondContact O-N 3.09Å; V339-H342 VanDerWaalsContact O-N 3.12Å; V339-L343 PolarHBondContact O-N 3.02Å
340L89.7Confident76.3Confident2 Ų263.4 Ų63.41%0.0132%0.316CS..Hα-helixtrans-69.7-29.2-178-83.9-55.4000112.8Y99 L281 R284 L285 V288 E336 L343 R344Y99-L340 HydrophobicContact CD1-CD1 4.28Å; L281-L340 HydrophobicContact CD1-CD2 3.55Å; R284-L340 HydrophobicContact CB-CD2 4.03Å; L285-L340 HydrophobicContact CD2-CD1 4.22Å; V288-L340 HydrophobicContact CG2-CD1 3.79Å; E336-L340 VanDerWaalsContact O-CD2 3.23Å; E336-L340 WeakPolarHBondContact O-CD2 3.29Å; E336-L340 PolarHBondContact O-N 3.1Å; L340-L343 HydrophobicContact CD1-CB 4.48Å; L340-L343 HydrophobicContact CD1-CD2 3.71Å; L340-L343 PolarHBondContact O-N 3.33Å; L340-R344 WeakPolarHBondContact O-CB 3.19Å; L340-R344 PolarHBondContact O-N 2.98Å
341K90.2Very high78.1Confident123 Ų12363.6 Ų63.654%0.53532%0.32SS..Hα-helixtrans-61.9-45.1167.2-74.4166-146.2152.80111.8D337 T338 V339 R344 A345D337-K341 WeakPolarHBondContact O-CB 3.26Å; D337-K341 WeakPolarHBondContact O-CE 3.32Å; D337-K341 WeakPolarHBondContact O-CG 3.39Å; D337-K341 PolarHBondContact O-N 3.1Å; T338-K341 PolarHBondContact O-N 3.02Å; T338-K341 PolarHBondContact OG1-NZ 2.82Å; V339-K341 PolarHBondContact O-N 3.42Å; K341-R344 PolarHBondContact O-N 3.41Å; K341-A345 WeakPolarHBondContact O-CB 3.46Å; K341-A345 PolarHBondContact O-N 3.22Å
342H88.2Confident80Confident90 Ų9068.8 Ų68.842%0.41733%0.331SS..Hα-helixtrans-65.9-38177.2-75.890.5000112I303 W332 T338 V339 A345 S346I303-H342 HydrophobicContact CD1-CB 4.44Å; W332-H342 HydrophobicContact CH2-CB 4.48Å; W332-H342 AromaticContact CH2-CE1 3.71Å; W332-H342 AromaticContact CH2-CG 3.87Å; W332-H342 AromaticContact CH2-ND1 3.55Å; W332-H342 AromaticContact CZ2-CE1 3.94Å; T338-H342 PolarHBondContact O-N 2.57Å; T338-H342 VanDerWaalsContact O-N 3.09Å; T338-H342 PolarHBondContact O-ND1 3.35Å; V339-H342 WeakPolarHBondContact O-CB 3.25Å; V339-H342 PolarHBondContact O-N 3.09Å; V339-H342 VanDerWaalsContact O-N 3.12Å; H342-A345 PolarHBondContact O-N 3.34Å; H342-S346 WeakPolarHBondContact O-CB 3.27Å; H342-S346 PolarHBondContact O-N 3.27Å; H342-S346 PolarHBondContact O-OG 2.84Å
343L89.5Confident81.1Confident0 Ų073.4 Ų73.40%035%0.353CS..Hα-helixtrans-60-52.5172.1-178.562000110.6Y99 L285 V288 P299 I300 I303 V339 L340 A345 S346 M347Y99-L343 HydrophobicContact CE1-CB 4.33Å; Y99-L343 HydrophobicContact CE1-CD2 4.04Å; Y99-L343 HydrophobicContact CE1-CG 3.99Å; L285-L343 HydrophobicContact CD2-CD2 4.02Å; V288-L343 HydrophobicContact CB-CD2 4.38Å; V288-L343 HydrophobicContact CG1-CD2 3.89Å; P299-L343 HydrophobicContact CB-CD1 3.55Å; I300-L343 HydrophobicContact CD1-CD2 4.37Å; I300-L343 HydrophobicContact CG1-CD1 3.78Å; I300-L343 HydrophobicContact CG1-CD2 3.72Å; I300-L343 HydrophobicContact CG1-CG 4.43Å; I303-L343 HydrophobicContact CD1-CB 3.6Å; I303-L343 HydrophobicContact CD1-CD1 3.88Å; I303-L343 HydrophobicContact CD1-CG 4.34Å; V339-L343 PolarHBondContact O-N 3.02Å; L340-L343 HydrophobicContact CD1-CB 4.48Å; L340-L343 HydrophobicContact CD1-CD2 3.71Å; L340-L343 PolarHBondContact O-N 3.33Å; L343-A345 VanDerWaalsContact C-N 3.29Å; L343-A345 PolarHBondContact O-N 3.1Å; L343-S346 WeakPolarHBondContact O-CA 3.29Å; L343-S346 WeakPolarHBondContact O-CB 2.96Å; L343-S346 PolarHBondContact O-N 3.29Å; L343-M347 HydrophobicContact CD1-CG 4.38Å; L343-M347 WeakPolarHBondContact O-CG 3.38Å; L343-M347 PolarHBondContact O-N 3.33Å
344R91.5Very high81.6Confident61 Ų6177.2 Ų77.223%0.2336%0.362CS..Hα-helixtrans-60.4-36.5179.7-162.3173.1179.8-158.5-10.7113.1D96 Y99 L340 K341 K348D96-R344 IonicContact OD1-CZ 3.62Å; D96-R344 IonicContact OD1-NH2 3Å; D96-R344 PolarHBondContact OD1-NH2 3.26Å; D96-R344 IonicContact OD2-CZ 3.7Å; D96-R344 IonicContact OD2-NH1 2.73Å; D96-R344 IonicContact OD2-NH2 3.68Å; D96-R344 PolarHBondContact OD2-NH2 3.06Å; Y99-R344 HydrophobicContact CD1-CB 3.63Å; Y99-R344 HydrophobicContact CD1-CG 4Å; Y99-R344 HydrophobicContact CD2-CG 3.97Å; Y99-R344 HydrophobicContact CE1-CB 3.59Å; Y99-R344 HydrophobicContact CE1-CG 4Å; Y99-R344 HydrophobicContact CE2-CB 4.49Å; Y99-R344 HydrophobicContact CE2-CG 3.99Å; Y99-R344 HydrophobicContact CG-CB 4.12Å; Y99-R344 HydrophobicContact CG-CG 3.99Å; L340-R344 WeakPolarHBondContact O-CB 3.19Å; L340-R344 PolarHBondContact O-N 2.98Å; K341-R344 PolarHBondContact O-N 3.41Å; R344-K348 WeakPolarHBondContact O-CB 3.44Å; R344-K348 WeakPolarHBondContact O-CG 3.29Å; R344-K348 PolarHBondContact O-N 2.86Å
345A90.2Very high81.5Confident49 Ų4972.1 Ų72.141%0.40536%0.362SS..Hα-helixtrans-69-34.5174.100000112.4K341 H342 L343 K349K341-A345 WeakPolarHBondContact O-CB 3.46Å; K341-A345 PolarHBondContact O-N 3.22Å; H342-A345 PolarHBondContact O-N 3.34Å; L343-A345 VanDerWaalsContact C-N 3.29Å; L343-A345 PolarHBondContact O-N 3.1Å; A345-K349 WeakPolarHBondContact O-CG 3.28Å; A345-K349 PolarHBondContact O-N 2.93Å
346S87.4Confident80.6Confident51 Ų5176.4 Ų76.436%0.35739%0.385SS..Hα-helixtrans-70.6-44.4176-560000111.2H342 L343 K349 L350H342-S346 WeakPolarHBondContact O-CB 3.27Å; H342-S346 PolarHBondContact O-N 3.27Å; H342-S346 PolarHBondContact O-OG 2.84Å; L343-S346 WeakPolarHBondContact O-CA 3.29Å; L343-S346 WeakPolarHBondContact O-CB 2.96Å; L343-S346 PolarHBondContact O-N 3.29Å; S346-K349 WeakPolarHBondContact O-CB 3.4Å; S346-K349 PolarHBondContact O-N 3.22Å; S346-K349 VanDerWaalsContact O-N 3.1Å; S346-L350 PolarHBondContact O-N 3.44Å
347M89Confident78.7Confident8 Ų879.6 Ų79.64%0.03940%0.403CS..Hα-helixtrans-58.8-48.8174.7-73.6-69.7-76.600111.7Y99 E292 Q295 A296 P299 L343 K349 L350 T351Y99-M347 WeakPolarHBondContact OH-CG 3.33Å; E292-M347 HydrophobicContact CB-CE 4.02Å; E292-M347 HydrophobicContact CG-CE 4.21Å; E292-M347 WeakPolarHBondContact OE1-CE 3.41Å; Q295-M347 HydrophobicContact CB-CE 4.25Å; A296-M347 HydrophobicContact CB-CE 3.93Å; A296-M347 HydrophobicContact CB-SD 4.24Å; P299-M347 HydrophobicContact CB-CG 4.42Å; P299-M347 HydrophobicContact CB-SD 4.16Å; P299-M347 HydrophobicContact CG-SD 3.73Å; L343-M347 HydrophobicContact CD1-CG 4.38Å; L343-M347 WeakPolarHBondContact O-CG 3.38Å; L343-M347 PolarHBondContact O-N 3.33Å; M347-K349 PolarHBondContact O-N 3.16Å; M347-K349 VanDerWaalsContact O-N 3.15Å; M347-L350 WeakPolarHBondContact O-CA 3.41Å; M347-L350 WeakPolarHBondContact O-CB 3.29Å; M347-L350 PolarHBondContact O-N 2.93Å; M347-T351 PolarHBondContact O-N 3.33Å; M347-T351 PolarHBondContact O-OG1 2.81Å; M347-T351 VanDerWaalsContact O-OG1 3.06Å
