A0A087WT91_HUMAN Loading...

TBC1 domain family member 3F

AlphaFold DB , UniProt , Accession A0A087WT91, Species HUMAN (Homo sapiens, Human), Gene TBC1D3F, Length 495 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
1M51.8Low65.1Low210 Ų210115.6 Ų115.6100%1.03463%0.625SS**  0-18.50-92.4161.4163.100111.5V3M1-V3 PolarHBondContact O-N 3.16Å
2D56.7Low66.7Low118 Ų118108 Ų10863%0.63159%0.589SS**Hα-helixtrans-69.2-31.9-172.5-58.4-76.8000117.5V4 E5 V6D2-V4 VanDerWaalsContact C-N 3.33Å; D2-V4 PolarHBondContact O-N 3.07Å; D2-E5 PolarHBondContact O-N 3.07Å; D2-V6 WeakPolarHBondContact O-CB 3.38Å; D2-V6 WeakPolarHBondContact O-CG2 3.41Å; D2-V6 PolarHBondContact O-N 3.06Å
3V58Low68.3Low126 Ų126107.2 Ų107.276%0.76458%0.579SS**Hα-helixtrans-69.4-32.3-172.7-177.10000112.4M1 A7M1-V3 PolarHBondContact O-N 3.16Å; V3-A7 WeakPolarHBondContact O-CB 3.41Å; V3-A7 PolarHBondContact O-N 3.5Å; V3-A7 VanDerWaalsContact O-N 3.14Å
4V60.2Low69.7Low122 Ų122103.7 Ų103.774%0.73956%0.557SS**Hα-helixtrans-77.9-37.8-179.4179.90000111.1D2 G8D2-V4 VanDerWaalsContact C-N 3.33Å; D2-V4 PolarHBondContact O-N 3.07Å; V4-G8 PolarHBondContact O-N 3.46Å
5E61.7Low71.2Confident144 Ų14499.8 Ų99.867%0.67353%0.531SS*.Hα-helixtrans-68.3-41.9175.1-81.7-172.7144.600112.3D2 G8 S9D2-E5 PolarHBondContact O-N 3.07Å; E5-G8 PolarHBondContact O-N 3.45Å; E5-S9 WeakPolarHBondContact O-CB 3.43Å; E5-S9 PolarHBondContact O-N 3.34Å
6V62Low72.4Confident102 Ų102100.1 Ų100.162%0.61853%0.528SS*.Hα-helixtrans-64.8-41.3177.2173.60000111.1D2 W10D2-V6 WeakPolarHBondContact O-CB 3.38Å; D2-V6 WeakPolarHBondContact O-CG2 3.41Å; D2-V6 PolarHBondContact O-N 3.06Å; V6-W10 PolarHBondContact O-N 3.32Å; V6-W10 VanDerWaalsContact O-N 3.13Å
7A63.5Low73.5Confident39 Ų3998.7 Ų98.732%0.32252%0.522SS..Hα-helixtrans-63.6-47.5174.500000111.4V3 S9 W10 W11V3-A7 WeakPolarHBondContact O-CB 3.41Å; V3-A7 PolarHBondContact O-N 3.5Å; V3-A7 VanDerWaalsContact O-N 3.14Å; A7-S9 VanDerWaalsContact C-N 3.31Å; A7-S9 PolarHBondContact O-N 3.06Å; A7-W10 PolarHBondContact O-N 3.04Å; A7-W10 VanDerWaalsContact O-N 3.15Å; A7-W11 PolarHBondContact O-N 3.21Å
8G66.9Low74.6Confident41 Ų4193.9 Ų93.942%0.42350%0.496SS..Hα-helixtrans-58.7-39.3178.500000113.6V4 E5 A12V4-G8 PolarHBondContact O-N 3.46Å; E5-G8 PolarHBondContact O-N 3.45Å; G8-A12 WeakPolarHBondContact O-CB 3.49Å; G8-A12 PolarHBondContact O-N 3.27Å; G8-A12 VanDerWaalsContact O-N 3.09Å
9S75Confident75.5Confident83 Ų8389.9 Ų89.958%0.5848%0.475SS*.Hα-helixtrans-64.1-42.2174.6-179.50000112.3E5 A7 A12 Q13E5-S9 WeakPolarHBondContact O-CB 3.43Å; E5-S9 PolarHBondContact O-N 3.34Å; A7-S9 VanDerWaalsContact C-N 3.31Å; A7-S9 PolarHBondContact O-N 3.06Å; S9-A12 PolarHBondContact O-N 3.4Å; S9-Q13 PolarHBondContact O-N 3.36Å
10W80.5Confident76.4Confident153 Ų15389.9 Ų89.958%0.5847%0.473SS*.Hα-helixtrans-66.5-43.7178.7-167.276.8000112.7V6 A7 A12 Q13 E14V6-W10 PolarHBondContact O-N 3.32Å; V6-W10 VanDerWaalsContact O-N 3.13Å; A7-W10 PolarHBondContact O-N 3.04Å; A7-W10 VanDerWaalsContact O-N 3.15Å; W10-A12 VanDerWaalsContact C-N 3.29Å; W10-A12 PolarHBondContact O-N 3.18Å; W10-Q13 PolarHBondContact O-N 3.5Å; W10-E14 VanDerWaalsContact CH2-OE2 3.22Å; W10-E14 WeakPolarHBondContact CH2-OE2 3.43Å; W10-E14 VanDerWaalsContact CZ3-OE2 3.23Å; W10-E14 WeakPolarHBondContact CZ3-OE2 3.2Å; W10-E14 PolarHBondContact O-N 2.96Å
11W79.4Confident77.1Confident134 Ų13489.4 Ų89.451%0.50847%0.467SS..Hα-helixtrans-63.2-35.3175.1-63.5115.9000112.4A7 R15 Q143A7-W11 PolarHBondContact O-N 3.21Å; W11-R15 WeakPolarHBondContact O-CB 3.23Å; W11-R15 PolarHBondContact O-N 3.42Å; W11-Q143 VanDerWaalsContact CE3-NE2 3.3Å
12A85Confident79Confident24 Ų2479.5 Ų79.520%0.19842%0.418CS..Hα-helixtrans-66.7-45174.900000111.9G8 S9 W10 E14 R15 E16G8-A12 WeakPolarHBondContact O-CB 3.49Å; G8-A12 PolarHBondContact O-N 3.27Å; G8-A12 VanDerWaalsContact O-N 3.09Å; S9-A12 PolarHBondContact O-N 3.4Å; W10-A12 VanDerWaalsContact C-N 3.29Å; W10-A12 PolarHBondContact O-N 3.18Å; A12-E14 PolarHBondContact O-N 3.26Å; A12-R15 WeakPolarHBondContact O-CB 3.37Å; A12-R15 PolarHBondContact O-N 2.96Å; A12-E16 WeakPolarHBondContact O-CG 3.3Å; A12-E16 PolarHBondContact O-N 3.08Å
13Q87.3Confident80.6Confident98 Ų9878.4 Ų78.446%0.45841%0.409SS..Hα-helixtrans-61.3-45177-172.561.956.600111.7S9 W10 R15 E16 D17S9-Q13 PolarHBondContact O-N 3.36Å; W10-Q13 PolarHBondContact O-N 3.5Å; Q13-R15 VanDerWaalsContact C-N 3.34Å; Q13-R15 PolarHBondContact O-N 3.36Å; Q13-E16 PolarHBondContact O-N 3.44Å; Q13-D17 PolarHBondContact NE2-OD1 3.24Å; Q13-D17 PolarHBondContact O-N 3.42Å
14E87.7Confident82Confident58 Ų5878.1 Ų78.127%0.27140%0.398SS..Hα-helixtrans-67-36.5179.7-170.6171.1-177.900112.1W10 A12 D17 I18 Q143W10-E14 VanDerWaalsContact CH2-OE2 3.22Å; W10-E14 WeakPolarHBondContact CH2-OE2 3.43Å; W10-E14 VanDerWaalsContact CZ3-OE2 3.23Å; W10-E14 WeakPolarHBondContact CZ3-OE2 3.2Å; W10-E14 PolarHBondContact O-N 2.96Å; A12-E14 PolarHBondContact O-N 3.26Å; E14-D17 PolarHBondContact O-N 2.87Å; E14-I18 HydrophobicContact CG-CD1 4.41Å; E14-I18 WeakPolarHBondContact O-CG1 3.42Å; E14-I18 PolarHBondContact O-N 3.48Å; E14-Q143 PolarHBondContact OE1-NE2 3.37Å; E14-Q143 PolarHBondContact OE2-NE2 3.38Å
15R92.1Very high83.1Confident45 Ų4573 Ų7317%0.1737%0.369CS..Hα-helixtrans-59.6-48.1171.9174.8178.567.5-116.1-7.9111.1W11 A12 Q13 D17 I18 I19 K136 R137 I142W11-R15 WeakPolarHBondContact O-CB 3.23Å; W11-R15 PolarHBondContact O-N 3.42Å; A12-R15 WeakPolarHBondContact O-CB 3.37Å; A12-R15 PolarHBondContact O-N 2.96Å; Q13-R15 VanDerWaalsContact C-N 3.34Å; Q13-R15 PolarHBondContact O-N 3.36Å; R15-D17 VanDerWaalsContact C-N 3.32Å; R15-D17 PolarHBondContact O-N 2.71Å; R15-I18 PolarHBondContact O-N 3.13Å; R15-I19 HydrophobicContact CG-CD1 3.8Å; R15-I19 WeakPolarHBondContact O-CG1 3.37Å; R15-I19 PolarHBondContact O-N 3.25Å; R15-K136 WeakPolarHBondContact CD-O 3.29Å; R15-R137 PolarHBondContact NE-O 2.91Å; R15-R137 VanDerWaalsContact NE-O 3.14Å; R15-R137 PolarHBondContact NH2-O 2.96Å; R15-I142 HydrophobicContact CB-CG2 3.95Å; R15-I142 HydrophobicContact CG-CD1 3.72Å; R15-I142 HydrophobicContact CG-CG2 3.95Å
16E91.1Very high83.8Confident104 Ų10469.7 Ų69.749%0.48635%0.354SS..Hα-helixtrans-59.7-43.7176.9-74.9178.6-162.500111.3A12 Q13 I18 I19 M20A12-E16 WeakPolarHBondContact O-CG 3.3Å; A12-E16 PolarHBondContact O-N 3.08Å; Q13-E16 PolarHBondContact O-N 3.44Å; E16-I18 VanDerWaalsContact C-N 3.34Å; E16-I18 PolarHBondContact O-N 2.96Å; E16-I19 PolarHBondContact O-N 3.49Å; E16-M20 VanDerWaalsContact O-CB 3.3Å; E16-M20 WeakPolarHBondContact O-CB 3.31Å; E16-M20 WeakPolarHBondContact O-CG 3.35Å; E16-M20 PolarHBondContact O-N 3.14Å
17D91.1Very high84.1Confident77 Ų7771.7 Ų71.741%0.41235%0.35SS..Hα-helixtrans-60.7-42177.4-72.8-8.4000112.4Q13 E14 R15 K21Q13-D17 PolarHBondContact NE2-OD1 3.24Å; Q13-D17 PolarHBondContact O-N 3.42Å; E14-D17 PolarHBondContact O-N 2.87Å; R15-D17 VanDerWaalsContact C-N 3.32Å; R15-D17 PolarHBondContact O-N 2.71Å; D17-K21 VanDerWaalsContact O-CG 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.42Å; D17-K21 PolarHBondContact O-N 3.12Å; D17-K21 VanDerWaalsContact O-N 3.07Å
18I92.1Very high83.6Confident12 Ų1274.6 Ų74.66%0.06237%0.374CS..Hα-helixtrans-63.2-49.7175.3-68.8167.8000110E14 R15 E16 M20 K21 Y22 I142 Q143 D146E14-I18 HydrophobicContact CG-CD1 4.41Å; E14-I18 WeakPolarHBondContact O-CG1 3.42Å; E14-I18 PolarHBondContact O-N 3.48Å; R15-I18 PolarHBondContact O-N 3.13Å; E16-I18 VanDerWaalsContact C-N 3.34Å; E16-I18 PolarHBondContact O-N 2.96Å; I18-M20 VanDerWaalsContact C-N 3.3Å; I18-M20 PolarHBondContact O-N 2.92Å; I18-K21 WeakPolarHBondContact O-CB 3.44Å; I18-K21 PolarHBondContact O-N 3.08Å; I18-K21 VanDerWaalsContact O-N 3.11Å; I18-Y22 HydrophobicContact CG2-CD2 4.07Å; I18-Y22 HydrophobicContact CG2-CE2 4.01Å; I18-Y22 WeakPolarHBondContact O-CD2 3.45Å; I18-Y22 PolarHBondContact O-N 3.03Å; I18-I142 HydrophobicContact CB-CD1 4.21Å; I18-I142 HydrophobicContact CD1-CG2 4.31Å; I18-I142 HydrophobicContact CG2-CD1 3.94Å; I18-I142 HydrophobicContact CG2-CG1 4Å; I18-Q143 HydrophobicContact CD1-CG 3.91Å; I18-D146 HydrophobicContact CG2-CB 4.06Å
19I93.3Very high82.9Confident18 Ų1876 Ų769%0.09239%0.388CS..Hα-helixtrans-59.2-45.6-179.9-68.8166.1000110.4R15 E16 K21 Y22 E23 K136 I142R15-I19 HydrophobicContact CG-CD1 3.8Å; R15-I19 WeakPolarHBondContact O-CG1 3.37Å; R15-I19 PolarHBondContact O-N 3.25Å; E16-I19 PolarHBondContact O-N 3.49Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 3.31Å; I19-Y22 PolarHBondContact O-N 3.4Å; I19-E23 HydrophobicContact CG2-CG 4.13Å; I19-E23 WeakPolarHBondContact O-CG 3.2Å; I19-E23 PolarHBondContact O-N 3.06Å; I19-K136 HydrophobicContact CD1-CB 3.93Å; I19-K136 HydrophobicContact CD1-CG 4.32Å; I19-K136 WeakPolarHBondContact CD1-O 3.33Å; I19-I142 HydrophobicContact CD1-CD1 3.96Å; I19-I142 HydrophobicContact CG1-CD1 3.59Å
20M92.1Very high82.1Confident89 Ų8975.8 Ų75.844%0.43838%0.38SS..Hα-helixtrans-59.4-35.9177.8-75.2-60.5-60.800112.5E16 I18 E23 K24E16-M20 VanDerWaalsContact O-CB 3.3Å; E16-M20 WeakPolarHBondContact O-CB 3.31Å; E16-M20 WeakPolarHBondContact O-CG 3.35Å; E16-M20 PolarHBondContact O-N 3.14Å; I18-M20 VanDerWaalsContact C-N 3.3Å; I18-M20 PolarHBondContact O-N 2.92Å; M20-E23 PolarHBondContact O-N 3.5Å; M20-K24 WeakPolarHBondContact O-CB 3.33Å; M20-K24 VanDerWaalsContact O-CG 3.23Å; M20-K24 WeakPolarHBondContact O-CG 3.49Å; M20-K24 PolarHBondContact O-N 2.95Å
21K91.7Very high80.9Confident81 Ų8173 Ų7335%0.35238%0.382SS..Hα-helixtrans-63.8-44.3173.5-72.6165.8-178.1172.30111.6D17 I18 I19 G25 Y163D17-K21 VanDerWaalsContact O-CG 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.42Å; D17-K21 PolarHBondContact O-N 3.12Å; D17-K21 VanDerWaalsContact O-N 3.07Å; I18-K21 WeakPolarHBondContact O-CB 3.44Å; I18-K21 PolarHBondContact O-N 3.08Å; I18-K21 VanDerWaalsContact O-N 3.11Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 3.31Å; K21-G25 PolarHBondContact O-N 2.92Å; K21-Y163 HydrophobicContact CB-CD1 4.17Å; K21-Y163 HydrophobicContact CB-CE1 3.85Å; K21-Y163 HydrophobicContact CB-CE2 4.42Å
22Y91.3Very high79.7Confident2 Ų272.1 Ų72.11%0.00838%0.383CS..Hα-helixtrans-68.7-36.2176.6-81.6-90.5000113I18 I19 G25 D146 V149 R162 Y163 Q167 R168 L171I18-Y22 HydrophobicContact CG2-CD2 4.07Å; I18-Y22 HydrophobicContact CG2-CE2 4.01Å; I18-Y22 WeakPolarHBondContact O-CD2 3.45Å; I18-Y22 PolarHBondContact O-N 3.03Å; I19-Y22 PolarHBondContact O-N 3.4Å; Y22-G25 PolarHBondContact O-N 3.4Å; Y22-D146 HydrophobicContact CE2-CB 4.44Å; Y22-D146 WeakPolarHBondContact CE2-OD1 3.48Å; Y22-D146 VanDerWaalsContact CZ-OD1 3.26Å; Y22-D146 PolarHBondContact OH-OD1 3.41Å; Y22-V149 HydrophobicContact CE1-CG1 4.17Å; Y22-V149 VanDerWaalsContact OH-CG1 3.31Å; Y22-V149 WeakPolarHBondContact OH-CG1 3.39Å; Y22-R162 PolarHBondContact OH-NH1 3.39Å; Y22-Y163 HydrophobicContact CD1-CD1 4.02Å; Y22-Y163 AromaticContact CD2-CD1 3.76Å; Y22-Y163 HydrophobicContact CD2-CD1 3.76Å; Y22-Y163 HydrophobicContact CD2-CE1 4.02Å; Y22-Y163 HydrophobicContact CE1-CD1 4.01Å; Y22-Y163 AromaticContact CE2-CD1 3.74Å; Y22-Y163 HydrophobicContact CE2-CD1 3.74Å; Y22-Y163 AromaticContact CE2-CE1 3.74Å; Y22-Y163 HydrophobicContact CE2-CE1 3.74Å; Y22-Y163 AromaticContact CG-CD1 3.92Å; Y22-Y163 HydrophobicContact CG-CD1 3.92Å; Y22-Y163 AromaticContact CZ-CD1 3.86Å; Y22-Q167 HydrophobicContact CE1-CB 4.21Å; Y22-R168 HydrophobicContact CD1-CB 4.02Å; Y22-R168 HydrophobicContact CD1-CG 4.38Å; Y22-R168 WeakPolarHBondContact O-CD 3.36Å; Y22-L171 HydrophobicContact CD1-CB 4.23Å; Y22-L171 HydrophobicContact CD1-CD2 3.77Å; Y22-L171 HydrophobicContact CD2-CD2 3.42Å; Y22-L171 VanDerWaalsContact CD2-CD2 3.42Å; Y22-L171 HydrophobicContact CE1-CB 4.05Å; Y22-L171 HydrophobicContact CE1-CD2 4.07Å; Y22-L171 HydrophobicContact CE2-CD2 3.77Å; Y22-L171 HydrophobicContact CG-CD2 3.41Å; Y22-L171 VanDerWaalsContact CG-CD2 3.41Å
23E89.8Confident78.1Confident94 Ų9471.7 Ų71.744%0.43938%0.378SS..Hα-helixtrans-69.5-38.6177.5-71.6-173.2168.100112.3I19 M20 G25 K136I19-E23 HydrophobicContact CG2-CG 4.13Å; I19-E23 WeakPolarHBondContact O-CG 3.2Å; I19-E23 PolarHBondContact O-N 3.06Å; M20-E23 PolarHBondContact O-N 3.5Å; E23-G25 PolarHBondContact O-N 3.43Å; E23-K136 IonicContact OE1-NZ 2.87Å; E23-K136 PolarHBondContact OE1-NZ 2.89Å
24K88.3Confident76.3Confident121 Ų12175 Ų7553%0.52639%0.39SS..Hα-helixtrans-60.6-27.1170.8-77.1172.6-176.9175.70112.7M20 R27M20-K24 WeakPolarHBondContact O-CB 3.33Å; M20-K24 VanDerWaalsContact O-CG 3.23Å; M20-K24 WeakPolarHBondContact O-CG 3.49Å; M20-K24 PolarHBondContact O-N 2.95Å; K24-R27 PolarHBondContact O-NE 3.28Å
25G83.3Confident74.6Confident13 Ų1374.1 Ų74.113%0.13440%0.398CS..  trans67.9-179.7-177.500000112.8K21 Y22 E23 R27 Y163K21-G25 PolarHBondContact O-N 2.92Å; Y22-G25 PolarHBondContact O-N 3.4Å; E23-G25 PolarHBondContact O-N 3.43Å; G25-R27 PolarHBondContact O-N 3.34Å; G25-Y163 CarbonylContact C-O 3.53Å; G25-Y163 WeakPolarHBondContact CA-O 3.26Å
26H77.1Confident72.6Confident76 Ų7677.2 Ų77.235%0.35242%0.423SS..  trans-64.7122.7175.3-173.858.1000111.2D33 R162 Y163H26-D33 IonicContact CE1-OD1 3.98Å; H26-D33 VanDerWaalsContact ND1-CG 3.28Å; H26-D33 IonicContact ND1-OD1 3.01Å; H26-D33 PolarHBondContact ND1-OD1 2.77Å; H26-D33 IonicContact ND1-OD2 3.62Å; H26-R162 VanDerWaalsContact CB-O 3.32Å; H26-R162 WeakPolarHBondContact CB-O 3.35Å; H26-R162 PolarHBondContact ND1-O 2.83Å; H26-R162 VanDerWaalsContact ND1-O 3.13Å; H26-Y163 PolarHBondContact N-O 3.28Å; H26-Y163 VanDerWaalsContact N-O 3.11Å
27R67.4Low70.5Confident144 Ų14481.1 Ų81.154%0.54344%0.439SS..  trans-122107.8173.9-66.1-175.6-176.5-167.4-1.9109.4K24 G25 G29 L30 D33K24-R27 PolarHBondContact O-NE 3.28Å; G25-R27 PolarHBondContact O-N 3.34Å; R27-G29 PolarHBondContact O-N 3.01Å; R27-L30 HydrophobicContact CB-CD1 4.14Å; R27-L30 PolarHBondContact O-N 3.22Å; R27-D33 PolarHBondContact N-OD2 2.89Å
28A53.8Low68.3Low100 Ų10082.7 Ų82.783%0.82645%0.453SS*.THydrogen-bonded Turntrans-52.2115.6179.300000111.3
29G52Low66Low69 Ų6987.8 Ų87.871%0.71148%0.475SS*.THydrogen-bonded Turntrans119.6-10.1173.400000117R27R27-G29 PolarHBondContact O-N 3.01Å
30L57.9Low63.4Low80 Ų8098.4 Ų98.442%0.41951%0.514SS..  trans-75.6149.1175.4-72.5172000112.3R27 E32 D33 K34R27-L30 HydrophobicContact CB-CD1 4.14Å; R27-L30 PolarHBondContact O-N 3.22Å; L30-E32 VanDerWaalsContact C-N 3.29Å; L30-E32 PolarHBondContact O-N 2.62Å; L30-D33 HydrophobicContact CB-CB 4.12Å; L30-D33 CarbonylContact O-C 3.49Å; L30-D33 WeakPolarHBondContact O-CA 3.03Å; L30-D33 PolarHBondContact O-N 2.53Å; L30-K34 PolarHBondContact O-N 2.81Å
31P55.7Low61.1Low95 Ų9597.8 Ų97.862%0.61752%0.518SS*.G310 helixtrans-56.1-38.5178-23.933.8000113.7D33 K34P31-D33 VanDerWaalsContact C-N 3.27Å; P31-D33 PolarHBondContact O-N 3.04Å; P31-K34 WeakPolarHBondContact O-CB 3.29Å; P31-K34 PolarHBondContact O-N 2.94Å
32E53.2Low59.1Low114 Ų11498.7 Ų98.753%0.53352%0.52SS..G310 helixtrans-74.3-17.1176-56.8106.1152.400113.6L30L30-E32 VanDerWaalsContact C-N 3.29Å; L30-E32 PolarHBondContact O-N 2.62Å
33D52.6Low57.5Low16 Ų16100.8 Ų100.89%0.08653%0.532CS..G310 helixtrans-96.77.9177.4-86.1-32.5000112.8H26 R27 L30 P31 G35H26-D33 IonicContact CE1-OD1 3.98Å; H26-D33 VanDerWaalsContact ND1-CG 3.28Å; H26-D33 IonicContact ND1-OD1 3.01Å; H26-D33 PolarHBondContact ND1-OD1 2.77Å; H26-D33 IonicContact ND1-OD2 3.62Å; R27-D33 PolarHBondContact N-OD2 2.89Å; L30-D33 HydrophobicContact CB-CB 4.12Å; L30-D33 CarbonylContact O-C 3.49Å; L30-D33 WeakPolarHBondContact O-CA 3.03Å; L30-D33 PolarHBondContact O-N 2.53Å; P31-D33 VanDerWaalsContact C-N 3.27Å; P31-D33 PolarHBondContact O-N 3.04Å; D33-G35 PolarHBondContact O-N 3.42Å
34K49.1Very low56.2Low166 Ų16699.7 Ų99.772%0.72253%0.529SS*.  trans-7356.6170.7-67-174.7-179.4179.40111.5L30 P31L30-K34 PolarHBondContact O-N 2.81Å; P31-K34 WeakPolarHBondContact O-CB 3.29Å; P31-K34 PolarHBondContact O-N 2.94Å
35G51.9Low55.6Low41 Ų4194.2 Ų94.242%0.42351%0.505SS..  trans-60.5172.7156.900000111D33 K37D33-G35 PolarHBondContact O-N 3.42Å; G35-K37 PolarHBondContact O-N 2.93Å
36P49.8Very low55.4Low109 Ų10995.2 Ų95.271%0.70851%0.509SS*.SBendtrans-50.2132.6174.919.7-29.9000110
37K47Very low55.4Low187 Ų18793.4 Ų93.481%0.81350%0.501SS*.  trans-44.5140-170.5-67.2178.3179.2177.70111.4G35 F39G35-K37 PolarHBondContact O-N 2.93Å; K37-F39 PolarHBondContact O-N 2.86Å
38P44.2Very low55.8Low109 Ų10992.1 Ų92.171%0.70850%0.501SS*.  trans-59109.8176.622.9-31.4000109.3R40P38-R40 PolarHBondContact O-N 3.27Å
39F43.8Very low57Low120 Ų12088.4 Ų88.453%0.52647%0.468SS..  trans-71.8116175.2-139.7-92.3000107.5K37 S41 N45K37-F39 PolarHBondContact O-N 2.86Å; F39-S41 PolarHBondContact O-N 3.28Å; F39-N45 WeakPolarHBondContact CD1-ND2 3.04Å; F39-N45 WeakPolarHBondContact CE1-ND2 3.26Å
40R39.5Very low58.4Low240 Ų24085.7 Ų85.791%0.90644%0.44SS*.SBendtrans-68123.3-178.6-160.6-177.9-71-134.21.7107.8P38P38-R40 PolarHBondContact O-N 3.27Å
41S43.3Very low59.5Low76 Ų7683.2 Ų83.253%0.53143%0.427SS..  trans80.988.9-174.2-158.10000115.4F39 N43F39-S41 PolarHBondContact O-N 3.28Å; S41-N43 PolarHBondContact O-N 3.01Å
42Y50.9Low60.7Low100 Ų10080.3 Ų80.339%0.39241%0.407SS..THydrogen-bonded Turntrans-72.1-11.7179.2-64.2-67000114.6N44 V46 R160Y42-N44 VanDerWaalsContact C-N 3.35Å; Y42-N44 PolarHBondContact O-N 2.8Å; Y42-V46 VanDerWaalsContact O-CG2 3.24Å; Y42-V46 WeakPolarHBondContact O-CG2 3.27Å; Y42-R160 VanDerWaalsContact CE1-NH1 3.27Å; Y42-R160 VanDerWaalsContact CE1-NH2 3.34Å; Y42-R160 PolarHBondContact OH-NH2 2.87Å
43N57.7Low61.9Low47 Ų4778.1 Ų78.125%0.25140%0.397SS..THydrogen-bonded Turntrans-76.6-22.7-164.6-140.221.9000113.7S41 P467S41-N43 PolarHBondContact O-N 3.01Å; N43-P467 WeakPolarHBondContact ND2-CD 3.4Å
44N62.8Low63Low71 Ų7186 Ų8638%0.3843%0.433SS..SBendtrans-100.3-12.8-174.7-64.4-7.6000113.8Y42 E56 L57Y42-N44 VanDerWaalsContact C-N 3.35Å; Y42-N44 PolarHBondContact O-N 2.8Å; N44-E56 HydrophobicContact CB-CB 4.49Å; N44-E56 HydrophobicContact CB-CG 4.09Å; N44-E56 PolarHBondContact ND2-OE1 3.22Å; N44-E56 VanDerWaalsContact ND2-OE1 3.15Å; N44-L57 WeakPolarHBondContact O-CB 3.4Å; N44-L57 PolarHBondContact O-N 3.29Å
45N75.6Confident64.3Low6 Ų683 Ų833%0.03243%0.429CS..SBendtrans-1091.4-173.1-66.212.6000113F39 H53 E56F39-N45 WeakPolarHBondContact CD1-ND2 3.04Å; F39-N45 WeakPolarHBondContact CE1-ND2 3.26Å; N45-H53 PolarHBondContact O-N 2.97Å; N45-E56 WeakPolarHBondContact OD1-CA 3.39Å; N45-E56 VanDerWaalsContact OD1-CG 3.26Å; N45-E56 WeakPolarHBondContact OD1-CG 3.5Å; N45-E56 PolarHBondContact OD1-N 3.01Å
46V77.9Confident65.5Low34 Ų3487.3 Ų87.321%0.20644%0.438CS..BIsolated β-bridgetrans-111.3126.9-175.4-177.90000109.3Y42 I51 V52 L57 I157Y42-V46 VanDerWaalsContact O-CG2 3.24Å; Y42-V46 WeakPolarHBondContact O-CG2 3.27Å; V46-I51 WeakPolarHBondContact CA-O 3.33Å; V46-V52 HydrophobicContact CG2-CG2 4.14Å; V46-L57 VanDerWaalsContact C-CD1 3.5Å; V46-I157 HydrophobicContact CG2-CD1 4.23Å
47D76.9Confident66.6Low37 Ų3785.1 Ų85.120%0.19842%0.42CS..  trans-80.3172.6178.473.419.6000112.8L49 G50 I51 H53 L57D47-L49 PolarHBondContact O-N 3.41Å; D47-L49 WeakPolarHBondContact OD1-CA 3.25Å; D47-L49 WeakPolarHBondContact OD1-CB 3.45Å; D47-L49 PolarHBondContact OD1-N 2.95Å; D47-G50 PolarHBondContact O-N 3.14Å; D47-G50 PolarHBondContact OD1-N 3.47Å; D47-G50 VanDerWaalsContact OD1-N 3.14Å; D47-I51 PolarHBondContact N-O 2.84Å; D47-I51 WeakPolarHBondContact OD1-CB 3.28Å; D47-I51 PolarHBondContact OD1-N 3.29Å; D47-I51 WeakPolarHBondContact OD2-CB 3.44Å; D47-H53 IonicContact OD2-CE1 3.85Å; D47-H53 IonicContact OD2-NE2 3.74Å; D47-H53 PolarHBondContact OD2-NE2 3.25Å; D47-H53 VanDerWaalsContact OD2-NE2 3.16Å; D47-L57 HydrophobicContact CB-CD1 3.82Å
48H76.7Confident68Low117 Ų11781.1 Ų81.154%0.54241%0.413SS..THydrogen-bonded Turntrans-61.1-12.418073.5-73.9000114.9
49L78.1Confident69.5Low23 Ų2381.5 Ų81.512%0.1242%0.415CS..THydrogen-bonded Turntrans-100.42.2175.7-56.1177.4000112D47 I51 M104 H156 L279 G280D47-L49 PolarHBondContact O-N 3.41Å; D47-L49 WeakPolarHBondContact OD1-CA 3.25Å; D47-L49 WeakPolarHBondContact OD1-CB 3.45Å; D47-L49 PolarHBondContact OD1-N 2.95Å; L49-I51 HydrophobicContact CB-CG1 4.37Å; L49-M104 HydrophobicContact CD2-CE 3.33Å; L49-H156 PolarHBondContact O-CD2 3.33Å; L49-H156 VanDerWaalsContact O-CD2 3.27Å; L49-H156 PolarHBondContact O-NE2 3.23Å; L49-H156 VanDerWaalsContact O-NE2 3.08Å; L49-L279 HydrophobicContact CB-CD2 4.28Å; L49-L279 HydrophobicContact CD1-CB 4.21Å; L49-G280 VanDerWaalsContact CD1-N 3.26Å
50G81.5Confident70.7Confident12 Ų1279.6 Ų79.612%0.12441%0.41CS..SBendtrans8213.5-178.100000114.2D47 H156 I157D47-G50 PolarHBondContact O-N 3.14Å; D47-G50 PolarHBondContact OD1-N 3.47Å; D47-G50 VanDerWaalsContact OD1-N 3.14Å; G50-H156 CarbonylContact O-C 3.57Å; G50-H156 WeakPolarHBondContact O-CA 3.45Å; G50-I157 PolarHBondContact O-N 3.06Å
51I82.3Confident72.6Confident28 Ų2871.3 Ų71.314%0.14439%0.387CS..BIsolated β-bridgetrans-82.4128.4176.2-53.3-61.1000109.7V46 D47 L49 H53 K155 H156 L279V46-I51 WeakPolarHBondContact CA-O 3.33Å; D47-I51 PolarHBondContact N-O 2.84Å; D47-I51 WeakPolarHBondContact OD1-CB 3.28Å; D47-I51 PolarHBondContact OD1-N 3.29Å; D47-I51 WeakPolarHBondContact OD2-CB 3.44Å; L49-I51 HydrophobicContact CB-CG1 4.37Å; I51-H53 PolarHBondContact O-CD2 3.23Å; I51-H53 VanDerWaalsContact O-CD2 3.25Å; I51-K155 CarbonylContact C-O 3.51Å; I51-K155 WeakPolarHBondContact CA-O 3.18Å; I51-K155 HydrophobicContact CG2-CB 3.97Å; I51-H156 HydrophobicContact CD1-CB 4.18Å; I51-L279 HydrophobicContact CD1-CB 4.34Å; I51-L279 HydrophobicContact CD1-CD2 3.78Å; I51-L279 HydrophobicContact CG1-CD2 4.4Å
52V80.8Confident74.3Confident34 Ų3471.6 Ų71.621%0.20639%0.394CS..BIsolated β-bridgetrans-85.4129.2176.7-170.70000109.4V46 K155 I157V46-V52 HydrophobicContact CG2-CG2 4.14Å; V52-K155 PolarHBondContact N-O 3.03Å; V52-I157 HydrophobicContact CG2-CB 3.98Å; V52-I157 HydrophobicContact CG2-CG1 4.4Å
53H77.3Confident75.4Confident68 Ų6872.8 Ų72.832%0.31540%0.397SS..  trans-107.2152.6175.6-62-91.5000110.3N45 D47 I51 T55 L57N45-H53 PolarHBondContact O-N 2.97Å; D47-H53 IonicContact OD2-CE1 3.85Å; D47-H53 IonicContact OD2-NE2 3.74Å; D47-H53 PolarHBondContact OD2-NE2 3.25Å; D47-H53 VanDerWaalsContact OD2-NE2 3.16Å; I51-H53 PolarHBondContact O-CD2 3.23Å; I51-H53 VanDerWaalsContact O-CD2 3.25Å; H53-T55 VanDerWaalsContact C-N 3.3Å; H53-L57 HydrophobicContact CB-CD2 4.25Å
54E76.2Confident76.2Confident182 Ų18274.9 Ų74.985%0.8541%0.405SS*.SBendtrans-71.1-29.3-179.4-68.3179.2-179.800112.3
55T76.4Confident76.9Confident103 Ų10373 Ų7363%0.63240%0.4SS*.SBendtrans-112.5154.3-179.955.40000110.8H53 L57H53-T55 VanDerWaalsContact C-N 3.3Å; T55-L57 PolarHBondContact O-N 3.47Å
56E76.3Confident77.2Confident130 Ų13077.8 Ų77.861%0.60742%0.42SS*.PPolyproline II helixtrans-53.8134.8169.8-66.4-167.8143.100111.2N44 N45N44-E56 HydrophobicContact CB-CB 4.49Å; N44-E56 HydrophobicContact CB-CG 4.09Å; N44-E56 PolarHBondContact ND2-OE1 3.22Å; N44-E56 VanDerWaalsContact ND2-OE1 3.15Å; N45-E56 WeakPolarHBondContact OD1-CA 3.39Å; N45-E56 VanDerWaalsContact OD1-CG 3.26Å; N45-E56 WeakPolarHBondContact OD1-CG 3.5Å; N45-E56 PolarHBondContact OD1-N 3.01Å
57L73.4Confident77.2Confident63 Ų6379 Ų7933%0.3342%0.424SS..PPolyproline II helixtrans-73.7140.7177.5-71.3172.4000109.7N44 V46 D47 H53 T55N44-L57 WeakPolarHBondContact O-CB 3.4Å; N44-L57 PolarHBondContact O-N 3.29Å; V46-L57 VanDerWaalsContact C-CD1 3.5Å; D47-L57 HydrophobicContact CB-CD1 3.82Å; H53-L57 HydrophobicContact CB-CD2 4.25Å; T55-L57 PolarHBondContact O-N 3.47Å
58P77.1Confident77.3Confident103 Ų10378.8 Ų78.867%0.66942%0.422SS*.PPolyproline II helixtrans-61.6156172.128.3-34.5000110.3L60P58-L60 PolarHBondContact O-N 3.33Å
59P74.6Confident77.5Confident117 Ų11781 Ų8176%0.7643%0.426SS*.PPolyproline II helixtrans-52.9140.3173.1-25.133.6000111.5T61P59-T61 PolarHBondContact O-N 3.06Å; P59-T61 VanDerWaalsContact O-N 3.14Å
60L70.3Confident77.8Confident80 Ų8086.2 Ų86.242%0.41944%0.444SS..PPolyproline II helixtrans-47.3121.8177.2-87160.9000110.8P58 E64 I68 W468P58-L60 PolarHBondContact O-N 3.33Å; L60-E64 HydrophobicContact CD2-CB 3.77Å; L60-I68 HydrophobicContact CD2-CD1 3.94Å; L60-W468 HydrophobicContact CD1-CE3 4.43Å; L60-W468 HydrophobicContact CD1-CH2 3.87Å; L60-W468 HydrophobicContact CD1-CZ3 3.62Å
61T79.7Confident77.8Confident67 Ų6787.8 Ų87.841%0.41145%0.448SS..PPolyproline II helixtrans-67.5150.6175.965.40000109.8P59 R63 E64 A65P59-T61 PolarHBondContact O-N 3.06Å; P59-T61 VanDerWaalsContact O-N 3.14Å; T61-R63 PolarHBondContact O-N 3.46Å; T61-E64 WeakPolarHBondContact CB-OE2 3.04Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.17Å; T61-E64 PolarHBondContact N-OE2 3.5Å; T61-E64 PolarHBondContact O-N 3.27Å; T61-E64 VanDerWaalsContact OG1-CG 3.29Å; T61-E64 WeakPolarHBondContact OG1-CG 2.94Å; T61-E64 PolarHBondContact OG1-N 2.97Å; T61-E64 PolarHBondContact OG1-OE2 3.4Å; T61-A65 PolarHBondContact O-N 3.33Å
62A77.3Confident77.6Confident82 Ų8290.1 Ų90.168%0.67846%0.46SS*.Hα-helixtrans-54-27.9175.500000112.7K66A62-K66 VanDerWaalsContact O-CB 3.29Å; A62-K66 WeakPolarHBondContact O-CB 3.48Å; A62-K66 PolarHBondContact O-N 3.09Å
63R74.1Confident77.9Confident125 Ų12592.5 Ų92.547%0.47248%0.478SS..Hα-helixtrans-70.9-48.7175.8-177.8179.9171.5161.80.6112.2T61 K66 Q67 R334T61-R63 PolarHBondContact O-N 3.46Å; R63-K66 WeakPolarHBondContact O-CB 3.33Å; R63-K66 PolarHBondContact O-N 3.03Å; R63-K66 VanDerWaalsContact O-N 3.15Å; R63-Q67 PolarHBondContact O-N 3.13Å; R63-R334 VanDerWaalsContact NH2-CB 3.34Å; R63-R334 PolarHBondContact NH2-O 3.2Å
64E74.7Confident78.3Confident90 Ų9091.7 Ų91.742%0.42147%0.472SS..Hα-helixtrans-62.7-45.1177.1-71.7158.1149.400110.4L60 T61 K66 Q67 I68L60-E64 HydrophobicContact CD2-CB 3.77Å; T61-E64 WeakPolarHBondContact CB-OE2 3.04Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.17Å; T61-E64 PolarHBondContact N-OE2 3.5Å; T61-E64 PolarHBondContact O-N 3.27Å; T61-E64 VanDerWaalsContact OG1-CG 3.29Å; T61-E64 WeakPolarHBondContact OG1-CG 2.94Å; T61-E64 PolarHBondContact OG1-N 2.97Å; T61-E64 PolarHBondContact OG1-OE2 3.4Å; E64-K66 PolarHBondContact O-N 3.15Å; E64-Q67 WeakPolarHBondContact O-CA 3.49Å; E64-Q67 WeakPolarHBondContact O-CB 3.38Å; E64-Q67 PolarHBondContact O-N 3.36Å; E64-I68 WeakPolarHBondContact O-CG1 3.19Å; E64-I68 PolarHBondContact O-N 2.96Å
65A78.4Confident78.9Confident31 Ų3187.4 Ų87.426%0.25645%0.451SS..Hα-helixtrans-58.8-35.6173.400000112.4T61 R69T61-A65 PolarHBondContact O-N 3.33Å; A65-R69 WeakPolarHBondContact O-CB 3.43Å; A65-R69 VanDerWaalsContact O-CG 3.25Å; A65-R69 WeakPolarHBondContact O-CG 3.44Å; A65-R69 PolarHBondContact O-N 2.96Å; A65-R69 PolarHBondContact O-NE 3.04Å
66K82.1Confident79.5Confident108 Ų10886 Ų8647%0.4745%0.445SS..Hα-helixtrans-69.5-36.9173.6-174.5176.5-174.1173.80112A62 R63 E64 R70A62-K66 VanDerWaalsContact O-CB 3.29Å; A62-K66 WeakPolarHBondContact O-CB 3.48Å; A62-K66 PolarHBondContact O-N 3.09Å; R63-K66 WeakPolarHBondContact O-CB 3.33Å; R63-K66 PolarHBondContact O-N 3.03Å; R63-K66 VanDerWaalsContact O-N 3.15Å; E64-K66 PolarHBondContact O-N 3.15Å; K66-R70 WeakPolarHBondContact O-CB 3.36Å; K66-R70 VanDerWaalsContact O-CG 3.24Å; K66-R70 WeakPolarHBondContact O-CG 3.35Å; K66-R70 PolarHBondContact O-N 3.48Å
67Q78.1Confident80.3Confident59 Ų5984.8 Ų84.828%0.27644%0.438SS..Hα-helixtrans-67.1-48.8176.1178.9169.8-16.600111.3R63 E64 R69 R70 E71R63-Q67 PolarHBondContact O-N 3.13Å; E64-Q67 WeakPolarHBondContact O-CA 3.49Å; E64-Q67 WeakPolarHBondContact O-CB 3.38Å; E64-Q67 PolarHBondContact O-N 3.36Å; Q67-R69 VanDerWaalsContact C-N 3.33Å; Q67-R69 PolarHBondContact O-N 3.14Å; Q67-R70 CarbonylContact O-C 3.57Å; Q67-R70 WeakPolarHBondContact O-CA 3.41Å; Q67-R70 WeakPolarHBondContact O-CB 3.3Å; Q67-R70 PolarHBondContact O-N 3.37Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.34Å; Q67-E71 PolarHBondContact NE2-OE1 3.28Å; Q67-E71 PolarHBondContact O-N 2.88Å
68I77.4Confident81.2Confident33 Ų3381.8 Ų81.817%0.16942%0.422CS..Hα-helixtrans-56.7-47.7176.1-66.2167.7000110.2L60 E64 R70 E71 I72 Y472L60-I68 HydrophobicContact CD2-CD1 3.94Å; E64-I68 WeakPolarHBondContact O-CG1 3.19Å; E64-I68 PolarHBondContact O-N 2.96Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 3.34Å; I68-E71 WeakPolarHBondContact O-CB 3.17Å; I68-E71 PolarHBondContact O-N 3.2Å; I68-E71 VanDerWaalsContact O-N 3.11Å; I68-I72 HydrophobicContact CG2-CD1 3.88Å; I68-I72 HydrophobicContact CG2-CG1 4.43Å; I68-I72 WeakPolarHBondContact O-CG1 3.38Å; I68-I72 PolarHBondContact O-N 3.18Å; I68-Y472 WeakPolarHBondContact CG2-OH 3.37Å
69R81.8Confident82Confident164 Ų16479.2 Ų79.262%0.61940%0.404SS*.Hα-helixtrans-58.7-40.3175-77.3-176.7-72-178-4.1112.9A65 Q67 S73A65-R69 WeakPolarHBondContact O-CB 3.43Å; A65-R69 VanDerWaalsContact O-CG 3.25Å; A65-R69 WeakPolarHBondContact O-CG 3.44Å; A65-R69 PolarHBondContact O-N 2.96Å; A65-R69 PolarHBondContact O-NE 3.04Å; Q67-R69 VanDerWaalsContact C-N 3.33Å; Q67-R69 PolarHBondContact O-N 3.14Å; R69-S73 WeakPolarHBondContact O-CB 3.47Å; R69-S73 PolarHBondContact O-N 3.11Å
70R84.3Confident82.8Confident132 Ų13277.9 Ų77.950%0.49839%0.391SS..Hα-helixtrans-64.9-39.9175.4-77.2168.4171.6-173.1-4.2111.7K66 Q67 I68 S73 R74K66-R70 WeakPolarHBondContact O-CB 3.36Å; K66-R70 VanDerWaalsContact O-CG 3.24Å; K66-R70 WeakPolarHBondContact O-CG 3.35Å; K66-R70 PolarHBondContact O-N 3.48Å; Q67-R70 CarbonylContact O-C 3.57Å; Q67-R70 WeakPolarHBondContact O-CA 3.41Å; Q67-R70 WeakPolarHBondContact O-CB 3.3Å; Q67-R70 PolarHBondContact O-N 3.37Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 3.34Å; R70-S73 PolarHBondContact O-N 3.07Å; R70-S73 PolarHBondContact O-OG 2.82Å; R70-R74 WeakPolarHBondContact O-CG 3.48Å; R70-R74 PolarHBondContact O-N 3.4Å
71E81Confident84Confident44 Ų4474.5 Ų74.521%0.20637%0.373CS..Hα-helixtrans-64-49175.9-72173-165.300111Q67 I68 S73 R74 P103Q67-E71 WeakPolarHBondContact CG-OE1 3.34Å; Q67-E71 PolarHBondContact NE2-OE1 3.28Å; Q67-E71 PolarHBondContact O-N 2.88Å; I68-E71 WeakPolarHBondContact O-CB 3.17Å; I68-E71 PolarHBondContact O-N 3.2Å; I68-E71 VanDerWaalsContact O-N 3.11Å; E71-S73 VanDerWaalsContact C-N 3.31Å; E71-S73 PolarHBondContact O-N 3.38Å; E71-R74 WeakPolarHBondContact O-CB 3.37Å; E71-R74 PolarHBondContact O-N 2.98Å; E71-P103 WeakPolarHBondContact O-CG 3.36Å
72I79.5Confident84.5Confident78 Ų7872.4 Ų72.440%0.436%0.359SS..Hα-helixtrans-57.3-44.1175.5-63.5167.1000111.1I68 R74 K75 Y472I68-I72 HydrophobicContact CG2-CD1 3.88Å; I68-I72 HydrophobicContact CG2-CG1 4.43Å; I68-I72 WeakPolarHBondContact O-CG1 3.38Å; I68-I72 PolarHBondContact O-N 3.18Å; I72-R74 PolarHBondContact O-N 3.34Å; I72-K75 WeakPolarHBondContact O-CB 3.47Å; I72-K75 PolarHBondContact O-N 2.97Å; I72-Y472 HydrophobicContact CD1-CE2 4.33Å; I72-Y472 VanDerWaalsContact CD1-OH 3.28Å; I72-Y472 WeakPolarHBondContact CD1-OH 3.39Å; I72-Y472 HydrophobicContact CG1-CE1 4.36Å; I72-Y472 WeakPolarHBondContact CG1-OH 3.35Å
73S85.1Confident85.2Confident84 Ų8471 Ų7159%0.58735%0.353SS*.Hα-helixtrans-60.8-18.2-179.8770000113.9R69 R70 E71R69-S73 WeakPolarHBondContact O-CB 3.47Å; R69-S73 PolarHBondContact O-N 3.11Å; R70-S73 PolarHBondContact O-N 3.07Å; R70-S73 PolarHBondContact O-OG 2.82Å; E71-S73 VanDerWaalsContact C-N 3.31Å; E71-S73 PolarHBondContact O-N 3.38Å
74R87.6Confident86.1Confident50 Ų5069.3 Ų69.319%0.18935%0.353CS..THydrogen-bonded Turntrans-84-16.4177.3-65.9163-177177.1-4.2112.4R70 E71 I72 S76 K77 W78 K100 P103R70-R74 WeakPolarHBondContact O-CG 3.48Å; R70-R74 PolarHBondContact O-N 3.4Å; E71-R74 WeakPolarHBondContact O-CB 3.37Å; E71-R74 PolarHBondContact O-N 2.98Å; I72-R74 PolarHBondContact O-N 3.34Å; R74-S76 PolarHBondContact O-N 3.34Å; R74-K77 PolarHBondContact O-N 2.68Å; R74-W78 VanDerWaalsContact O-CD1 3.24Å; R74-W78 PolarHBondContact O-N 2.61Å; R74-K100 PolarHBondContact NH1-O 2.92Å; R74-P103 HydrophobicContact CB-CG 4.22Å
75K88.9Confident86.8Confident93 Ų9366.9 Ų66.940%0.40434%0.34SS..Hα-helixtrans-51.2-53.5-174.4-174.5-172.1179.4-176.30112.4I72 K77 W78 V79 N105 I106I72-K75 WeakPolarHBondContact O-CB 3.47Å; I72-K75 PolarHBondContact O-N 2.97Å; K75-K77 VanDerWaalsContact C-N 3.28Å; K75-K77 PolarHBondContact O-N 2.89Å; K75-W78 WeakPolarHBondContact O-CA 3.34Å; K75-W78 WeakPolarHBondContact O-CB 3.45Å; K75-W78 PolarHBondContact O-N 3.29Å; K75-V79 HydrophobicContact CG-CG2 4.26Å; K75-V79 PolarHBondContact O-N 3.29Å; K75-N105 WeakPolarHBondContact CE-ND2 3.14Å; K75-I106 HydrophobicContact CG-CD1 4.03Å; K75-I106 HydrophobicContact CG-CG1 4.28Å
76S88.9Confident87.4Confident73 Ų7371.6 Ų71.651%0.5136%0.357SS..Hα-helixtrans-52.8-46.1-176.7147.10000111.9R74 W78 V79 D80R74-S76 PolarHBondContact O-N 3.34Å; S76-W78 VanDerWaalsContact C-N 3.26Å; S76-W78 PolarHBondContact O-N 3.03Å; S76-V79 WeakPolarHBondContact O-CB 3.38Å; S76-V79 PolarHBondContact O-N 3.45Å; S76-V79 VanDerWaalsContact O-N 3.08Å; S76-D80 PolarHBondContact O-N 3.44Å
77K92.3Very high87.8Confident104 Ų10473.1 Ų73.145%0.45236%0.363SS..Hα-helixtrans-66.5-28.4-179.6-65.1178.9-179.6167.20113.4R74 K75 M81R74-K77 PolarHBondContact O-N 2.68Å; K75-K77 VanDerWaalsContact C-N 3.28Å; K75-K77 PolarHBondContact O-N 2.89Å; K77-M81 VanDerWaalsContact O-CG 3.32Å; K77-M81 WeakPolarHBondContact O-CG 3.29Å; K77-M81 PolarHBondContact O-N 3.17Å
78W93Very high88.4Confident1 Ų172 Ų720%0.00436%0.357CS..Hα-helixtrans-74.8-39.2173.3-76.1104.4000111.6R74 K75 S76 D80 M81 L82 L94 R97 M102 P103 I106 M110R74-W78 VanDerWaalsContact O-CD1 3.24Å; R74-W78 PolarHBondContact O-N 2.61Å; K75-W78 WeakPolarHBondContact O-CA 3.34Å; K75-W78 WeakPolarHBondContact O-CB 3.45Å; K75-W78 PolarHBondContact O-N 3.29Å; S76-W78 VanDerWaalsContact C-N 3.26Å; S76-W78 PolarHBondContact O-N 3.03Å; W78-D80 VanDerWaalsContact C-N 3.34Å; W78-M81 HydrophobicContact CB-CE 4.48Å; W78-M81 HydrophobicContact CD2-CE 3.58Å; W78-M81 HydrophobicContact CE3-CE 3.34Å; W78-M81 HydrophobicContact CG-CE 4.1Å; W78-M81 HydrophobicContact CH2-CE 4.42Å; W78-M81 HydrophobicContact CZ3-CE 3.8Å; W78-M81 PolarHBondContact O-N 2.87Å; W78-L82 WeakPolarHBondContact O-CG 3.47Å; W78-L82 PolarHBondContact O-N 3.44Å; W78-L94 HydrophobicContact CH2-CD1 4.39Å; W78-L94 HydrophobicContact CZ3-CD1 3.8Å; W78-R97 HydrophobicContact CH2-CB 3.95Å; W78-R97 HydrophobicContact CZ2-CB 3.66Å; W78-M102 HydrophobicContact CD2-CG 4.34Å; W78-M102 HydrophobicContact CE3-CG 4.42Å; W78-M102 HydrophobicContact CH2-CB 4.41Å; W78-M102 HydrophobicContact CH2-CE 3.88Å; W78-M102 HydrophobicContact CH2-CG 4.25Å; W78-M102 HydrophobicContact CZ2-CB 4.09Å; W78-M102 HydrophobicContact CZ2-CG 4.12Å; W78-M102 HydrophobicContact CZ3-CE 3.9Å; W78-M102 HydrophobicContact CZ3-CG 4.39Å; W78-P103 VanDerWaalsContact NE1-CD 3.29Å; W78-I106 HydrophobicContact CB-CB 4.43Å; W78-I106 HydrophobicContact CB-CD1 4.28Å; W78-I106 HydrophobicContact CB-CG1 4Å; W78-I106 HydrophobicContact CB-CG2 3.67Å; W78-I106 HydrophobicContact CD2-CG2 4.14Å; W78-I106 HydrophobicContact CE3-CG2 4.14Å; W78-I106 HydrophobicContact CG-CG2 3.97Å; W78-M110 HydrophobicContact CE3-CE 3.55Å; W78-M110 HydrophobicContact CE3-CG 4.4Å; W78-M110 HydrophobicContact CZ3-CE 3.78Å; W78-M110 HydrophobicContact CZ3-CG 4.08Å; W78-M110 HydrophobicContact CZ3-SD 4.32Å
79V92.7Very high88.8Confident48 Ų4874 Ų7429%0.29136%0.364SS..Hα-helixtrans-61.2-44.1172.9176.10000110.5K75 S76 M81 L82 G83 I106K75-V79 HydrophobicContact CG-CG2 4.26Å; K75-V79 PolarHBondContact O-N 3.29Å; S76-V79 WeakPolarHBondContact O-CB 3.38Å; S76-V79 PolarHBondContact O-N 3.45Å; S76-V79 VanDerWaalsContact O-N 3.08Å; V79-M81 VanDerWaalsContact C-N 3.28Å; V79-M81 PolarHBondContact O-N 3.44Å; V79-L82 WeakPolarHBondContact O-CB 3.49Å; V79-L82 PolarHBondContact O-N 3.48Å; V79-L82 VanDerWaalsContact O-N 3.1Å; V79-G83 PolarHBondContact O-N 3.35Å; V79-I106 HydrophobicContact CG2-CD1 3.93Å
80D92.4Very high89Confident89 Ų8971.6 Ų71.648%0.47637%0.372SS..Hα-helixtrans-59.6-38.8176.3-55.8-22.1000111.9S76 W78 G83 D84S76-D80 PolarHBondContact O-N 3.44Å; W78-D80 VanDerWaalsContact C-N 3.34Å; D80-G83 PolarHBondContact O-N 3.26Å; D80-D84 PolarHBondContact O-N 2.95Å
81M94Very high89.3Confident9 Ų966.3 Ų66.34%0.04436%0.356CS..Hα-helixtrans-71.2-31.3177.2-72.3-175.1-56.500112.8K77 W78 V79 D84 W85 Y88 R97K77-M81 VanDerWaalsContact O-CG 3.32Å; K77-M81 WeakPolarHBondContact O-CG 3.29Å; K77-M81 PolarHBondContact O-N 3.17Å; W78-M81 HydrophobicContact CB-CE 4.48Å; W78-M81 HydrophobicContact CD2-CE 3.58Å; W78-M81 HydrophobicContact CE3-CE 3.34Å; W78-M81 HydrophobicContact CG-CE 4.1Å; W78-M81 HydrophobicContact CH2-CE 4.42Å; W78-M81 HydrophobicContact CZ3-CE 3.8Å; W78-M81 PolarHBondContact O-N 2.87Å; V79-M81 VanDerWaalsContact C-N 3.28Å; V79-M81 PolarHBondContact O-N 3.44Å; M81-D84 CarbonylContact O-C 3.52Å; M81-W85 WeakPolarHBondContact O-CA 3.31Å; M81-W85 PolarHBondContact O-N 3.27Å; M81-Y88 HydrophobicContact CB-CD2 4.14Å; M81-Y88 HydrophobicContact CB-CG 4.17Å; M81-Y88 HydrophobicContact CG-CD1 4Å; M81-Y88 HydrophobicContact CG-CD2 4.06Å; M81-Y88 HydrophobicContact CG-CE1 4.32Å; M81-Y88 HydrophobicContact CG-CE2 4.36Å; M81-Y88 HydrophobicContact CG-CG 3.87Å; M81-R97 HydrophobicContact CE-CB 4.05Å; M81-R97 HydrophobicContact CE-CG 3.98Å; M81-R97 HydrophobicContact SD-CG 4.26Å
82L92.1Very high89.7Confident24 Ų2474.3 Ų74.313%0.12638%0.384CS..Hα-helixtrans-71.1-37.9173.9-74.6167.8000111.4W78 V79 D84 W85 P109 M110 V113W78-L82 WeakPolarHBondContact O-CG 3.47Å; W78-L82 PolarHBondContact O-N 3.44Å; V79-L82 WeakPolarHBondContact O-CB 3.49Å; V79-L82 PolarHBondContact O-N 3.48Å; V79-L82 VanDerWaalsContact O-N 3.1Å; L82-D84 VanDerWaalsContact C-N 3.34Å; L82-D84 PolarHBondContact O-N 3.08Å; L82-W85 PolarHBondContact O-N 3.15Å; L82-P109 HydrophobicContact CD1-CB 3.98Å; L82-M110 HydrophobicContact CD1-CE 4.44Å; L82-M110 HydrophobicContact CD2-CE 3.52Å; L82-M110 HydrophobicContact CD2-SD 4.14Å; L82-M110 HydrophobicContact CG-CE 3.68Å; L82-V113 HydrophobicContact CD2-CG1 4.32Å; L82-V113 HydrophobicContact CD2-CG2 3.77Å
83G91.1Very high90.3Very high52 Ų5277 Ų7754%0.53639%0.393SS..Hα-helixtrans-59.7-41.8177.600000113.1V79 D80V79-G83 PolarHBondContact O-N 3.35Å; D80-G83 PolarHBondContact O-N 3.26Å
84D91.9Very high90.7Very high89 Ų8973.1 Ų73.148%0.47637%0.366SS..THydrogen-bonded Turntrans-111.249.9177.5-70.4-17.2000111.8D80 M81 L82 E86 K87 Y88D80-D84 PolarHBondContact O-N 2.95Å; M81-D84 CarbonylContact O-C 3.52Å; L82-D84 VanDerWaalsContact C-N 3.34Å; L82-D84 PolarHBondContact O-N 3.08Å; D84-E86 VanDerWaalsContact C-N 3.27Å; D84-E86 PolarHBondContact O-N 3.24Å; D84-E86 VanDerWaalsContact O-N 3.15Å; D84-K87 HydrophobicContact CB-CB 4.21Å; D84-K87 HydrophobicContact CB-CD 4.32Å; D84-K87 WeakPolarHBondContact O-CB 3.4Å; D84-K87 PolarHBondContact O-N 3.01Å; D84-Y88 HydrophobicContact CB-CD2 3.93Å; D84-Y88 HydrophobicContact CB-CE2 3.85Å; D84-Y88 VanDerWaalsContact O-CD2 3.27Å; D84-Y88 WeakPolarHBondContact O-CD2 3.04Å; D84-Y88 PolarHBondContact O-N 3.31Å
85W91.2Very high90.9Very high39 Ų3973 Ų7315%0.14837%0.368CS..Hα-helixtrans-52.7-42.4-172.4178.2-121.8000113.9M81 L82 K87 Y88 K89 L94 M110 V113 L114M81-W85 WeakPolarHBondContact O-CA 3.31Å; M81-W85 PolarHBondContact O-N 3.27Å; L82-W85 PolarHBondContact O-N 3.15Å; W85-K87 PolarHBondContact O-N 2.98Å; W85-K87 VanDerWaalsContact O-N 3.17Å; W85-Y88 PolarHBondContact O-N 3.36Å; W85-K89 HydrophobicContact CD2-CB 3.96Å; W85-K89 HydrophobicContact CE3-CB 4.36Å; W85-K89 HydrophobicContact CH2-CB 4.03Å; W85-K89 HydrophobicContact CZ2-CB 3.6Å; W85-K89 HydrophobicContact CZ3-CB 4.39Å; W85-K89 WeakPolarHBondContact O-CB 3.33Å; W85-K89 PolarHBondContact O-N 2.89Å; W85-L94 HydrophobicContact CH2-CD2 3.69Å; W85-L94 HydrophobicContact CZ3-CD1 4.27Å; W85-L94 HydrophobicContact CZ3-CD2 3.78Å; W85-M110 HydrophobicContact CH2-SD 4.22Å; W85-M110 HydrophobicContact CZ3-CE 4.3Å; W85-M110 HydrophobicContact CZ3-SD 3.83Å; W85-V113 HydrophobicContact CD2-CB 4.18Å; W85-V113 HydrophobicContact CD2-CG2 3.93Å; W85-V113 HydrophobicContact CE3-CG2 4.07Å; W85-V113 HydrophobicContact CG-CB 4.39Å; W85-V113 HydrophobicContact CH2-CG2 4.12Å; W85-V113 HydrophobicContact CZ2-CB 4.31Å; W85-V113 HydrophobicContact CZ2-CG2 3.97Å; W85-V113 HydrophobicContact CZ3-CG2 4.17Å; W85-L114 HydrophobicContact CH2-CD2 3.62Å; W85-L114 HydrophobicContact CH2-CG 4.15Å; W85-L114 HydrophobicContact CZ2-CD2 4.13Å
86E89.7Confident91Very high131 Ų13171.4 Ų71.461%0.61236%0.364SS*.Hα-helixtrans-57.2-33.6-179.8-72.7-58.9114.500113.5D84 K89D84-E86 VanDerWaalsContact C-N 3.27Å; D84-E86 PolarHBondContact O-N 3.24Å; D84-E86 VanDerWaalsContact O-N 3.15Å; E86-K89 VanDerWaalsContact CD-NZ 3.25Å; E86-K89 IonicContact OE1-NZ 3Å; E86-K89 PolarHBondContact OE1-NZ 3.49Å; E86-K89 VanDerWaalsContact OE1-NZ 3.11Å; E86-K89 WeakPolarHBondContact OE2-CE 3.23Å; E86-K89 IonicContact OE2-NZ 3.58Å; E86-K89 PolarHBondContact OE2-NZ 2.99Å
87K91.3Very high91.2Very high139 Ų13970.7 Ų70.760%0.60435%0.35SS*.Hα-helixtrans-76.1-33.2176.3178.2-177.2177.8177.90112.3D84 W85D84-K87 HydrophobicContact CB-CB 4.21Å; D84-K87 HydrophobicContact CB-CD 4.32Å; D84-K87 WeakPolarHBondContact O-CB 3.4Å; D84-K87 PolarHBondContact O-N 3.01Å; W85-K87 PolarHBondContact O-N 2.98Å; W85-K87 VanDerWaalsContact O-N 3.17Å
88Y89.8Confident91.2Very high36 Ų3665.8 Ų65.814%0.14133%0.329CS..Hα-helixtrans-101.1-18.7-169.4-70.4-70.6000114.8M81 D84 W85 S90 S91 K93M81-Y88 HydrophobicContact CB-CD2 4.14Å; M81-Y88 HydrophobicContact CB-CG 4.17Å; M81-Y88 HydrophobicContact CG-CD1 4Å; M81-Y88 HydrophobicContact CG-CD2 4.06Å; M81-Y88 HydrophobicContact CG-CE1 4.32Å; M81-Y88 HydrophobicContact CG-CE2 4.36Å; M81-Y88 HydrophobicContact CG-CG 3.87Å; D84-Y88 HydrophobicContact CB-CD2 3.93Å; D84-Y88 HydrophobicContact CB-CE2 3.85Å; D84-Y88 VanDerWaalsContact O-CD2 3.27Å; D84-Y88 WeakPolarHBondContact O-CD2 3.04Å; D84-Y88 PolarHBondContact O-N 3.31Å; W85-Y88 PolarHBondContact O-N 3.36Å; Y88-S90 PolarHBondContact O-N 3.3Å; Y88-S90 VanDerWaalsContact O-N 3.09Å; Y88-S91 VanDerWaalsContact O-CB 3.29Å; Y88-S91 WeakPolarHBondContact O-CB 3.34Å; Y88-S91 PolarHBondContact O-N 3.15Å; Y88-S91 PolarHBondContact O-OG 3.43Å; Y88-K93 HydrophobicContact CD1-CD 4.49Å; Y88-K93 HydrophobicContact CE1-CD 3.93Å
89K85.9Confident91.1Very high75 Ų7566.3 Ų66.333%0.32633%0.331SS..THydrogen-bonded Turntrans-54.8-30.8-173.667.2-176.3-178.9-174.50115.2W85 E86W85-K89 HydrophobicContact CD2-CB 3.96Å; W85-K89 HydrophobicContact CE3-CB 4.36Å; W85-K89 HydrophobicContact CH2-CB 4.03Å; W85-K89 HydrophobicContact CZ2-CB 3.6Å; W85-K89 HydrophobicContact CZ3-CB 4.39Å; W85-K89 WeakPolarHBondContact O-CB 3.33Å; W85-K89 PolarHBondContact O-N 2.89Å; E86-K89 VanDerWaalsContact CD-NZ 3.25Å; E86-K89 IonicContact OE1-NZ 3Å; E86-K89 PolarHBondContact OE1-NZ 3.49Å; E86-K89 VanDerWaalsContact OE1-NZ 3.11Å; E86-K89 WeakPolarHBondContact OE2-CE 3.23Å; E86-K89 IonicContact OE2-NZ 3.58Å; E86-K89 PolarHBondContact OE2-NZ 2.99Å
90S85.6Confident91Very high113 Ų11368.2 Ų68.279%0.7934%0.335SS*.THydrogen-bonded Turntrans-11413.4177-53.70000112.9Y88Y88-S90 PolarHBondContact O-N 3.3Å; Y88-S90 VanDerWaalsContact O-N 3.09Å
91S90.5Very high90.8Very high22 Ų2264.2 Ų64.215%0.15432%0.315CS..  trans-82.5142-173.875.90000112.2Y88 K93 L94Y88-S91 VanDerWaalsContact O-CB 3.29Å; Y88-S91 WeakPolarHBondContact O-CB 3.34Å; Y88-S91 PolarHBondContact O-N 3.15Å; Y88-S91 PolarHBondContact O-OG 3.43Å; S91-K93 PolarHBondContact O-N 2.91Å; S91-K93 VanDerWaalsContact O-N 3.13Å; S91-L94 WeakPolarHBondContact O-CB 3.28Å; S91-L94 PolarHBondContact O-N 3.46Å; S91-L94 VanDerWaalsContact O-N 3.12Å; S91-L94 PolarHBondContact OG-N 3.45Å
92R89.9Confident90.7Very high212 Ų21263.9 Ų63.980%0.831%0.314SS*.Hα-helixtrans-57.5-25.8167.3-75.3-174.3-78.2179.2-5112.6I95 D96R92-I95 PolarHBondContact O-N 3.14Å; R92-D96 VanDerWaalsContact O-CB 3.3Å; R92-D96 WeakPolarHBondContact O-CB 3.38Å; R92-D96 PolarHBondContact O-N 3.24Å
93K92.6Very high90.6Very high135 Ų13562.9 Ų62.959%0.58731%0.309SS*.Hα-helixtrans-62.5-42.5176.9-72.1178.3177.51770111.3Y88 S91 D96 R97Y88-K93 HydrophobicContact CD1-CD 4.49Å; Y88-K93 HydrophobicContact CE1-CD 3.93Å; S91-K93 PolarHBondContact O-N 2.91Å; S91-K93 VanDerWaalsContact O-N 3.13Å; K93-D96 PolarHBondContact O-N 3.47Å; K93-R97 WeakPolarHBondContact O-CB 3.5Å; K93-R97 WeakPolarHBondContact O-CG 3.46Å; K93-R97 PolarHBondContact O-N 2.97Å; K93-R97 VanDerWaalsContact O-N 3.08Å