348K88.1Confident76.4Confident122 Ų12282.1 Ų82.153%0.5342%0.422SS..Hα-helixtrans-57.8-29.6174.3-76179.8177.7-171.30114.2R344 R352R344-K348 WeakPolarHBondContact O-CB 3.44Å; R344-K348 WeakPolarHBondContact O-CG 3.29Å; R344-K348 PolarHBondContact O-N 2.86Å; K348-R352 WeakPolarHBondContact O-CG 3.37Å; K348-R352 PolarHBondContact O-N 3.37Å
349K85.7Confident74.2Confident149 Ų14986.1 Ų86.165%0.64845%0.449SS*.Hα-helixtrans-75.1-36.4174.3-73.5176.3179.4-171.90111.7A345 S346 M347 K353A345-K349 WeakPolarHBondContact O-CG 3.28Å; A345-K349 PolarHBondContact O-N 2.93Å; S346-K349 WeakPolarHBondContact O-CB 3.4Å; S346-K349 PolarHBondContact O-N 3.22Å; S346-K349 VanDerWaalsContact O-N 3.1Å; M347-K349 PolarHBondContact O-N 3.16Å; M347-K349 VanDerWaalsContact O-N 3.15Å; K349-K353 PolarHBondContact O-N 2.94Å
350L78.8Confident72Confident69 Ų6992 Ų9236%0.36149%0.487SS..Hα-helixtrans-66-48.5175.8-172.263.8000111.1P299 S346 M347 R352 K353 Q354P299-L350 HydrophobicContact CG-CD2 4.34Å; S346-L350 PolarHBondContact O-N 3.44Å; M347-L350 WeakPolarHBondContact O-CA 3.41Å; M347-L350 WeakPolarHBondContact O-CB 3.29Å; M347-L350 PolarHBondContact O-N 2.93Å; L350-R352 VanDerWaalsContact C-N 3.25Å; L350-R352 PolarHBondContact O-N 3Å; L350-K353 PolarHBondContact O-N 3.29Å; L350-K353 VanDerWaalsContact O-N 3.16Å; L350-Q354 PolarHBondContact O-N 3.05Å
351T79.1Confident69.2Low88 Ų8896.5 Ų96.554%0.5452%0.524SS..Hα-helixtrans-58.6-35.1178.4-41.20000112.9M347 G355M347-T351 PolarHBondContact O-N 3.33Å; M347-T351 PolarHBondContact O-OG1 2.81Å; M347-T351 VanDerWaalsContact O-OG1 3.06Å; T351-G355 PolarHBondContact O-N 2.94Å
352R76.2Confident66.7Low189 Ų18999.6 Ų99.671%0.71354%0.538SS*.Hα-helixtrans-64.6-54.5174.3-75.8176.3177.5-168.6-3.9111.3K348 L350 Q354 G355 D356K348-R352 WeakPolarHBondContact O-CG 3.37Å; K348-R352 PolarHBondContact O-N 3.37Å; L350-R352 VanDerWaalsContact C-N 3.25Å; L350-R352 PolarHBondContact O-N 3Å; R352-Q354 PolarHBondContact O-N 2.83Å; R352-Q354 VanDerWaalsContact O-N 3.15Å; R352-G355 WeakPolarHBondContact O-CA 3.47Å; R352-G355 PolarHBondContact O-N 3.02Å; R352-D356 PolarHBondContact O-N 3.02Å; R352-D356 VanDerWaalsContact O-N 3.14Å
353K69.2Low64.2Low154 Ų154101.1 Ų101.167%0.6756%0.556SS**Hα-helixtrans-56.3-33.6178.8-73-169.9169.3-152.60113.5K349 L350 G355 D356K349-K353 PolarHBondContact O-N 2.94Å; L350-K353 PolarHBondContact O-N 3.29Å; L350-K353 VanDerWaalsContact O-N 3.16Å; K353-G355 VanDerWaalsContact C-N 3.34Å; K353-D356 PolarHBondContact O-N 3.09Å
354Q57.9Low61.5Low129 Ų129110 Ų11060%0.60360%0.597SS**Hα-helixtrans-71.4-29176.7-159.66534.500112.8L350 R352L350-Q354 PolarHBondContact O-N 3.05Å; R352-Q354 PolarHBondContact O-N 2.83Å; R352-Q354 VanDerWaalsContact O-N 3.15Å
355G52.3Low58.6Low64 Ų64116.4 Ų116.466%0.6663%0.63SS**Hα-helixtrans-80.6-18174.500000114.3T351 R352 K353 L357T351-G355 PolarHBondContact O-N 2.94Å; R352-G355 WeakPolarHBondContact O-CA 3.47Å; R352-G355 PolarHBondContact O-N 3.02Å; K353-G355 VanDerWaalsContact C-N 3.34Å; G355-L357 VanDerWaalsContact C-N 3.34Å
356D54Low55.8Low131 Ų131117.4 Ų117.470%0.70165%0.645SS**SBendtrans-85.7-3.8177.7-57.8-40.1000112.9R352 K353R352-D356 PolarHBondContact O-N 3.02Å; R352-D356 VanDerWaalsContact O-N 3.14Å; K353-D356 PolarHBondContact O-N 3.09Å
357L39.6Very low53.2Low105 Ų105119.9 Ų119.955%0.5566%0.662SS.*SBendtrans-82.2134.8177-76.8166.6000111G355G355-L357 VanDerWaalsContact C-N 3.34Å
358P37.7Very low50.5Low108 Ų108125.4 Ų125.470%0.70170%0.702SS**PPolyproline II helixtrans-62.6147.6173.227.6-34000110.3
359P39.3Very low48Very low116 Ų116123.3 Ų123.375%0.75371%0.707SS**PPolyproline II helixtrans-58.7143.4176.125.9-34.1000109.9A361P359-A361 PolarHBondContact O-N 2.87Å
360P37.6Very low45.3Very low123 Ų123122.2 Ų122.280%0.79972%0.718SS**PPolyproline II helixtrans-56.7137.5176.925-33.7000109.3K362P360-K362 PolarHBondContact O-N 3.12Å
361A32.1Very low43.2Very low97 Ų97129.9 Ų129.980%0.80274%0.742SS**PPolyproline II helixtrans-51.1129.3179.300000109.3P359P359-A361 PolarHBondContact O-N 2.87Å
362K37Very low41Very low189 Ų189131.4 Ų131.482%0.82275%0.753SS**PPolyproline II helixtrans-54.3137.6173.2-69.9-179.6178.7178.10107.6P360 E364P360-K362 PolarHBondContact O-N 3.12Å; K362-E364 PolarHBondContact O-N 3.09Å; K362-E364 VanDerWaalsContact O-N 3.08Å
363P35.9Very low39.1Very low121 Ų121128.9 Ų128.979%0.78676%0.759SS**PPolyproline II helixtrans-55.5123.2169.625.1-32.6000107.2Q365P363-Q365 PolarHBondContact O-N 3.31Å
364E32.2Very low37.6Very low187 Ų187127.4 Ų127.487%0.87477%0.765SS**PPolyproline II helixtrans-55.3128.2179.2-68.1-170.313900108.3K362 G366K362-E364 PolarHBondContact O-N 3.09Å; K362-E364 VanDerWaalsContact O-N 3.08Å; E364-G366 PolarHBondContact O-N 2.81Å
365Q30.6Very low36.4Very low195 Ų195126.1 Ų126.191%0.91178%0.776SS**  trans-7084166.2-77.5-171.9-21.700107.2P363 S367P363-Q365 PolarHBondContact O-N 3.31Å; Q365-S367 PolarHBondContact O-N 3.01Å
366G31.8Very low35.6Very low70 Ų70128.2 Ų128.272%0.72278%0.781SS**  trans-57.699.4174.100000109.1E364 S368E364-G366 PolarHBondContact O-N 2.81Å; G366-S368 PolarHBondContact O-N 3.41Å
367S34Very low34.8Very low103 Ų103133.5 Ų133.572%0.7279%0.791SS**  trans-50.8130.8178.7-179.20000110.2Q365 A369Q365-S367 PolarHBondContact O-N 3.01Å; S367-A369 PolarHBondContact O-N 3.22Å
368S32.1Very low34.4Very low125 Ų125132.7 Ų132.787%0.87481%0.808SS**  trans-70.376.9175.855.80000110.5G366G366-S368 PolarHBondContact O-N 3.41Å