94L92.9Very high90.2Very high2 Ų262.9 Ų62.91%0.0130%0.295CS..Hα-helixtrans-61.3-51176.8177.364.1000111W78 W85 S91 D96 R97 A98 M110 L114 V291W78-L94 HydrophobicContact CH2-CD1 4.39Å; W78-L94 HydrophobicContact CZ3-CD1 3.8Å; W85-L94 HydrophobicContact CH2-CD2 3.69Å; W85-L94 HydrophobicContact CZ3-CD1 4.27Å; W85-L94 HydrophobicContact CZ3-CD2 3.78Å; S91-L94 WeakPolarHBondContact O-CB 3.28Å; S91-L94 PolarHBondContact O-N 3.46Å; S91-L94 VanDerWaalsContact O-N 3.12Å; S91-L94 PolarHBondContact OG-N 3.45Å; L94-D96 PolarHBondContact O-N 3Å; L94-R97 WeakPolarHBondContact O-CB 3.31Å; L94-R97 PolarHBondContact O-N 2.56Å; L94-R97 VanDerWaalsContact O-N 3.09Å; L94-A98 PolarHBondContact O-N 3.42Å; L94-M110 HydrophobicContact CD1-CE 4.41Å; L94-M110 HydrophobicContact CD1-SD 4.35Å; L94-L114 HydrophobicContact CD2-CD2 4.42Å; L94-V291 HydrophobicContact CD2-CG1 4.25Å; L94-V291 HydrophobicContact CG-CG1 4.02Å; L94-V291 HydrophobicContact CG-CG2 4.42Å
95I91.9Very high89.9Confident47 Ų4761.9 Ų61.924%0.24129%0.29CS..Hα-helixtrans-55.3-51.1177.1-63.4171000110.7R92 R97 A98 Y99 V291 E292R92-I95 PolarHBondContact O-N 3.14Å; I95-R97 PolarHBondContact O-N 3.49Å; I95-R97 VanDerWaalsContact O-N 3.15Å; I95-A98 WeakPolarHBondContact O-CB 3.12Å; I95-A98 PolarHBondContact O-N 3.45Å; I95-A98 VanDerWaalsContact O-N 3.14Å; I95-Y99 HydrophobicContact CG2-CD2 4Å; I95-Y99 HydrophobicContact CG2-CE2 3.83Å; I95-Y99 WeakPolarHBondContact O-CD2 3.46Å; I95-Y99 PolarHBondContact O-N 2.92Å; I95-V291 HydrophobicContact CB-CG1 4.47Å; I95-V291 HydrophobicContact CG1-CG1 3.85Å; I95-E292 WeakPolarHBondContact CG2-OE1 3.41Å
96D92.1Very high89.9Confident59 Ų5960.4 Ų60.432%0.31629%0.285SS..Hα-helixtrans-60.4-28.3-179.6-85.523.5000113.6R92 K93 L94 K100 R344R92-D96 VanDerWaalsContact O-CB 3.3Å; R92-D96 WeakPolarHBondContact O-CB 3.38Å; R92-D96 PolarHBondContact O-N 3.24Å; K93-D96 PolarHBondContact O-N 3.47Å; L94-D96 PolarHBondContact O-N 3Å; D96-K100 WeakPolarHBondContact O-CG 3.32Å; D96-R344 IonicContact OD1-CZ 2.62Å; D96-R344 IonicContact OD1-NH2 2.76Å; D96-R344 PolarHBondContact OD1-NH2 3.46Å; D96-R344 IonicContact OD2-CZ 2.86Å; D96-R344 IonicContact OD2-NH2 3.43Å; D96-R344 PolarHBondContact OD2-NH2 3.29Å
97R92.3Very high90Very high58 Ų5854.8 Ų54.822%0.21926%0.258CS..Hα-helixtrans-81.5-39.7176.8-68.9-78.6172.9-176.1-3.6111.4W78 M81 K93 L94 I95 Y99 K100 G101W78-R97 HydrophobicContact CH2-CB 3.95Å; W78-R97 HydrophobicContact CZ2-CB 3.66Å; M81-R97 HydrophobicContact CE-CB 4.05Å; M81-R97 HydrophobicContact CE-CG 3.98Å; M81-R97 HydrophobicContact SD-CG 4.26Å; K93-R97 WeakPolarHBondContact O-CB 3.5Å; K93-R97 WeakPolarHBondContact O-CG 3.46Å; K93-R97 PolarHBondContact O-N 2.97Å; K93-R97 VanDerWaalsContact O-N 3.08Å; L94-R97 WeakPolarHBondContact O-CB 3.31Å; L94-R97 PolarHBondContact O-N 2.56Å; L94-R97 VanDerWaalsContact O-N 3.09Å; I95-R97 PolarHBondContact O-N 3.49Å; I95-R97 VanDerWaalsContact O-N 3.15Å; R97-Y99 VanDerWaalsContact C-N 3.31Å; R97-Y99 PolarHBondContact O-N 2.7Å; R97-K100 WeakPolarHBondContact O-CA 3.32Å; R97-K100 WeakPolarHBondContact O-CB 3.43Å; R97-K100 PolarHBondContact O-N 2.68Å; R97-G101 PolarHBondContact O-N 2.98Å; R97-G101 VanDerWaalsContact O-N 3.17Å
98A92.6Very high90.1Very high1 Ų148.6 Ų48.61%0.00823%0.233CC..Hα-helixtrans-54.9-47174.600000111.3L94 I95 K100 G101 V288 V291L94-A98 PolarHBondContact O-N 3.42Å; I95-A98 WeakPolarHBondContact O-CB 3.12Å; I95-A98 PolarHBondContact O-N 3.45Å; I95-A98 VanDerWaalsContact O-N 3.14Å; A98-K100 PolarHBondContact O-N 3.02Å; A98-G101 WeakPolarHBondContact O-CA 3.23Å; A98-G101 PolarHBondContact O-N 3.41Å; A98-V288 HydrophobicContact CB-CG2 4.49Å; A98-V291 HydrophobicContact CB-CB 4.17Å; A98-V291 HydrophobicContact CB-CG1 4.27Å; A98-V291 HydrophobicContact CB-CG2 3.95Å
99Y91.4Very high90.3Very high13 Ų1348.8 Ų48.85%0.05124%0.239CC..THydrogen-bonded Turntrans-63.1-25.2175.1-80.5-74.2000114.7I95 R97 G101 V288 E292 L343 R344 M347I95-Y99 HydrophobicContact CG2-CD2 4Å; I95-Y99 HydrophobicContact CG2-CE2 3.83Å; I95-Y99 WeakPolarHBondContact O-CD2 3.46Å; I95-Y99 PolarHBondContact O-N 2.92Å; R97-Y99 VanDerWaalsContact C-N 3.31Å; R97-Y99 PolarHBondContact O-N 2.7Å; Y99-G101 VanDerWaalsContact C-N 3.33Å; Y99-V288 HydrophobicContact CD1-CG2 4.06Å; Y99-V288 HydrophobicContact CE1-CG1 3.84Å; Y99-V288 HydrophobicContact CE1-CG2 4.08Å; Y99-V288 HydrophobicContact CE2-CG1 4.2Å; Y99-V288 HydrophobicContact CG-CG2 4.39Å; Y99-V288 WeakPolarHBondContact OH-CG1 3.22Å; Y99-E292 HydrophobicContact CE2-CG 4.46Å; Y99-E292 WeakPolarHBondContact CE2-OE1 3.35Å; Y99-L343 HydrophobicContact CE1-CB 4.25Å; Y99-L343 HydrophobicContact CE1-CD2 3.91Å; Y99-L343 HydrophobicContact CE1-CG 3.88Å; Y99-R344 HydrophobicContact CD1-CB 3.72Å; Y99-R344 HydrophobicContact CD1-CG 4.2Å; Y99-R344 HydrophobicContact CD2-CG 4.19Å; Y99-R344 HydrophobicContact CE1-CB 3.72Å; Y99-R344 HydrophobicContact CE1-CG 4.27Å; Y99-R344 HydrophobicContact CE2-CG 4.25Å; Y99-R344 HydrophobicContact CG-CB 4.18Å; Y99-R344 HydrophobicContact CG-CG 4.17Å; Y99-M347 WeakPolarHBondContact OH-CG 3.32Å
100K89.9Confident90.6Very high87 Ų8745.2 Ų45.238%0.37822%0.223SC..THydrogen-bonded Turntrans-75.8-26173.7-71.3171.6-177.4176.30111.2R74 D96 R97 A98 R284R74-K100 PolarHBondContact NH1-O 2.92Å; D96-K100 WeakPolarHBondContact O-CG 3.32Å; R97-K100 WeakPolarHBondContact O-CA 3.32Å; R97-K100 WeakPolarHBondContact O-CB 3.43Å; R97-K100 PolarHBondContact O-N 2.68Å; A98-K100 PolarHBondContact O-N 3.02Å; K100-R284 PolarHBondContact O-NH2 2.72Å
101G88.3Confident91.1Very high5 Ų539.8 Ų39.85%0.05219%0.186CC..  trans110133-178.600000111.8R97 A98 Y99R97-G101 PolarHBondContact O-N 2.98Å; R97-G101 VanDerWaalsContact O-N 3.17Å; A98-G101 WeakPolarHBondContact O-CA 3.23Å; A98-G101 PolarHBondContact O-N 3.41Å; Y99-G101 VanDerWaalsContact C-N 3.33Å
102M90.8Very high91.2Very high3 Ų340 Ų402%0.01519%0.187CC..  trans-84.8132.3175.6-162.8179.5-57.600110.2W78 I106 R107 M110 D287W78-M102 HydrophobicContact CD2-CG 4.34Å; W78-M102 HydrophobicContact CE3-CG 4.42Å; W78-M102 HydrophobicContact CH2-CB 4.41Å; W78-M102 HydrophobicContact CH2-CE 3.88Å; W78-M102 HydrophobicContact CH2-CG 4.25Å; W78-M102 HydrophobicContact CZ2-CB 4.09Å; W78-M102 HydrophobicContact CZ2-CG 4.12Å; W78-M102 HydrophobicContact CZ3-CE 3.9Å; W78-M102 HydrophobicContact CZ3-CG 4.39Å; M102-I106 HydrophobicContact CG-CB 4.09Å; M102-I106 HydrophobicContact CG-CG2 3.78Å; M102-I106 HydrophobicContact SD-CG2 4.02Å; M102-R107 HydrophobicContact CB-CG 4.42Å; M102-R107 HydrophobicContact CG-CG 4.2Å; M102-R107 PolarHBondContact O-NH2 3.38Å; M102-R107 VanDerWaalsContact O-NH2 3.1Å; M102-R107 VanDerWaalsContact SD-CA 3.59Å; M102-R107 HydrophobicContact SD-CB 4.28Å; M102-R107 HydrophobicContact SD-CG 3.74Å; M102-M110 HydrophobicContact CE-CB 3.98Å; M102-M110 HydrophobicContact CE-CG 3.36Å; M102-M110 HydrophobicContact SD-CB 3.59Å; M102-M110 VanDerWaalsContact SD-CB 3.59Å; M102-M110 HydrophobicContact SD-CG 3.69Å; M102-D287 HydrophobicContact CB-CB 4.45Å; M102-D287 WeakPolarHBondContact CB-OD2 3.48Å; M102-D287 HydrophobicContact CE-CB 4.24Å
103P89.9Confident91.4Very high3 Ų331 Ų312%0.01916%0.156CC..  trans-61146.6172.1-21.832.6000111.3E71 R74 W78 N105 I106 R107E71-P103 WeakPolarHBondContact O-CG 3.36Å; R74-P103 HydrophobicContact CB-CG 4.22Å; W78-P103 VanDerWaalsContact NE1-CD 3.29Å; P103-N105 VanDerWaalsContact C-N 3.31Å; P103-N105 WeakPolarHBondContact CB-OD1 3.48Å; P103-N105 PolarHBondContact O-N 3.36Å; P103-I106 HydrophobicContact CB-CB 4.39Å; P103-I106 HydrophobicContact CB-CG1 4.05Å; P103-I106 HydrophobicContact CG-CG1 4.17Å; P103-I106 PolarHBondContact O-N 3.05Å; P103-R107 PolarHBondContact O-N 3.29Å
104M84.4Confident91.3Very high51 Ų5125.1 Ų25.125%0.25113%0.13SC..G310 helixtrans-51.7-47.9-176.4-164.670.490.100113.4L49 I106 R107 Y200L49-M104 HydrophobicContact CD2-CE 3.33Å; M104-I106 PolarHBondContact O-N 3.4Å; M104-R107 PolarHBondContact O-N 2.99Å; M104-R107 PolarHBondContact SD-NH1 3.22Å; M104-Y200 HydrophobicContact CG-CE1 3.86Å; M104-Y200 HydrophobicContact SD-CE1 3.3Å; M104-Y200 WeakPolarHBondContact SD-CE1 3.33Å; M104-Y200 VanDerWaalsContact SD-CZ 3.51Å; M104-Y200 PolarHBondContact SD-OH 2.98Å
105N84.5Confident91.3Very high69 Ų6925 Ų2537%0.36913%0.13SC..G310 helixtrans-74.8-6.8-177.660.2-11.9000114.7K75 P103K75-N105 WeakPolarHBondContact CE-ND2 3.14Å; P103-N105 VanDerWaalsContact C-N 3.31Å; P103-N105 WeakPolarHBondContact CB-OD1 3.48Å; P103-N105 PolarHBondContact O-N 3.36Å
106I91.5Very high91.3Very high7 Ų726.1 Ų26.14%0.03614%0.136CC..G310 helixtrans-95.4-20.2177.2-65.6-58.8000111.3K75 W78 V79 M102 P103 M104 G108 P109 M110K75-I106 HydrophobicContact CG-CD1 4.03Å; K75-I106 HydrophobicContact CG-CG1 4.28Å; W78-I106 HydrophobicContact CB-CB 4.43Å; W78-I106 HydrophobicContact CB-CD1 4.28Å; W78-I106 HydrophobicContact CB-CG1 4Å; W78-I106 HydrophobicContact CB-CG2 3.67Å; W78-I106 HydrophobicContact CD2-CG2 4.14Å; W78-I106 HydrophobicContact CE3-CG2 4.14Å; W78-I106 HydrophobicContact CG-CG2 3.97Å; V79-I106 HydrophobicContact CG2-CD1 3.93Å; M102-I106 HydrophobicContact CG-CB 4.09Å; M102-I106 HydrophobicContact CG-CG2 3.78Å; M102-I106 HydrophobicContact SD-CG2 4.02Å; P103-I106 HydrophobicContact CB-CB 4.39Å; P103-I106 HydrophobicContact CB-CG1 4.05Å; P103-I106 HydrophobicContact CG-CG1 4.17Å; P103-I106 PolarHBondContact O-N 3.05Å; M104-I106 PolarHBondContact O-N 3.4Å; I106-G108 PolarHBondContact O-N 3.45Å; I106-P109 WeakPolarHBondContact O-CD 3.29Å; I106-M110 HydrophobicContact CG2-CB 4.02Å; I106-M110 WeakPolarHBondContact O-CB 3.23Å; I106-M110 PolarHBondContact O-N 3.2Å
107R92.4Very high91.2Very high14 Ų1423.4 Ų23.45%0.05312%0.122CC..Hα-helixtrans-56.4-50.9-175.3-75-174.6175.3105.410.2113.4M102 P103 M104 M110 W111 Y200 D287M102-R107 HydrophobicContact CB-CG 4.42Å; M102-R107 HydrophobicContact CG-CG 4.2Å; M102-R107 PolarHBondContact O-NH2 3.38Å; M102-R107 VanDerWaalsContact O-NH2 3.1Å; M102-R107 VanDerWaalsContact SD-CA 3.59Å; M102-R107 HydrophobicContact SD-CB 4.28Å; M102-R107 HydrophobicContact SD-CG 3.74Å; P103-R107 PolarHBondContact O-N 3.29Å; M104-R107 PolarHBondContact O-N 2.99Å; M104-R107 PolarHBondContact SD-NH1 3.22Å; R107-M110 PolarHBondContact O-N 3.36Å; R107-W111 HydrophobicContact CB-CD2 4.24Å; R107-W111 HydrophobicContact CB-CZ2 4.19Å; R107-W111 HydrophobicContact CG-CZ2 4.07Å; R107-W111 WeakPolarHBondContact O-CB 3.37Å; R107-W111 PolarHBondContact O-N 3.14Å; R107-Y200 HydrophobicContact CB-CD1 3.8Å; R107-Y200 HydrophobicContact CB-CE1 4.38Å; R107-Y200 HydrophobicContact CB-CG 3.89Å; R107-D287 IonicContact CZ-OD2 3.33Å; R107-D287 IonicContact NE-OD1 3.24Å; R107-D287 PolarHBondContact NE-OD1 3.1Å; R107-D287 IonicContact NE-OD2 4Å; R107-D287 PolarHBondContact NE-OD2 3.13Å; R107-D287 IonicContact NH2-OD2 3.16Å; R107-D287 PolarHBondContact NH2-OD2 3.34Å
108G93.6Very high91.1Very high8 Ų824 Ų248%0.08213%0.127CC..Hα-helixtrans-53.4-60.8179.800000112.6I106 M110 W111 S112 Y200 L201I106-G108 PolarHBondContact O-N 3.45Å; G108-M110 VanDerWaalsContact C-N 3.34Å; G108-M110 PolarHBondContact O-N 2.93Å; G108-W111 PolarHBondContact O-N 2.93Å; G108-S112 WeakPolarHBondContact O-CB 3.29Å; G108-S112 PolarHBondContact O-N 2.95Å; G108-S112 PolarHBondContact O-OG 3.27Å; G108-Y200 VanDerWaalsContact CA-O 3.3Å; G108-Y200 WeakPolarHBondContact CA-O 3.4Å; G108-L201 WeakPolarHBondContact O-CD2 3.24Å
109P92.9Very high91Very high40 Ų4027.9 Ų27.926%0.2615%0.145SC..Hα-helixtrans-58.4-42.2177.7-26.734.5000113.7L82 I106 S112 V113L82-P109 HydrophobicContact CD1-CB 3.98Å; I106-P109 WeakPolarHBondContact O-CD 3.29Å; P109-S112 WeakPolarHBondContact O-CB 3.46Å; P109-S112 PolarHBondContact O-N 2.57Å; P109-V113 PolarHBondContact O-N 3.31Å
110M93.6Very high91Very high0 Ų028.7 Ų28.70%015%0.15CC..Hα-helixtrans-71-42-176.9-175.852.67200112.7W78 L82 W85 L94 M102 I106 R107 G108 S112 V113 L114W78-M110 HydrophobicContact CE3-CE 3.55Å; W78-M110 HydrophobicContact CE3-CG 4.4Å; W78-M110 HydrophobicContact CZ3-CE 3.78Å; W78-M110 HydrophobicContact CZ3-CG 4.08Å; W78-M110 HydrophobicContact CZ3-SD 4.32Å; L82-M110 HydrophobicContact CD1-CE 4.44Å; L82-M110 HydrophobicContact CD2-CE 3.52Å; L82-M110 HydrophobicContact CD2-SD 4.14Å; L82-M110 HydrophobicContact CG-CE 3.68Å; W85-M110 HydrophobicContact CH2-SD 4.22Å; W85-M110 HydrophobicContact CZ3-CE 4.3Å; W85-M110 HydrophobicContact CZ3-SD 3.83Å; L94-M110 HydrophobicContact CD1-CE 4.41Å; L94-M110 HydrophobicContact CD1-SD 4.35Å; M102-M110 HydrophobicContact CE-CB 3.98Å; M102-M110 HydrophobicContact CE-CG 3.36Å; M102-M110 HydrophobicContact SD-CB 3.59Å; M102-M110 VanDerWaalsContact SD-CB 3.59Å; M102-M110 HydrophobicContact SD-CG 3.69Å; I106-M110 HydrophobicContact CG2-CB 4.02Å; I106-M110 WeakPolarHBondContact O-CB 3.23Å; I106-M110 PolarHBondContact O-N 3.2Å; R107-M110 PolarHBondContact O-N 3.36Å; G108-M110 VanDerWaalsContact C-N 3.34Å; G108-M110 PolarHBondContact O-N 2.93Å; M110-S112 VanDerWaalsContact C-N 3.25Å; M110-S112 PolarHBondContact O-N 3Å; M110-V113 WeakPolarHBondContact O-CG2 3.37Å; M110-V113 PolarHBondContact O-N 3.48Å; M110-V113 HydrophobicContact SD-CG2 3.82Å; M110-L114 HydrophobicContact CG-CD1 3.85Å; M110-L114 HydrophobicContact CG-CG 4.39Å; M110-L114 WeakPolarHBondContact O-CB 3.4Å; M110-L114 WeakPolarHBondContact O-CD1 3.33Å; M110-L114 WeakPolarHBondContact O-CG 3.26Å; M110-L114 PolarHBondContact O-N 3.33Å; M110-L114 HydrophobicContact SD-CD1 4.18Å; M110-L114 HydrophobicContact SD-CG 4.14Å
111W94.6Very high91.1Very high0 Ų027.3 Ų27.30%014%0.144CC..Hα-helixtrans-64.5-35.1174.8-65.6-0.6000111R107 G108 V113 L114 L115 F197 Y200 L283 W286 D287 L290R107-W111 HydrophobicContact CB-CD2 4.24Å; R107-W111 HydrophobicContact CB-CZ2 4.19Å; R107-W111 HydrophobicContact CG-CZ2 4.07Å; R107-W111 WeakPolarHBondContact O-CB 3.37Å; R107-W111 PolarHBondContact O-N 3.14Å; G108-W111 PolarHBondContact O-N 2.93Å; W111-V113 PolarHBondContact O-N 2.8Å; W111-L114 PolarHBondContact O-N 3.2Å; W111-L115 WeakPolarHBondContact O-CB 3.44Å; W111-L115 PolarHBondContact O-N 3.02Å; W111-F197 AromaticContact CE3-CD1 3.76Å; W111-F197 HydrophobicContact CE3-CD1 3.76Å; W111-F197 HydrophobicContact CE3-CE1 4.16Å; W111-F197 AromaticContact CZ3-CD1 3.96Å; W111-F197 HydrophobicContact CZ3-CD1 3.96Å; W111-Y200 HydrophobicContact CE3-CD2 4.31Å; W111-Y200 AromaticContact CH2-CD2 3.46Å; W111-Y200 HydrophobicContact CH2-CD2 3.46Å; W111-Y200 VanDerWaalsContact CH2-CD2 3.46Å; W111-Y200 AromaticContact CH2-CE2 3.9Å; W111-Y200 HydrophobicContact CH2-CE2 3.9Å; W111-Y200 HydrophobicContact CH2-CG 4.29Å; W111-Y200 HydrophobicContact CZ2-CD2 4.39Å; W111-Y200 AromaticContact CZ3-CD2 3.41Å; W111-Y200 HydrophobicContact CZ3-CD2 3.41Å; W111-Y200 VanDerWaalsContact CZ3-CD2 3.41Å; W111-Y200 HydrophobicContact CZ3-CE2 4.28Å; W111-Y200 HydrophobicContact CZ3-CG 4.05Å; W111-L283 HydrophobicContact CH2-CD2 3.96Å; W111-L283 HydrophobicContact CZ2-CD2 4.39Å; W111-W286 AromaticContact CH2-CD1 3.75Å; W111-W286 AromaticContact CZ2-CD1 3.58Å; W111-D287 PolarHBondContact NE1-OD1 3.3Å; W111-L290 HydrophobicContact CB-CD1 4.28Å; W111-L290 VanDerWaalsContact CD1-CD1 3.48Å; W111-L290 HydrophobicContact CD2-CD1 3.9Å; W111-L290 HydrophobicContact CG-CD1 3.64Å
112S93.3Very high91.4Very high26 Ų2632.8 Ų32.818%0.18217%0.171CC..Hα-helixtrans-60.5-44.8176.2-570000112.8G108 P109 M110 N116 I117 L201G108-S112 WeakPolarHBondContact O-CB 3.29Å; G108-S112 PolarHBondContact O-N 2.95Å; G108-S112 PolarHBondContact O-OG 3.27Å; P109-S112 WeakPolarHBondContact O-CB 3.46Å; P109-S112 PolarHBondContact O-N 2.57Å; M110-S112 VanDerWaalsContact C-N 3.25Å; M110-S112 PolarHBondContact O-N 3Å; S112-N116 PolarHBondContact O-N 3.11Å; S112-I117 PolarHBondContact O-N 3.5Å; S112-L201 VanDerWaalsContact OG-CD2 3.29Å; S112-L201 WeakPolarHBondContact OG-CD2 3.45Å
113V92.9Very high91.5Very high23 Ų2338.9 Ų38.914%0.13920%0.197CC..Hα-helixtrans-75.8-32.6177.3-59.30000112.8L82 W85 P109 M110 W111 N116 W447L82-V113 HydrophobicContact CD2-CG1 4.32Å; L82-V113 HydrophobicContact CD2-CG2 3.77Å; W85-V113 HydrophobicContact CD2-CB 4.18Å; W85-V113 HydrophobicContact CD2-CG2 3.93Å; W85-V113 HydrophobicContact CE3-CG2 4.07Å; W85-V113 HydrophobicContact CG-CB 4.39Å; W85-V113 HydrophobicContact CH2-CG2 4.12Å; W85-V113 HydrophobicContact CZ2-CB 4.31Å; W85-V113 HydrophobicContact CZ2-CG2 3.97Å; W85-V113 HydrophobicContact CZ3-CG2 4.17Å; P109-V113 PolarHBondContact O-N 3.31Å; M110-V113 WeakPolarHBondContact O-CG2 3.37Å; M110-V113 PolarHBondContact O-N 3.48Å; M110-V113 HydrophobicContact SD-CG2 3.82Å; W111-V113 PolarHBondContact O-N 2.8Å; V113-N116 PolarHBondContact O-N 2.71Å; V113-W447 HydrophobicContact CG1-CZ2 4.32Å
114L92.1Very high91.7Very high11 Ų1140.8 Ų40.86%0.05821%0.207CC..Hα-helixtrans-66.8-38.6177-76.9168.3000112.3W85 L94 M110 W111 L290 V291W85-L114 HydrophobicContact CH2-CD2 3.62Å; W85-L114 HydrophobicContact CH2-CG 4.15Å; W85-L114 HydrophobicContact CZ2-CD2 4.13Å; L94-L114 HydrophobicContact CD2-CD2 4.42Å; M110-L114 HydrophobicContact CG-CD1 3.85Å; M110-L114 HydrophobicContact CG-CG 4.39Å; M110-L114 WeakPolarHBondContact O-CB 3.4Å; M110-L114 WeakPolarHBondContact O-CD1 3.33Å; M110-L114 WeakPolarHBondContact O-CG 3.26Å; M110-L114 PolarHBondContact O-N 3.33Å; M110-L114 HydrophobicContact SD-CD1 4.18Å; M110-L114 HydrophobicContact SD-CG 4.14Å; W111-L114 PolarHBondContact O-N 3.2Å; L114-L290 HydrophobicContact CD1-CB 4.03Å; L114-V291 HydrophobicContact CD1-CG2 3.84Å; L114-V291 HydrophobicContact CD2-CG2 4.03Å
115L91.8Very high92.2Very high1 Ų143.5 Ų43.51%0.00523%0.229CC..THydrogen-bonded Turntrans-96.78.9178.7-64.9171.1000112.7W111 I117 F197 A209 Q212 L290W111-L115 WeakPolarHBondContact O-CB 3.44Å; W111-L115 PolarHBondContact O-N 3.02Å; L115-I117 HydrophobicContact CB-CD1 4.45Å; L115-I117 HydrophobicContact CB-CG1 3.96Å; L115-I117 PolarHBondContact O-N 2.72Å; L115-F197 HydrophobicContact CD1-CE1 3.56Å; L115-F197 HydrophobicContact CD1-CZ 3.66Å; L115-A209 HydrophobicContact CD1-CB 3.68Å; L115-Q212 HydrophobicContact CB-CB 4.36Å; L115-Q212 HydrophobicContact CB-CG 4.38Å; L115-Q212 HydrophobicContact CD2-CB 4.47Å; L115-Q212 HydrophobicContact CD2-CG 4.37Å; L115-Q212 VanDerWaalsContact O-CG 3.23Å; L115-Q212 WeakPolarHBondContact O-CG 3.37Å; L115-L290 HydrophobicContact CD1-CD2 4.09Å; L115-L290 HydrophobicContact CD2-CD2 3.86Å; L115-L290 HydrophobicContact CG-CD2 4.13Å
116N91.4Very high92.7Very high69 Ų6942.3 Ų42.337%0.36923%0.233SC..THydrogen-bonded Turntrans49.339.1174.4-156.524.3000114.2S112 V113 E118 E119 M120S112-N116 PolarHBondContact O-N 3.11Å; V113-N116 PolarHBondContact O-N 2.71Å; N116-E118 VanDerWaalsContact C-N 3.31Å; N116-E118 PolarHBondContact O-N 2.91Å; N116-E119 VanDerWaalsContact ND2-CD 3.32Å; N116-E119 PolarHBondContact ND2-OE2 3.47Å; N116-E119 PolarHBondContact O-N 2.79Å; N116-E119 WeakPolarHBondContact OD1-CB 3.17Å; N116-E119 PolarHBondContact OD1-OE2 3.32Å; N116-M120 PolarHBondContact O-N 2.61Å
117I91.8Very high92.8Very high3 Ų347 Ų472%0.01525%0.25CS..Hα-helixtrans-61.5-41.6-170.4-64.3179.5000111S112 L115 E119 M120 K121 L201 D205 W208 A209S112-I117 PolarHBondContact O-N 3.5Å; L115-I117 HydrophobicContact CB-CD1 4.45Å; L115-I117 HydrophobicContact CB-CG1 3.96Å; L115-I117 PolarHBondContact O-N 2.72Å; I117-E119 PolarHBondContact O-N 2.97Å; I117-M120 WeakPolarHBondContact O-CB 3.41Å; I117-M120 PolarHBondContact O-N 3.11Å; I117-M120 VanDerWaalsContact O-N 3.17Å; I117-K121 HydrophobicContact CG2-CD 4.06Å; I117-K121 HydrophobicContact CG2-CG 4.36Å; I117-K121 WeakPolarHBondContact O-CG 3.46Å; I117-K121 PolarHBondContact O-N 3.13Å; I117-L201 HydrophobicContact CD1-CD1 3.83Å; I117-L201 HydrophobicContact CD1-CD2 4.48Å; I117-D205 HydrophobicContact CD1-CB 4.4Å; I117-D205 HydrophobicContact CG2-CB 3.98Å; I117-W208 HydrophobicContact CG2-CB 3.88Å; I117-A209 HydrophobicContact CD1-CB 3.77Å; I117-A209 HydrophobicContact CG1-CB 4.46Å
118E90Very high93Very high70 Ų7046.8 Ų46.833%0.32725%0.249SC..Hα-helixtrans-61.4-42.9-178.6-170.4179.4-176.800111.8N116 M120 K121 L122 W447 R481N116-E118 VanDerWaalsContact C-N 3.31Å; N116-E118 PolarHBondContact O-N 2.91Å; E118-M120 VanDerWaalsContact C-N 3.31Å; E118-M120 PolarHBondContact O-N 3.24Å; E118-K121 PolarHBondContact O-N 3.43Å; E118-L122 HydrophobicContact CG-CD1 4.27Å; E118-L122 VanDerWaalsContact O-CG 3.31Å; E118-L122 WeakPolarHBondContact O-CG 3.28Å; E118-L122 PolarHBondContact O-N 3.35Å; E118-W447 WeakPolarHBondContact OE2-CH2 3.36Å; E118-R481 WeakPolarHBondContact OE1-CB 3.48Å
119E90.1Very high93.2Very high83 Ų8350.8 Ų50.839%0.38827%0.266SS..Hα-helixtrans-63.8-39.2176.4-172.3177.8154.500111.4N116 I117 L122 K123N116-E119 VanDerWaalsContact ND2-CD 3.32Å; N116-E119 PolarHBondContact ND2-OE2 3.47Å; N116-E119 PolarHBondContact O-N 2.79Å; N116-E119 WeakPolarHBondContact OD1-CB 3.17Å; N116-E119 PolarHBondContact OD1-OE2 3.32Å; I117-E119 PolarHBondContact O-N 2.97Å; E119-L122 PolarHBondContact O-N 3.4Å; E119-K123 HydrophobicContact CG-CD 4.3Å; E119-K123 WeakPolarHBondContact O-CB 3.37Å; E119-K123 WeakPolarHBondContact O-CG 3.27Å; E119-K123 PolarHBondContact O-N 2.94Å; E119-K123 WeakPolarHBondContact OE1-CE 3.47Å; E119-K123 IonicContact OE1-NZ 2.62Å; E119-K123 PolarHBondContact OE1-NZ 3.39Å
120M90.8Very high93.4Very high29 Ų2953.7 Ų53.714%0.14328%0.278CS..Hα-helixtrans-64.3-41.4176.4-71.4-58.2-65.700112.3N116 I117 E118 K123 N124 W208 Q212N116-M120 PolarHBondContact O-N 2.61Å; I117-M120 WeakPolarHBondContact O-CB 3.41Å; I117-M120 PolarHBondContact O-N 3.11Å; I117-M120 VanDerWaalsContact O-N 3.17Å; E118-M120 VanDerWaalsContact C-N 3.31Å; E118-M120 PolarHBondContact O-N 3.24Å; M120-K123 PolarHBondContact O-N 3.32Å; M120-N124 WeakPolarHBondContact O-CB 3.26Å; M120-N124 PolarHBondContact O-N 3.21Å; M120-N124 VanDerWaalsContact O-N 3.12Å; M120-N124 PolarHBondContact O-ND2 2.99Å; M120-W208 HydrophobicContact CB-CD2 4.17Å; M120-W208 HydrophobicContact CB-CE3 3.93Å; M120-W208 HydrophobicContact CB-CG 4.46Å; M120-W208 HydrophobicContact CE-CE3 4Å; M120-W208 HydrophobicContact CE-CZ3 3.83Å; M120-Q212 VanDerWaalsContact CG-OE1 3.3Å; M120-Q212 PolarHBondContact SD-OE1 3.39Å
121K93Very high93.5Very high59 Ų5953.9 Ų53.926%0.25728%0.279SS..Hα-helixtrans-64-45.2175.5-71.6-178.369.8158.60112.2I117 E118 K123 N124 E204 D205 W208I117-K121 HydrophobicContact CG2-CD 4.06Å; I117-K121 HydrophobicContact CG2-CG 4.36Å; I117-K121 WeakPolarHBondContact O-CG 3.46Å; I117-K121 PolarHBondContact O-N 3.13Å; E118-K121 PolarHBondContact O-N 3.43Å; K121-K123 VanDerWaalsContact C-N 3.28Å; K121-K123 PolarHBondContact O-N 3.1Å; K121-N124 CarbonylContact O-C 3.59Å; K121-N124 VanDerWaalsContact O-C 3.25Å; K121-N124 PolarHBondContact O-N 3.49Å; K121-N124 VanDerWaalsContact O-N 3.08Å; K121-E204 VanDerWaalsContact CE-CD 3.45Å; K121-E204 WeakPolarHBondContact CE-OE2 3.41Å; K121-E204 IonicContact NZ-OE2 2.83Å; K121-E204 PolarHBondContact NZ-OE2 3.44Å; K121-D205 VanDerWaalsContact CD-OD1 3.26Å; K121-D205 WeakPolarHBondContact CD-OD1 3.3Å; K121-D205 IonicContact NZ-OD1 2.77Å; K121-D205 PolarHBondContact NZ-OD1 3.47Å; K121-W208 HydrophobicContact CG-CG 4.1Å
122L93.3Very high93.6Very high120 Ų12055 Ų5563%0.62828%0.284SS*.Hα-helixtrans-61.7-37.4178.1-72.9170.3000112.1E118 E119 N124E118-L122 HydrophobicContact CG-CD1 4.27Å; E118-L122 VanDerWaalsContact O-CG 3.31Å; E118-L122 WeakPolarHBondContact O-CG 3.28Å; E118-L122 PolarHBondContact O-N 3.35Å; E119-L122 PolarHBondContact O-N 3.4Å; L122-N124 VanDerWaalsContact C-N 3.3Å
123K93.7Very high93.7Very high130 Ų13056.7 Ų56.757%0.56529%0.289SS*.Hα-helixtrans-73.6-20.9175.7-72.6176.7-176.7174.30113.7E119 M120 K121 P125E119-K123 HydrophobicContact CG-CD 4.3Å; E119-K123 WeakPolarHBondContact O-CB 3.37Å; E119-K123 WeakPolarHBondContact O-CG 3.27Å; E119-K123 PolarHBondContact O-N 2.94Å; E119-K123 WeakPolarHBondContact OE1-CE 3.47Å; E119-K123 IonicContact OE1-NZ 2.62Å; E119-K123 PolarHBondContact OE1-NZ 3.39Å; M120-K123 PolarHBondContact O-N 3.32Å; K121-K123 VanDerWaalsContact C-N 3.28Å; K121-K123 PolarHBondContact O-N 3.1Å; K123-P125 VanDerWaalsContact C-CD 3.49Å
124N94Very high93.8Very high43 Ų4360.4 Ų60.423%0.2330%0.303CS..SBendtrans-133.557.1-171.3-61.3-84.9000112.3M120 K121 L122 G126 R127 W208M120-N124 WeakPolarHBondContact O-CB 3.26Å; M120-N124 PolarHBondContact O-N 3.21Å; M120-N124 VanDerWaalsContact O-N 3.12Å; M120-N124 PolarHBondContact O-ND2 2.99Å; K121-N124 CarbonylContact O-C 3.59Å; K121-N124 VanDerWaalsContact O-C 3.25Å; K121-N124 PolarHBondContact O-N 3.49Å; K121-N124 VanDerWaalsContact O-N 3.08Å; L122-N124 VanDerWaalsContact C-N 3.3Å; N124-G126 PolarHBondContact O-N 3.05Å; N124-R127 HydrophobicContact CB-CB 3.79Å; N124-R127 HydrophobicContact CB-CG 4.36Å; N124-R127 WeakPolarHBondContact O-CB 3.41Å; N124-R127 PolarHBondContact O-N 2.84Å; N124-W208 HydrophobicContact CB-CH2 3.34Å; N124-W208 HydrophobicContact CB-CZ2 3.51Å; N124-W208 HydrophobicContact CB-CZ3 4.37Å
125P94.8Very high93.9Very high109 Ų10960 Ų6071%0.70830%0.301SS*.THydrogen-bonded Turntrans-61.3130-177.227.1-34.8000110.9K123 R127K123-P125 VanDerWaalsContact C-CD 3.49Å; P125-R127 PolarHBondContact O-N 3.48Å
126G94.4Very high94Very high43 Ų4361.2 Ų61.244%0.44331%0.307SS..THydrogen-bonded Turntrans69.7-3178.400000115.5N124 Y128 Q129 I130N124-G126 PolarHBondContact O-N 3.05Å; G126-Y128 VanDerWaalsContact C-N 3.35Å; G126-Y128 PolarHBondContact O-N 3.03Å; G126-Q129 PolarHBondContact O-N 3.4Å; G126-I130 PolarHBondContact O-N 3.29Å
127R95.3Very high94Very high107 Ų10766.8 Ų66.840%0.40432%0.323SS..Hα-helixtrans-59.6-45.1-176.2-174.765.4174.5-176.32111.5N124 P125 Q129 I130 M131 W208N124-R127 HydrophobicContact CB-CB 3.79Å; N124-R127 HydrophobicContact CB-CG 4.36Å; N124-R127 WeakPolarHBondContact O-CB 3.41Å; N124-R127 PolarHBondContact O-N 2.84Å; P125-R127 PolarHBondContact O-N 3.48Å; R127-Q129 VanDerWaalsContact C-N 3.32Å; R127-Q129 PolarHBondContact O-N 3.38Å; R127-I130 PolarHBondContact O-N 2.94Å; R127-M131 HydrophobicContact CG-CG 4.27Å; R127-M131 VanDerWaalsContact O-CG 3.29Å; R127-M131 WeakPolarHBondContact O-CG 3.38Å; R127-M131 PolarHBondContact O-N 2.91Å; R127-W208 HydrophobicContact CB-CH2 4.28Å; R127-W208 HydrophobicContact CB-CZ2 4.13Å; R127-W208 HydrophobicContact CG-CH2 4.26Å
128Y96.4Very high93.9Very high8 Ų869.1 Ų69.13%0.03134%0.339CS..Hα-helixtrans-54.1-47.7179.1172.1-112.2000112.4G126 I130 M131 K132 H172 A176 E203 E204 F207G126-Y128 VanDerWaalsContact C-N 3.35Å; G126-Y128 PolarHBondContact O-N 3.03Å; Y128-I130 VanDerWaalsContact C-N 3.32Å; Y128-I130 PolarHBondContact O-N 3.48Å; Y128-M131 PolarHBondContact O-N 3.33Å; Y128-K132 HydrophobicContact CE1-CD 4.15Å; Y128-K132 WeakPolarHBondContact O-CB 3.47Å; Y128-K132 PolarHBondContact O-N 3.46Å; Y128-H172 WeakPolarHBondContact OH-CB 3.46Å; Y128-A176 HydrophobicContact CD2-CB 3.96Å; Y128-A176 HydrophobicContact CE2-CB 3.65Å; Y128-E203 HydrophobicContact CE1-CG 4.28Å; Y128-E203 VanDerWaalsContact CE1-OE1 3.28Å; Y128-E203 WeakPolarHBondContact CE1-OE1 3.34Å; Y128-E203 VanDerWaalsContact CZ-OE1 3.3Å; Y128-E203 VanDerWaalsContact OH-CG 3.25Å; Y128-E203 WeakPolarHBondContact OH-CG 3.48Å; Y128-E203 PolarHBondContact OH-OE1 2.75Å; Y128-E204 HydrophobicContact CD1-CB 3.81Å; Y128-E204 HydrophobicContact CD1-CG 3.79Å; Y128-E204 HydrophobicContact CE1-CB 4.21Å; Y128-E204 HydrophobicContact CG-CB 4.32Å; Y128-E204 HydrophobicContact CG-CG 3.9Å; Y128-F207 HydrophobicContact CD2-CB 3.7Å; Y128-F207 AromaticContact CD2-CD1 3.46Å; Y128-F207 HydrophobicContact CD2-CD1 3.46Å; Y128-F207 VanDerWaalsContact CD2-CD1 3.46Å; Y128-F207 AromaticContact CD2-CD2 3.8Å; Y128-F207 HydrophobicContact CD2-CD2 3.8Å; Y128-F207 AromaticContact CD2-CE1 3.98Å; Y128-F207 HydrophobicContact CD2-CE1 3.98Å; Y128-F207 HydrophobicContact CD2-CE2 4.27Å; Y128-F207 AromaticContact CD2-CG 3.35Å; Y128-F207 HydrophobicContact CD2-CG 3.35Å; Y128-F207 HydrophobicContact CD2-CZ 4.36Å; Y128-F207 HydrophobicContact CE2-CB 3.67Å; Y128-F207 HydrophobicContact CE2-CD1 4.27Å; Y128-F207 AromaticContact CE2-CD2 3.94Å; Y128-F207 HydrophobicContact CE2-CD2 3.94Å; Y128-F207 AromaticContact CE2-CG 3.7Å; Y128-F207 HydrophobicContact CE2-CG 3.7Å; Y128-F207 HydrophobicContact CG-CD1 4.14Å; Y128-F207 HydrophobicContact CG-CG 4.38Å
129Q97.1Very high93.9Very high92 Ų9266 Ų6643%0.4333%0.325SS..Hα-helixtrans-63.7-39.2-178.7-171.85835.900111.7G126 R127 E133G126-Q129 PolarHBondContact O-N 3.4Å; R127-Q129 VanDerWaalsContact C-N 3.32Å; R127-Q129 PolarHBondContact O-N 3.38Å; Q129-E133 PolarHBondContact NE2-OE1 3.36Å; Q129-E133 VanDerWaalsContact NE2-OE1 3.13Å; Q129-E133 WeakPolarHBondContact O-CG 3.49Å; Q129-E133 PolarHBondContact O-N 3.04Å; Q129-E133 VanDerWaalsContact O-N 3.08Å
130I96.8Very high93.8Very high101 Ų10170.2 Ų70.252%0.51835%0.345SS..Hα-helixtrans-62.4-47.4175.4-63.3167.4000110.6G126 R127 Y128 K132 E133 K134G126-I130 PolarHBondContact O-N 3.29Å; R127-I130 PolarHBondContact O-N 2.94Å; Y128-I130 VanDerWaalsContact C-N 3.32Å; Y128-I130 PolarHBondContact O-N 3.48Å; I130-K132 PolarHBondContact O-N 3.06Å; I130-E133 PolarHBondContact O-N 3.15Å; I130-K134 WeakPolarHBondContact O-CB 3.5Å; I130-K134 PolarHBondContact O-N 2.81Å
131M96Very high93.7Very high5 Ų572 Ų723%0.02535%0.353CS..Hα-helixtrans-66.9-38.3-178.5-57-47.2-94.200112.1R127 Y128 K134 G135 A176 E179 Y180R127-M131 HydrophobicContact CG-CG 4.27Å; R127-M131 VanDerWaalsContact O-CG 3.29Å; R127-M131 WeakPolarHBondContact O-CG 3.38Å; R127-M131 PolarHBondContact O-N 2.91Å; Y128-M131 PolarHBondContact O-N 3.33Å; M131-K134 PolarHBondContact O-N 3.39Å; M131-G135 PolarHBondContact O-N 3.41Å; M131-A176 HydrophobicContact CB-CB 4.02Å; M131-E179 HydrophobicContact CB-CB 4.46Å; M131-E179 HydrophobicContact CB-CG 4.46Å; M131-E179 HydrophobicContact CE-CB 4.01Å; M131-E179 HydrophobicContact CE-CG 3.55Å; M131-E179 WeakPolarHBondContact CE-O 3.26Å; M131-E179 HydrophobicContact SD-CG 4.02Å; M131-Y180 HydrophobicContact CE-CD2 4.39Å; M131-Y180 VanDerWaalsContact CE-N 3.34Å
132K95.8Very high93.6Very high22 Ų2269.5 Ų69.510%0.09634%0.342CS..Hα-helixtrans-59.5-50.6174.6172.7179.9172171.10111.8Y128 I130 K134 G135 K136 H172 A176 E203Y128-K132 HydrophobicContact CE1-CD 4.15Å; Y128-K132 WeakPolarHBondContact O-CB 3.47Å; Y128-K132 PolarHBondContact O-N 3.46Å; I130-K132 PolarHBondContact O-N 3.06Å; K132-K134 VanDerWaalsContact C-N 3.33Å; K132-G135 PolarHBondContact O-N 3.44Å; K132-K136 WeakPolarHBondContact O-CG 3.45Å; K132-K136 PolarHBondContact O-N 2.96Å; K132-H172 HydrophobicContact CD-CB 4.02Å; K132-H172 VanDerWaalsContact CE-CG 3.42Å; K132-H172 WeakPolarHBondContact CE-ND1 3.33Å; K132-H172 HydrophobicContact CG-CB 4.21Å; K132-H172 PolarHBondContact NZ-ND1 3.36Å; K132-A176 HydrophobicContact CB-CB 4.21Å; K132-E203 IonicContact NZ-OE1 3.84Å; K132-E203 PolarHBondContact NZ-OE1 3.22Å; K132-E203 IonicContact NZ-OE2 3.81Å
133E96.3Very high93.5Very high62 Ų6266.2 Ų66.229%0.2932%0.323SS..Hα-helixtrans-67.9-35.3-179.7-67.5-52.213400112.2Q129 I130 K136 R137Q129-E133 PolarHBondContact NE2-OE1 3.36Å; Q129-E133 VanDerWaalsContact NE2-OE1 3.13Å; Q129-E133 WeakPolarHBondContact O-CG 3.49Å; Q129-E133 PolarHBondContact O-N 3.04Å; Q129-E133 VanDerWaalsContact O-N 3.08Å; I130-E133 PolarHBondContact O-N 3.15Å; E133-K136 IonicContact OE1-NZ 3.85Å; E133-R137 WeakPolarHBondContact O-CG 3.47Å; E133-R137 PolarHBondContact O-N 2.98Å
134K94.5Very high93.3Very high102 Ų10265.5 Ų65.544%0.44332%0.317SS..Hα-helixtrans-66.9-48.2173.7-174.5170.8175.4-1620111.4I130 M131 K132 K136 R137 S138 E179I130-K134 WeakPolarHBondContact O-CB 3.5Å; I130-K134 PolarHBondContact O-N 2.81Å; M131-K134 PolarHBondContact O-N 3.39Å; K132-K134 VanDerWaalsContact C-N 3.33Å; K134-K136 VanDerWaalsContact C-N 3.29Å; K134-K136 PolarHBondContact O-N 3.2Å; K134-R137 WeakPolarHBondContact O-CA 3.4Å; K134-R137 PolarHBondContact O-N 3.49Å; K134-S138 PolarHBondContact O-N 3.23Å; K134-S138 PolarHBondContact O-OG 3.15Å; K134-E179 HydrophobicContact CB-CG 4.01Å; K134-E179 HydrophobicContact CD-CG 3.73Å; K134-E179 VanDerWaalsContact CD-OE1 3.26Å; K134-E179 WeakPolarHBondContact CD-OE1 3.4Å; K134-E179 WeakPolarHBondContact CE-OE1 3.43Å; K134-E179 VanDerWaalsContact CE-OE2 3.27Å; K134-E179 WeakPolarHBondContact CE-OE2 3.24Å; K134-E179 HydrophobicContact CG-CG 3.85Å; K134-E179 IonicContact NZ-OE1 3.79Å; K134-E179 PolarHBondContact NZ-OE1 2.99Å; K134-E179 IonicContact NZ-OE2 2.8Å
135G93.9Very high93.2Very high1 Ų163.4 Ų63.41%0.0131%0.306CS..Hα-helixtrans-57.2-38.3177.100000113.2M131 K132 R137 S139M131-G135 PolarHBondContact O-N 3.41Å; K132-G135 PolarHBondContact O-N 3.44Å; G135-R137 VanDerWaalsContact C-N 3.27Å; G135-R137 PolarHBondContact O-N 3.25Å; G135-S139 WeakPolarHBondContact O-CB 3.48Å; G135-S139 PolarHBondContact O-N 3.45Å
136K93.9Very high93.2Very high27 Ų2759.5 Ų59.512%0.11728%0.279CS..Hα-helixtrans-58.1-37170.9-76.7-178.1175.2-1680113R15 I19 E23 K132 E133 K134 L175R15-K136 WeakPolarHBondContact CD-O 3.29Å; I19-K136 HydrophobicContact CD1-CB 3.93Å; I19-K136 HydrophobicContact CD1-CG 4.32Å; I19-K136 WeakPolarHBondContact CD1-O 3.33Å; E23-K136 IonicContact OE1-NZ 2.87Å; E23-K136 PolarHBondContact OE1-NZ 2.89Å; K132-K136 WeakPolarHBondContact O-CG 3.45Å; K132-K136 PolarHBondContact O-N 2.96Å; E133-K136 IonicContact OE1-NZ 3.85Å; K134-K136 VanDerWaalsContact C-N 3.29Å; K134-K136 PolarHBondContact O-N 3.2Å; K136-L175 HydrophobicContact CG-CD1 4.15Å
137R91.8Very high93Very high187 Ų18765.6 Ų65.671%0.70629%0.289SS*.Hα-helixtrans-85.2-32.2-176.4-65.1174-171.8-176.21.6113.2R15 E133 K134 G135R15-R137 PolarHBondContact NE-O 2.91Å; R15-R137 VanDerWaalsContact NE-O 3.14Å; R15-R137 PolarHBondContact NH2-O 2.96Å; E133-R137 WeakPolarHBondContact O-CG 3.47Å; E133-R137 PolarHBondContact O-N 2.98Å; K134-R137 WeakPolarHBondContact O-CA 3.4Å; K134-R137 PolarHBondContact O-N 3.49Å; G135-R137 VanDerWaalsContact C-N 3.27Å; G135-R137 PolarHBondContact O-N 3.25Å
138S89.6Confident92.7Very high51 Ų5161.2 Ų61.236%0.35727%0.273SS..Hα-helixtrans-121.7-4.7-167.458.10000116K134 E140K134-S138 PolarHBondContact O-N 3.23Å; K134-S138 PolarHBondContact O-OG 3.15Å; S138-E140 PolarHBondContact O-N 3.15Å
139S89.8Confident92.5Very high4 Ų460.8 Ų60.83%0.02827%0.271CS..  trans-59.6127.3-178.6175.80000112.1G135 H141 I142 L175 E178G135-S139 WeakPolarHBondContact O-CB 3.48Å; G135-S139 PolarHBondContact O-N 3.45Å; S139-H141 PolarHBondContact OG-N 2.93Å; S139-I142 PolarHBondContact OG-N 3.28Å; S139-L175 VanDerWaalsContact CB-CD2 3.44Å; S139-L175 WeakPolarHBondContact OG-CD2 3.38Å; S139-E178 VanDerWaalsContact CB-OE2 3.23Å; S139-E178 WeakPolarHBondContact CB-OE2 3.42Å; S139-E178 PolarHBondContact OG-OE1 3.37Å; S139-E178 PolarHBondContact OG-OE2 3.08Å
140E87.8Confident92Very high173 Ų17358.1 Ų58.181%0.80826%0.263SS*.SBendtrans-89.9-23173.3-62.1-176.6167.300111.1S138S138-E140 PolarHBondContact O-N 3.15Å
141H88.7Confident91.4Very high67 Ų6755.5 Ų55.531%0.3126%0.261SS..SBendtrans-95.25.8-175.5-60.794.3000114S139 Q143 R144 I145 E178 Y186S139-H141 PolarHBondContact OG-N 2.93Å; H141-Q143 VanDerWaalsContact C-N 3.26Å; H141-Q143 PolarHBondContact O-N 2.93Å; H141-Q143 VanDerWaalsContact O-N 3.09Å; H141-R144 WeakPolarHBondContact O-CA 3.39Å; H141-R144 WeakPolarHBondContact O-CB 3.46Å; H141-R144 PolarHBondContact O-N 3.09Å; H141-I145 HydrophobicContact CB-CD1 4.27Å; H141-I145 HydrophobicContact CB-CG1 4.39Å; H141-I145 WeakPolarHBondContact O-CG1 3.4Å; H141-I145 PolarHBondContact O-N 3.46Å; H141-E178 IonicContact CE1-OE1 3.68Å; H141-E178 IonicContact CG-OE1 2.72Å; H141-E178 PolarHBondContact N-OE1 2.99Å; H141-E178 IonicContact ND1-OE1 3.56Å; H141-E178 PolarHBondContact ND1-OE1 3.3Å; H141-Y186 HydrophobicContact CB-CD1 4.31Å; H141-Y186 HydrophobicContact CB-CG 4.47Å
142I92Very high91Very high6 Ų655.3 Ų55.33%0.03126%0.26CS..Hα-helixtrans-53.2-37.4-171.8-167169.3000114.2R15 I18 I19 S139 R144 I145 D146 L175R15-I142 HydrophobicContact CB-CG2 3.95Å; R15-I142 HydrophobicContact CG-CD1 3.72Å; R15-I142 HydrophobicContact CG-CG2 3.95Å; I18-I142 HydrophobicContact CB-CD1 4.21Å; I18-I142 HydrophobicContact CD1-CG2 4.31Å; I18-I142 HydrophobicContact CG2-CD1 3.94Å; I18-I142 HydrophobicContact CG2-CG1 4Å; I19-I142 HydrophobicContact CD1-CD1 3.96Å; I19-I142 HydrophobicContact CG1-CD1 3.59Å; S139-I142 PolarHBondContact OG-N 3.28Å; I142-R144 VanDerWaalsContact C-N 3.34Å; I142-R144 PolarHBondContact O-N 3.28Å; I142-I145 PolarHBondContact O-N 2.82Å; I142-D146 WeakPolarHBondContact O-CB 3.38Å; I142-D146 PolarHBondContact O-N 3.4Å; I142-L175 HydrophobicContact CB-CD2 4.46Å; I142-L175 HydrophobicContact CD1-CD2 4.48Å; I142-L175 HydrophobicContact CG1-CD2 4.26Å
143Q90.9Very high90.3Very high50 Ų5056 Ų5623%0.23427%0.265CS..Hα-helixtrans-66.5-38.6178.6-63.6-177.9300112.3W11 E14 I18 H141 R147W11-Q143 VanDerWaalsContact CE3-NE2 3.3Å; E14-Q143 PolarHBondContact OE1-NE2 3.37Å; E14-Q143 PolarHBondContact OE2-NE2 3.38Å; I18-Q143 HydrophobicContact CD1-CG 3.91Å; H141-Q143 VanDerWaalsContact C-N 3.26Å; H141-Q143 PolarHBondContact O-N 2.93Å; H141-Q143 VanDerWaalsContact O-N 3.09Å; Q143-R147 WeakPolarHBondContact O-CB 3.27Å; Q143-R147 PolarHBondContact O-N 3.14Å; Q143-R147 VanDerWaalsContact O-N 3.1Å
144R89.8Confident89.6Confident115 Ų11557 Ų5743%0.43427%0.266SS..Hα-helixtrans-69.4-42.5176.2-168.4-176.9175.3171.81.5109.8H141 I142 R147 D148 Y186H141-R144 WeakPolarHBondContact O-CA 3.39Å; H141-R144 WeakPolarHBondContact O-CB 3.46Å; H141-R144 PolarHBondContact O-N 3.09Å; I142-R144 VanDerWaalsContact C-N 3.34Å; I142-R144 PolarHBondContact O-N 3.28Å; R144-R147 PolarHBondContact O-N 3.06Å; R144-D148 WeakPolarHBondContact O-CB 3.41Å; R144-D148 VanDerWaalsContact O-CG 3.32Å; R144-D148 PolarHBondContact O-N 3.1Å; R144-Y186 HydrophobicContact CB-CE1 4.38Å; R144-Y186 HydrophobicContact CG-CD1 4.32Å; R144-Y186 HydrophobicContact CG-CE1 3.95Å
145I92.4Very high89Confident0 Ų059.6 Ų59.60%028%0.277CS..Hα-helixtrans-60.3-49.4175.8-61.9170.1000110.2H141 I142 R147 D148 V149 L171 L174 L175 Y186H141-I145 HydrophobicContact CB-CD1 4.27Å; H141-I145 HydrophobicContact CB-CG1 4.39Å; H141-I145 WeakPolarHBondContact O-CG1 3.4Å; H141-I145 PolarHBondContact O-N 3.46Å; I142-I145 PolarHBondContact O-N 2.82Å; I145-R147 VanDerWaalsContact C-N 3.33Å; I145-R147 PolarHBondContact O-N 3.09Å; I145-D148 PolarHBondContact O-N 3.17Å; I145-V149 HydrophobicContact CG2-CG2 4.1Å; I145-V149 WeakPolarHBondContact O-CB 3.43Å; I145-V149 VanDerWaalsContact O-CG2 3.26Å; I145-V149 WeakPolarHBondContact O-CG2 3.46Å; I145-V149 PolarHBondContact O-N 2.98Å; I145-L171 HydrophobicContact CB-CD1 4.37Å; I145-L171 HydrophobicContact CG2-CD1 3.56Å; I145-L174 HydrophobicContact CD1-CB 4.47Å; I145-L174 HydrophobicContact CG2-CB 3.8Å; I145-L174 HydrophobicContact CG2-CD1 3.71Å; I145-L174 HydrophobicContact CG2-CG 4.42Å; I145-L175 HydrophobicContact CD1-CD2 3.86Å; I145-Y186 HydrophobicContact CD1-CD2 4.15Å; I145-Y186 HydrophobicContact CD1-CG 4.14Å; I145-Y186 HydrophobicContact CG1-CD1 3.72Å; I145-Y186 HydrophobicContact CG1-CD2 3.72Å; I145-Y186 HydrophobicContact CG1-CE1 3.79Å; I145-Y186 HydrophobicContact CG1-CE2 3.8Å; I145-Y186 HydrophobicContact CG1-CG 3.68Å
146D93.4Very high88.6Confident27 Ų2760 Ų6014%0.14428%0.278CS..Hα-helixtrans-57.7-45.6178.6176.446.9000111.9I18 Y22 I142 D148 V149 S150 R162I18-D146 HydrophobicContact CG2-CB 4.06Å; Y22-D146 HydrophobicContact CE2-CB 4.44Å; Y22-D146 WeakPolarHBondContact CE2-OD1 3.48Å; Y22-D146 VanDerWaalsContact CZ-OD1 3.26Å; Y22-D146 PolarHBondContact OH-OD1 3.41Å; I142-D146 WeakPolarHBondContact O-CB 3.38Å; I142-D146 PolarHBondContact O-N 3.4Å; D146-D148 VanDerWaalsContact C-N 3.34Å; D146-D148 PolarHBondContact O-N 3.24Å; D146-V149 PolarHBondContact O-N 2.66Å; D146-S150 WeakPolarHBondContact O-CB 3.47Å; D146-S150 PolarHBondContact O-N 3.32Å; D146-R162 IonicContact OD1-CZ 3.11Å; D146-R162 IonicContact OD1-NH1 3.74Å; D146-R162 IonicContact OD1-NH2 3.32Å; D146-R162 PolarHBondContact OD1-NH2 2.96Å; D146-R162 IonicContact OD2-NH2 3.95Å; D146-R162 PolarHBondContact OD2-NH2 3.25Å
147R90.7Very high88.1Confident171 Ų17161.2 Ų61.265%0.64529%0.286SS*.Hα-helixtrans-59.9-44.3177.2-169-177.2-53.3-170.34.1111.7Q143 R144 I145 S150 G151Q143-R147 WeakPolarHBondContact O-CB 3.27Å; Q143-R147 PolarHBondContact O-N 3.14Å; Q143-R147 VanDerWaalsContact O-N 3.1Å; R144-R147 PolarHBondContact O-N 3.06Å; I145-R147 VanDerWaalsContact C-N 3.33Å; I145-R147 PolarHBondContact O-N 3.09Å; R147-S150 CarbonylContact O-C 3.58Å; R147-S150 WeakPolarHBondContact O-CB 3.49Å; R147-S150 PolarHBondContact O-N 3.32Å; R147-S150 PolarHBondContact O-OG 3.4Å; R147-G151 PolarHBondContact O-N 2.86Å; R147-G151 VanDerWaalsContact O-N 3.13Å
148D89.8Confident87.8Confident14 Ų1456.4 Ų56.48%0.07527%0.27CS..Hα-helixtrans-71.5-39.7-179.9-71.6-25.6000112.1R144 I145 D146 S150 G151 T152 Y186 R188R144-D148 WeakPolarHBondContact O-CB 3.41Å; R144-D148 VanDerWaalsContact O-CG 3.32Å; R144-D148 PolarHBondContact O-N 3.1Å; I145-D148 PolarHBondContact O-N 3.17Å; D146-D148 VanDerWaalsContact C-N 3.34Å; D146-D148 PolarHBondContact O-N 3.24Å; D148-S150 PolarHBondContact O-N 3.06Å; D148-G151 WeakPolarHBondContact O-CA 2.9Å; D148-G151 PolarHBondContact O-N 2.79Å; D148-T152 WeakPolarHBondContact O-CB 3.21Å; D148-T152 PolarHBondContact O-N 3.36Å; D148-T152 PolarHBondContact O-OG1 3.26Å; D148-Y186 WeakPolarHBondContact CB-OH 3.29Å; D148-Y186 VanDerWaalsContact CG-OH 3.31Å; D148-Y186 VanDerWaalsContact OD2-CE1 3.28Å; D148-Y186 WeakPolarHBondContact OD2-CE1 3.47Å; D148-Y186 PolarHBondContact OD2-OH 3.08Å; D148-R188 IonicContact OD1-NE 3.25Å; D148-R188 WeakPolarHBondContact OD2-CA 3.47Å
149V91.6Very high87.7Confident0 Ų054 Ų540%025%0.253CS..Hα-helixtrans-58-40.3170.6170.50000110.1Y22 I145 D146 G151 T152 Q167 L170 L174Y22-V149 HydrophobicContact CE1-CG1 4.17Å; Y22-V149 VanDerWaalsContact OH-CG1 3.31Å; Y22-V149 WeakPolarHBondContact OH-CG1 3.39Å; I145-V149 HydrophobicContact CG2-CG2 4.1Å; I145-V149 WeakPolarHBondContact O-CB 3.43Å; I145-V149 VanDerWaalsContact O-CG2 3.26Å; I145-V149 WeakPolarHBondContact O-CG2 3.46Å; I145-V149 PolarHBondContact O-N 2.98Å; D146-V149 PolarHBondContact O-N 2.66Å; V149-G151 PolarHBondContact O-N 3.29Å; V149-T152 PolarHBondContact O-N 2.86Å; V149-Q167 HydrophobicContact CG1-CB 3.74Å; V149-Q167 HydrophobicContact CG1-CG 4.01Å; V149-L170 HydrophobicContact CB-CD2 4.46Å; V149-L170 HydrophobicContact CG1-CD2 4.29Å; V149-L170 HydrophobicContact CG2-CD2 4.01Å; V149-L170 HydrophobicContact CG2-CG 4.01Å; V149-L174 HydrophobicContact CG2-CD1 3.93Å
150S87.4Confident87.4Confident35 Ų3555.3 Ų55.325%0.24526%0.258CS..THydrogen-bonded Turntrans-68.2-14172.995.10000113.6D146 R147 D148 R154 R162D146-S150 WeakPolarHBondContact O-CB 3.47Å; D146-S150 PolarHBondContact O-N 3.32Å; R147-S150 CarbonylContact O-C 3.58Å; R147-S150 WeakPolarHBondContact O-CB 3.49Å; R147-S150 PolarHBondContact O-N 3.32Å; R147-S150 PolarHBondContact O-OG 3.4Å; D148-S150 PolarHBondContact O-N 3.06Å; S150-R154 PolarHBondContact O-NE 2.95Å; S150-R154 PolarHBondContact O-NH2 3.33Å; S150-R162 VanDerWaalsContact CA-NH1 3.34Å
151G84.1Confident87.2Confident47 Ų4749.6 Ų49.649%0.48523%0.233SC..THydrogen-bonded Turntrans-95.5-20.7174.100000113.3R147 D148 V149R147-G151 PolarHBondContact O-N 2.86Å; R147-G151 VanDerWaalsContact O-N 3.13Å; D148-G151 WeakPolarHBondContact O-CA 2.9Å; D148-G151 PolarHBondContact O-N 2.79Å; V149-G151 PolarHBondContact O-N 3.29Å
152T86.9Confident87.1Confident0 Ų047.8 Ų47.80%022%0.223CC..THydrogen-bonded Turntrans-82.8127.4-160.8-62.90000112.5D148 V149 R154 F159 L170 S191 H192 A195D148-T152 WeakPolarHBondContact O-CB 3.21Å; D148-T152 PolarHBondContact O-N 3.36Å; D148-T152 PolarHBondContact O-OG1 3.26Å; V149-T152 PolarHBondContact O-N 2.86Å; T152-R154 PolarHBondContact O-N 2.92Å; T152-F159 WeakPolarHBondContact O-CB 3.19Å; T152-L170 HydrophobicContact CG2-CD2 4.03Å; T152-S191 WeakPolarHBondContact OG1-CB 3.44Å; T152-S191 PolarHBondContact OG1-OG 2.83Å; T152-H192 PolarHBondContact OG1-CE1 3.28Å; T152-A195 HydrophobicContact CG2-CB 3.37Å
153L81.1Confident87Confident38 Ų3848.6 Ų48.620%0.19923%0.226CC..THydrogen-bonded Turntrans48.233.6173.5-64.7-176.3000115.4K155 H156 F159 A195 L199L153-K155 PolarHBondContact O-N 3.17Å; L153-H156 HydrophobicContact CB-CB 4.24Å; L153-H156 VanDerWaalsContact O-CB 3.24Å; L153-H156 WeakPolarHBondContact O-CB 3.37Å; L153-H156 PolarHBondContact O-N 3.15Å; L153-F159 HydrophobicContact CB-CB 4.05Å; L153-F159 HydrophobicContact CB-CD2 3.76Å; L153-F159 HydrophobicContact CB-CE2 4.47Å; L153-F159 HydrophobicContact CB-CG 4.04Å; L153-F159 HydrophobicContact CD1-CD2 3.97Å; L153-F159 HydrophobicContact CD1-CE2 3.87Å; L153-F159 WeakPolarHBondContact O-CB 3.22Å; L153-A195 HydrophobicContact CD1-CB 3.79Å; L153-A195 HydrophobicContact CG-CB 4.32Å; L153-L199 HydrophobicContact CD1-CD1 4.11Å; L153-L199 HydrophobicContact CD1-CG 4.42Å
154R81.4Confident86.9Confident82 Ų8246.7 Ų46.731%0.30922%0.22SC..THydrogen-bonded Turntrans-57.1-24.1-173.7-74.1-58.9-163.4126.126.6116.7S150 T152 H156 F159 R160S150-R154 PolarHBondContact O-NE 2.95Å; S150-R154 PolarHBondContact O-NH2 3.33Å; T152-R154 PolarHBondContact O-N 2.92Å; R154-H156 VanDerWaalsContact C-N 3.28Å; R154-F159 VanDerWaalsContact CD-O 3.29Å; R154-F159 WeakPolarHBondContact CD-O 3.36Å; R154-R160 PolarHBondContact NH1-O 2.85Å; R154-R160 WeakPolarHBondContact O-CA 3.48Å