369A34.3Very low34.3Very low77 Ų77131.4 Ų131.464%0.63681%0.814SS**  trans-123.890.4175.500000109.4S367 R371S367-A369 PolarHBondContact O-N 3.22Å; A369-R371 PolarHBondContact O-N 3.05Å; A369-R371 VanDerWaalsContact O-N 3.17Å
370S29.9Very low34Very low126 Ų126135.7 Ų135.788%0.88182%0.821SS**  trans-57.3114.6172.349.80000110.9
371R34.2Very low33.9Very low231 Ų231136.9 Ų136.987%0.87283%0.826SS**  trans-119.3130.5170.4-160.7171.7-172.5-176.51.5109.5A369A369-R371 PolarHBondContact O-N 3.05Å; A369-R371 VanDerWaalsContact O-N 3.17Å
372P33Very low33.8Very low119 Ų119139.2 Ų139.277%0.77383%0.825SS**PPolyproline II helixtrans-77.6138-168.728.8-32.8000112.1
373V37.4Very low33.7Very low136 Ų136136.5 Ų136.582%0.82483%0.828SS**PPolyproline II helixtrans-95.1121.8169.8177.40000108.6
374P37.4Very low33.5Very low123 Ų123139 Ų13980%0.79983%0.826SS**PPolyproline II helixtrans-70.5137.1172-15.530.5000111.1
375A31.6Very low33.6Very low102 Ų102133.9 Ų133.984%0.84382%0.823SS**PPolyproline II helixtrans-79.1146-177.900000113.2
376S37.1Very low33.6Very low109 Ų109130.7 Ų130.776%0.76281%0.813SS**  trans-151.2106.7148.5-158.90000114.1
377R35.5Very low33.7Very low242 Ų242139.1 Ų139.191%0.91382%0.823SS**  trans38.3125.7138.1-63.4-178.3171-163.7-2.7122
378G32.9Very low33.5Very low87 Ų87144 Ų14490%0.89783%0.834SS**  trans101134.6139.400000115
379G34.7Very low33.7Very low81 Ų81142.1 Ų142.184%0.83583%0.826SS**  cis-153.5170.1100000111.8
380K32.5Very low33.6Very low207 Ų207144.1 Ų144.190%0.983%0.832SS**  trans-93.9139.1-169.8-52.5162.4-178.6174.70111.1
381T36.4Very low33.7Very low148 Ų148144.3 Ų144.391%0.90883%0.83SS**  trans-144.5141137.6-32.30000110.8
382L30.1Very low33.6Very low146 Ų146136.4 Ų136.476%0.76482%0.821SS**  trans-123.7128.3-171.9164.576.8000107.9
383C35.3Very low33.5Very low131 Ų131136.6 Ų136.689%0.88582%0.822SS**  trans-136.2112.6160.2-840000109.8
384K31.4Very low33.1Very low175 Ų175135.5 Ų135.576%0.76182%0.818SS**  trans-69.9153.2166.7-85.9-175.9162-159.30110.5
385G34.1Very low32.7Very low78 Ų78133.8 Ų133.880%0.80481%0.814SS**  trans-157.377.3169.400000110.1R387G385-R387 PolarHBondContact O-N 2.99Å
386D29.5Very low32.5Very low129 Ų129139.8 Ų139.869%0.6982%0.815SS**  trans-68.4119.6-177.9-67-63.1000111.5
387R35Very low32.2Very low247 Ų247143 Ų14393%0.93282%0.816SS**  trans-138.3112.9150.5-81.9-155.7171.9-166.1-1.8110.7G385G385-R387 PolarHBondContact O-N 2.99Å
388Q29.5Very low31.8Very low205 Ų205137 Ų13796%0.95881%0.808SS**  trans-83.7126.6-177.6-142.1159.2-18.400109.3
389A35.3Very low31.5Very low85 Ų85141.6 Ų141.670%0.70280%0.798SS**  trans-114.9147.5170.500000109.1
390P33.8Very low31.1Very low119 Ų119142.4 Ų142.477%0.77379%0.789SS**PPolyproline II helixtrans-71.4151.5-173.429.6-35.3000112.2G392P390-G392 PolarHBondContact O-N 3.38Å
391P31.9Very low30.7Very low130 Ų130139.2 Ų139.284%0.84478%0.78SS**PPolyproline II helixtrans-76.7117.7-178.130.4-33.3000111.7
392G31.3Very low30.2Very low65 Ų65140.8 Ų140.867%0.6777%0.769SS**PPolyproline II helixtrans-68.5154.1164.900000112.1P390P390-G392 PolarHBondContact O-N 3.38Å
393P31.3Very low29.9Very low123 Ų123138.3 Ų138.380%0.79976%0.764SS**PPolyproline II helixtrans-72.7151.2-170.729.8-35.5000113.2A395P393-A395 PolarHBondContact O-N 3.14Å; P393-A395 VanDerWaalsContact O-N 3.14Å
394P27.9Very low29.5Very low113 Ų113136.8 Ų136.873%0.73476%0.761SS**  trans-82.696.1-172.832.8-34.9000112.3R396P394-R396 PolarHBondContact O-N 3.23Å
395A29.7Very low29.3Very low87 Ų87134.1 Ų134.172%0.71977%0.765SS**  trans-7263.7167.200000112P393 F397P393-A395 PolarHBondContact O-N 3.14Å; P393-A395 VanDerWaalsContact O-N 3.14Å; A395-F397 PolarHBondContact O-N 3.26Å; A395-F397 VanDerWaalsContact O-N 3.11Å
396R27.7Very low29Very low229 Ų229135.8 Ų135.886%0.86476%0.762SS**  trans-72.797169.5-78.7-173.1175-1690.1109.6P394 P398P394-R396 PolarHBondContact O-N 3.23Å; R396-P398 VanDerWaalsContact O-CD 3.27Å; R396-P398 WeakPolarHBondContact O-CD 3.43Å
397F30.9Very low28.9Very low177 Ų177136.1 Ų136.178%0.77677%0.77SS**PPolyproline II helixtrans-74.6116.7163.2-73.2-80000110.2A395 R399A395-F397 PolarHBondContact O-N 3.26Å; A395-F397 VanDerWaalsContact O-N 3.11Å; F397-R399 PolarHBondContact O-N 3.06Å
398P26.8Very low28.4Very low116 Ų116135.7 Ų135.775%0.75377%0.769SS**PPolyproline II helixtrans-74.8121168.630.6-30.8000108.9R396R396-P398 VanDerWaalsContact O-CD 3.27Å; R396-P398 WeakPolarHBondContact O-CD 3.43Å
399R26.6Very low28.4Very low182 Ų182129.8 Ų129.869%0.68776%0.755SS**PPolyproline II helixtrans-62.1129.9173.1-67.6-171-176-139.712.4110E217 F397 I401E217-R399 IonicContact OE1-CZ 3.69Å; E217-R399 IonicContact OE1-NH1 2.81Å; E217-R399 PolarHBondContact OE1-NH1 3.14Å; F397-R399 PolarHBondContact O-N 3.06Å; R399-I401 PolarHBondContact O-N 2.87Å; R399-I401 VanDerWaalsContact O-N 3.08Å
400P25.6Very low28.1Very low99 Ų99132.1 Ų132.164%0.64376%0.763SS**  trans-75.399.7170.128.8-29.3000109.4W402P400-W402 PolarHBondContact O-N 3.18Å; P400-W402 VanDerWaalsContact O-N 3.12Å
401I24.9Very low27.7Very low140 Ų140138 Ų13872%0.71877%0.77SS**  trans-68.8105.3174.1-61.9174.3000109.1R399 S403R399-I401 PolarHBondContact O-N 2.87Å; R399-I401 VanDerWaalsContact O-N 3.08Å; I401-S403 VanDerWaalsContact C-N 3.31Å; I401-S403 WeakPolarHBondContact CG2-OG 3.45Å; I401-S403 PolarHBondContact O-N 3.45Å; I401-S403 VanDerWaalsContact O-N 3.09Å
402W25.5Very low27.6Very low180 Ų180137 Ų13768%0.68277%0.766SS**  trans-82.373.6171.2-80.250.8000110.6P400P400-W402 PolarHBondContact O-N 3.18Å; P400-W402 VanDerWaalsContact O-N 3.12Å
403S24.1Very low27.4Very low94 Ų94138.9 Ų138.966%0.65777%0.769SS**  trans-143.978.7173.571.40000113.7I401I401-S403 VanDerWaalsContact C-N 3.31Å; I401-S403 WeakPolarHBondContact CG2-OG 3.45Å; I401-S403 PolarHBondContact O-N 3.45Å; I401-S403 VanDerWaalsContact O-N 3.09Å
404A26.9Very low27.3Very low99 Ų99139.2 Ų139.282%0.81877%0.769SS**  trans-159.4107.3156.500000110.3