155K81.9Confident86.9Confident156 Ų15645.3 Ų45.368%0.67822%0.224SC*.THydrogen-bonded Turntrans-77.8-15.6175.9-58.3-174.2178.4-176.80112.5I51 V52 L153I51-K155 CarbonylContact C-O 3.51Å; I51-K155 WeakPolarHBondContact CA-O 3.18Å; I51-K155 HydrophobicContact CG2-CB 3.97Å; V52-K155 PolarHBondContact N-O 3.03Å; L153-K155 PolarHBondContact O-N 3.17Å
156H84.8Confident86.9Confident9 Ų947.3 Ų47.34%0.04223%0.233CC..BIsolated β-bridgetrans-83.1135.9178.5-168.7-80.6000110.5L49 G50 I51 L153 R154 F158 F159 R160 L199L49-H156 PolarHBondContact O-CD2 3.33Å; L49-H156 VanDerWaalsContact O-CD2 3.27Å; L49-H156 PolarHBondContact O-NE2 3.23Å; L49-H156 VanDerWaalsContact O-NE2 3.08Å; G50-H156 CarbonylContact O-C 3.57Å; G50-H156 WeakPolarHBondContact O-CA 3.45Å; I51-H156 HydrophobicContact CD1-CB 4.18Å; L153-H156 HydrophobicContact CB-CB 4.24Å; L153-H156 VanDerWaalsContact O-CB 3.24Å; L153-H156 WeakPolarHBondContact O-CB 3.37Å; L153-H156 PolarHBondContact O-N 3.15Å; R154-H156 VanDerWaalsContact C-N 3.28Å; H156-F158 AromaticContact CE1-CD2 3.34Å; H156-F158 WeakPolarHBondContact CE1-CD2 3.41Å; H156-F158 AromaticContact CE1-CE2 3.94Å; H156-F158 AromaticContact CE1-CG 3.67Å; H156-F158 WeakPolarHBondContact ND1-CB 3.34Å; H156-F158 AromaticContact ND1-CD2 3.87Å; H156-F158 AromaticContact ND1-CG 3.81Å; H156-F158 PolarHBondContact ND1-N 3.47Å; H156-F158 PolarHBondContact O-N 2.82Å; H156-F158 VanDerWaalsContact O-N 3.09Å; H156-F159 HydrophobicContact CB-CD2 4.42Å; H156-F159 PolarHBondContact O-N 3.3Å; H156-R160 PolarHBondContact O-N 3.36Å; H156-L199 WeakPolarHBondContact CE1-CD2 3.37Å
157I84.3Confident86.9Confident53 Ų5346 Ų4627%0.27223%0.226SC..THydrogen-bonded Turntrans-52.8-37.8-174.6-168.6172.7000113V46 G50 V52V46-I157 HydrophobicContact CG2-CD1 4.23Å; G50-I157 PolarHBondContact O-N 3.06Å; V52-I157 HydrophobicContact CG2-CB 3.98Å; V52-I157 HydrophobicContact CG2-CG1 4.4Å
158F85.6Confident87.1Confident86 Ų8641.8 Ų41.838%0.37721%0.21SC..THydrogen-bonded Turntrans-70.6-30179-69.1-20.1000115.6H156 K166 L199H156-F158 AromaticContact CE1-CD2 3.34Å; H156-F158 WeakPolarHBondContact CE1-CD2 3.41Å; H156-F158 AromaticContact CE1-CE2 3.94Å; H156-F158 AromaticContact CE1-CG 3.67Å; H156-F158 WeakPolarHBondContact ND1-CB 3.34Å; H156-F158 AromaticContact ND1-CD2 3.87Å; H156-F158 AromaticContact ND1-CG 3.81Å; H156-F158 PolarHBondContact ND1-N 3.47Å; H156-F158 PolarHBondContact O-N 2.82Å; H156-F158 VanDerWaalsContact O-N 3.09Å; F158-K166 HydrophobicContact CB-CB 4.07Å; F158-K166 HydrophobicContact CB-CG 3.77Å; F158-K166 HydrophobicContact CD2-CG 4.48Å; F158-K166 HydrophobicContact CG-CG 4.09Å; F158-K166 WeakPolarHBondContact O-CB 3.14Å; F158-L199 HydrophobicContact CD2-CD2 4.04Å
159F86.9Confident87.4Confident0 Ų042.7 Ų42.70%021%0.214CC..THydrogen-bonded Turntrans-108.81.5-174.5-66.8-80.5000112.9T152 L153 R154 H156 K166 Q167 L170 A195 L198 L199T152-F159 WeakPolarHBondContact O-CB 3.19Å; L153-F159 HydrophobicContact CB-CB 4.05Å; L153-F159 HydrophobicContact CB-CD2 3.76Å; L153-F159 HydrophobicContact CB-CE2 4.47Å; L153-F159 HydrophobicContact CB-CG 4.04Å; L153-F159 HydrophobicContact CD1-CD2 3.97Å; L153-F159 HydrophobicContact CD1-CE2 3.87Å; L153-F159 WeakPolarHBondContact O-CB 3.22Å; R154-F159 VanDerWaalsContact CD-O 3.29Å; R154-F159 WeakPolarHBondContact CD-O 3.36Å; H156-F159 HydrophobicContact CB-CD2 4.42Å; H156-F159 PolarHBondContact O-N 3.3Å; F159-K166 HydrophobicContact CD1-CB 4.24Å; F159-K166 HydrophobicContact CE1-CB 3.93Å; F159-K166 WeakPolarHBondContact CE1-O 3.48Å; F159-K166 HydrophobicContact CZ-CB 4.15Å; F159-Q167 HydrophobicContact CD1-CG 4.29Å; F159-Q167 PolarHBondContact O-NE2 3.18Å; F159-L170 HydrophobicContact CD1-CD2 4.37Å; F159-L170 HydrophobicContact CE1-CB 4.22Å; F159-L170 HydrophobicContact CE1-CD2 3.97Å; F159-A195 HydrophobicContact CE1-CB 4.01Å; F159-A195 HydrophobicContact CE2-CB 4.19Å; F159-A195 HydrophobicContact CZ-CB 3.71Å; F159-L198 HydrophobicContact CE1-CD2 4.22Å; F159-L198 HydrophobicContact CZ-CB 4.37Å; F159-L198 HydrophobicContact CZ-CD2 4.1Å; F159-L199 HydrophobicContact CD2-CD2 4.31Å; F159-L199 HydrophobicContact CE2-CD2 3.69Å; F159-L199 HydrophobicContact CE2-CG 4.24Å
160R83.5Confident87.6Confident32 Ų3242.7 Ų42.712%0.12121%0.214CC..SBendtrans-63.9-51.2-178.1-173.5-173.667.6-155.3-8.4111.8Y42 R154 H156Y42-R160 VanDerWaalsContact CE1-NH1 3.27Å; Y42-R160 VanDerWaalsContact CE1-NH2 3.34Å; Y42-R160 PolarHBondContact OH-NH2 2.87Å; R154-R160 PolarHBondContact NH1-O 2.85Å; R154-R160 WeakPolarHBondContact O-CA 3.48Å; H156-R160 PolarHBondContact O-N 3.36Å
161D83.7Confident88Confident53 Ų5341.1 Ų41.128%0.28320%0.203SC..SBendtrans-81.5130.7-168.3-55.6-26000110.6Y163 G164 Q167D161-Y163 PolarHBondContact O-N 3.24Å; D161-G164 PolarHBondContact O-N 2.97Å; D161-Q167 VanDerWaalsContact O-CD 3.22Å; D161-Q167 PolarHBondContact O-NE2 3.08Å
162R88Confident88.7Confident30 Ų3039.5 Ų39.511%0.11318%0.183CC..THydrogen-bonded Turntrans-63.4136.6179.1-81.1-61.1-67.8160-24109.9Y22 H26 D146 S150 G164Y22-R162 PolarHBondContact OH-NH1 3.39Å; H26-R162 VanDerWaalsContact CB-O 3.32Å; H26-R162 WeakPolarHBondContact CB-O 3.35Å; H26-R162 PolarHBondContact ND1-O 2.83Å; H26-R162 VanDerWaalsContact ND1-O 3.13Å; D146-R162 IonicContact OD1-CZ 3.11Å; D146-R162 IonicContact OD1-NH1 3.74Å; D146-R162 IonicContact OD1-NH2 3.32Å; D146-R162 PolarHBondContact OD1-NH2 2.96Å; D146-R162 IonicContact OD2-NH2 3.95Å; D146-R162 PolarHBondContact OD2-NH2 3.25Å; S150-R162 VanDerWaalsContact CA-NH1 3.34Å; R162-G164 PolarHBondContact O-N 3.01Å
163Y89.8Confident89.1Confident22 Ų2239.5 Ų39.59%0.08618%0.183CC..THydrogen-bonded Turntrans58.417.3-178.5-42.1-63.5000113.5K21 Y22 G25 H26 D161 Q167K21-Y163 HydrophobicContact CB-CD1 4.17Å; K21-Y163 HydrophobicContact CB-CE1 3.85Å; K21-Y163 HydrophobicContact CB-CE2 4.42Å; Y22-Y163 HydrophobicContact CD1-CD1 4.02Å; Y22-Y163 AromaticContact CD2-CD1 3.76Å; Y22-Y163 HydrophobicContact CD2-CD1 3.76Å; Y22-Y163 HydrophobicContact CD2-CE1 4.02Å; Y22-Y163 HydrophobicContact CE1-CD1 4.01Å; Y22-Y163 AromaticContact CE2-CD1 3.74Å; Y22-Y163 HydrophobicContact CE2-CD1 3.74Å; Y22-Y163 AromaticContact CE2-CE1 3.74Å; Y22-Y163 HydrophobicContact CE2-CE1 3.74Å; Y22-Y163 AromaticContact CG-CD1 3.92Å; Y22-Y163 HydrophobicContact CG-CD1 3.92Å; Y22-Y163 AromaticContact CZ-CD1 3.86Å; G25-Y163 CarbonylContact C-O 3.53Å; G25-Y163 WeakPolarHBondContact CA-O 3.26Å; H26-Y163 PolarHBondContact N-O 3.28Å; H26-Y163 VanDerWaalsContact N-O 3.11Å; D161-Y163 PolarHBondContact O-N 3.24Å; Y163-Q167 VanDerWaalsContact N-OE1 3.12Å
164G88.4Confident89.8Confident11 Ų1137.7 Ų37.711%0.11317%0.173CC..  trans-64.6163.4173.200000111.8D161 R162 K166 Q167 R168D161-G164 PolarHBondContact O-N 2.97Å; R162-G164 PolarHBondContact O-N 3.01Å; G164-K166 VanDerWaalsContact C-N 3.29Å; G164-K166 PolarHBondContact O-N 2.95Å; G164-K166 VanDerWaalsContact O-N 3.14Å; G164-Q167 PolarHBondContact O-N 2.97Å; G164-R168 PolarHBondContact O-N 3.35Å
165T89.8Confident90.5Very high85 Ų8533.8 Ų33.852%0.52116%0.159SC..Hα-helixtrans-49.5-46.8-173.9-52.20000112.9R168 E169T165-R168 WeakPolarHBondContact O-CB 3.48Å; T165-R168 PolarHBondContact O-N 3.39Å; T165-E169 WeakPolarHBondContact O-CG 3.29Å; T165-E169 PolarHBondContact O-N 3.43Å
166K91.4Very high91.2Very high43 Ų4326.4 Ų26.419%0.18713%0.126CC..Hα-helixtrans-75.2-29.6-178.8-64.8-60.6-168.1174.70113.9F158 F159 G164 R168 E169 L170 L198F158-K166 HydrophobicContact CB-CB 4.07Å; F158-K166 HydrophobicContact CB-CG 3.77Å; F158-K166 HydrophobicContact CD2-CG 4.48Å; F158-K166 HydrophobicContact CG-CG 4.09Å; F158-K166 WeakPolarHBondContact O-CB 3.14Å; F159-K166 HydrophobicContact CD1-CB 4.24Å; F159-K166 HydrophobicContact CE1-CB 3.93Å; F159-K166 WeakPolarHBondContact CE1-O 3.48Å; F159-K166 HydrophobicContact CZ-CB 4.15Å; G164-K166 VanDerWaalsContact C-N 3.29Å; G164-K166 PolarHBondContact O-N 2.95Å; G164-K166 VanDerWaalsContact O-N 3.14Å; K166-R168 VanDerWaalsContact C-N 3.32Å; K166-E169 WeakPolarHBondContact CD-OE2 3.18Å; K166-E169 WeakPolarHBondContact CE-OE2 3.41Å; K166-E169 IonicContact NZ-OE1 2.61Å; K166-E169 IonicContact NZ-OE2 2.91Å; K166-E169 PolarHBondContact NZ-OE2 2.92Å; K166-L170 VanDerWaalsContact O-CB 3.26Å; K166-L170 WeakPolarHBondContact O-CB 3.07Å; K166-L170 PolarHBondContact O-N 2.93Å; K166-L198 HydrophobicContact CD-CD2 4.33Å; K166-L198 HydrophobicContact CD-CG 4.16Å; K166-L198 WeakPolarHBondContact O-CD2 3.37Å
167Q93.4Very high91.6Very high0 Ų026.2 Ų26.20%013%0.125CC..Hα-helixtrans-66.4-37.7169.5-72.9-165.54.800111.1Y22 V149 F159 D161 Y163 G164 L170 L171Y22-Q167 HydrophobicContact CE1-CB 4.21Å; V149-Q167 HydrophobicContact CG1-CB 3.74Å; V149-Q167 HydrophobicContact CG1-CG 4.01Å; F159-Q167 HydrophobicContact CD1-CG 4.29Å; F159-Q167 PolarHBondContact O-NE2 3.18Å; D161-Q167 VanDerWaalsContact O-CD 3.22Å; D161-Q167 PolarHBondContact O-NE2 3.08Å; Y163-Q167 VanDerWaalsContact N-OE1 3.12Å; G164-Q167 PolarHBondContact O-N 2.97Å; Q167-L170 PolarHBondContact O-N 3.3Å; Q167-L171 PolarHBondContact O-N 3.33Å
168R95.1Very high91.9Very high81 Ų8124.7 Ų24.731%0.30612%0.117SC..Hα-helixtrans-67.3-47.6176.4-176.8177.871.5-171.50.3112.5Y22 G164 T165 K166 L170 L171 H172Y22-R168 HydrophobicContact CD1-CB 4.02Å; Y22-R168 HydrophobicContact CD1-CG 4.38Å; Y22-R168 WeakPolarHBondContact O-CD 3.36Å; G164-R168 PolarHBondContact O-N 3.35Å; T165-R168 WeakPolarHBondContact O-CB 3.48Å; T165-R168 PolarHBondContact O-N 3.39Å; K166-R168 VanDerWaalsContact C-N 3.32Å; R168-L170 PolarHBondContact O-N 3.42Å; R168-L171 WeakPolarHBondContact O-CB 3.46Å; R168-L171 PolarHBondContact O-N 3.12Å; R168-H172 VanDerWaalsContact O-CG 3.24Å; R168-H172 PolarHBondContact O-N 3.38Å; R168-H172 PolarHBondContact O-ND1 3.48Å
169E96.4Very high92.2Very high33 Ų3322.6 Ų22.615%0.15411%0.108CC..Hα-helixtrans-57-41.6173-72.8177.3-170.200110.9T165 K166 H172 I173 L198 E203T165-E169 WeakPolarHBondContact O-CG 3.29Å; T165-E169 PolarHBondContact O-N 3.43Å; K166-E169 WeakPolarHBondContact CD-OE2 3.18Å; K166-E169 WeakPolarHBondContact CE-OE2 3.41Å; K166-E169 IonicContact NZ-OE1 2.61Å; K166-E169 IonicContact NZ-OE2 2.91Å; K166-E169 PolarHBondContact NZ-OE2 2.92Å; E169-H172 WeakPolarHBondContact O-CB 3.23Å; E169-H172 PolarHBondContact O-N 3.22Å; E169-I173 WeakPolarHBondContact O-CD1 3.12Å; E169-I173 VanDerWaalsContact O-CG1 3.31Å; E169-I173 WeakPolarHBondContact O-CG1 3.38Å; E169-I173 PolarHBondContact O-N 3.28Å; E169-L198 HydrophobicContact CB-CD1 4.11Å; E169-L198 HydrophobicContact CB-CD2 3.7Å; E169-L198 HydrophobicContact CB-CG 4.43Å; E169-L198 WeakPolarHBondContact OE2-CD1 3.28Å; E169-E203 HydrophobicContact CB-CB 4.4Å; E169-E203 HydrophobicContact CB-CG 4.01Å; E169-E203 HydrophobicContact CG-CB 4.19Å; E169-E203 HydrophobicContact CG-CG 4.13Å; E169-E203 WeakPolarHBondContact CG-OE2 3.33Å
170L96.3Very high92.3Very high0 Ų025.9 Ų25.90%012%0.121CC..Hα-helixtrans-62.4-45.3176-178.260.8000112.4V149 T152 F159 K166 Q167 R168 H172 I173 L174 S191 A194 A195 L198V149-L170 HydrophobicContact CB-CD2 4.46Å; V149-L170 HydrophobicContact CG1-CD2 4.29Å; V149-L170 HydrophobicContact CG2-CD2 4.01Å; V149-L170 HydrophobicContact CG2-CG 4.01Å; T152-L170 HydrophobicContact CG2-CD2 4.03Å; F159-L170 HydrophobicContact CD1-CD2 4.37Å; F159-L170 HydrophobicContact CE1-CB 4.22Å; F159-L170 HydrophobicContact CE1-CD2 3.97Å; K166-L170 VanDerWaalsContact O-CB 3.26Å; K166-L170 WeakPolarHBondContact O-CB 3.07Å; K166-L170 PolarHBondContact O-N 2.93Å; Q167-L170 PolarHBondContact O-N 3.3Å; R168-L170 PolarHBondContact O-N 3.42Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.43Å; L170-I173 PolarHBondContact O-N 3.01Å; L170-L174 HydrophobicContact CD1-CD1 4.17Å; L170-L174 HydrophobicContact CD1-CG 4.33Å; L170-L174 HydrophobicContact CG-CD1 4.09Å; L170-L174 VanDerWaalsContact O-CG 3.28Å; L170-L174 WeakPolarHBondContact O-CG 3.3Å; L170-L174 PolarHBondContact O-N 3.28Å; L170-L174 VanDerWaalsContact O-N 3.14Å; L170-S191 WeakPolarHBondContact CD1-O 3.46Å; L170-A194 HydrophobicContact CD1-CB 3.46Å; L170-A194 VanDerWaalsContact CD1-CB 3.46Å; L170-A195 HydrophobicContact CD1-CB 4.12Å; L170-A195 HydrophobicContact CD2-CB 3.95Å; L170-L198 HydrophobicContact CB-CD2 3.98Å
171L96.4Very high92.4Very high3 Ų326.3 Ų26.32%0.01613%0.126CC..Hα-helixtrans-56.4-48174.1178.573.2000110.9Y22 I145 Q167 R168 I173 L174 L175Y22-L171 HydrophobicContact CD1-CB 4.23Å; Y22-L171 HydrophobicContact CD1-CD2 3.77Å; Y22-L171 HydrophobicContact CD2-CD2 3.42Å; Y22-L171 VanDerWaalsContact CD2-CD2 3.42Å; Y22-L171 HydrophobicContact CE1-CB 4.05Å; Y22-L171 HydrophobicContact CE1-CD2 4.07Å; Y22-L171 HydrophobicContact CE2-CD2 3.77Å; Y22-L171 HydrophobicContact CG-CD2 3.41Å; Y22-L171 VanDerWaalsContact CG-CD2 3.41Å; I145-L171 HydrophobicContact CB-CD1 4.37Å; I145-L171 HydrophobicContact CG2-CD1 3.56Å; Q167-L171 PolarHBondContact O-N 3.33Å; R168-L171 WeakPolarHBondContact O-CB 3.46Å; R168-L171 PolarHBondContact O-N 3.12Å; L171-I173 VanDerWaalsContact C-N 3.34Å; L171-I173 PolarHBondContact O-N 3.25Å; L171-L174 PolarHBondContact O-N 3.15Å; L171-L175 HydrophobicContact CD1-CD1 4.17Å; L171-L175 HydrophobicContact CD1-CG 4.25Å; L171-L175 HydrophobicContact CD2-CD1 4.29Å; L171-L175 HydrophobicContact CG-CD1 3.83Å; L171-L175 HydrophobicContact CG-CG 4.28Å; L171-L175 VanDerWaalsContact O-CG 3.32Å; L171-L175 WeakPolarHBondContact O-CG 3.28Å; L171-L175 PolarHBondContact O-N 2.89Å
172H97.1Very high92.2Very high12 Ų1228.1 Ų28.16%0.05614%0.141CC..Hα-helixtrans-58.2-45.1-179.9-63.1158.1000112.6Y128 K132 R168 E169 L170 L174 L175 A176 E203Y128-H172 WeakPolarHBondContact OH-CB 3.46Å; K132-H172 HydrophobicContact CD-CB 4.02Å; K132-H172 VanDerWaalsContact CE-CG 3.42Å; K132-H172 WeakPolarHBondContact CE-ND1 3.33Å; K132-H172 HydrophobicContact CG-CB 4.21Å; K132-H172 PolarHBondContact NZ-ND1 3.36Å; R168-H172 VanDerWaalsContact O-CG 3.24Å; R168-H172 PolarHBondContact O-N 3.38Å; R168-H172 PolarHBondContact O-ND1 3.48Å; E169-H172 WeakPolarHBondContact O-CB 3.23Å; E169-H172 PolarHBondContact O-N 3.22Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.43Å; H172-L174 VanDerWaalsContact C-N 3.33Å; H172-L174 PolarHBondContact O-N 3.39Å; H172-L175 PolarHBondContact O-N 2.99Å; H172-A176 VanDerWaalsContact O-CB 3.29Å; H172-A176 WeakPolarHBondContact O-CB 3.24Å; H172-A176 PolarHBondContact O-N 2.77Å; H172-E203 IonicContact CE1-OE2 3.67Å; H172-E203 IonicContact CG-OE1 2.72Å; H172-E203 IonicContact CG-OE2 3.46Å; H172-E203 IonicContact ND1-OE1 2.7Å; H172-E203 IonicContact ND1-OE2 2.61Å; H172-E203 PolarHBondContact ND1-OE2 3.44Å
173I97.1Very high91.6Very high0 Ų035.1 Ų35.10%018%0.175CC..Hα-helixtrans-60.9-43.9179.1-68.6162.4000110.8E169 L170 L171 A176 Y177 A194 L198 E203 A206 F207 L210E169-I173 WeakPolarHBondContact O-CD1 3.12Å; E169-I173 VanDerWaalsContact O-CG1 3.31Å; E169-I173 WeakPolarHBondContact O-CG1 3.38Å; E169-I173 PolarHBondContact O-N 3.28Å; L170-I173 PolarHBondContact O-N 3.01Å; L171-I173 VanDerWaalsContact C-N 3.34Å; L171-I173 PolarHBondContact O-N 3.25Å; I173-A176 PolarHBondContact O-N 3.5Å; I173-Y177 WeakPolarHBondContact O-CB 3.49Å; I173-Y177 PolarHBondContact O-N 3.07Å; I173-A194 HydrophobicContact CG2-CB 4.08Å; I173-L198 HydrophobicContact CD1-CD1 3.79Å; I173-L198 HydrophobicContact CD1-CD2 4.25Å; I173-L198 HydrophobicContact CD1-CG 4.46Å; I173-E203 HydrophobicContact CD1-CG 4.27Å; I173-E203 WeakPolarHBondContact CD1-O 3.25Å; I173-E203 HydrophobicContact CG1-CG 4.07Å; I173-A206 HydrophobicContact CD1-CB 3.79Å; I173-F207 HydrophobicContact CG1-CB 4.27Å; I173-F207 HydrophobicContact CG2-CB 4.13Å; I173-F207 HydrophobicContact CG2-CD2 4.47Å; I173-L210 HydrophobicContact CG2-CD2 4.26Å
174L95.4Very high90.7Very high0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-70-41.4-177.5-64172.7000112I145 V149 L170 L171 H172 Y177 E178 Y186 L190 A194I145-L174 HydrophobicContact CD1-CB 4.47Å; I145-L174 HydrophobicContact CG2-CB 3.8Å; I145-L174 HydrophobicContact CG2-CD1 3.71Å; I145-L174 HydrophobicContact CG2-CG 4.42Å; V149-L174 HydrophobicContact CG2-CD1 3.93Å; L170-L174 HydrophobicContact CD1-CD1 4.17Å; L170-L174 HydrophobicContact CD1-CG 4.33Å; L170-L174 HydrophobicContact CG-CD1 4.09Å; L170-L174 VanDerWaalsContact O-CG 3.28Å; L170-L174 WeakPolarHBondContact O-CG 3.3Å; L170-L174 PolarHBondContact O-N 3.28Å; L170-L174 VanDerWaalsContact O-N 3.14Å; L171-L174 PolarHBondContact O-N 3.15Å; H172-L174 VanDerWaalsContact C-N 3.33Å; H172-L174 PolarHBondContact O-N 3.39Å; L174-Y177 PolarHBondContact O-N 3.3Å; L174-E178 PolarHBondContact O-N 3.36Å; L174-Y186 HydrophobicContact CB-CE2 4.34Å; L174-Y186 HydrophobicContact CD1-CE2 4.05Å; L174-Y186 HydrophobicContact CD2-CE2 4.02Å; L174-Y186 HydrophobicContact CG-CE2 4.34Å; L174-L190 HydrophobicContact CD2-CB 3.9Å; L174-A194 HydrophobicContact CD2-CB 4.01Å
175L95.3Very high90.1Very high1 Ų136.5 Ų36.51%0.00519%0.185CC..Hα-helixtrans-62.3-43.8173.5-68.8174.7000111.6K136 S139 I142 I145 L171 H172 Y177 E179K136-L175 HydrophobicContact CG-CD1 4.15Å; S139-L175 VanDerWaalsContact CB-CD2 3.44Å; S139-L175 WeakPolarHBondContact OG-CD2 3.38Å; I142-L175 HydrophobicContact CB-CD2 4.46Å; I142-L175 HydrophobicContact CD1-CD2 4.48Å; I142-L175 HydrophobicContact CG1-CD2 4.26Å; I145-L175 HydrophobicContact CD1-CD2 3.86Å; L171-L175 HydrophobicContact CD1-CD1 4.17Å; L171-L175 HydrophobicContact CD1-CG 4.25Å; L171-L175 HydrophobicContact CD2-CD1 4.29Å; L171-L175 HydrophobicContact CG-CD1 3.83Å; L171-L175 HydrophobicContact CG-CG 4.28Å; L171-L175 VanDerWaalsContact O-CG 3.32Å; L171-L175 WeakPolarHBondContact O-CG 3.28Å; L171-L175 PolarHBondContact O-N 2.89Å; H172-L175 PolarHBondContact O-N 2.99Å; L175-Y177 VanDerWaalsContact C-N 3.31Å; L175-Y177 PolarHBondContact O-N 3.29Å; L175-E179 PolarHBondContact O-N 2.94Å
176A96.1Very high89.7Confident0 Ų033 Ų330%016%0.163CC..Hα-helixtrans-64.8-36.4176.700000112Y128 M131 K132 H172 I173 Y180 F207Y128-A176 HydrophobicContact CD2-CB 3.96Å; Y128-A176 HydrophobicContact CE2-CB 3.65Å; M131-A176 HydrophobicContact CB-CB 4.02Å; K132-A176 HydrophobicContact CB-CB 4.21Å; H172-A176 VanDerWaalsContact O-CB 3.29Å; H172-A176 WeakPolarHBondContact O-CB 3.24Å; H172-A176 PolarHBondContact O-N 2.77Å; I173-A176 PolarHBondContact O-N 3.5Å; A176-Y180 WeakPolarHBondContact O-CB 3.4Å; A176-Y180 PolarHBondContact O-N 3.47Å; A176-F207 HydrophobicContact CB-CD2 3.93Å; A176-F207 HydrophobicContact CB-CE2 3.78Å
177Y93.1Very high89.1Confident5 Ų533.6 Ų33.62%0.0217%0.172CC..Hα-helixtrans-69.8-42.8179.3-178.8-89.9000112.5I173 L174 L175 E179 Y180 N181 L190 L210 V211 L214I173-Y177 WeakPolarHBondContact O-CB 3.49Å; I173-Y177 PolarHBondContact O-N 3.07Å; L174-Y177 PolarHBondContact O-N 3.3Å; L175-Y177 VanDerWaalsContact C-N 3.31Å; L175-Y177 PolarHBondContact O-N 3.29Å; Y177-E179 PolarHBondContact O-N 3.46Å; Y177-Y180 PolarHBondContact O-N 2.97Å; Y177-N181 PolarHBondContact O-N 3.37Å; Y177-L190 HydrophobicContact CD1-CD1 3.73Å; Y177-L190 HydrophobicContact CE1-CD1 3.65Å; Y177-L210 HydrophobicContact CD2-CD2 3.84Å; Y177-L210 HydrophobicContact CD2-CG 4.15Å; Y177-L210 HydrophobicContact CE2-CD2 4.49Å; Y177-L210 HydrophobicContact CE2-CG 4.41Å; Y177-L210 HydrophobicContact CG-CD2 3.93Å; Y177-V211 HydrophobicContact CD2-CG2 4.01Å; Y177-V211 HydrophobicContact CE2-CG2 4.28Å; Y177-L214 HydrophobicContact CE1-CD1 4.19Å; Y177-L214 HydrophobicContact CE2-CD1 3.61Å; Y177-L214 WeakPolarHBondContact OH-CD1 3.48Å
178E90.6Very high88.3Confident21 Ų2140.3 Ų40.310%0.09820%0.197CC..Hα-helixtrans-53.2-44.3174.8-177.7-174.9-169.600111.1S139 H141 L174 N181S139-E178 VanDerWaalsContact CB-OE2 3.23Å; S139-E178 WeakPolarHBondContact CB-OE2 3.42Å; S139-E178 PolarHBondContact OG-OE1 3.37Å; S139-E178 PolarHBondContact OG-OE2 3.08Å; H141-E178 IonicContact CE1-OE1 3.68Å; H141-E178 IonicContact CG-OE1 2.72Å; H141-E178 PolarHBondContact N-OE1 2.99Å; H141-E178 IonicContact ND1-OE1 3.56Å; H141-E178 PolarHBondContact ND1-OE1 3.3Å; L174-E178 PolarHBondContact O-N 3.36Å; E178-N181 CarbonylContact O-C 3.25Å
179E92Very high87.4Confident42 Ų4238 Ų3820%0.19619%0.191CC..Hα-helixtrans-73.2-31.1177.3-17449.8-132.200112.5M131 K134 L175 Y177M131-E179 HydrophobicContact CB-CB 4.46Å; M131-E179 HydrophobicContact CB-CG 4.46Å; M131-E179 HydrophobicContact CE-CB 4.01Å; M131-E179 HydrophobicContact CE-CG 3.55Å; M131-E179 WeakPolarHBondContact CE-O 3.26Å; M131-E179 HydrophobicContact SD-CG 4.02Å; K134-E179 HydrophobicContact CB-CG 4.01Å; K134-E179 HydrophobicContact CD-CG 3.73Å; K134-E179 VanDerWaalsContact CD-OE1 3.26Å; K134-E179 WeakPolarHBondContact CD-OE1 3.4Å; K134-E179 WeakPolarHBondContact CE-OE1 3.43Å; K134-E179 VanDerWaalsContact CE-OE2 3.27Å; K134-E179 WeakPolarHBondContact CE-OE2 3.24Å; K134-E179 HydrophobicContact CG-CG 3.85Å; K134-E179 IonicContact NZ-OE1 3.79Å; K134-E179 PolarHBondContact NZ-OE1 2.99Å; K134-E179 IonicContact NZ-OE2 2.8Å; L175-E179 PolarHBondContact O-N 2.94Å; Y177-E179 PolarHBondContact O-N 3.46Å
180Y89.8Confident86.9Confident70 Ų7037 Ų3728%0.27519%0.186SC..Hα-helixtrans-70.2-35.6-179.9-174.7-87.7000112.8M131 A176 Y177 F207 W208 V211M131-Y180 HydrophobicContact CE-CD2 4.39Å; M131-Y180 VanDerWaalsContact CE-N 3.34Å; A176-Y180 WeakPolarHBondContact O-CB 3.4Å; A176-Y180 PolarHBondContact O-N 3.47Å; Y177-Y180 PolarHBondContact O-N 2.97Å; Y180-F207 AromaticContact CD2-CZ 3.89Å; Y180-F207 HydrophobicContact CD2-CZ 3.89Å; Y180-F207 AromaticContact CG-CZ 4Å; Y180-F207 HydrophobicContact CG-CZ 4Å; Y180-W208 HydrophobicContact CE2-CH2 4.11Å; Y180-W208 AromaticContact CE2-CZ3 3.96Å; Y180-W208 HydrophobicContact CE2-CZ3 3.96Å; Y180-V211 HydrophobicContact CD1-CG1 4.13Å; Y180-V211 HydrophobicContact CD1-CG2 3.9Å; Y180-V211 HydrophobicContact CE1-CB 4.38Å; Y180-V211 HydrophobicContact CE1-CG1 3.4Å; Y180-V211 HydrophobicContact CE1-CG2 4.01Å; Y180-V211 HydrophobicContact CG-CG2 4.32Å
181N84.6Confident86.5Confident40 Ų4037 Ų3721%0.21419%0.186CC..  trans-134.476.8-180-165.2-8.5000111Y177 E178 E183 V184 G185Y177-N181 PolarHBondContact O-N 3.37Å; E178-N181 CarbonylContact O-C 3.25Å; N181-E183 PolarHBondContact O-N 2.7Å; N181-V184 VanDerWaalsContact ND2-CG2 3.29Å; N181-V184 WeakPolarHBondContact ND2-CG2 3.46Å; N181-V184 PolarHBondContact O-N 3.46Å; N181-G185 PolarHBondContact O-N 3.14Å