405S26.4Very low27.3Very low119 Ų119139.3 Ų139.383%0.83277%0.77SS**PPolyproline II helixtrans-77.7131.4164.9-610000108.9
406P27.4Very low27.3Very low114 Ų114141.4 Ų141.474%0.7478%0.777SS**PPolyproline II helixtrans-70.1141.6170.329.1-33000110.3
407P27.7Very low27.3Very low135 Ų135136.9 Ų136.988%0.87778%0.777SS**PPolyproline II helixtrans-68.7156.1176.430.3-34.9000111.3
408R26.2Very low27.2Very low238 Ų238132.4 Ų132.490%0.89878%0.782SS**  trans-126.6137.1-171.4-167.9-165.6-79.9-117.6-0.2113.2
409A28.6Very low27.3Very low82 Ų82130.6 Ų130.668%0.67878%0.784SS**  trans76.6159.6164.400000115.6
410P28.3Very low27.5Very low133 Ų133126.9 Ų126.986%0.86479%0.792SS**  cis-109-18048.80.921.7000116.6
411R25.9Very low27.5Very low244 Ų244128.4 Ų128.492%0.92180%0.799SS**  trans-110.6153.7178.6-65.4172.1165.7-171.7-5111.9
412S30.4Very low27.6Very low107 Ų107132.9 Ų132.975%0.74881%0.807SS**  trans-147.5116.914938.20000106.7
413S27.5Very low27.6Very low106 Ų106132 Ų13274%0.74181%0.81SS**  49.812595.465.90000112.8
414T28.5Very low27.7Very low129 Ų129133.7 Ų133.779%0.79181%0.813SS**  cis-161.2153.245-54.60000110.5
415P27.8Very low27.6Very low116 Ų116134.3 Ų134.375%0.75381%0.806SS**  trans-92.9152.2-178.736.1-34.8000114.2
416C29Very low27.7Very low131 Ų131138.3 Ų138.389%0.88580%0.804SS**  trans-139.9146.4161.6-86.40000111.2
417P29Very low27.8Very low133 Ų133138.5 Ų138.586%0.86481%0.805SS**  trans-106.6168.5-173.240.7-35.2000114.5
418G28.9Very low27.7Very low84 Ų84139.1 Ų139.187%0.86681%0.807SS**  trans119.3141.515800000115.2
419G28.2Very low27.9Very low77 Ų77131.2 Ų131.279%0.79480%0.799SS**  trans142.981.216700000116.8
420A30.2Very low27.9Very low105 Ų105132.9 Ų132.987%0.86880%0.801SS**  trans54.6117.3150.400000121.2
421V25.6Very low27.8Very low131 Ų131135.9 Ų135.979%0.79480%0.804SS**  trans-63.6143.1157.3172.30000110.6E423V421-E423 HydrophobicContact CG1-CB 4.42Å
422R28.2Very low27.9Very low234 Ų234128 Ų12888%0.88380%0.799SS**  trans-141.2129.3144.6-139-179.6-171.8-161.4-0.1110.8
423E24.2Very low27.6Very low160 Ų160129.5 Ų129.575%0.74880%0.803SS**  trans-116.8121.4-173.3-168.5171.7-142.300106.3V421V421-E423 HydrophobicContact CG1-CB 4.42Å
424D27.7Very low27.7Very low131 Ų131130 Ų13070%0.70180%0.804SS**  trans-111.7108.2174.2-85.8-43.5000109.1
425T23.9Very low27.4Very low111 Ų111129.4 Ų129.468%0.68180%0.804SS**  trans-101.7133.7173.5-66.90000109.1
426Y27.9Very low27.7Very low204 Ų204130.1 Ų130.180%0.881%0.809SS**  trans-127.8148.5163.2-78.5-82000110.9
427P29.3Very low27.6Very low117 Ų117128.2 Ų128.276%0.7680%0.803SS**  trans-97.5162.5-141.336.2-37.7000115.9
428V25.9Very low27.5Very low149 Ų149130.1 Ų130.190%0.90381%0.805SS**  trans-77.5133167.7171.30000110.2
429G31Very low27.5Very low72 Ų72130.5 Ų130.574%0.74280%0.8SS**  trans-141.183.2-179.700000114
430T28.4Very low27.5Very low117 Ų117135.8 Ų135.872%0.71880%0.804SS**  trans36.4115.7139.5-28.10000122.3
431Q26.7Very low27.5Very low196 Ų196132 Ų13292%0.91678%0.775SS**  trans61.2133143.4-68.7177.4300122.7
432G28.4Very low28.1Very low79 Ų79127.4 Ų127.481%0.81475%0.754SS**  trans145.7100.9159.800000114.4
433V24.5Very low28.6Very low138 Ų138118.6 Ų118.684%0.83673%0.727SS**  trans-109.1130173.1170.60000108.2
434P27.8Very low29.1Very low117 Ų117120 Ų12076%0.7673%0.733SS**  -143.4153.3107.732.9-15.5000115.3
435S23Very low29.5Very low115 Ų115114.7 Ų114.780%0.80471%0.71SS**  trans-71.4142.1171.2-52.10000112.4
436P34Very low30.2Very low132 Ų132113 Ų11386%0.85770%0.703SS**  trans-97.2145.5158.2-0.821.1000111.7
437A27.1Very low31Very low91 Ų91105.6 Ų105.675%0.75267%0.673SS**  trans-105.6154.917800000112.9
438L27.2Very low31.4Very low172 Ų172106.3 Ų106.390%0.90166%0.661SS**  trans30.3117.6147.6-80.2151.9000121.5
439A28.1Very low32Very low92 Ų92103 Ų10376%0.7664%0.635SS**  trans-167.4117.5134.800000108.4
440Q29.6Very low32.3Very low189 Ų189103.1 Ų103.188%0.88362%0.618SS**  7014290.3-66.4-144.819.600116.4
441G29.7Very low32.9Very low26 Ų26103.3 Ų103.327%0.26861%0.61SS.*  trans140.3129.1172.400000112I483G441-I483 CarbonylContact O-C 3.37Å; G441-I483 WeakPolarHBondContact O-CG2 3.48Å; G441-I483 VanDerWaalsContact O-O 3.07Å
442G37.2Very low33.8Very low33 Ų33101.3 Ų101.334%0.3460%0.595SS.*  trans-179.3149.2-179.300000122.5S484 Q485G442-S484 CarbonylContact C-O 3.44Å; G442-S484 VanDerWaalsContact CA-O 3.31Å; G442-S484 WeakPolarHBondContact CA-O 3.45Å; G442-Q485 VanDerWaalsContact N-CA 3.32Å; G442-Q485 VanDerWaalsContact N-N 3.14Å
443P39.4Very low34Very low49 Ų49104.1 Ų104.132%0.31859%0.591SS.*SBendtrans-116.1-115.5153.238.3-13.9000106S484P443-S484 VanDerWaalsContact CD-N 3.32Å; P443-S484 WeakPolarHBondContact CD-O 3.46Å; P443-S484 WeakPolarHBondContact CG-O 3.34Å; P443-S484 VanDerWaalsContact N-O 3.16Å
444Q35.2Very low34.3Very low189 Ų189101.7 Ų101.788%0.88358%0.58SS**SBendtrans-143.374.8-168.2-60.9177.3700111.8
445G36.2Very low34.4Very low21 Ų21103.5 Ų103.522%0.21658%0.58CS.*  trans-106.5-139.7-15500000116.4R481G445-R481 PolarHBondContact O-NE 3.17Å; G445-R481 PolarHBondContact O-NH2 2.99Å
446S38.7Very low34.7Very low75 Ų75103 Ų10352%0.52457%0.574SS.*EExtended strand (participates in β ladder)trans-136.5143.4-149.351.30000116.4R481 A482S446-R481 CarbonylContact O-C 3.56Å; S446-R481 VanDerWaalsContact O-CA 3.26Å; S446-R481 WeakPolarHBondContact O-CA 3.26Å; S446-A482 PolarHBondContact N-O 3.14Å; S446-A482 VanDerWaalsContact N-O 3.15Å; S446-A482 PolarHBondContact O-N 2.79Å