182P81.2Confident86Confident92 Ų9237.7 Ų37.760%0.59719%0.189SC*.THydrogen-bonded Turntrans-63.7-27.3-175.725.9-34.8000112.6V184 G185P182-V184 PolarHBondContact O-N 2.66Å; P182-G185 PolarHBondContact O-N 2.9Å
183E74Confident85.5Confident177 Ų17737.2 Ų37.283%0.82719%0.187SC*.THydrogen-bonded Turntrans-65.5-36.8178.3-60.5-60.8142.600112.7N181N181-E183 PolarHBondContact O-N 2.7Å
184V71.8Confident85.3Confident51 Ų5137.2 Ų37.231%0.30919%0.187SC..THydrogen-bonded Turntrans-85-34.9175.9176.60000110.5N181 P182N181-V184 VanDerWaalsContact ND2-CG2 3.29Å; N181-V184 WeakPolarHBondContact ND2-CG2 3.46Å; N181-V184 PolarHBondContact O-N 3.46Å; P182-V184 PolarHBondContact O-N 2.66Å
185G75.6Confident85.1Confident11 Ų1137.2 Ų37.211%0.11319%0.187CC..  trans60.3-157.5-176.500000113N181 P182N181-G185 PolarHBondContact O-N 3.14Å; P182-G185 PolarHBondContact O-N 2.9Å
186Y80.1Confident84.9Confident12 Ų1237.5 Ų37.55%0.04719%0.189CC..  trans-95.2126.2178.9177.9-102.3000112.7H141 R144 I145 D148 L174 L190H141-Y186 HydrophobicContact CB-CD1 4.31Å; H141-Y186 HydrophobicContact CB-CG 4.47Å; R144-Y186 HydrophobicContact CB-CE1 4.38Å; R144-Y186 HydrophobicContact CG-CD1 4.32Å; R144-Y186 HydrophobicContact CG-CE1 3.95Å; I145-Y186 HydrophobicContact CD1-CD2 4.15Å; I145-Y186 HydrophobicContact CD1-CG 4.14Å; I145-Y186 HydrophobicContact CG1-CD1 3.72Å; I145-Y186 HydrophobicContact CG1-CD2 3.72Å; I145-Y186 HydrophobicContact CG1-CE1 3.79Å; I145-Y186 HydrophobicContact CG1-CE2 3.8Å; I145-Y186 HydrophobicContact CG1-CG 3.68Å; D148-Y186 WeakPolarHBondContact CB-OH 3.29Å; D148-Y186 VanDerWaalsContact CG-OH 3.31Å; D148-Y186 VanDerWaalsContact OD2-CE1 3.28Å; D148-Y186 WeakPolarHBondContact OD2-CE1 3.47Å; D148-Y186 PolarHBondContact OD2-OH 3.08Å; L174-Y186 HydrophobicContact CB-CE2 4.34Å; L174-Y186 HydrophobicContact CD1-CE2 4.05Å; L174-Y186 HydrophobicContact CD2-CE2 4.02Å; L174-Y186 HydrophobicContact CG-CE2 4.34Å; Y186-L190 HydrophobicContact CD2-CD1 4.24Å; Y186-L190 HydrophobicContact CE2-CB 4.28Å
187C79.8Confident84.7Confident55 Ų5537.5 Ų37.537%0.37219%0.189SC..  trans-116.9143.7169.1-178.40000110.9D189 L190C187-D189 PolarHBondContact O-N 3.27Å; C187-D189 VanDerWaalsContact O-N 3.08Å; C187-L190 HydrophobicContact CB-CD1 4.48Å; C187-L190 HydrophobicContact CB-CG 4.35Å; C187-L190 VanDerWaalsContact O-CB 3.29Å; C187-L190 WeakPolarHBondContact O-CB 3.04Å; C187-L190 WeakPolarHBondContact O-CG 3.37Å; C187-L190 PolarHBondContact O-N 3.5Å
188R77Confident84.8Confident140 Ų14037.4 Ų37.453%0.52819%0.188SC..THydrogen-bonded Turntrans-49.9-38.1-177.8177172.6-175.7-152.8-4.8113.5D148 L190 S191D148-R188 IonicContact OD1-NE 3.25Å; D148-R188 WeakPolarHBondContact OD2-CA 3.47Å; R188-L190 PolarHBondContact O-N 3.03Å; R188-S191 PolarHBondContact O-N 3.44Å; R188-S191 PolarHBondContact O-OG 2.82Å
189D76.5Confident84.8Confident33 Ų3337 Ų3718%0.17619%0.187CC..THydrogen-bonded Turntrans-67.4-23-175.9-71.8-17.1000112.9C187 S191 H192 I193 G267 I270C187-D189 PolarHBondContact O-N 3.27Å; C187-D189 VanDerWaalsContact O-N 3.08Å; D189-S191 VanDerWaalsContact C-N 3.3Å; D189-S191 PolarHBondContact O-N 3.23Å; D189-H192 PolarHBondContact O-N 3.03Å; D189-I193 PolarHBondContact O-N 2.67Å; D189-G267 WeakPolarHBondContact OD2-CA 3.3Å; D189-I270 HydrophobicContact CB-CB 4.34Å; D189-I270 HydrophobicContact CB-CD1 3.9Å; D189-I270 HydrophobicContact CB-CG2 3.72Å
190L84.6Confident84.8Confident11 Ų1137.1 Ų37.16%0.05819%0.186CC..Hα-helixtrans-63.9-34.8-179.5-62.7177.8000112.6L174 Y177 Y186 C187 R188 H192 I193 A194 L210 L214L174-L190 HydrophobicContact CD2-CB 3.9Å; Y177-L190 HydrophobicContact CD1-CD1 3.73Å; Y177-L190 HydrophobicContact CE1-CD1 3.65Å; Y186-L190 HydrophobicContact CD2-CD1 4.24Å; Y186-L190 HydrophobicContact CE2-CB 4.28Å; C187-L190 HydrophobicContact CB-CD1 4.48Å; C187-L190 HydrophobicContact CB-CG 4.35Å; C187-L190 VanDerWaalsContact O-CB 3.29Å; C187-L190 WeakPolarHBondContact O-CB 3.04Å; C187-L190 WeakPolarHBondContact O-CG 3.37Å; C187-L190 PolarHBondContact O-N 3.5Å; R188-L190 PolarHBondContact O-N 3.03Å; L190-H192 VanDerWaalsContact C-N 3.26Å; L190-H192 PolarHBondContact O-N 2.86Å; L190-I193 PolarHBondContact O-N 3.35Å; L190-A194 VanDerWaalsContact O-CB 3.28Å; L190-A194 WeakPolarHBondContact O-CB 3.32Å; L190-A194 PolarHBondContact O-N 2.64Å; L190-L210 HydrophobicContact CD2-CD1 4.29Å; L190-L214 HydrophobicContact CD2-CD1 3.63Å
191S88.6Confident85.1Confident0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-55.2-42.5179.258.80000112.4T152 L170 R188 D189 A195T152-S191 WeakPolarHBondContact OG1-CB 3.44Å; T152-S191 PolarHBondContact OG1-OG 2.83Å; L170-S191 WeakPolarHBondContact CD1-O 3.46Å; R188-S191 PolarHBondContact O-N 3.44Å; R188-S191 PolarHBondContact O-OG 2.82Å; D189-S191 VanDerWaalsContact C-N 3.3Å; D189-S191 PolarHBondContact O-N 3.23Å; S191-A195 VanDerWaalsContact O-CB 3.23Å; S191-A195 WeakPolarHBondContact O-CB 3.4Å; S191-A195 PolarHBondContact O-N 2.64Å
192H85.3Confident85.6Confident19 Ų1935.7 Ų35.79%0.08819%0.187CC..Hα-helixtrans-78-37-177.2-6784.2000112.4T152 D189 L190 A195 L196 I270 I274T152-H192 PolarHBondContact OG1-CE1 3.28Å; D189-H192 PolarHBondContact O-N 3.03Å; L190-H192 VanDerWaalsContact C-N 3.26Å; L190-H192 PolarHBondContact O-N 2.86Å; H192-A195 PolarHBondContact O-N 3.38Å; H192-L196 WeakPolarHBondContact O-CG 3.32Å; H192-L196 PolarHBondContact O-N 3.15Å; H192-I270 HydrophobicContact CB-CG2 4.38Å; H192-I274 HydrophobicContact CB-CD1 3.77Å; H192-I274 HydrophobicContact CB-CG1 3.76Å; H192-I274 WeakPolarHBondContact CD2-CG1 3.38Å; H192-I274 VanDerWaalsContact ND1-CD1 3.3Å; H192-I274 WeakPolarHBondContact ND1-CD1 3.08Å
193I87.3Confident86.3Confident2 Ų233 Ų331%0.0117%0.166CC..Hα-helixtrans-63.1-50173.9-57.1170.8000110D189 L190 A195 L196 F197 L210 L213 I270 W286D189-I193 PolarHBondContact O-N 2.67Å; L190-I193 PolarHBondContact O-N 3.35Å; I193-A195 VanDerWaalsContact C-N 3.28Å; I193-A195 PolarHBondContact O-N 2.79Å; I193-L196 WeakPolarHBondContact O-CB 3.3Å; I193-L196 PolarHBondContact O-N 2.99Å; I193-L196 VanDerWaalsContact O-N 3.15Å; I193-F197 HydrophobicContact CG2-CD2 3.87Å; I193-F197 HydrophobicContact CG2-CE2 3.56Å; I193-F197 WeakPolarHBondContact O-CD2 3.46Å; I193-F197 PolarHBondContact O-N 3.09Å; I193-L210 HydrophobicContact CB-CD1 4.07Å; I193-L210 HydrophobicContact CG2-CD1 3.73Å; I193-L213 HydrophobicContact CG2-CD2 3.82Å; I193-I270 HydrophobicContact CD1-CD1 3.24Å; I193-I270 HydrophobicContact CD1-CG1 3.98Å; I193-I270 HydrophobicContact CG1-CD1 3.6Å; I193-I270 HydrophobicContact CG1-CG1 3.78Å; I193-W286 HydrophobicContact CG1-CH2 4.49Å; I193-W286 HydrophobicContact CG2-CH2 3.91Å; I193-W286 HydrophobicContact CG2-CZ2 3.91Å
194A92.2Very high87.4Confident0 Ų027.3 Ų27.30%014%0.14CC..Hα-helixtrans-60-42179.800000110.8L170 I173 L174 L190 L196 F197 L198 L210L170-A194 HydrophobicContact CD1-CB 3.46Å; L170-A194 VanDerWaalsContact CD1-CB 3.46Å; I173-A194 HydrophobicContact CG2-CB 4.08Å; L174-A194 HydrophobicContact CD2-CB 4.01Å; L190-A194 VanDerWaalsContact O-CB 3.28Å; L190-A194 WeakPolarHBondContact O-CB 3.32Å; L190-A194 PolarHBondContact O-N 2.64Å; A194-L196 PolarHBondContact O-N 3.13Å; A194-F197 PolarHBondContact O-N 2.76Å; A194-L198 VanDerWaalsContact O-CB 3.27Å; A194-L198 WeakPolarHBondContact O-CB 3.45Å; A194-L198 PolarHBondContact O-N 3.36Å; A194-L210 HydrophobicContact CB-CD2 4.27Å
195A91.4Very high88.5Confident0 Ų026.2 Ų26.20%013%0.133CC..Hα-helixtrans-62.8-39.8175.900000112.8T152 L153 F159 L170 S191 H192 I193 L198 L199T152-A195 HydrophobicContact CG2-CB 3.37Å; L153-A195 HydrophobicContact CD1-CB 3.79Å; L153-A195 HydrophobicContact CG-CB 4.32Å; F159-A195 HydrophobicContact CE1-CB 4.01Å; F159-A195 HydrophobicContact CE2-CB 4.19Å; F159-A195 HydrophobicContact CZ-CB 3.71Å; L170-A195 HydrophobicContact CD1-CB 4.12Å; L170-A195 HydrophobicContact CD2-CB 3.95Å; S191-A195 VanDerWaalsContact O-CB 3.23Å; S191-A195 WeakPolarHBondContact O-CB 3.4Å; S191-A195 PolarHBondContact O-N 2.64Å; H192-A195 PolarHBondContact O-N 3.38Å; I193-A195 VanDerWaalsContact C-N 3.28Å; I193-A195 PolarHBondContact O-N 2.79Å; A195-L198 PolarHBondContact O-N 2.86Å; A195-L199 WeakPolarHBondContact O-CG 3.44Å; A195-L199 PolarHBondContact O-N 2.98Å; A195-L199 VanDerWaalsContact O-N 3.15Å
196L90.4Very high89.5Confident7 Ų725.7 Ų25.74%0.03713%0.127CC..Hα-helixtrans-62.2-41.9175.3-76.2170.7000112.2H192 I193 A194 L199 L273 L279 T282 L283H192-L196 WeakPolarHBondContact O-CG 3.32Å; H192-L196 PolarHBondContact O-N 3.15Å; I193-L196 WeakPolarHBondContact O-CB 3.3Å; I193-L196 PolarHBondContact O-N 2.99Å; I193-L196 VanDerWaalsContact O-N 3.15Å; A194-L196 PolarHBondContact O-N 3.13Å; L196-L199 HydrophobicContact CD2-CD1 4.28Å; L196-L199 WeakPolarHBondContact O-CB 3.35Å; L196-L199 PolarHBondContact O-N 2.89Å; L196-L273 HydrophobicContact CD1-CD1 3.62Å; L196-L279 HydrophobicContact CD2-CD1 3.83Å; L196-T282 HydrophobicContact CD1-CG2 4.08Å; L196-T282 HydrophobicContact CD2-CG2 3.97Å; L196-L283 HydrophobicContact CD2-CD2 4.35Å
197F93.4Very high90.3Very high0 Ų025.1 Ų25.10%013%0.125CC..Hα-helixtrans-64.3-43.1173.3-74.7-50.6000111.7W111 L115 I193 A194 L199 Y200 L201 A206 A209 L213 W286 L290W111-F197 AromaticContact CE3-CD1 3.76Å; W111-F197 HydrophobicContact CE3-CD1 3.76Å; W111-F197 HydrophobicContact CE3-CE1 4.16Å; W111-F197 AromaticContact CZ3-CD1 3.96Å; W111-F197 HydrophobicContact CZ3-CD1 3.96Å; L115-F197 HydrophobicContact CD1-CE1 3.56Å; L115-F197 HydrophobicContact CD1-CZ 3.66Å; I193-F197 HydrophobicContact CG2-CD2 3.87Å; I193-F197 HydrophobicContact CG2-CE2 3.56Å; I193-F197 WeakPolarHBondContact O-CD2 3.46Å; I193-F197 PolarHBondContact O-N 3.09Å; A194-F197 PolarHBondContact O-N 2.76Å; F197-L199 PolarHBondContact O-N 3.19Å; F197-L199 VanDerWaalsContact O-N 3.15Å; F197-Y200 PolarHBondContact O-N 2.84Å; F197-L201 HydrophobicContact CB-CD1 4.22Å; F197-L201 HydrophobicContact CD1-CD1 4.03Å; F197-L201 HydrophobicContact CG-CD1 4.44Å; F197-L201 WeakPolarHBondContact O-CB 3.37Å; F197-L201 PolarHBondContact O-N 2.64Å; F197-A206 HydrophobicContact CB-CB 3.92Å; F197-A209 HydrophobicContact CB-CB 4.44Å; F197-A209 HydrophobicContact CD1-CB 3.84Å; F197-A209 HydrophobicContact CD2-CB 3.9Å; F197-A209 HydrophobicContact CE1-CB 3.98Å; F197-A209 HydrophobicContact CE2-CB 4.01Å; F197-A209 HydrophobicContact CG-CB 3.82Å; F197-A209 HydrophobicContact CZ-CB 4.05Å; F197-L213 HydrophobicContact CE2-CB 4.47Å; F197-L213 HydrophobicContact CE2-CD2 4.09Å; F197-L213 HydrophobicContact CZ-CB 4.47Å; F197-L213 HydrophobicContact CZ-CD2 4.2Å; F197-W286 HydrophobicContact CE1-CZ2 4.23Å; F197-W286 AromaticContact CE1-NE1 3.49Å; F197-W286 HydrophobicContact CE2-CZ2 4.07Å; F197-W286 AromaticContact CZ-CZ2 3.66Å; F197-W286 HydrophobicContact CZ-CZ2 3.66Å; F197-W286 AromaticContact CZ-NE1 3.82Å; F197-L290 HydrophobicContact CE1-CD1 4.48Å
198L94.2Very high91Very high2 Ų222.5 Ų22.51%0.0111%0.107CC..Hα-helixtrans-66.2-15.7-177.6-165.561.7000114.3F159 K166 E169 L170 I173 A194 A195 Y200 A206F159-L198 HydrophobicContact CE1-CD2 4.22Å; F159-L198 HydrophobicContact CZ-CB 4.37Å; F159-L198 HydrophobicContact CZ-CD2 4.1Å; K166-L198 HydrophobicContact CD-CD2 4.33Å; K166-L198 HydrophobicContact CD-CG 4.16Å; K166-L198 WeakPolarHBondContact O-CD2 3.37Å; E169-L198 HydrophobicContact CB-CD1 4.11Å; E169-L198 HydrophobicContact CB-CD2 3.7Å; E169-L198 HydrophobicContact CB-CG 4.43Å; E169-L198 WeakPolarHBondContact OE2-CD1 3.28Å; L170-L198 HydrophobicContact CB-CD2 3.98Å; I173-L198 HydrophobicContact CD1-CD1 3.79Å; I173-L198 HydrophobicContact CD1-CD2 4.25Å; I173-L198 HydrophobicContact CD1-CG 4.46Å; A194-L198 VanDerWaalsContact O-CB 3.27Å; A194-L198 WeakPolarHBondContact O-CB 3.45Å; A194-L198 PolarHBondContact O-N 3.36Å; A195-L198 PolarHBondContact O-N 2.86Å; L198-Y200 VanDerWaalsContact C-N 3.28Å; L198-A206 HydrophobicContact CB-CB 4.41Å; L198-A206 HydrophobicContact CD1-CB 4.1Å
199L91.1Very high91.8Very high14 Ų1415.9 Ų15.97%0.0738%0.082CC..THydrogen-bonded Turntrans-66.1-28.7169.1-70.3176.8000112.9L153 H156 F158 F159 A195 L196 F197 L279L153-L199 HydrophobicContact CD1-CD1 4.11Å; L153-L199 HydrophobicContact CD1-CG 4.42Å; H156-L199 WeakPolarHBondContact CE1-CD2 3.37Å; F158-L199 HydrophobicContact CD2-CD2 4.04Å; F159-L199 HydrophobicContact CD2-CD2 4.31Å; F159-L199 HydrophobicContact CE2-CD2 3.69Å; F159-L199 HydrophobicContact CE2-CG 4.24Å; A195-L199 WeakPolarHBondContact O-CG 3.44Å; A195-L199 PolarHBondContact O-N 2.98Å; A195-L199 VanDerWaalsContact O-N 3.15Å; L196-L199 HydrophobicContact CD2-CD1 4.28Å; L196-L199 WeakPolarHBondContact O-CB 3.35Å; L196-L199 PolarHBondContact O-N 2.89Å; F197-L199 PolarHBondContact O-N 3.19Å; F197-L199 VanDerWaalsContact O-N 3.15Å; L199-L279 HydrophobicContact CD1-CD1 4.37Å; L199-L279 HydrophobicContact CD1-CD2 4.37Å
200Y92.7Very high92.6Very high43 Ų4314.3 Ų14.317%0.1697%0.074CC..THydrogen-bonded Turntrans-125.8-13-170.6-60.6-74.9000114.6M104 R107 G108 W111 F197 L198 L283M104-Y200 HydrophobicContact CG-CE1 3.86Å; M104-Y200 HydrophobicContact SD-CE1 3.3Å; M104-Y200 WeakPolarHBondContact SD-CE1 3.33Å; M104-Y200 VanDerWaalsContact SD-CZ 3.51Å; M104-Y200 PolarHBondContact SD-OH 2.98Å; R107-Y200 HydrophobicContact CB-CD1 3.8Å; R107-Y200 HydrophobicContact CB-CE1 4.38Å; R107-Y200 HydrophobicContact CB-CG 3.89Å; G108-Y200 VanDerWaalsContact CA-O 3.3Å; G108-Y200 WeakPolarHBondContact CA-O 3.4Å; W111-Y200 HydrophobicContact CE3-CD2 4.31Å; W111-Y200 AromaticContact CH2-CD2 3.46Å; W111-Y200 HydrophobicContact CH2-CD2 3.46Å; W111-Y200 VanDerWaalsContact CH2-CD2 3.46Å; W111-Y200 AromaticContact CH2-CE2 3.9Å; W111-Y200 HydrophobicContact CH2-CE2 3.9Å; W111-Y200 HydrophobicContact CH2-CG 4.29Å; W111-Y200 HydrophobicContact CZ2-CD2 4.39Å; W111-Y200 AromaticContact CZ3-CD2 3.41Å; W111-Y200 HydrophobicContact CZ3-CD2 3.41Å; W111-Y200 VanDerWaalsContact CZ3-CD2 3.41Å; W111-Y200 HydrophobicContact CZ3-CE2 4.28Å; W111-Y200 HydrophobicContact CZ3-CG 4.05Å; F197-Y200 PolarHBondContact O-N 2.84Å; L198-Y200 VanDerWaalsContact C-N 3.28Å; Y200-L283 HydrophobicContact CD2-CD2 4.39Å; Y200-L283 HydrophobicContact CE2-CD1 4.31Å; Y200-L283 HydrophobicContact CE2-CD2 3.41Å; Y200-L283 VanDerWaalsContact CE2-CD2 3.41Å; Y200-L283 HydrophobicContact CE2-CG 4.49Å; Y200-L283 WeakPolarHBondContact OH-CD1 3.14Å
201L94.4Very high92.9Very high8 Ų814 Ų144%0.0427%0.072CC..SBendtrans-122.6149.5-177.5-61.9174.1000109.9G108 S112 I117 F197 D205 A206 A209G108-L201 WeakPolarHBondContact O-CD2 3.24Å; S112-L201 VanDerWaalsContact OG-CD2 3.29Å; S112-L201 WeakPolarHBondContact OG-CD2 3.45Å; I117-L201 HydrophobicContact CD1-CD1 3.83Å; I117-L201 HydrophobicContact CD1-CD2 4.48Å; F197-L201 HydrophobicContact CB-CD1 4.22Å; F197-L201 HydrophobicContact CD1-CD1 4.03Å; F197-L201 HydrophobicContact CG-CD1 4.44Å; F197-L201 WeakPolarHBondContact O-CB 3.37Å; F197-L201 PolarHBondContact O-N 2.64Å; L201-D205 HydrophobicContact CB-CB 4.15Å; L201-A206 HydrophobicContact CB-CB 4.15Å; L201-A209 HydrophobicContact CD1-CB 3.75Å
202P95.5Very high93Very high73 Ų7315.8 Ų15.847%0.4748%0.08SC..  trans-66.2164.8169.130.2-35.5000111.4E204 D205 A206P202-E204 PolarHBondContact O-N 3.2Å; P202-D205 WeakPolarHBondContact CD-OD2 3.35Å; P202-D205 HydrophobicContact CG-CB 3.74Å; P202-D205 VanDerWaalsContact CG-CG 3.46Å; P202-D205 WeakPolarHBondContact CG-OD2 3.2Å; P202-D205 PolarHBondContact O-N 2.87Å; P202-D205 VanDerWaalsContact O-N 3.15Å; P202-A206 WeakPolarHBondContact O-CB 3.47Å; P202-A206 PolarHBondContact O-N 3.28Å
203E96Very high93Very high34 Ų3415 Ų1516%0.1598%0.077CC..Hα-helixtrans-48-55-172.7-171-171.7111.200112.9Y128 K132 E169 H172 I173 A206 F207Y128-E203 HydrophobicContact CE1-CG 4.28Å; Y128-E203 VanDerWaalsContact CE1-OE1 3.28Å; Y128-E203 WeakPolarHBondContact CE1-OE1 3.34Å; Y128-E203 VanDerWaalsContact CZ-OE1 3.3Å; Y128-E203 VanDerWaalsContact OH-CG 3.25Å; Y128-E203 WeakPolarHBondContact OH-CG 3.48Å; Y128-E203 PolarHBondContact OH-OE1 2.75Å; K132-E203 IonicContact NZ-OE1 3.84Å; K132-E203 PolarHBondContact NZ-OE1 3.22Å; K132-E203 IonicContact NZ-OE2 3.81Å; E169-E203 HydrophobicContact CB-CB 4.4Å; E169-E203 HydrophobicContact CB-CG 4.01Å; E169-E203 HydrophobicContact CG-CB 4.19Å; E169-E203 HydrophobicContact CG-CG 4.13Å; E169-E203 WeakPolarHBondContact CG-OE2 3.33Å; H172-E203 IonicContact CE1-OE2 3.67Å; H172-E203 IonicContact CG-OE1 2.72Å; H172-E203 IonicContact CG-OE2 3.46Å; H172-E203 IonicContact ND1-OE1 2.7Å; H172-E203 IonicContact ND1-OE2 2.61Å; H172-E203 PolarHBondContact ND1-OE2 3.44Å; I173-E203 HydrophobicContact CD1-CG 4.27Å; I173-E203 WeakPolarHBondContact CD1-O 3.25Å; I173-E203 HydrophobicContact CG1-CG 4.07Å; E203-A206 PolarHBondContact O-N 2.75Å; E203-F207 PolarHBondContact O-N 3.25Å; E203-F207 VanDerWaalsContact O-N 3.15Å
204E96.6Very high92.8Very high58 Ų5815.9 Ų15.927%0.2718%0.082SC..Hα-helixtrans-67.3-39.7-178.2-177.6-176.9-163.400112.8K121 Y128 P202 A206 F207 W208K121-E204 VanDerWaalsContact CE-CD 3.45Å; K121-E204 WeakPolarHBondContact CE-OE2 3.41Å; K121-E204 IonicContact NZ-OE2 2.83Å; K121-E204 PolarHBondContact NZ-OE2 3.44Å; Y128-E204 HydrophobicContact CD1-CB 3.81Å; Y128-E204 HydrophobicContact CD1-CG 3.79Å; Y128-E204 HydrophobicContact CE1-CB 4.21Å; Y128-E204 HydrophobicContact CG-CB 4.32Å; Y128-E204 HydrophobicContact CG-CG 3.9Å; P202-E204 PolarHBondContact O-N 3.2Å; E204-A206 VanDerWaalsContact C-N 3.33Å; E204-A206 PolarHBondContact O-N 3.29Å; E204-F207 WeakPolarHBondContact O-CB 3.49Å; E204-F207 PolarHBondContact O-N 2.8Å; E204-W208 PolarHBondContact O-N 2.92Å; E204-W208 VanDerWaalsContact O-N 3.08Å
205D96.1Very high92.1Very high29 Ų2919.1 Ų19.116%0.15511%0.108CC..Hα-helixtrans-68.7-37.1-179.8-65.4-0.7000110.3I117 K121 L201 P202 F207 W208 A209I117-D205 HydrophobicContact CD1-CB 4.4Å; I117-D205 HydrophobicContact CG2-CB 3.98Å; K121-D205 VanDerWaalsContact CD-OD1 3.26Å; K121-D205 WeakPolarHBondContact CD-OD1 3.3Å; K121-D205 IonicContact NZ-OD1 2.77Å; K121-D205 PolarHBondContact NZ-OD1 3.47Å; L201-D205 HydrophobicContact CB-CB 4.15Å; P202-D205 WeakPolarHBondContact CD-OD2 3.35Å; P202-D205 HydrophobicContact CG-CB 3.74Å; P202-D205 VanDerWaalsContact CG-CG 3.46Å; P202-D205 WeakPolarHBondContact CG-OD2 3.2Å; P202-D205 PolarHBondContact O-N 2.87Å; P202-D205 VanDerWaalsContact O-N 3.15Å; D205-F207 VanDerWaalsContact C-N 3.3Å; D205-F207 PolarHBondContact O-N 3.04Å; D205-W208 PolarHBondContact O-N 2.91Å; D205-A209 WeakPolarHBondContact O-CB 3.3Å; D205-A209 PolarHBondContact O-N 3.26Å
206A96.3Very high91Very high0 Ų019.9 Ų19.90%011%0.114CC..Hα-helixtrans-63.1-36173.900000112.1I173 F197 L198 L201 P202 E203 E204 L210I173-A206 HydrophobicContact CD1-CB 3.79Å; F197-A206 HydrophobicContact CB-CB 3.92Å; L198-A206 HydrophobicContact CB-CB 4.41Å; L198-A206 HydrophobicContact CD1-CB 4.1Å; L201-A206 HydrophobicContact CB-CB 4.15Å; P202-A206 WeakPolarHBondContact O-CB 3.47Å; P202-A206 PolarHBondContact O-N 3.28Å; E203-A206 PolarHBondContact O-N 2.75Å; E204-A206 VanDerWaalsContact C-N 3.33Å; E204-A206 PolarHBondContact O-N 3.29Å; A206-L210 PolarHBondContact O-N 3.45Å
207F96.3Very high89.5Confident0 Ų028.1 Ų28.10%015%0.152CC..Hα-helixtrans-61.4-50.9171.2165.8-95.8000111.7Y128 I173 A176 Y180 E203 E204 D205 A209 L210 V211Y128-F207 HydrophobicContact CD2-CB 3.7Å; Y128-F207 AromaticContact CD2-CD1 3.46Å; Y128-F207 HydrophobicContact CD2-CD1 3.46Å; Y128-F207 VanDerWaalsContact CD2-CD1 3.46Å; Y128-F207 AromaticContact CD2-CD2 3.8Å; Y128-F207 HydrophobicContact CD2-CD2 3.8Å; Y128-F207 AromaticContact CD2-CE1 3.98Å; Y128-F207 HydrophobicContact CD2-CE1 3.98Å; Y128-F207 HydrophobicContact CD2-CE2 4.27Å; Y128-F207 AromaticContact CD2-CG 3.35Å; Y128-F207 HydrophobicContact CD2-CG 3.35Å; Y128-F207 HydrophobicContact CD2-CZ 4.36Å; Y128-F207 HydrophobicContact CE2-CB 3.67Å; Y128-F207 HydrophobicContact CE2-CD1 4.27Å; Y128-F207 AromaticContact CE2-CD2 3.94Å; Y128-F207 HydrophobicContact CE2-CD2 3.94Å; Y128-F207 AromaticContact CE2-CG 3.7Å; Y128-F207 HydrophobicContact CE2-CG 3.7Å; Y128-F207 HydrophobicContact CG-CD1 4.14Å; Y128-F207 HydrophobicContact CG-CG 4.38Å; I173-F207 HydrophobicContact CG1-CB 4.27Å; I173-F207 HydrophobicContact CG2-CB 4.13Å; I173-F207 HydrophobicContact CG2-CD2 4.47Å; A176-F207 HydrophobicContact CB-CD2 3.93Å; A176-F207 HydrophobicContact CB-CE2 3.78Å; Y180-F207 AromaticContact CD2-CZ 3.89Å; Y180-F207 HydrophobicContact CD2-CZ 3.89Å; Y180-F207 AromaticContact CG-CZ 4Å; Y180-F207 HydrophobicContact CG-CZ 4Å; E203-F207 PolarHBondContact O-N 3.25Å; E203-F207 VanDerWaalsContact O-N 3.15Å; E204-F207 WeakPolarHBondContact O-CB 3.49Å; E204-F207 PolarHBondContact O-N 2.8Å; D205-F207 VanDerWaalsContact C-N 3.3Å; D205-F207 PolarHBondContact O-N 3.04Å; F207-A209 VanDerWaalsContact C-N 3.31Å; F207-A209 PolarHBondContact O-N 3.01Å; F207-L210 WeakPolarHBondContact O-CB 3.37Å; F207-L210 PolarHBondContact O-N 3.05Å; F207-L210 VanDerWaalsContact O-N 3.15Å; F207-V211 HydrophobicContact CD1-CG2 4.44Å; F207-V211 HydrophobicContact CD2-CG2 4.41Å; F207-V211 HydrophobicContact CE1-CG2 4Å; F207-V211 HydrophobicContact CE2-CG2 3.97Å; F207-V211 HydrophobicContact CZ-CG2 3.74Å; F207-V211 WeakPolarHBondContact O-CG2 3.36Å; F207-V211 PolarHBondContact O-N 2.91Å
208W95.5Very high87.9Confident0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-66.7-32.9179-72.1115.8000113I117 M120 K121 N124 R127 Y180 E204 D205 L210 V211 Q212I117-W208 HydrophobicContact CG2-CB 3.88Å; M120-W208 HydrophobicContact CB-CD2 4.17Å; M120-W208 HydrophobicContact CB-CE3 3.93Å; M120-W208 HydrophobicContact CB-CG 4.46Å; M120-W208 HydrophobicContact CE-CE3 4Å; M120-W208 HydrophobicContact CE-CZ3 3.83Å; K121-W208 HydrophobicContact CG-CG 4.1Å; N124-W208 HydrophobicContact CB-CH2 3.34Å; N124-W208 HydrophobicContact CB-CZ2 3.51Å; N124-W208 HydrophobicContact CB-CZ3 4.37Å; R127-W208 HydrophobicContact CB-CH2 4.28Å; R127-W208 HydrophobicContact CB-CZ2 4.13Å; R127-W208 HydrophobicContact CG-CH2 4.26Å; Y180-W208 HydrophobicContact CE2-CH2 4.11Å; Y180-W208 AromaticContact CE2-CZ3 3.96Å; Y180-W208 HydrophobicContact CE2-CZ3 3.96Å; E204-W208 PolarHBondContact O-N 2.92Å; E204-W208 VanDerWaalsContact O-N 3.08Å; D205-W208 PolarHBondContact O-N 2.91Å; W208-L210 VanDerWaalsContact C-N 3.33Å; W208-V211 HydrophobicContact CE3-CB 4.26Å; W208-V211 HydrophobicContact CE3-CG1 4.25Å; W208-V211 HydrophobicContact CE3-CG2 4.49Å; W208-V211 HydrophobicContact CZ3-CG1 4.32Å; W208-V211 PolarHBondContact O-N 2.84Å; W208-Q212 WeakPolarHBondContact O-CB 3.4Å; W208-Q212 PolarHBondContact O-N 3.09Å
209A94.1Very high86.4Confident0 Ų033.6 Ų33.60%017%0.173CC..Hα-helixtrans-59.3-44.8171.300000111.4L115 I117 F197 L201 D205 F207 L213L115-A209 HydrophobicContact CD1-CB 3.68Å; I117-A209 HydrophobicContact CD1-CB 3.77Å; I117-A209 HydrophobicContact CG1-CB 4.46Å; F197-A209 HydrophobicContact CB-CB 4.44Å; F197-A209 HydrophobicContact CD1-CB 3.84Å; F197-A209 HydrophobicContact CD2-CB 3.9Å; F197-A209 HydrophobicContact CE1-CB 3.98Å; F197-A209 HydrophobicContact CE2-CB 4.01Å; F197-A209 HydrophobicContact CG-CB 3.82Å; F197-A209 HydrophobicContact CZ-CB 4.05Å; L201-A209 HydrophobicContact CD1-CB 3.75Å; D205-A209 WeakPolarHBondContact O-CB 3.3Å; D205-A209 PolarHBondContact O-N 3.26Å; F207-A209 VanDerWaalsContact C-N 3.31Å; F207-A209 PolarHBondContact O-N 3.01Å; A209-L213 VanDerWaalsContact O-CB 3.26Å; A209-L213 WeakPolarHBondContact O-CB 3.13Å; A209-L213 PolarHBondContact O-N 3Å
210L91.8Very high84.6Confident0 Ų033.9 Ų33.90%018%0.176CC..Hα-helixtrans-63.9-48176.6-176.367.8000111.5I173 Y177 L190 I193 A194 A206 F207 W208 Q212 L213 L214I173-L210 HydrophobicContact CG2-CD2 4.26Å; Y177-L210 HydrophobicContact CD2-CD2 3.84Å; Y177-L210 HydrophobicContact CD2-CG 4.15Å; Y177-L210 HydrophobicContact CE2-CD2 4.49Å; Y177-L210 HydrophobicContact CE2-CG 4.41Å; Y177-L210 HydrophobicContact CG-CD2 3.93Å; L190-L210 HydrophobicContact CD2-CD1 4.29Å; I193-L210 HydrophobicContact CB-CD1 4.07Å; I193-L210 HydrophobicContact CG2-CD1 3.73Å; A194-L210 HydrophobicContact CB-CD2 4.27Å; A206-L210 PolarHBondContact O-N 3.45Å; F207-L210 WeakPolarHBondContact O-CB 3.37Å; F207-L210 PolarHBondContact O-N 3.05Å; F207-L210 VanDerWaalsContact O-N 3.15Å; W208-L210 VanDerWaalsContact C-N 3.33Å; L210-Q212 PolarHBondContact O-N 3.1Å; L210-L213 PolarHBondContact O-N 3.25Å; L210-L214 HydrophobicContact CD1-CD1 3.93Å; L210-L214 HydrophobicContact CG-CD1 4.01Å; L210-L214 WeakPolarHBondContact O-CG 3.36Å; L210-L214 PolarHBondContact O-N 3.33Å; L210-L214 VanDerWaalsContact O-N 3.12Å
211V91.2Very high82.5Confident4 Ų432.4 Ų32.42%0.02417%0.171CC..Hα-helixtrans-58-49.4177.5169.80000110.8Y177 Y180 F207 W208 L213 L214 A215Y177-V211 HydrophobicContact CD2-CG2 4.01Å; Y177-V211 HydrophobicContact CE2-CG2 4.28Å; Y180-V211 HydrophobicContact CD1-CG1 4.13Å; Y180-V211 HydrophobicContact CD1-CG2 3.9Å; Y180-V211 HydrophobicContact CE1-CB 4.38Å; Y180-V211 HydrophobicContact CE1-CG1 3.4Å; Y180-V211 HydrophobicContact CE1-CG2 4.01Å; Y180-V211 HydrophobicContact CG-CG2 4.32Å; F207-V211 HydrophobicContact CD1-CG2 4.44Å; F207-V211 HydrophobicContact CD2-CG2 4.41Å; F207-V211 HydrophobicContact CE1-CG2 4Å; F207-V211 HydrophobicContact CE2-CG2 3.97Å; F207-V211 HydrophobicContact CZ-CG2 3.74Å; F207-V211 WeakPolarHBondContact O-CG2 3.36Å; F207-V211 PolarHBondContact O-N 2.91Å; W208-V211 HydrophobicContact CE3-CB 4.26Å; W208-V211 HydrophobicContact CE3-CG1 4.25Å; W208-V211 HydrophobicContact CE3-CG2 4.49Å; W208-V211 HydrophobicContact CZ3-CG1 4.32Å; W208-V211 PolarHBondContact O-N 2.84Å; V211-L213 VanDerWaalsContact C-N 3.35Å; V211-L213 PolarHBondContact O-N 3.46Å; V211-L214 PolarHBondContact O-N 3.34Å; V211-A215 VanDerWaalsContact O-CB 3.24Å; V211-A215 WeakPolarHBondContact O-CB 3.37Å; V211-A215 PolarHBondContact O-N 2.9Å
212Q90.4Very high79.8Confident38 Ų3839.8 Ų39.818%0.17821%0.205CC..Hα-helixtrans-64.3-41.7-179.7-17070.639.500111.3L115 M120 W208 L210 L214 A215 S216L115-Q212 HydrophobicContact CB-CB 4.36Å; L115-Q212 HydrophobicContact CB-CG 4.38Å; L115-Q212 HydrophobicContact CD2-CB 4.47Å; L115-Q212 HydrophobicContact CD2-CG 4.37Å; L115-Q212 VanDerWaalsContact O-CG 3.23Å; L115-Q212 WeakPolarHBondContact O-CG 3.37Å; M120-Q212 VanDerWaalsContact CG-OE1 3.3Å; M120-Q212 PolarHBondContact SD-OE1 3.39Å; W208-Q212 WeakPolarHBondContact O-CB 3.4Å; W208-Q212 PolarHBondContact O-N 3.09Å; L210-Q212 PolarHBondContact O-N 3.1Å; Q212-L214 VanDerWaalsContact C-N 3.25Å; Q212-L214 PolarHBondContact O-N 3.08Å; Q212-A215 PolarHBondContact O-N 3.32Å; Q212-S216 WeakPolarHBondContact O-CA 3.47Å; Q212-S216 WeakPolarHBondContact O-CB 3.49Å; Q212-S216 PolarHBondContact O-N 3.06Å
213L86.6Confident77.2Confident3 Ų338.6 Ų38.62%0.01621%0.206CC..Hα-helixtrans-58-42.4179.8-176.974.1000111.5I193 F197 A209 L210 V211 H219 W286 Y289 L290I193-L213 HydrophobicContact CG2-CD2 3.82Å; F197-L213 HydrophobicContact CE2-CB 4.47Å; F197-L213 HydrophobicContact CE2-CD2 4.09Å; F197-L213 HydrophobicContact CZ-CB 4.47Å; F197-L213 HydrophobicContact CZ-CD2 4.2Å; A209-L213 VanDerWaalsContact O-CB 3.26Å; A209-L213 WeakPolarHBondContact O-CB 3.13Å; A209-L213 PolarHBondContact O-N 3Å; L210-L213 PolarHBondContact O-N 3.25Å; V211-L213 VanDerWaalsContact C-N 3.35Å; V211-L213 PolarHBondContact O-N 3.46Å; L213-H219 HydrophobicContact CD1-CB 3.99Å; L213-W286 HydrophobicContact CD2-CH2 3.65Å; L213-W286 HydrophobicContact CD2-CZ2 3.7Å; L213-Y289 HydrophobicContact CD1-CE1 3.69Å; L213-L290 HydrophobicContact CD1-CD2 4.07Å
214L82.3Confident74.3Confident20 Ų2041 Ų4111%0.10522%0.216CC..Hα-helixtrans-81-32.8-176.4-62.5171.3000112.6Y177 L190 L210 V211 Q212 L266Y177-L214 HydrophobicContact CE1-CD1 4.19Å; Y177-L214 HydrophobicContact CE2-CD1 3.61Å; Y177-L214 WeakPolarHBondContact OH-CD1 3.48Å; L190-L214 HydrophobicContact CD2-CD1 3.63Å; L210-L214 HydrophobicContact CD1-CD1 3.93Å; L210-L214 HydrophobicContact CG-CD1 4.01Å; L210-L214 WeakPolarHBondContact O-CG 3.36Å; L210-L214 PolarHBondContact O-N 3.33Å; L210-L214 VanDerWaalsContact O-N 3.12Å; V211-L214 PolarHBondContact O-N 3.34Å; Q212-L214 VanDerWaalsContact C-N 3.25Å; Q212-L214 PolarHBondContact O-N 3.08Å; L214-L266 HydrophobicContact CD2-CD2 4.3Å
215A77.6Confident71.7Confident68 Ų6843 Ų4356%0.56223%0.225SC*.Hα-helixtrans-86.9-26.9-179.200000114.5V211 Q212 E217V211-A215 VanDerWaalsContact O-CB 3.24Å; V211-A215 WeakPolarHBondContact O-CB 3.37Å; V211-A215 PolarHBondContact O-N 2.9Å; Q212-A215 PolarHBondContact O-N 3.32Å; A215-E217 PolarHBondContact O-N 3.4Å
216S68.1Low68.5Low17 Ų1744.9 Ų44.912%0.11924%0.241CC..  trans-71.2119.2-169.8166.50000112.6Q212 R218 H219 S220Q212-S216 WeakPolarHBondContact O-CA 3.47Å; Q212-S216 WeakPolarHBondContact O-CB 3.49Å; Q212-S216 PolarHBondContact O-N 3.06Å; S216-R218 PolarHBondContact O-N 3.32Å; S216-R218 WeakPolarHBondContact OG-CB 3.17Å; S216-R218 PolarHBondContact OG-N 3.33Å; S216-H219 CarbonylContact O-C 3.45Å; S216-H219 PolarHBondContact O-N 3.03Å; S216-H219 PolarHBondContact OG-ND1 2.94Å; S216-S220 WeakPolarHBondContact O-CA 3.26Å; S216-S220 WeakPolarHBondContact O-CB 3.2Å; S216-S220 PolarHBondContact O-N 3.38Å
217E59.2Low65.5Low180 Ų18051.5 Ų51.584%0.84128%0.284SS*.THydrogen-bonded Turntrans-50.1-32.4171.9-67.2-177.6176.600114.4A215 H219A215-E217 PolarHBondContact O-N 3.4Å; E217-H219 VanDerWaalsContact C-N 3.28Å; E217-H219 PolarHBondContact O-N 3.16Å
218R59.3Low62.4Low113 Ų11357.9 Ų57.943%0.42632%0.318SS..THydrogen-bonded Turntrans-64.1-29.1176.3-174.2179.9178.6176.50.3114.3S216 V291 G293 E294S216-R218 PolarHBondContact O-N 3.32Å; S216-R218 WeakPolarHBondContact OG-CB 3.17Å; S216-R218 PolarHBondContact OG-N 3.33Å; R218-V291 PolarHBondContact NH2-O 2.98Å; R218-G293 VanDerWaalsContact O-CA 3.3Å; R218-G293 WeakPolarHBondContact O-CA 3.3Å; R218-E294 PolarHBondContact O-N 2.9Å
219H64.1Low59.4Low4 Ų461.9 Ų61.92%0.01936%0.359CS..THydrogen-bonded Turntrans-118.2-14.7-175.5-57.1102.5000112L213 S216 E217 Y289 L290L213-H219 HydrophobicContact CD1-CB 3.99Å; S216-H219 CarbonylContact O-C 3.45Å; S216-H219 PolarHBondContact O-N 3.03Å; S216-H219 PolarHBondContact OG-ND1 2.94Å; E217-H219 VanDerWaalsContact C-N 3.28Å; E217-H219 PolarHBondContact O-N 3.16Å; H219-Y289 PolarHBondContact O-OH 3.13Å; H219-L290 PolarHBondContact NE2-O 3.19Å
220S53Low56.3Low20 Ų2064.8 Ų64.814%0.1439%0.389CS..  trans-72.4139.3-178.9-172.40000109.1S216 E294S216-S220 WeakPolarHBondContact O-CA 3.26Å; S216-S220 WeakPolarHBondContact O-CB 3.2Å; S216-S220 PolarHBondContact O-N 3.38Å; S220-E294 VanDerWaalsContact O-CD 3.29Å
221L48.3Very low53.6Low11 Ų1169.1 Ų69.16%0.05842%0.416CS..  trans-87.5126.8167.2-69.1163.7000106.3G223 F224 L266 E294 L297L221-G223 PolarHBondContact O-N 2.91Å; L221-F224 HydrophobicContact CB-CD2 4.36Å; L221-F224 HydrophobicContact CD1-CD2 4.08Å; L221-F224 HydrophobicContact CD1-CE2 4.24Å; L221-F224 PolarHBondContact O-N 3.25Å; L221-L266 HydrophobicContact CD1-CB 3.54Å; L221-E294 HydrophobicContact CD2-CG 3.98Å; L221-L297 HydrophobicContact CD1-CD2 3.85Å; L221-L297 HydrophobicContact CD2-CD2 3.36Å; L221-L297 HydrophobicContact CG-CD2 3.92Å
222Q37.7Very low51Low163 Ų16373.1 Ų73.176%0.76244%0.44SS*.THydrogen-bonded Turntrans-55.10.4167.1-81-172.5-9.300114.1
223G40.8Very low48.3Very low48 Ų4877.2 Ų77.250%0.49546%0.459SS..THydrogen-bonded Turntrans-107.33.5175.700000116.4L221L221-G223 PolarHBondContact O-N 2.91Å
224F36.2Very low45.6Very low84 Ų8479.4 Ų79.437%0.36848%0.482SS..SBendtrans-89.2-17.4170.3-106.2-86.8000113.1L221 S264 L266L221-F224 HydrophobicContact CB-CD2 4.36Å; L221-F224 HydrophobicContact CD1-CD2 4.08Å; L221-F224 HydrophobicContact CD1-CE2 4.24Å; L221-F224 PolarHBondContact O-N 3.25Å; F224-S264 WeakPolarHBondContact CE2-OG 3.07Å; F224-L266 HydrophobicContact CE2-CB 4.47Å; F224-L266 HydrophobicContact CE2-CD2 4.1Å
225H41.7Very low43.3Very low101 Ų10182.9 Ų82.947%0.46850%0.5SS..SBendtrans-126.683.9-174.8-58.1-65.5000110.2
226S27.3Very low41.1Very low69 Ų6983 Ų8348%0.48349%0.489SS..  trans-154.3110.3157.7-119.40000108.8N228S226-N228 WeakPolarHBondContact CB-O 3.46Å; S226-N228 PolarHBondContact O-N 2.88Å
227P34.5Very low39.4Very low139 Ų13985.8 Ų85.890%0.90350%0.503SS*.SBendtrans-62.8-12.5166.6-19.531.9000112.7
228N31.5Very low38.1Very low134 Ų13483.7 Ų83.772%0.71749%0.493SS*.SBendtrans-112.8107.5174.6-71.6-1.3000109S226 G230S226-N228 WeakPolarHBondContact CB-O 3.46Å; S226-N228 PolarHBondContact O-N 2.88Å; N228-G230 PolarHBondContact O-N 2.9Å
229G32.8Very low36.9Very low83 Ų8382 Ų8286%0.85649%0.49SS*.  trans-64.458.8-177.700000115.8
230G28.3Very low35.4Very low62 Ų6287 Ų8764%0.63951%0.514SS*.  trans-105.8-18.3-177.600000115.6N228N228-G230 PolarHBondContact O-N 2.9Å
231T34.4Very low34.5Very low91 Ų9192.8 Ų92.856%0.55854%0.538SS*.SBendtrans-114.60.5-168.8-360000114.4Q233T231-Q233 VanDerWaalsContact C-N 3.29Å; T231-Q233 PolarHBondContact O-N 3.41Å
232V38Very low33.8Very low87 Ų8795.2 Ų95.253%0.52755%0.553SS.*Hα-helixtrans-75-19.8175.2-179.70000111.9Q236V232-Q236 VanDerWaalsContact O-CB 3.3Å; V232-Q236 WeakPolarHBondContact O-CB 3.44Å; V232-Q236 PolarHBondContact O-N 2.8Å
233Q32.7Very low33.6Very low125 Ų12590.6 Ų90.658%0.58454%0.536SS*.Hα-helixtrans-65.9-43-178.9-141.177.841.200112.7T231 L235 Q236 D237T231-Q233 VanDerWaalsContact C-N 3.29Å; T231-Q233 PolarHBondContact O-N 3.41Å; Q233-L235 PolarHBondContact O-N 3.4Å; Q233-Q236 PolarHBondContact O-N 3.12Å; Q233-D237 WeakPolarHBondContact O-CB 3.46Å; Q233-D237 PolarHBondContact O-N 2.94Å
234G29.7Very low33.1Very low48 Ų4891.5 Ų91.550%0.49554%0.538SS..Hα-helixtrans-68.8-30.4-170.600000115.6
235L35.1Very low33Very low94 Ų9492.9 Ų92.949%0.49255%0.554SS.*Hα-helixtrans-86.6-30.3176.2-130.685.2000112.1Q233 Q239 P265Q233-L235 PolarHBondContact O-N 3.4Å; L235-Q239 PolarHBondContact O-N 2.76Å; L235-P265 HydrophobicContact CD2-CG 4.36Å
236Q30.9Very low32.6Very low70 Ų7090.6 Ų90.633%0.32755%0.549SS..Hα-helixtrans-64.8-44.8172.9-166.88819.200110.5V232 Q233 Q238 Q239 E240V232-Q236 VanDerWaalsContact O-CB 3.3Å; V232-Q236 WeakPolarHBondContact O-CB 3.44Å; V232-Q236 PolarHBondContact O-N 2.8Å; Q233-Q236 PolarHBondContact O-N 3.12Å; Q236-Q238 PolarHBondContact O-N 3.47Å; Q236-Q239 WeakPolarHBondContact O-CB 3.41Å; Q236-Q239 PolarHBondContact O-N 2.72Å; Q236-Q239 VanDerWaalsContact O-N 3.12Å; Q236-E240 PolarHBondContact O-N 3.13Å
237D31.9Very low32.8Very low75 Ų7593.7 Ų93.740%0.40156%0.556SS.*Hα-helixtrans-66.1-38.2-179.4-65-19.4000111.8Q233 Q239 H241Q233-D237 WeakPolarHBondContact O-CB 3.46Å; Q233-D237 PolarHBondContact O-N 2.94Å; D237-Q239 VanDerWaalsContact C-N 3.35Å; D237-H241 WeakPolarHBondContact O-CB 3.32Å; D237-H241 PolarHBondContact O-N 3.14Å
238Q31.8Very low32.5Very low136 Ų13692.5 Ų92.564%0.63655%0.548SS*.Hα-helixtrans-64.3-37.6172.5-84.5-87.5-54.600112.2Q236 V242Q236-Q238 PolarHBondContact O-N 3.47Å; Q238-V242 WeakPolarHBondContact O-CB 3.34Å; Q238-V242 WeakPolarHBondContact O-CG2 3.18Å; Q238-V242 PolarHBondContact O-N 3.09Å; Q238-V242 VanDerWaalsContact O-N 3.1Å
239Q34.3Very low32.4Very low79 Ų7995.8 Ų95.837%0.36956%0.556SS.*Hα-helixtrans-71.4-44.2179.6-173.475.2-10.700111.3L235 Q236 D237 V242 V243L235-Q239 PolarHBondContact O-N 2.76Å; Q236-Q239 WeakPolarHBondContact O-CB 3.41Å; Q236-Q239 PolarHBondContact O-N 2.72Å; Q236-Q239 VanDerWaalsContact O-N 3.12Å; D237-Q239 VanDerWaalsContact C-N 3.35Å; Q239-V242 PolarHBondContact O-N 3.08Å; Q239-V243 VanDerWaalsContact O-CB 3.3Å; Q239-V243 WeakPolarHBondContact O-CB 3.48Å; Q239-V243 WeakPolarHBondContact O-CG2 3.36Å; Q239-V243 PolarHBondContact O-N 3.15Å
240E33.1Very low32.5Very low109 Ų10996.4 Ų96.451%0.50954%0.544SS..Hα-helixtrans-67.2-41.4178.1-73.6-174.5-178.900111.8Q236 A244Q236-E240 PolarHBondContact O-N 3.13Å; E240-A244 WeakPolarHBondContact O-CB 3.07Å; E240-A244 PolarHBondContact O-N 2.91Å
241H33.3Very low32.5Very low141 Ų141101.7 Ų101.765%0.65355%0.554SS**Hα-helixtrans-64.9-41.7175.1-113.4-83000112.6D237 T245D237-H241 WeakPolarHBondContact O-CB 3.32Å; D237-H241 PolarHBondContact O-N 3.14Å; H241-T245 VanDerWaalsContact O-CB 3.31Å; H241-T245 WeakPolarHBondContact O-CB 3.38Å; H241-T245 PolarHBondContact O-N 3.48Å; H241-T245 PolarHBondContact O-OG1 2.86Å
242V34.2Very low32.1Very low61 Ų61100.6 Ų100.637%0.3756%0.56SS.*Hα-helixtrans-73.7-31.7-178.5173.20000112.1Q238 Q239 S246Q238-V242 WeakPolarHBondContact O-CB 3.34Å; Q238-V242 WeakPolarHBondContact O-CG2 3.18Å; Q238-V242 PolarHBondContact O-N 3.09Å; Q238-V242 VanDerWaalsContact O-N 3.1Å; Q239-V242 PolarHBondContact O-N 3.08Å; V242-S246 PolarHBondContact O-N 3.08Å; V242-S246 PolarHBondContact O-OG 3.02Å
243V33.8Very low31.8Very low66 Ų66105.4 Ų105.440%0.458%0.577SS.*Hα-helixtrans-74.7-44.5174.71720000110.7Q239 T245 S246 Q247Q239-V243 VanDerWaalsContact O-CB 3.3Å; Q239-V243 WeakPolarHBondContact O-CB 3.48Å; Q239-V243 WeakPolarHBondContact O-CG2 3.36Å; Q239-V243 PolarHBondContact O-N 3.15Å; V243-T245 VanDerWaalsContact C-N 3.32Å; V243-T245 PolarHBondContact O-N 3.19Å; V243-S246 PolarHBondContact O-N 2.93Å; V243-Q247 PolarHBondContact O-N 3.4Å
244A29.5Very low31.5Very low67 Ų67107.5 Ų107.555%0.55459%0.586SS**Hα-helixtrans-62.6-36.8176.400000112.7E240 S246E240-A244 WeakPolarHBondContact O-CB 3.07Å; E240-A244 PolarHBondContact O-N 2.91Å; A244-S246 VanDerWaalsContact C-N 3.32Å; A244-S246 PolarHBondContact O-N 3.11Å
245T34.4Very low31.4Very low113 Ų113111.7 Ų111.769%0.69360%0.597SS**Hα-helixtrans-75.6-18-179.5-47.50000113H241 V243H241-T245 VanDerWaalsContact O-CB 3.31Å; H241-T245 WeakPolarHBondContact O-CB 3.38Å; H241-T245 PolarHBondContact O-N 3.48Å; H241-T245 PolarHBondContact O-OG1 2.86Å; V243-T245 VanDerWaalsContact C-N 3.32Å; V243-T245 PolarHBondContact O-N 3.19Å
246S32.7Very low31Very low53 Ų53117.2 Ų117.237%0.37162%0.618SS.*Hα-helixtrans-106.6-13.4-171.761.70000117V242 V243 A244V242-S246 PolarHBondContact O-N 3.08Å; V242-S246 PolarHBondContact O-OG 3.02Å; V243-S246 PolarHBondContact O-N 2.93Å; A244-S246 VanDerWaalsContact C-N 3.32Å; A244-S246 PolarHBondContact O-N 3.11Å
247Q31.5Very low30.9Very low135 Ų135122.7 Ų122.763%0.63164%0.64SS**  trans-161.993.9173.4-65.5-74.7-80.200111.9V243 K249V243-Q247 PolarHBondContact O-N 3.4Å; Q247-K249 PolarHBondContact O-N 3.17Å
248P28Very low30.8Very low113 Ų113126.5 Ų126.573%0.73466%0.661SS**THydrogen-bonded Turntrans-78.5-12.3-178.9-1429000115.2
249K29.3Very low31Very low204 Ų204125.9 Ų125.989%0.88766%0.661SS**THydrogen-bonded Turntrans-104.19.7-160-71-172.6176.8-178.70116.7Q247Q247-K249 PolarHBondContact O-N 3.17Å
250T35.6Very low31.1Very low96 Ų96128 Ų12859%0.58968%0.683SS**SBendtrans-128.713.5-175-280000114.6
251M28Very low30.9Very low173 Ų173125.6 Ų125.685%0.85269%0.688SS**  trans-106.331.1-174.3-144.4165-153.400113.1
252G25.9Very low30.9Very low67 Ų67128.2 Ų128.269%0.69170%0.7SS**SBendtrans-99.3-14.2-176.100000116
253H32.3Very low31.2Very low188 Ų188128 Ų12887%0.8770%0.701SS**SBendtrans-149.743.2-161.9-100.756.7000114.7
254Q27.2Very low32Very low169 Ų169126.6 Ų126.679%0.7969%0.694SS**SBendtrans-129121.3162.9-152.578.552.400109K256Q254-K256 PolarHBondContact O-N 2.96Å
255D26.4Very low33Very low136 Ų136124.8 Ų124.873%0.72768%0.677SS**  trans-44.4131.3-172.1-75.6-57.6000114.9K257D255-K257 PolarHBondContact O-N 2.95Å
256K27.6Very low33.9Very low211 Ų211119.9 Ų119.992%0.91765%0.646SS**THydrogen-bonded Turntrans-6922.7-178.1-119.2175.5-179.1178.90114.4Q254Q254-K256 PolarHBondContact O-N 2.96Å
257K28.5Very low35Very low184 Ų184117.5 Ų117.580%0.863%0.63SS**THydrogen-bonded Turntrans-126.6-8.6-168.4-81.9-168.9175.3-176.90119.7D255D255-K257 PolarHBondContact O-N 2.95Å
258D29.2Very low36.1Very low156 Ų156113 Ų11383%0.83461%0.613SS**SBendtrans-139.73175.4-75.2-51000115.4
259L35.5Very low37.5Very low122 Ų122107.8 Ų107.864%0.63958%0.579SS**SBendtrans-133.4117.4-175.9-78.3129000109.2
260C36.5Very low39Very low123 Ų12398.3 Ų98.383%0.83154%0.538SS*.SBendtrans108.2102168.2-152.60000113.8
261G28.8Very low40.1Very low59 Ų5998.5 Ų98.561%0.60853%0.528SS*.SBendtrans-178-38.6167.500000113.9
262Q34.8Very low41.4Very low197 Ų19791 Ų9192%0.92149%0.491SS*.  trans-148.932.3-166.4-60.9-166.653.600116.1
263C39.9Very low42.8Very low57 Ų5788.8 Ų88.839%0.38546%0.463SS..  trans-98.3113.7173.4-800000111.4C268 R271C263-C268 VanDerWaalsContact CB-SG 3.6Å; C263-R271 PolarHBondContact SG-NH2 3.21Å
264S50.4Low43.8Very low35 Ų3582.1 Ų82.125%0.24543%0.433CS..  trans-56.8152.8166.768.90000110.2F224 L266 G267 C268F224-S264 WeakPolarHBondContact CE2-OG 3.07Å; S264-L266 PolarHBondContact O-N 3.23Å; S264-L266 VanDerWaalsContact O-N 3.09Å; S264-G267 CarbonylContact O-C 3.53Å; S264-G267 WeakPolarHBondContact O-CA 3.46Å; S264-G267 PolarHBondContact O-N 3.38Å; S264-G267 PolarHBondContact OG-N 3.32Å; S264-C268 PolarHBondContact O-N 2.95Å
265P50.1Low45.1Very low30 Ų3079.3 Ų79.320%0.19542%0.424CS..Hα-helixtrans-56-27.6176.8-27.935.7000114L235 L269 L297 M298 T301L235-P265 HydrophobicContact CD2-CG 4.36Å; P265-L269 WeakPolarHBondContact O-CB 3.44Å; P265-L269 PolarHBondContact O-N 3.24Å; P265-L297 HydrophobicContact CB-CD2 3.73Å; P265-L297 HydrophobicContact CB-CG 4.06Å; P265-M298 HydrophobicContact CB-SD 3.61Å; P265-M298 HydrophobicContact CG-SD 3.64Å; P265-T301 PolarHBondContact O-OG1 3.09Å
266L54.7Low46.4Very low9 Ų973.8 Ų73.85%0.04740%0.399CS..Hα-helixtrans-73-44.2171.4-178.367000111.3L214 L221 F224 S264 C268 L269 I270 Y289 L297L214-L266 HydrophobicContact CD2-CD2 4.3Å; L221-L266 HydrophobicContact CD1-CB 3.54Å; F224-L266 HydrophobicContact CE2-CB 4.47Å; F224-L266 HydrophobicContact CE2-CD2 4.1Å; S264-L266 PolarHBondContact O-N 3.23Å; S264-L266 VanDerWaalsContact O-N 3.09Å; L266-C268 VanDerWaalsContact C-N 3.27Å; L266-C268 PolarHBondContact O-N 2.91Å; L266-L269 HydrophobicContact CD1-CD2 4.16Å; L266-L269 WeakPolarHBondContact O-CB 3.24Å; L266-L269 PolarHBondContact O-N 2.7Å; L266-L269 VanDerWaalsContact O-N 3.12Å; L266-I270 HydrophobicContact CD1-CD1 4.17Å; L266-I270 HydrophobicContact CD1-CG1 4.42Å; L266-I270 HydrophobicContact CD2-CD1 4.43Å; L266-I270 HydrophobicContact CG-CD1 3.73Å; L266-I270 HydrophobicContact CG-CG1 4.43Å; L266-I270 WeakPolarHBondContact O-CB 3.47Å; L266-I270 WeakPolarHBondContact O-CD1 3.3Å; L266-I270 WeakPolarHBondContact O-CG1 3.37Å; L266-I270 PolarHBondContact O-N 3.11Å; L266-Y289 HydrophobicContact CD1-CE1 4.48Å; L266-L297 HydrophobicContact CB-CD2 4.31Å; L266-L297 HydrophobicContact CD1-CD1 4.39Å
267G55.8Low48.1Very low3 Ų364.6 Ų64.63%0.03136%0.36CS..Hα-helixtrans-59.5-36.6170.900000112.6D189 S264 R271D189-G267 WeakPolarHBondContact OD2-CA 3.3Å; S264-G267 CarbonylContact O-C 3.53Å; S264-G267 WeakPolarHBondContact O-CA 3.46Å; S264-G267 PolarHBondContact O-N 3.38Å; S264-G267 PolarHBondContact OG-N 3.32Å; G267-R271 VanDerWaalsContact O-CB 3.24Å; G267-R271 WeakPolarHBondContact O-CB 3.49Å; G267-R271 PolarHBondContact O-N 3.02Å
268C54.6Low50.4Low42 Ų4258 Ų5828%0.28434%0.337SS..Hα-helixtrans-67.8-43.5170.4-72.90000112.5C263 S264 L266 I270 R271 I272 T301C263-C268 VanDerWaalsContact CB-SG 3.6Å; S264-C268 PolarHBondContact O-N 2.95Å; L266-C268 VanDerWaalsContact C-N 3.27Å; L266-C268 PolarHBondContact O-N 2.91Å; C268-I270 VanDerWaalsContact C-N 3.33Å; C268-I270 PolarHBondContact O-N 2.91Å; C268-R271 PolarHBondContact O-N 2.83Å; C268-I272 WeakPolarHBondContact O-CB 3.39Å; C268-I272 VanDerWaalsContact O-CD1 3.24Å; C268-I272 WeakPolarHBondContact O-CD1 3.38Å; C268-I272 WeakPolarHBondContact O-CG1 3.49Å; C268-I272 PolarHBondContact O-N 2.91Å; C268-T301 HydrophobicContact CB-CG2 3.67Å
269L57.5Low52.8Low3 Ų351.5 Ų51.52%0.01630%0.302CS..Hα-helixtrans-55.4-53173.6179.776.9000109.5P265 L266 I272 L273 W286 L297 I300P265-L269 WeakPolarHBondContact O-CB 3.44Å; P265-L269 PolarHBondContact O-N 3.24Å; L266-L269 HydrophobicContact CD1-CD2 4.16Å; L266-L269 WeakPolarHBondContact O-CB 3.24Å; L266-L269 PolarHBondContact O-N 2.7Å; L266-L269 VanDerWaalsContact O-N 3.12Å; L269-I272 CarbonylContact O-C 3.57Å; L269-I272 WeakPolarHBondContact O-CA 3.45Å; L269-I272 WeakPolarHBondContact O-CB 3.35Å; L269-I272 PolarHBondContact O-N 2.63Å; L269-L273 HydrophobicContact CG-CG 4.49Å; L269-L273 VanDerWaalsContact O-CG 3.32Å; L269-L273 WeakPolarHBondContact O-CG 3.47Å; L269-L273 PolarHBondContact O-N 2.87Å; L269-W286 HydrophobicContact CD2-CE3 4.21Å; L269-W286 HydrophobicContact CD2-CZ3 3.84Å; L269-L297 HydrophobicContact CB-CD1 3.97Å; L269-L297 HydrophobicContact CD2-CD1 3.73Å; L269-L297 HydrophobicContact CG-CD1 4.31Å; L269-I300 HydrophobicContact CD1-CB 4.2Å; L269-I300 HydrophobicContact CD1-CG2 3.22Å