447W43.7Very low34.4Very low48 Ų48107.7 Ų107.718%0.18258%0.575CS.*EExtended strand (participates in β ladder)trans-69.9125.5-179.2-70101.4000112.9Y42 N43 V46 I157 W479 V480 R481Y42-W447 AromaticContact CD1-CE2 3.62Å; Y42-W447 AromaticContact CD1-CZ2 3.42Å; Y42-W447 HydrophobicContact CD1-CZ2 3.42Å; Y42-W447 VanDerWaalsContact CD1-CZ2 3.42Å; Y42-W447 AromaticContact CD1-NE1 3.32Å; Y42-W447 VanDerWaalsContact CD1-NE1 3.32Å; Y42-W447 AromaticContact CD2-NE1 3.79Å; Y42-W447 HydrophobicContact CE1-CZ2 4.43Å; Y42-W447 AromaticContact CE1-NE1 3.67Å; Y42-W447 AromaticContact CG-CE2 3.6Å; Y42-W447 AromaticContact CG-CZ2 3.59Å; Y42-W447 HydrophobicContact CG-CZ2 3.59Å; Y42-W447 AromaticContact CG-NE1 3.36Å; Y42-W447 VanDerWaalsContact O-CH2 3.23Å; Y42-W447 WeakPolarHBondContact O-CH2 3.48Å; N43-W447 WeakPolarHBondContact OD1-CZ3 3.39Å; V46-W447 HydrophobicContact CB-CH2 4.01Å; V46-W447 HydrophobicContact CB-CZ2 4.3Å; V46-W447 HydrophobicContact CG2-CH2 3.81Å; V46-W447 HydrophobicContact CG2-CZ2 3.63Å; I157-W447 HydrophobicContact CD1-CD2 3.9Å; I157-W447 HydrophobicContact CD1-CG 4.1Å; I157-W447 HydrophobicContact CD1-CH2 4.38Å; I157-W447 HydrophobicContact CD1-CZ2 3.54Å; I157-W447 VanDerWaalsContact CD1-NE1 3.32Å; W447-W479 HydrophobicContact CB-CE3 4.09Å; W447-W479 HydrophobicContact CE3-CB 4.03Å; W447-W479 HydrophobicContact CZ3-CB 4.45Å; W447-W479 VanDerWaalsContact O-CZ3 3.28Å; W447-W479 WeakPolarHBondContact O-CZ3 3.25Å; W447-V480 CarbonylContact C-O 3.44Å; W447-V480 WeakPolarHBondContact CA-O 3.4Å; W447-R481 HydrophobicContact CB-CB 4.37Å; W447-R481 HydrophobicContact CD2-CB 3.68Å; W447-R481 HydrophobicContact CE3-CB 4.16Å; W447-R481 VanDerWaalsContact CE3-N 3.25Å; W447-R481 HydrophobicContact CG-CB 3.69Å; W447-R481 HydrophobicContact CG-CG 4.15Å
448R38.1Very low34.3Very low132 Ų132110 Ų11050%0.49857%0.574SS.*EExtended strand (participates in β ladder)trans-129.4130-177.560.5172.2-172.6-144.61.6114L450 W479 V480 A482R448-L450 HydrophobicContact CG-CD1 4.09Å; R448-W479 CarbonylContact O-C 3.58Å; R448-V480 HydrophobicContact CG-CB 4.27Å; R448-V480 WeakPolarHBondContact CG-O 3.42Å; R448-V480 PolarHBondContact N-O 2.91Å; R448-V480 WeakPolarHBondContact O-CA 3.22Å; R448-V480 VanDerWaalsContact O-CB 3.31Å; R448-V480 WeakPolarHBondContact O-CB 3.41Å; R448-V480 WeakPolarHBondContact O-CG2 3.03Å; R448-V480 PolarHBondContact O-N 2.82Å; R448-A482 HydrophobicContact CG-CB 3.83Å
449F37.8Very low34.3Very low81 Ų81107.3 Ų107.336%0.35557%0.567SS.*EExtended strand (participates in β ladder)trans-92.6102.1-166.2-169.7-95.3000114S477 C478 W479F449-S477 VanDerWaalsContact CD1-CB 3.46Å; F449-S477 VanDerWaalsContact CD1-OG 3.25Å; F449-S477 WeakPolarHBondContact CD1-OG 3.18Å; F449-S477 WeakPolarHBondContact CE1-O 3.38Å; F449-S477 WeakPolarHBondContact CE1-OG 3.42Å; F449-S477 WeakPolarHBondContact CZ-O 3.34Å; F449-S477 WeakPolarHBondContact O-CB 3.13Å; F449-C478 CarbonylContact C-O 3.34Å; F449-C478 VanDerWaalsContact CA-O 3.32Å; F449-C478 WeakPolarHBondContact CA-O 3.17Å; F449-C478 VanDerWaalsContact CD2-C 3.44Å; F449-W479 HydrophobicContact CB-CD2 3.89Å; F449-W479 HydrophobicContact CB-CE3 3.72Å; F449-W479 HydrophobicContact CB-CG 4.46Å; F449-W479 HydrophobicContact CB-CH2 4.28Å; F449-W479 HydrophobicContact CB-CZ2 4.44Å; F449-W479 HydrophobicContact CB-CZ3 3.93Å; F449-W479 HydrophobicContact CD2-CB 4.3Å; F449-W479 AromaticContact CD2-CD1 3.61Å; F449-W479 AromaticContact CD2-CD2 3.71Å; F449-W479 HydrophobicContact CD2-CD2 3.71Å; F449-W479 AromaticContact CD2-CE2 3.7Å; F449-W479 HydrophobicContact CD2-CE3 4.43Å; F449-W479 AromaticContact CD2-CG 3.62Å; F449-W479 HydrophobicContact CD2-CG 3.62Å; F449-W479 HydrophobicContact CD2-CZ2 4.38Å; F449-W479 AromaticContact CD2-NE1 3.63Å; F449-W479 HydrophobicContact CE2-CG 4.45Å; F449-W479 HydrophobicContact CG-CD2 4.28Å
450L38.3Very low34.3Very low74 Ų74107.8 Ų107.839%0.38756%0.56SS.*  trans-146.2109.7-170.4-64167.8000111.7R448 W452 C478R448-L450 HydrophobicContact CG-CD1 4.09Å; L450-W452 HydrophobicContact CD2-CB 4.2Å; L450-W452 HydrophobicContact CD2-CG 4.36Å; L450-C478 CarbonylContact C-O 3.53Å; L450-C478 VanDerWaalsContact C-SG 3.57Å; L450-C478 PolarHBondContact N-O 3.08Å; L450-C478 PolarHBondContact O-SG 3.21Å
451Q41.1Very low34.3Very low120 Ų120105.8 Ų105.856%0.56156%0.556SS**  -151.7111.495.2-171.5-175.621.300108.9Q476 S477 C478Q451-Q476 CarbonylContact C-O 3.52Å; Q451-Q476 CarbonylContact O-C 3.09Å; Q451-Q476 VanDerWaalsContact O-O 3.13Å; Q451-S477 VanDerWaalsContact O-CA 3.32Å; Q451-S477 WeakPolarHBondContact O-CA 3.47Å; Q451-C478 PolarHBondContact N-SG 3.11Å
452W44.9Very low34.2Very low155 Ų155111 Ų11159%0.58758%0.576SS**SBendcis51.6105.827.4-153.8-79.4000111.9L450 S454 Q476L450-W452 HydrophobicContact CD2-CB 4.2Å; L450-W452 HydrophobicContact CD2-CG 4.36Å; W452-S454 PolarHBondContact O-N 3.05Å; W452-Q476 PolarHBondContact N-O 3.15Å
453N33.4Very low33.8Very low138 Ų138116.7 Ų116.774%0.73860%0.599SS**SBendtrans-70.150.3-170.5-69.6-22.2000115.2
454S30.6Very low33.3Very low86 Ų86119.7 Ų119.760%0.60162%0.616SS**SBendtrans8259.8163.8-47.10000117.6W452W452-S454 PolarHBondContact O-N 3.05Å
455M29.4Very low32.7Very low156 Ų156119.8 Ų119.877%0.76862%0.617SS**  trans63.4-174.9161.6-70.9-155.3-56.800116.2
456P28.8Very low32.3Very low105 Ų105120.8 Ų120.868%0.68263%0.627SS**  cis-128.4126.5-35.322.6-2.9000113.6
457R27.7Very low31.7Very low230 Ų230122.9 Ų122.987%0.86864%0.639SS**  trans-162.7128.8138.4-63.3-156.8-176.3-163.5-0.8104.8
458L26Very low30.9Very low138 Ų138129.8 Ų129.872%0.72367%0.665SS**  -16313180.4-77.4142.7000108.5
459P27.2Very low30.6Very low116 Ų116131.3 Ų131.375%0.75368%0.676SS**  -106.1164.1113.4-12.130.5000109.7
460T28Very low30Very low102 Ų102136.2 Ų136.263%0.62669%0.692SS**SBendcis-141.9-17616.7-34.10000108.6L462T460-L462 PolarHBondContact O-N 2.84Å
461D29.3Very low29.6Very low148 Ų148141.2 Ų141.279%0.79171%0.713SS**  trans75.414157-34.5-37.3000121D463D461-D463 PolarHBondContact O-N 3.43Å
462L28Very low29.1Very low134 Ų134142.5 Ų142.570%0.70271%0.714SS**  trans-88.586.1-176.8-74.4170.7000115T460T460-L462 PolarHBondContact O-N 2.84Å
463D27.3Very low28.3Very low154 Ų154140 Ų14082%0.82471%0.712SS**  trans-55.7135.7152.1-88.1-40.5000110.7D461D461-D463 PolarHBondContact O-N 3.43Å
464V29.4Very low28.2Very low111 Ų111139.8 Ų139.867%0.67371%0.705SS**  trans-122.750.3176.6-162.80000110.6F469V464-F469 HydrophobicContact CG1-CZ 4.33Å
465E23.7Very low28.3Very low192 Ų192143.2 Ų143.290%0.89770%0.704SS**  trans-95.1113.8163-67.9-152.9149.500110.4
466G26.1Very low28.5Very low42 Ų42142.6 Ų142.643%0.43370%0.699SS.*SBendtrans170.8140.1175.800000113.2W468G466-W468 PolarHBondContact O-N 2.65Å
467P26.8Very low29.1Very low119 Ų119139.6 Ų139.677%0.77368%0.681SS**SBendtrans-78.436.1-163.332.2-38.2000115.7
468W27.7Very low29.6Very low192 Ų192131.8 Ų131.873%0.72766%0.661SS**  trans-124.629.5-162.9-65.696.5000115.9G466 R470G466-W468 PolarHBondContact O-N 2.65Å; W468-R470 PolarHBondContact O-N 3.08Å
469F30.1Very low30.5Very low164 Ų164131.2 Ų131.272%0.71965%0.649SS**  trans-64.231.8170.4-80.7-83000114.8V464 H471V464-F469 HydrophobicContact CG1-CZ 4.33Å; F469-H471 PolarHBondContact O-N 2.83Å
470R26.6Very low31.2Very low184 Ų184127.7 Ų127.769%0.69463%0.626SS**  trans-80.8-11.2-166.2-84.4-170.2176.5178.71.9116.7W468W468-R470 PolarHBondContact O-N 3.08Å
471H29.5Very low31.6Very low180 Ų180127 Ų12783%0.83361%0.612SS**  trans-130.381.7-177.6-65.8-58.2000112.7F469 D473F469-H471 PolarHBondContact O-N 2.83Å; H471-D473 PolarHBondContact O-N 2.93Å; H471-D473 VanDerWaalsContact O-N 3.12Å
472Y29.7Very low32.4Very low146 Ų146120.6 Ų120.657%0.57358%0.579SS**  trans-56109.4160.2-92.3-99.2000110.3F474Y472-F474 AromaticContact CD1-CD2 3.9Å; Y472-F474 HydrophobicContact CD1-CD2 3.9Å; Y472-F474 AromaticContact CD1-CE2 3.88Å; Y472-F474 HydrophobicContact CD1-CE2 3.88Å; Y472-F474 HydrophobicContact CE1-CD2 4.33Å; Y472-F474 AromaticContact CE1-CE2 3.88Å; Y472-F474 HydrophobicContact CE1-CE2 3.88Å
473D28.4Very low32.7Very low102 Ų102117.8 Ų117.855%0.54556%0.564SS.*  trans-134.475.6163.4-150.917.5000111.9H471 R475H471-D473 PolarHBondContact O-N 2.93Å; H471-D473 VanDerWaalsContact O-N 3.12Å; D473-R475 VanDerWaalsContact CG-NE 3.26Å; D473-R475 PolarHBondContact O-N 3.09Å; D473-R475 WeakPolarHBondContact OD1-CD 3.36Å; D473-R475 WeakPolarHBondContact OD1-CG 3.41Å; D473-R475 IonicContact OD1-CZ 3.99Å; D473-R475 IonicContact OD1-NE 2.84Å; D473-R475 PolarHBondContact OD1-NE 3.5Å; D473-R475 IonicContact OD1-NH2 2.75Å; D473-R475 VanDerWaalsContact OD2-CD 3.23Å; D473-R475 WeakPolarHBondContact OD2-CD 3.41Å; D473-R475 IonicContact OD2-CZ 2.93Å; D473-R475 IonicContact OD2-NE 3.26Å; D473-R475 PolarHBondContact OD2-NE 3.21Å
474F32Very low33.1Very low135 Ų135114.6 Ų114.659%0.59255%0.554SS**  trans-65.982.9170-85.9-84.1000110.7K75 Y472K75-F474 PolarHBondContact NZ-O 3.28Å; Y472-F474 AromaticContact CD1-CD2 3.9Å; Y472-F474 HydrophobicContact CD1-CD2 3.9Å; Y472-F474 AromaticContact CD1-CE2 3.88Å; Y472-F474 HydrophobicContact CD1-CE2 3.88Å; Y472-F474 HydrophobicContact CE1-CD2 4.33Å; Y472-F474 AromaticContact CE1-CE2 3.88Å; Y472-F474 HydrophobicContact CE1-CE2 3.88Å
475R32.1Very low33.4Very low157 Ų157115.6 Ų115.659%0.59255%0.551SS**  trans-120.392.8174.4-66.5-172.5-169.9-153.16.4111.3D473D473-R475 VanDerWaalsContact CG-NE 3.26Å; D473-R475 PolarHBondContact O-N 3.09Å; D473-R475 WeakPolarHBondContact OD1-CD 3.36Å; D473-R475 WeakPolarHBondContact OD1-CG 3.41Å; D473-R475 IonicContact OD1-CZ 3.99Å; D473-R475 IonicContact OD1-NE 2.84Å; D473-R475 PolarHBondContact OD1-NE 3.5Å; D473-R475 IonicContact OD1-NH2 2.75Å; D473-R475 VanDerWaalsContact OD2-CD 3.23Å; D473-R475 WeakPolarHBondContact OD2-CD 3.41Å; D473-R475 IonicContact OD2-CZ 2.93Å; D473-R475 IonicContact OD2-NE 3.26Å; D473-R475 PolarHBondContact OD2-NE 3.21Å
476Q35Very low33.7Very low143 Ų143112.3 Ų112.367%0.66854%0.535SS*.SBendtrans86.285.2155.4-48.9178.38.600118.7Q451 W452Q451-Q476 CarbonylContact C-O 3.52Å; Q451-Q476 CarbonylContact O-C 3.09Å; Q451-Q476 VanDerWaalsContact O-O 3.13Å; W452-Q476 PolarHBondContact N-O 3.15Å
477S40.4Very low34.2Very low43 Ų43117.9 Ų117.930%0.30156%0.556SS.*  trans-165.7175.4165.334.10000114.2F449 Q451F449-S477 VanDerWaalsContact CD1-CB 3.46Å; F449-S477 VanDerWaalsContact CD1-OG 3.25Å; F449-S477 WeakPolarHBondContact CD1-OG 3.18Å; F449-S477 WeakPolarHBondContact CE1-O 3.38Å; F449-S477 WeakPolarHBondContact CE1-OG 3.42Å; F449-S477 WeakPolarHBondContact CZ-O 3.34Å; F449-S477 WeakPolarHBondContact O-CB 3.13Å; Q451-S477 VanDerWaalsContact O-CA 3.32Å; Q451-S477 WeakPolarHBondContact O-CA 3.47Å
478C38.6Very low34.4Very low65 Ų65118.2 Ų118.244%0.43955%0.547SS..  trans-163.3142.3-172.854.10000117.7F449 L450 Q451F449-C478 CarbonylContact C-O 3.34Å; F449-C478 VanDerWaalsContact CA-O 3.32Å; F449-C478 WeakPolarHBondContact CA-O 3.17Å; F449-C478 VanDerWaalsContact CD2-C 3.44Å; L450-C478 CarbonylContact C-O 3.53Å; L450-C478 VanDerWaalsContact C-SG 3.57Å; L450-C478 PolarHBondContact N-O 3.08Å; L450-C478 PolarHBondContact O-SG 3.21Å; Q451-C478 PolarHBondContact N-SG 3.11Å
479W44.1Very low34.3Very low126 Ų126117 Ų11748%0.47755%0.554SS.*EExtended strand (participates in β ladder)trans-62.2141.7-166.6-72.5117.8000119.7F158 W447 R448 F449F158-W479 HydrophobicContact CE1-CZ2 4.44Å; F158-W479 HydrophobicContact CZ-CZ2 4.32Å; F158-W479 AromaticContact CZ-NE1 3.96Å; W447-W479 HydrophobicContact CB-CE3 4.09Å; W447-W479 HydrophobicContact CE3-CB 4.03Å; W447-W479 HydrophobicContact CZ3-CB 4.45Å; W447-W479 VanDerWaalsContact O-CZ3 3.28Å; W447-W479 WeakPolarHBondContact O-CZ3 3.25Å; R448-W479 CarbonylContact O-C 3.58Å; F449-W479 HydrophobicContact CB-CD2 3.89Å; F449-W479 HydrophobicContact CB-CE3 3.72Å; F449-W479 HydrophobicContact CB-CG 4.46Å; F449-W479 HydrophobicContact CB-CH2 4.28Å; F449-W479 HydrophobicContact CB-CZ2 4.44Å; F449-W479 HydrophobicContact CB-CZ3 3.93Å; F449-W479 HydrophobicContact CD2-CB 4.3Å; F449-W479 AromaticContact CD2-CD1 3.61Å; F449-W479 AromaticContact CD2-CD2 3.71Å; F449-W479 HydrophobicContact CD2-CD2 3.71Å; F449-W479 AromaticContact CD2-CE2 3.7Å; F449-W479 HydrophobicContact CD2-CE3 4.43Å; F449-W479 AromaticContact CD2-CG 3.62Å; F449-W479 HydrophobicContact CD2-CG 3.62Å; F449-W479 HydrophobicContact CD2-CZ2 4.38Å; F449-W479 AromaticContact CD2-NE1 3.63Å; F449-W479 HydrophobicContact CE2-CG 4.45Å; F449-W479 HydrophobicContact CG-CD2 4.28Å
480V41.8Very low34Very low43 Ų43113.6 Ų113.626%0.26156%0.556SS.*EExtended strand (participates in β ladder)trans-150.9113.7-178.1-168.40000115.5W447 R448 A482W447-V480 CarbonylContact C-O 3.44Å; W447-V480 WeakPolarHBondContact CA-O 3.4Å; R448-V480 HydrophobicContact CG-CB 4.27Å; R448-V480 WeakPolarHBondContact CG-O 3.42Å; R448-V480 PolarHBondContact N-O 2.91Å; R448-V480 WeakPolarHBondContact O-CA 3.22Å; R448-V480 VanDerWaalsContact O-CB 3.31Å; R448-V480 WeakPolarHBondContact O-CB 3.41Å; R448-V480 WeakPolarHBondContact O-CG2 3.03Å; R448-V480 PolarHBondContact O-N 2.82Å; V480-A482 PolarHBondContact O-N 2.88Å
481R36Very low34.2Very low88 Ų88110.3 Ų110.333%0.33256%0.558SS.*EExtended strand (participates in β ladder)trans-72.9121.3178-159.6118.4-175.6-152.1-4.4111.8Y42 N43 G445 S446 W447Y42-R481 HydrophobicContact CD2-CB 4.38Å; Y42-R481 HydrophobicContact CD2-CG 4.06Å; Y42-R481 VanDerWaalsContact CE2-NH1 3.33Å; N43-R481 PolarHBondContact OD1-N 3.1Å; G445-R481 PolarHBondContact O-NE 3.17Å; G445-R481 PolarHBondContact O-NH2 2.99Å; S446-R481 CarbonylContact O-C 3.56Å; S446-R481 VanDerWaalsContact O-CA 3.26Å; S446-R481 WeakPolarHBondContact O-CA 3.26Å; W447-R481 HydrophobicContact CB-CB 4.37Å; W447-R481 HydrophobicContact CD2-CB 3.68Å; W447-R481 HydrophobicContact CE3-CB 4.16Å; W447-R481 VanDerWaalsContact CE3-N 3.25Å; W447-R481 HydrophobicContact CG-CB 3.69Å; W447-R481 HydrophobicContact CG-CG 4.15Å
482A47Very low34.1Very low12 Ų12108 Ų10810%0.09956%0.561CS.*EExtended strand (participates in β ladder)trans-151.3166.1-159.700000117.3S446 R448 V480S446-A482 PolarHBondContact N-O 3.14Å; S446-A482 VanDerWaalsContact N-O 3.15Å; S446-A482 PolarHBondContact O-N 2.79Å; R448-A482 HydrophobicContact CG-CB 3.83Å; V480-A482 PolarHBondContact O-N 2.88Å
483I35.1Very low33.8Very low76 Ų76111.3 Ų111.339%0.3957%0.573SS.*  -168.9132.7-119.5-91.2171.3000107.1G441G441-I483 CarbonylContact O-C 3.37Å; G441-I483 WeakPolarHBondContact O-CG2 3.48Å; G441-I483 VanDerWaalsContact O-O 3.07Å
484S35.9Very low33.7Very low87 Ų87113.3 Ų113.361%0.60858%0.579SS**  trans-139.4156.8170.1-169.70000114.4G442 P443 E486G442-S484 CarbonylContact C-O 3.44Å; G442-S484 VanDerWaalsContact CA-O 3.31Å; G442-S484 WeakPolarHBondContact CA-O 3.45Å; P443-S484 VanDerWaalsContact CD-N 3.32Å; P443-S484 WeakPolarHBondContact CD-O 3.46Å; P443-S484 WeakPolarHBondContact CG-O 3.34Å; P443-S484 VanDerWaalsContact N-O 3.16Å; S484-E486 VanDerWaalsContact C-N 3.34Å; S484-E486 PolarHBondContact O-N 3.36Å
485Q34.4Very low33.3Very low131 Ų131109.9 Ų109.961%0.61258%0.575SS**SBendtrans-72.210.2-150.6-156.9161.9-29.700119.5G442G442-Q485 VanDerWaalsContact N-CA 3.32Å; G442-Q485 VanDerWaalsContact N-N 3.14Å
486E30.3Very low33.2Very low123 Ų123109.9 Ų109.958%0.57558%0.582SS**  trans-136.2108.1-163.2-65-166.4133.400114.3S484 Q488S484-E486 VanDerWaalsContact C-N 3.34Å; S484-E486 PolarHBondContact O-N 3.36Å; E486-Q488 HydrophobicContact CB-CB 3.82Å; E486-Q488 HydrophobicContact CB-CG 3.87Å; E486-Q488 HydrophobicContact CG-CB 4.1Å; E486-Q488 HydrophobicContact CG-CG 3.87Å; E486-Q488 PolarHBondContact O-N 3.37Å; E486-Q488 VanDerWaalsContact OE1-CD 3.24Å; E486-Q488 PolarHBondContact OE1-NE2 2.8Å
487D37.3Very low32.8Very low160 Ų160112 Ų11286%0.85659%0.591SS**  trans-76.525.8144.7-73.1-56.7000110.4L489D487-L489 PolarHBondContact O-N 3.38Å
488Q30.3Very low32.5Very low125 Ų125115.7 Ų115.758%0.58461%0.614SS**  trans-90.897.1-173.7-55.3-16856.400110.4E486E486-Q488 HydrophobicContact CB-CB 3.82Å; E486-Q488 HydrophobicContact CB-CG 3.87Å; E486-Q488 HydrophobicContact CG-CB 4.1Å; E486-Q488 HydrophobicContact CG-CG 3.87Å; E486-Q488 PolarHBondContact O-N 3.37Å; E486-Q488 VanDerWaalsContact OE1-CD 3.24Å; E486-Q488 PolarHBondContact OE1-NE2 2.8Å
489L26.2Very low32.2Very low167 Ų167117.7 Ų117.787%0.87464%0.635SS**  trans76.9114154.8-48.5171.1000117.5D487D487-L489 PolarHBondContact O-N 3.38Å
490A24.3Very low31.6Very low93 Ų93119 Ų11977%0.76965%0.647SS**  trans-91.8-173.4159.300000109.7
491P30.6Very low31.1Very low115 Ų115126.5 Ų126.575%0.74767%0.67SS**  cis-128.1-171.4-19.839-22.3000112
492C25.8Very low30.7Very low131 Ų131127.8 Ų127.889%0.88569%0.688SS**  trans-168.9150138-1110000113.4
493W24.2Very low30Very low216 Ų216137.8 Ų137.882%0.81872%0.723SS**  trans-101.5172.9176.1-82.669.1000111.1F549W493-F549 VanDerWaalsContact CE3-O 3.25Å
494Q27Very low29.7Very low144 Ų144139.4 Ų139.467%0.67374%0.741SS**  144.6135127.1-72-170.5-61.500112.7G548 F549Q494-G548 PolarHBondContact NE2-O 3.17Å; Q494-F549 WeakPolarHBondContact CA-O 3.3Å; Q494-F549 HydrophobicContact CB-CB 3.75Å; Q494-F549 HydrophobicContact CG-CB 3.65Å
495A23.7Very low29.5Very low62 Ų62139.2 Ų139.251%0.51275%0.745SS.*  trans-101161.5175.200000112.3F549A495-F549 VanDerWaalsContact O-CD1 3.24Å; A495-F549 WeakPolarHBondContact O-CD1 3.27Å; A495-F549 WeakPolarHBondContact O-CG 3.44Å
496E29.1Very low29.3Very low158 Ų158143 Ų14374%0.73876%0.76SS**  trans-163.6158.2147.8-87.4-126.6102.800111.5F549E496-F549 HydrophobicContact CG-CD1 3.88Å; E496-F549 HydrophobicContact CG-CE1 3.4Å; E496-F549 VanDerWaalsContact CG-CE1 3.4Å; E496-F549 HydrophobicContact CG-CE2 4.1Å; E496-F549 HydrophobicContact CG-CG 4.43Å; E496-F549 HydrophobicContact CG-CZ 3.52Å; E496-F549 WeakPolarHBondContact OE1-CE1 3.43Å; E496-F549 VanDerWaalsContact OE1-CZ 3.27Å; E496-F549 WeakPolarHBondContact OE1-CZ 3.3Å
497H26.4Very low29.4Very low186 Ų186141.6 Ų141.686%0.86177%0.769SS**  trans-97.3-150.6-171.3-82.2-86.2000113.6
498P34.3Very low29.2Very low121 Ų121138.7 Ų138.779%0.78677%0.767SS**  -123.2165.7-106.238.5-20.1000115
499A33.4Very low29.4Very low107 Ų107139 Ų13988%0.88478%0.78SS**  trans-147.414116900000114.8
500E30.4Very low29.9Very low155 Ų155135.9 Ų135.972%0.72477%0.772SS**  trans-83.6156.5179.1-93.3-168.7101.100114.1
501R31Very low30.3Very low199 Ų199137.3 Ų137.375%0.75177%0.772SS**  trans72.6108.4143-77.7177.3-158.1-146.65.4122.8
502V29Very low30.6Very low116 Ų116138.3 Ų138.370%0.70377%0.771SS**  73.3128.1111172.40000120.6
503R31Very low31.2Very low221 Ų221136.3 Ų136.383%0.83476%0.758SS**  trans87.296.6156.8-81.5163.9-163.2-1734.6120.8
504S29.3Very low31.8Very low111 Ų111132.5 Ų132.578%0.77675%0.754SS**  63.6126.7107.5-54.90000122.7
505A31.5Very low32.2Very low82 Ų82134.2 Ų134.268%0.67876%0.762SS**  trans106.9112.3133.300000119.6
506F29.6Very low32.6Very low212 Ų212135.1 Ų135.193%0.9378%0.777SS**  trans36.8128.5137.9-61.6-87000119.1
507A33.1Very low32.9Very low92 Ų92134.3 Ų134.376%0.7678%0.783SS**  -176.3155.651.900000114.6
508A32.1Very low33.2Very low99 Ų99131.1 Ų131.182%0.81878%0.779SS**  trans60.1140149.600000122.7
509P34.6Very low33.1Very low131 Ų131135.9 Ų135.985%0.85179%0.787SS**  trans-115.9168.6178.142.7-33.4000115.3
510S36.6Very low32.9Very low103 Ų103142.2 Ų142.272%0.7279%0.788SS**  trans-162.6131.2163.157.50000113.4
511T33.9Very low32.9Very low123 Ų123139.6 Ų139.676%0.75579%0.793SS**  trans49.6141.1146.651.80000119.8
512D36Very low32.9Very low136 Ų136141.9 Ų141.973%0.72780%0.802SS**  cis-161171.140.3-133.5-41.6000114.5
513S38.5Very low33Very low89 Ų89143.3 Ų143.362%0.62281%0.806SS**  trans-29.2172.6162.755.40000120.5
514D37.2Very low33Very low136 Ų136141 Ų14173%0.72780%0.804SS**  cis-156.1-170.714-140.7-26.4000115.1
515Q34.7Very low33.2Very low180 Ų180143.2 Ų143.284%0.84180%0.802SS**  trans-79.5165.5-163.7-64154.25700119.8
516G33.3Very low33.1Very low80 Ų80147 Ų14783%0.82581%0.806SS**  trans-175.6114.4163.500000117.2
517T34.8Very low33.1Very low141 Ų141143.6 Ų143.687%0.86581%0.807SS**  trans-70.7157.6-169.960000118.9
518P33.8Very low33.1Very low119 Ų119143.9 Ų143.977%0.77381%0.81SS**  trans-105.9170.6175.640.1-33.9000116
519F30.6Very low33.3Very low221 Ų221145 Ų14597%0.96981%0.808SS**  trans-129.3165.3179.8-112.7-90.7000115.2
520R30.3Very low33.4Very low240 Ų240145 Ų14591%0.90681%0.806SS**  trans-82159.9-166.7-78.2176.5164.6171.1-6.2116.9
521A29.3Very low33.4Very low100 Ų100146.3 Ų146.383%0.82682%0.815SS**  trans-85.8171.7170.400000114.9
522R31.3Very low33.3Very low248 Ų248143.9 Ų143.994%0.93681%0.814SS**  trans-148.2162.4169.5-112.3-175-179.91760.5111.6
523D31.2Very low33.1Very low146 Ų146143.4 Ų143.478%0.78182%0.819SS**  trans-100.9167.9-156.3-71.6-65.8000118.1
524E30.9Very low32.5Very low171 Ų171145.7 Ų145.780%0.79983%0.833SS**  trans61.3123.6143.1-80.1-175.7148.200122.7
525Q34.2Very low31.9Very low158 Ų158147 Ų14774%0.73884%0.839SS**  179128.6102-96.4174.2-4.600116.5
526Q29.4Very low31.4Very low162 Ų162144.9 Ų144.976%0.75784%0.843SS**  trans49119.5134.7-63.4167.1-4.600123.5
527C29.6Very low31.1Very low140 Ų140144.2 Ų144.295%0.94684%0.836SS**  -170.3157.5113.9-94.90000112.7
528A32.7Very low30.7Very low99 Ų99144.7 Ų144.782%0.81883%0.832SS**  trans-115.8168.8-165.600000113.9
529P37Very low30.3Very low121 Ų121146.1 Ų146.179%0.78683%0.829SS**  trans-107.7163.4-15540.3-36000116.6
530T35.5Very low30.1Very low133 Ų133141.8 Ų141.882%0.81682%0.815SS**  trans-148.1144.7163.738.30000114.3
531S36.3Very low29.9Very low129 Ų129138 Ų13890%0.90281%0.807SS**  trans76142.6164.174.30000119.3
532G32.2Very low29.7Very low72 Ų72137.6 Ų137.674%0.74280%0.798SS**  trans-110.2-162.6-16800000115
533P32.7Very low29.6Very low127 Ų127130 Ų13083%0.82578%0.783SS**  trans-109.8152.2-133.638.4-35.6000116.4
534C26.1Very low29.7Very low136 Ų136131.9 Ų131.992%0.91979%0.787SS**  trans-152.9166.5155.2-105.50000112.4
535L23.8Very low29.6Very low164 Ų164132.9 Ų132.986%0.85979%0.789SS**  trans-87.5171.5-168.4-68.6146.9000113.9
536C23.9Very low29.4Very low136 Ų136131.3 Ų131.392%0.91979%0.793SS**  trans105.8135.2154.9-58.10000118.6
537G28.3Very low29.3Very low65 Ų65129.1 Ų129.167%0.6779%0.793SS**  trans140.7109.7-175.600000108.3
538L25.2Very low29.1Very low151 Ų151124.9 Ų124.979%0.79177%0.773SS**  cis53.8133.142-52.7175000110.8
539H25.5Very low29Very low150 Ų150126.9 Ų126.969%0.69476%0.763SS**  cis-168.8157.78.5-127.2-44.2000108.1
540L26.4Very low28.6Very low130 Ų130127.2 Ų127.268%0.68176%0.762SS**  trans61.1168.7155.9-92.360.8000115.6
541E26.9Very low28.2Very low159 Ų159126.9 Ų126.974%0.74376%0.759SS**  cis-150.2171.31.4-140.1158.1-173.500111.5
542S25.7Very low27.7Very low92 Ų92126.8 Ų126.864%0.64375%0.752SS**  trans-7.3145156.557.10000119.1
543S29Very low27.5Very low88 Ų88130 Ų13062%0.61575%0.752SS**  -174.3148.569.5-67.40000115.2
544Q31.8Very low27.2Very low186 Ų186130.2 Ų130.287%0.86975%0.748SS**  trans67.6112.4142.8-67.1164.628.800121
545F29Very low27.2Very low192 Ų192129.8 Ų129.884%0.84274%0.736SS**  trans-67167.4158.3-75.9-96.5000112
546P30.1Very low27.5Very low125 Ų125127.4 Ų127.481%0.81273%0.727SS**  -124.2170.888.91.320.6000114.8
547P27.9Very low27.7Very low117 Ų117126.7 Ų126.776%0.7671%0.713SS**  trans-110165.9-164.340.6-33.8000115.9
548G26.2Very low27.7Very low51 Ų51131.8 Ų131.853%0.52672%0.716SS.*  trans117.990.2147.300000117.5Q494Q494-G548 PolarHBondContact NE2-O 3.17Å
549F28.9Very low27.9Very low141 Ų141130.1 Ų130.162%0.61871%0.709SS**  -177.80128-102-63.7000109.8W493 Q494 A495 E496W493-F549 VanDerWaalsContact CE3-O 3.25Å; Q494-F549 WeakPolarHBondContact CA-O 3.3Å; Q494-F549 HydrophobicContact CB-CB 3.75Å; Q494-F549 HydrophobicContact CG-CB 3.65Å; A495-F549 VanDerWaalsContact O-CD1 3.24Å; A495-F549 WeakPolarHBondContact O-CD1 3.27Å; A495-F549 WeakPolarHBondContact O-CG 3.44Å; E496-F549 HydrophobicContact CG-CD1 3.88Å; E496-F549 HydrophobicContact CG-CE1 3.4Å; E496-F549 VanDerWaalsContact CG-CE1 3.4Å; E496-F549 HydrophobicContact CG-CE2 4.1Å; E496-F549 HydrophobicContact CG-CG 4.43Å; E496-F549 HydrophobicContact CG-CZ 3.52Å; E496-F549 WeakPolarHBondContact OE1-CE1 3.43Å; E496-F549 VanDerWaalsContact OE1-CZ 3.27Å; E496-F549 WeakPolarHBondContact OE1-CZ 3.3Å

Retrieved 549 of 549 residues in 2340.6 ms (Link to these results)

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