270I59.8Low55.1Low5 Ų546 Ų463%0.02628%0.275CS..Hα-helixtrans-58.8-51.3-179.6-66.3160.7000110.3D189 H192 I193 L266 C268 I272 L273 I274D189-I270 HydrophobicContact CB-CB 4.34Å; D189-I270 HydrophobicContact CB-CD1 3.9Å; D189-I270 HydrophobicContact CB-CG2 3.72Å; H192-I270 HydrophobicContact CB-CG2 4.38Å; I193-I270 HydrophobicContact CD1-CD1 3.24Å; I193-I270 HydrophobicContact CD1-CG1 3.98Å; I193-I270 HydrophobicContact CG1-CD1 3.6Å; I193-I270 HydrophobicContact CG1-CG1 3.78Å; L266-I270 HydrophobicContact CD1-CD1 4.17Å; L266-I270 HydrophobicContact CD1-CG1 4.42Å; L266-I270 HydrophobicContact CD2-CD1 4.43Å; L266-I270 HydrophobicContact CG-CD1 3.73Å; L266-I270 HydrophobicContact CG-CG1 4.43Å; L266-I270 WeakPolarHBondContact O-CB 3.47Å; L266-I270 WeakPolarHBondContact O-CD1 3.3Å; L266-I270 WeakPolarHBondContact O-CG1 3.37Å; L266-I270 PolarHBondContact O-N 3.11Å; C268-I270 VanDerWaalsContact C-N 3.33Å; C268-I270 PolarHBondContact O-N 2.91Å; I270-I272 PolarHBondContact O-N 3.38Å; I270-I272 VanDerWaalsContact O-N 3.13Å; I270-L273 CarbonylContact O-C 3.56Å; I270-L273 WeakPolarHBondContact O-CA 3.47Å; I270-L273 WeakPolarHBondContact O-CB 3.32Å; I270-L273 PolarHBondContact O-N 3.23Å; I270-I274 HydrophobicContact CG2-CD1 3.47Å; I270-I274 VanDerWaalsContact CG2-CD1 3.47Å; I270-I274 HydrophobicContact CG2-CG1 4.15Å; I270-I274 WeakPolarHBondContact O-CG1 3.24Å; I270-I274 PolarHBondContact O-N 2.92Å
271R58.6Low57.2Low99 Ų9940.6 Ų40.637%0.37424%0.238SC..Hα-helixtrans-51.5-40.1173.6-167.1100.171.688.80.7112.3C263 G267 C268 I274 D275C263-R271 PolarHBondContact SG-NH2 3.21Å; G267-R271 VanDerWaalsContact O-CB 3.24Å; G267-R271 WeakPolarHBondContact O-CB 3.49Å; G267-R271 PolarHBondContact O-N 3.02Å; C268-R271 PolarHBondContact O-N 2.83Å; R271-I274 PolarHBondContact O-N 3.31Å; R271-D275 WeakPolarHBondContact O-CB 3.48Å; R271-D275 PolarHBondContact O-N 3.15Å
272I55.3Low59.9Low16 Ų1638 Ų388%0.08221%0.21CC..Hα-helixtrans-74.1-31.2179.1-60.4160.1000112.2C268 L269 I270 I274 I277 T301 A304 Q308C268-I272 WeakPolarHBondContact O-CB 3.39Å; C268-I272 VanDerWaalsContact O-CD1 3.24Å; C268-I272 WeakPolarHBondContact O-CD1 3.38Å; C268-I272 WeakPolarHBondContact O-CG1 3.49Å; C268-I272 PolarHBondContact O-N 2.91Å; L269-I272 CarbonylContact O-C 3.57Å; L269-I272 WeakPolarHBondContact O-CA 3.45Å; L269-I272 WeakPolarHBondContact O-CB 3.35Å; L269-I272 PolarHBondContact O-N 2.63Å; I270-I272 PolarHBondContact O-N 3.38Å; I270-I272 VanDerWaalsContact O-N 3.13Å; I272-I274 VanDerWaalsContact C-N 3.27Å; I272-I277 HydrophobicContact CG2-CD1 3.33Å; I272-I277 HydrophobicContact CG2-CG1 3.73Å; I272-T301 HydrophobicContact CD1-CG2 4.3Å; I272-A304 HydrophobicContact CB-CB 4.16Å; I272-A304 HydrophobicContact CD1-CB 3.67Å; I272-A304 HydrophobicContact CG1-CB 4.41Å; I272-A304 HydrophobicContact CG2-CB 3.48Å; I272-A304 VanDerWaalsContact CG2-CB 3.48Å; I272-Q308 HydrophobicContact CG1-CG 4.44Å; I272-Q308 HydrophobicContact CG2-CG 3.99Å
273L54.5Low62.4Low21 Ų2128.6 Ų28.611%0.1117%0.166CC..Hα-helixtrans-66.5-31.1169.6-56.9-172.5000111.7L196 L269 I270 T282 W286L196-L273 HydrophobicContact CD1-CD1 3.62Å; L269-L273 HydrophobicContact CG-CG 4.49Å; L269-L273 VanDerWaalsContact O-CG 3.32Å; L269-L273 WeakPolarHBondContact O-CG 3.47Å; L269-L273 PolarHBondContact O-N 2.87Å; I270-L273 CarbonylContact O-C 3.56Å; I270-L273 WeakPolarHBondContact O-CA 3.47Å; I270-L273 WeakPolarHBondContact O-CB 3.32Å; I270-L273 PolarHBondContact O-N 3.23Å; L273-T282 HydrophobicContact CB-CG2 3.9Å; L273-T282 HydrophobicContact CD1-CG2 3.88Å; L273-T282 HydrophobicContact CD2-CG2 3.44Å; L273-T282 VanDerWaalsContact CD2-CG2 3.44Å; L273-T282 HydrophobicContact CG-CG2 3.87Å; L273-W286 HydrophobicContact CD1-CE3 3.9Å; L273-W286 HydrophobicContact CD1-CZ3 4.05Å
274I54.7Low64.7Low47 Ų4726.3 Ų26.324%0.24115%0.15CC..Hα-helixtrans-81.7-50.2-176.8-62.1171.6000112.1H192 I270 R271 I272H192-I274 HydrophobicContact CB-CD1 3.77Å; H192-I274 HydrophobicContact CB-CG1 3.76Å; H192-I274 WeakPolarHBondContact CD2-CG1 3.38Å; H192-I274 VanDerWaalsContact ND1-CD1 3.3Å; H192-I274 WeakPolarHBondContact ND1-CD1 3.08Å; I270-I274 HydrophobicContact CG2-CD1 3.47Å; I270-I274 VanDerWaalsContact CG2-CD1 3.47Å; I270-I274 HydrophobicContact CG2-CG1 4.15Å; I270-I274 WeakPolarHBondContact O-CG1 3.24Å; I270-I274 PolarHBondContact O-N 2.92Å; R271-I274 PolarHBondContact O-N 3.31Å; I272-I274 VanDerWaalsContact C-N 3.27Å
275D53.5Low66.5Low111 Ų11124.8 Ų24.859%0.59414%0.138SC*.Hα-helixtrans-103.6-1.7-157.7-73.4-33.5000115.7R271R271-D275 WeakPolarHBondContact O-CB 3.48Å; R271-D275 PolarHBondContact O-N 3.15Å
276G55.1Low68.4Low20 Ų2023.4 Ų23.421%0.20613%0.129CC..SBendtrans176.824.2176.400000121Q308 R311G276-Q308 VanDerWaalsContact CA-NE2 3.27Å; G276-Q308 PolarHBondContact O-NE2 3.32Å; G276-R311 PolarHBondContact O-NE 2.92Å; G276-R311 PolarHBondContact O-NH1 3.09Å
277I62Low70.1Confident17 Ų1723 Ų239%0.08713%0.127CC..SBendtrans-114.5153.7170-61-166000109.5I272 L281 A304 V307 Q308I272-I277 HydrophobicContact CG2-CD1 3.33Å; I272-I277 HydrophobicContact CG2-CG1 3.73Å; I277-L281 HydrophobicContact CG2-CB 3.59Å; I277-L281 HydrophobicContact CG2-CD2 3.56Å; I277-L281 HydrophobicContact CG2-CG 3.7Å; I277-A304 HydrophobicContact CD1-CB 4.01Å; I277-V307 HydrophobicContact CD1-CB 4.35Å; I277-V307 HydrophobicContact CD1-CG1 4.18Å; I277-V307 HydrophobicContact CG1-CG1 4.32Å; I277-Q308 VanDerWaalsContact CG1-NE2 3.32Å
278S77.2Confident71.9Confident46 Ų4622.9 Ų22.932%0.32213%0.126SC..  trans-61.6142.3172.752.90000110.3G280 L281 T282S278-G280 PolarHBondContact O-N 3.49Å; S278-G280 VanDerWaalsContact O-N 3.13Å; S278-L281 PolarHBondContact O-N 2.79Å; S278-L281 VanDerWaalsContact O-N 3.1Å; S278-T282 PolarHBondContact O-N 2.9Å; S278-T282 PolarHBondContact O-OG1 3.12Å
279L79.9Confident73.5Confident20 Ų2020.9 Ų20.911%0.10511%0.112CC..Hα-helixtrans-53.8-34.9175.8-179.759.4000111.6L49 I51 L196 L199 T282 L283L49-L279 HydrophobicContact CB-CD2 4.28Å; L49-L279 HydrophobicContact CD1-CB 4.21Å; I51-L279 HydrophobicContact CD1-CB 4.34Å; I51-L279 HydrophobicContact CD1-CD2 3.78Å; I51-L279 HydrophobicContact CG1-CD2 4.4Å; L196-L279 HydrophobicContact CD2-CD1 3.83Å; L199-L279 HydrophobicContact CD1-CD1 4.37Å; L199-L279 HydrophobicContact CD1-CD2 4.37Å; L279-T282 HydrophobicContact CD1-CG2 4.41Å; L279-T282 WeakPolarHBondContact O-CB 3.48Å; L279-T282 PolarHBondContact O-N 3.42Å; L279-L283 HydrophobicContact CD1-CD1 4.27Å; L279-L283 HydrophobicContact CD1-CD2 4.48Å; L279-L283 HydrophobicContact CD1-CG 4.11Å; L279-L283 HydrophobicContact CG-CD1 3.99Å; L279-L283 HydrophobicContact CG-CG 4.33Å; L279-L283 WeakPolarHBondContact O-CG 3.37Å; L279-L283 PolarHBondContact O-N 2.98Å
280G82.6Confident75.1Confident7 Ų720.8 Ų20.87%0.07211%0.112CC..Hα-helixtrans-58.2-50.5176.500000112.9L49 S278 L283 R284L49-G280 VanDerWaalsContact CD1-N 3.26Å; S278-G280 PolarHBondContact O-N 3.49Å; S278-G280 VanDerWaalsContact O-N 3.13Å; G280-L283 PolarHBondContact O-N 3.47Å; G280-R284 WeakPolarHBondContact O-CG 3.45Å; G280-R284 PolarHBondContact O-N 2.82Å; G280-R284 VanDerWaalsContact O-N 3.15Å
281L82.4Confident76.6Confident9 Ų920.7 Ų20.75%0.04711%0.112CC..Hα-helixtrans-68.7-38.6177.9178.358.3000111.5I277 S278 L283 R284 L285 E336 V339 L340I277-L281 HydrophobicContact CG2-CB 3.59Å; I277-L281 HydrophobicContact CG2-CD2 3.56Å; I277-L281 HydrophobicContact CG2-CG 3.7Å; S278-L281 PolarHBondContact O-N 2.79Å; S278-L281 VanDerWaalsContact O-N 3.1Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L283 PolarHBondContact O-N 3.04Å; L281-R284 PolarHBondContact O-N 3.03Å; L281-L285 HydrophobicContact CD1-CD1 4.14Å; L281-L285 HydrophobicContact CD1-CD2 4.32Å; L281-L285 HydrophobicContact CD1-CG 3.93Å; L281-L285 HydrophobicContact CG-CD1 3.98Å; L281-L285 HydrophobicContact CG-CG 4.25Å; L281-L285 VanDerWaalsContact O-CG 3.3Å; L281-L285 WeakPolarHBondContact O-CG 3.24Å; L281-L285 PolarHBondContact O-N 3.03Å; L281-E336 HydrophobicContact CB-CG 4.24Å; L281-E336 HydrophobicContact CD1-CB 4.49Å; L281-E336 PolarHBondContact N-OE1 3.08Å; L281-V339 HydrophobicContact CD1-CB 4.29Å; L281-V339 HydrophobicContact CD1-CG1 4.01Å; L281-V339 HydrophobicContact CD2-CG1 4.23Å; L281-V339 HydrophobicContact CD2-CG2 4.37Å; L281-L340 HydrophobicContact CD1-CD1 3.75Å
282T84.1Confident78Confident3 Ų317.4 Ų17.42%0.01810%0.1CC..Hα-helixtrans-50.9-53.3172.2-700000111.2L196 L273 S278 L279 R284 L285 W286L196-T282 HydrophobicContact CD1-CG2 4.08Å; L196-T282 HydrophobicContact CD2-CG2 3.97Å; L273-T282 HydrophobicContact CB-CG2 3.9Å; L273-T282 HydrophobicContact CD1-CG2 3.88Å; L273-T282 HydrophobicContact CD2-CG2 3.44Å; L273-T282 VanDerWaalsContact CD2-CG2 3.44Å; L273-T282 HydrophobicContact CG-CG2 3.87Å; S278-T282 PolarHBondContact O-N 2.9Å; S278-T282 PolarHBondContact O-OG1 3.12Å; L279-T282 HydrophobicContact CD1-CG2 4.41Å; L279-T282 WeakPolarHBondContact O-CB 3.48Å; L279-T282 PolarHBondContact O-N 3.42Å; T282-R284 VanDerWaalsContact C-N 3.33Å; T282-R284 PolarHBondContact O-N 3.03Å; T282-L285 PolarHBondContact O-N 2.84Å; T282-W286 WeakPolarHBondContact O-CB 3.48Å; T282-W286 PolarHBondContact O-N 2.9Å
283L87.6Confident79.5Confident1 Ų116.7 Ų16.71%0.00510%0.097CC..Hα-helixtrans-62.5-39.5-179.1-67.6166.5000112.4W111 L196 Y200 L279 G280 L281 W286 D287W111-L283 HydrophobicContact CH2-CD2 3.96Å; W111-L283 HydrophobicContact CZ2-CD2 4.39Å; L196-L283 HydrophobicContact CD2-CD2 4.35Å; Y200-L283 HydrophobicContact CD2-CD2 4.39Å; Y200-L283 HydrophobicContact CE2-CD1 4.31Å; Y200-L283 HydrophobicContact CE2-CD2 3.41Å; Y200-L283 VanDerWaalsContact CE2-CD2 3.41Å; Y200-L283 HydrophobicContact CE2-CG 4.49Å; Y200-L283 WeakPolarHBondContact OH-CD1 3.14Å; L279-L283 HydrophobicContact CD1-CD1 4.27Å; L279-L283 HydrophobicContact CD1-CD2 4.48Å; L279-L283 HydrophobicContact CD1-CG 4.11Å; L279-L283 HydrophobicContact CG-CD1 3.99Å; L279-L283 HydrophobicContact CG-CG 4.33Å; L279-L283 WeakPolarHBondContact O-CG 3.37Å; L279-L283 PolarHBondContact O-N 2.98Å; G280-L283 PolarHBondContact O-N 3.47Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L283 PolarHBondContact O-N 3.04Å; L283-W286 WeakPolarHBondContact O-CB 3.35Å; L283-W286 PolarHBondContact O-N 3.37Å; L283-D287 PolarHBondContact O-N 3.19Å
284R89.3Confident80.7Confident9 Ų919.2 Ų19.23%0.03411%0.108CC..Hα-helixtrans-73-33.8179.8-63.1-178.369179.70.3113.3K100 G280 L281 T282 W286 V288 E336 D337 L340K100-R284 PolarHBondContact O-NH2 2.72Å; G280-R284 WeakPolarHBondContact O-CG 3.45Å; G280-R284 PolarHBondContact O-N 2.82Å; G280-R284 VanDerWaalsContact O-N 3.15Å; L281-R284 PolarHBondContact O-N 3.03Å; T282-R284 VanDerWaalsContact C-N 3.33Å; T282-R284 PolarHBondContact O-N 3.03Å; R284-W286 VanDerWaalsContact C-N 3.31Å; R284-V288 WeakPolarHBondContact O-CG2 3.4Å; R284-V288 PolarHBondContact O-N 3.04Å; R284-E336 WeakPolarHBondContact CD-OE2 3.44Å; R284-E336 IonicContact NH1-OE2 3.98Å; R284-D337 IonicContact CZ-OD1 3.54Å; R284-D337 VanDerWaalsContact CZ-OD1 3.24Å; R284-D337 IonicContact NH1-OD1 3.62Å; R284-D337 PolarHBondContact NH1-OD1 2.93Å; R284-D337 IonicContact NH2-OD1 2.8Å; R284-D337 PolarHBondContact NH2-OD1 3.4Å; R284-L340 HydrophobicContact CB-CD2 3.89Å
285L87.5Confident82.1Confident2 Ų220.8 Ų20.81%0.0112%0.115CC..Hα-helixtrans-66.8-38.6171.4-67.6174000110.3L281 T282 V288 Y289 I300 L340 L343L281-L285 HydrophobicContact CD1-CD1 4.14Å; L281-L285 HydrophobicContact CD1-CD2 4.32Å; L281-L285 HydrophobicContact CD1-CG 3.93Å; L281-L285 HydrophobicContact CG-CD1 3.98Å; L281-L285 HydrophobicContact CG-CG 4.25Å; L281-L285 VanDerWaalsContact O-CG 3.3Å; L281-L285 WeakPolarHBondContact O-CG 3.24Å; L281-L285 PolarHBondContact O-N 3.03Å; T282-L285 PolarHBondContact O-N 2.84Å; L285-V288 PolarHBondContact O-N 3.27Å; L285-Y289 PolarHBondContact O-N 2.91Å; L285-I300 HydrophobicContact CB-CG2 4.06Å; L285-I300 HydrophobicContact CD1-CG2 4.06Å; L285-I300 HydrophobicContact CD2-CG1 4.36Å; L285-I300 HydrophobicContact CD2-CG2 4.1Å; L285-I300 HydrophobicContact CG-CG2 4.29Å; L285-L340 HydrophobicContact CD2-CD1 3.77Å; L285-L343 HydrophobicContact CD2-CD2 3.86Å
286W88.9Confident83.5Confident2 Ų215.5 Ų15.51%0.0089%0.086CC..Hα-helixtrans-62.2-46.1173.8-159.7-107.4000112.3W111 I193 F197 L213 L269 L273 T282 L283 R284 V288 Y289 L290W111-W286 AromaticContact CH2-CD1 3.75Å; W111-W286 AromaticContact CZ2-CD1 3.58Å; I193-W286 HydrophobicContact CG1-CH2 4.49Å; I193-W286 HydrophobicContact CG2-CH2 3.91Å; I193-W286 HydrophobicContact CG2-CZ2 3.91Å; F197-W286 HydrophobicContact CE1-CZ2 4.23Å; F197-W286 AromaticContact CE1-NE1 3.49Å; F197-W286 HydrophobicContact CE2-CZ2 4.07Å; F197-W286 AromaticContact CZ-CZ2 3.66Å; F197-W286 HydrophobicContact CZ-CZ2 3.66Å; F197-W286 AromaticContact CZ-NE1 3.82Å; L213-W286 HydrophobicContact CD2-CH2 3.65Å; L213-W286 HydrophobicContact CD2-CZ2 3.7Å; L269-W286 HydrophobicContact CD2-CE3 4.21Å; L269-W286 HydrophobicContact CD2-CZ3 3.84Å; L273-W286 HydrophobicContact CD1-CE3 3.9Å; L273-W286 HydrophobicContact CD1-CZ3 4.05Å; T282-W286 WeakPolarHBondContact O-CB 3.48Å; T282-W286 PolarHBondContact O-N 2.9Å; L283-W286 WeakPolarHBondContact O-CB 3.35Å; L283-W286 PolarHBondContact O-N 3.37Å; R284-W286 VanDerWaalsContact C-N 3.31Å; W286-V288 PolarHBondContact O-N 2.99Å; W286-Y289 HydrophobicContact CE3-CD1 4.21Å; W286-Y289 HydrophobicContact CH2-CD1 4.48Å; W286-Y289 HydrophobicContact CH2-CE1 4.4Å; W286-Y289 HydrophobicContact CZ3-CD1 4.15Å; W286-Y289 HydrophobicContact CZ3-CE1 4.36Å; W286-Y289 PolarHBondContact O-N 3.22Å; W286-Y289 VanDerWaalsContact O-N 3.09Å; W286-L290 WeakPolarHBondContact O-CG 3.42Å; W286-L290 PolarHBondContact O-N 2.9Å
287D92.1Very high84.6Confident0 Ų014.6 Ų14.60%08%0.077CC..Hα-helixtrans-55.2-40.9175.4-66.3-31.1000111.5M102 R107 W111 L283 V291M102-D287 HydrophobicContact CB-CB 4.45Å; M102-D287 WeakPolarHBondContact CB-OD2 3.48Å; M102-D287 HydrophobicContact CE-CB 4.24Å; R107-D287 IonicContact CZ-OD2 3.33Å; R107-D287 IonicContact NE-OD1 3.24Å; R107-D287 PolarHBondContact NE-OD1 3.1Å; R107-D287 IonicContact NE-OD2 4Å; R107-D287 PolarHBondContact NE-OD2 3.13Å; R107-D287 IonicContact NH2-OD2 3.16Å; R107-D287 PolarHBondContact NH2-OD2 3.34Å; W111-D287 PolarHBondContact NE1-OD1 3.3Å; L283-D287 PolarHBondContact O-N 3.19Å; D287-V291 VanDerWaalsContact O-CG2 3.3Å; D287-V291 WeakPolarHBondContact O-CG2 3.35Å; D287-V291 PolarHBondContact O-N 3.03Å
288V92.2Very high85.2Confident0 Ų016.7 Ų16.70%09%0.087CC..Hα-helixtrans-70.9-42.71771730000111.2A98 Y99 R284 L285 W286 V291 E292 A296 L343A98-V288 HydrophobicContact CB-CG2 4.49Å; Y99-V288 HydrophobicContact CD1-CG2 4.06Å; Y99-V288 HydrophobicContact CE1-CG1 3.84Å; Y99-V288 HydrophobicContact CE1-CG2 4.08Å; Y99-V288 HydrophobicContact CE2-CG1 4.2Å; Y99-V288 HydrophobicContact CG-CG2 4.39Å; Y99-V288 WeakPolarHBondContact OH-CG1 3.22Å; R284-V288 WeakPolarHBondContact O-CG2 3.4Å; R284-V288 PolarHBondContact O-N 3.04Å; L285-V288 PolarHBondContact O-N 3.27Å; W286-V288 PolarHBondContact O-N 2.99Å; V288-V291 PolarHBondContact O-N 3.15Å; V288-E292 HydrophobicContact CG1-CG 4.04Å; V288-E292 WeakPolarHBondContact O-CB 3.29Å; V288-E292 PolarHBondContact O-N 2.83Å; V288-A296 HydrophobicContact CG1-CB 4.48Å; V288-L343 HydrophobicContact CB-CD2 4.49Å; V288-L343 HydrophobicContact CG1-CD2 4.01Å
289Y89.3Confident85.2Confident1 Ų115 Ų150%0.0048%0.075CC..Hα-helixtrans-62.3-43.7179.3173.4-120000112.4L213 H219 L266 L285 W286 V291 G293 L297L213-Y289 HydrophobicContact CD1-CE1 3.69Å; H219-Y289 PolarHBondContact O-OH 3.13Å; L266-Y289 HydrophobicContact CD1-CE1 4.48Å; L285-Y289 PolarHBondContact O-N 2.91Å; W286-Y289 HydrophobicContact CE3-CD1 4.21Å; W286-Y289 HydrophobicContact CH2-CD1 4.48Å; W286-Y289 HydrophobicContact CH2-CE1 4.4Å; W286-Y289 HydrophobicContact CZ3-CD1 4.15Å; W286-Y289 HydrophobicContact CZ3-CE1 4.36Å; W286-Y289 PolarHBondContact O-N 3.22Å; W286-Y289 VanDerWaalsContact O-N 3.09Å; Y289-V291 PolarHBondContact O-N 3.25Å; Y289-G293 WeakPolarHBondContact CD2-O 3.39Å; Y289-G293 VanDerWaalsContact O-CA 3.32Å; Y289-G293 WeakPolarHBondContact O-CA 3.46Å; Y289-G293 PolarHBondContact O-N 2.92Å; Y289-L297 HydrophobicContact CE2-CB 4.25Å; Y289-L297 HydrophobicContact CE2-CD1 4.2Å
290L90.4Very high85.1Confident0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-65.1-25176.8-67.3177.8000113.3W111 L114 L115 F197 L213 H219 W286W111-L290 HydrophobicContact CB-CD1 4.28Å; W111-L290 VanDerWaalsContact CD1-CD1 3.48Å; W111-L290 HydrophobicContact CD2-CD1 3.9Å; W111-L290 HydrophobicContact CG-CD1 3.64Å; L114-L290 HydrophobicContact CD1-CB 4.03Å; L115-L290 HydrophobicContact CD1-CD2 4.09Å; L115-L290 HydrophobicContact CD2-CD2 3.86Å; L115-L290 HydrophobicContact CG-CD2 4.13Å; F197-L290 HydrophobicContact CE1-CD1 4.48Å; L213-L290 HydrophobicContact CD1-CD2 4.07Å; H219-L290 PolarHBondContact NE2-O 3.19Å; W286-L290 WeakPolarHBondContact O-CG 3.42Å; W286-L290 PolarHBondContact O-N 2.9Å
291V91.3Very high84.6Confident4 Ų414.2 Ų14.22%0.0247%0.069CC..Hα-helixtrans-87.8-45.7178.6171.80000111.7L94 I95 A98 L114 R218 D287 V288 Y289L94-V291 HydrophobicContact CD2-CG1 4.25Å; L94-V291 HydrophobicContact CG-CG1 4.02Å; L94-V291 HydrophobicContact CG-CG2 4.42Å; I95-V291 HydrophobicContact CB-CG1 4.47Å; I95-V291 HydrophobicContact CG1-CG1 3.85Å; A98-V291 HydrophobicContact CB-CB 4.17Å; A98-V291 HydrophobicContact CB-CG1 4.27Å; A98-V291 HydrophobicContact CB-CG2 3.95Å; L114-V291 HydrophobicContact CD1-CG2 3.84Å; L114-V291 HydrophobicContact CD2-CG2 4.03Å; R218-V291 PolarHBondContact NH2-O 2.98Å; D287-V291 VanDerWaalsContact O-CG2 3.3Å; D287-V291 WeakPolarHBondContact O-CG2 3.35Å; D287-V291 PolarHBondContact O-N 3.03Å; V288-V291 PolarHBondContact O-N 3.15Å; Y289-V291 PolarHBondContact O-N 3.25Å
292E88.4Confident84Confident30 Ų3018.8 Ų18.814%0.149%0.086CC..Hα-helixtrans-86.4-25.5-174.7-71.4-85.7-16600113.4I95 Y99 V288 Q295 A296 M347I95-E292 WeakPolarHBondContact CG2-OE1 3.41Å; Y99-E292 HydrophobicContact CE2-CG 4.46Å; Y99-E292 WeakPolarHBondContact CE2-OE1 3.35Å; V288-E292 HydrophobicContact CG1-CG 4.04Å; V288-E292 WeakPolarHBondContact O-CB 3.29Å; V288-E292 PolarHBondContact O-N 2.83Å; E292-Q295 WeakPolarHBondContact O-CG 3.47Å; E292-Q295 PolarHBondContact OE2-NE2 2.69Å; E292-A296 HydrophobicContact CB-CB 3.66Å; E292-A296 HydrophobicContact CG-CB 4.45Å; E292-M347 HydrophobicContact CB-CE 4.31Å; E292-M347 HydrophobicContact CG-CE 4.29Å
293G85.4Confident83.5Confident1 Ų119.7 Ų19.71%0.019%0.09CC..  trans77.4-158.1-177.200000114.3R218 Y289 Q295 A296R218-G293 VanDerWaalsContact O-CA 3.3Å; R218-G293 WeakPolarHBondContact O-CA 3.3Å; Y289-G293 WeakPolarHBondContact CD2-O 3.39Å; Y289-G293 VanDerWaalsContact O-CA 3.32Å; Y289-G293 WeakPolarHBondContact O-CA 3.46Å; Y289-G293 PolarHBondContact O-N 2.92Å; G293-Q295 PolarHBondContact O-N 2.62Å; G293-Q295 VanDerWaalsContact O-N 3.08Å; G293-A296 PolarHBondContact O-N 3.14Å
294E81.3Confident82.5Confident74 Ų7419.7 Ų19.735%0.3469%0.091SC..Hα-helixtrans-51-36.2-174.3-167.7-167.8-169.100113.6R218 S220 L221 A296 L297R218-E294 PolarHBondContact O-N 2.9Å; S220-E294 VanDerWaalsContact O-CD 3.29Å; L221-E294 HydrophobicContact CD2-CG 3.98Å; E294-A296 PolarHBondContact O-N 3.43Å; E294-A296 VanDerWaalsContact O-N 3.11Å; E294-L297 WeakPolarHBondContact O-CB 3.5Å; E294-L297 PolarHBondContact O-N 2.86Å
295Q82.5Confident81.4Confident80 Ų8025.2 Ų25.237%0.37412%0.115SC..Hα-helixtrans-60.2-24.7-179.955.4175.926.200114.5E292 G293 P299 M347E292-Q295 WeakPolarHBondContact O-CG 3.47Å; E292-Q295 PolarHBondContact OE2-NE2 2.69Å; G293-Q295 PolarHBondContact O-N 2.62Å; G293-Q295 VanDerWaalsContact O-N 3.08Å; Q295-P299 WeakPolarHBondContact O-CD 3.1Å; Q295-M347 HydrophobicContact CB-CE 4.41Å; Q295-M347 HydrophobicContact CG-CE 4Å
296A83.5Confident80.6Confident0 Ų030.1 Ų30.10%014%0.136CC..Hα-helixtrans-81.9-18.4175.900000113V288 E292 G293 E294 P299 I300 M347V288-A296 HydrophobicContact CG1-CB 4.48Å; E292-A296 HydrophobicContact CB-CB 3.66Å; E292-A296 HydrophobicContact CG-CB 4.45Å; G293-A296 PolarHBondContact O-N 3.14Å; E294-A296 PolarHBondContact O-N 3.43Å; E294-A296 VanDerWaalsContact O-N 3.11Å; A296-P299 WeakPolarHBondContact O-CD 3.32Å; A296-I300 HydrophobicContact CB-CD1 3.81Å; A296-I300 HydrophobicContact CB-CG1 4.45Å; A296-I300 WeakPolarHBondContact O-CB 3.44Å; A296-I300 WeakPolarHBondContact O-CD1 3.46Å; A296-I300 WeakPolarHBondContact O-CG1 3.18Å; A296-I300 PolarHBondContact O-N 2.83Å; A296-M347 HydrophobicContact CB-CE 4.05Å; A296-M347 HydrophobicContact CB-SD 4.4Å
297L79Confident79.5Confident1 Ų131.3 Ų31.31%0.00514%0.144CC..Hα-helixtrans-61.1-54-171.5-172.364.7000112.1L221 P265 L266 L269 Y289 E294 I300 T301L221-L297 HydrophobicContact CD1-CD2 3.85Å; L221-L297 HydrophobicContact CD2-CD2 3.36Å; L221-L297 HydrophobicContact CG-CD2 3.92Å; P265-L297 HydrophobicContact CB-CD2 3.73Å; P265-L297 HydrophobicContact CB-CG 4.06Å; L266-L297 HydrophobicContact CB-CD2 4.31Å; L266-L297 HydrophobicContact CD1-CD1 4.39Å; L269-L297 HydrophobicContact CB-CD1 3.97Å; L269-L297 HydrophobicContact CD2-CD1 3.73Å; L269-L297 HydrophobicContact CG-CD1 4.31Å; Y289-L297 HydrophobicContact CE2-CB 4.25Å; Y289-L297 HydrophobicContact CE2-CD1 4.2Å; E294-L297 WeakPolarHBondContact O-CB 3.5Å; E294-L297 PolarHBondContact O-N 2.86Å; L297-I300 PolarHBondContact O-N 3.45Å; L297-T301 WeakPolarHBondContact O-CB 3.33Å; L297-T301 PolarHBondContact O-N 3.03Å; L297-T301 PolarHBondContact O-OG1 3.48Å
298M73.6Confident78.1Confident61 Ų6132.8 Ų32.830%0.315%0.151SC..Hα-helixtrans-61.8-46.1-179-68.2-56.5-63.600113.1P265 I300 T301 R302P265-M298 HydrophobicContact CB-SD 3.61Å; P265-M298 HydrophobicContact CG-SD 3.64Å; M298-I300 PolarHBondContact O-N 3.22Å; M298-T301 PolarHBondContact O-N 2.76Å; M298-R302 WeakPolarHBondContact O-CB 3.29Å; M298-R302 PolarHBondContact O-N 2.8Å
299P78.3Confident76.7Confident10 Ų1036.4 Ų36.47%0.06517%0.168CC..Hα-helixtrans-60.2-40.7172.7-3040.1000114.1Q295 A296 I303 L343 M347 L350Q295-P299 WeakPolarHBondContact O-CD 3.1Å; A296-P299 WeakPolarHBondContact O-CD 3.32Å; P299-I303 WeakPolarHBondContact O-CB 3.36Å; P299-I303 WeakPolarHBondContact O-CG1 3.3Å; P299-I303 PolarHBondContact O-N 3.42Å; P299-I303 VanDerWaalsContact O-N 3.08Å; P299-L343 HydrophobicContact CB-CD1 3.61Å; P299-M347 HydrophobicContact CB-CG 4.47Å; P299-M347 HydrophobicContact CB-SD 4.08Å; P299-M347 HydrophobicContact CG-SD 3.65Å; P299-L350 HydrophobicContact CG-CD2 4.38Å
300I77.4Confident75.5Confident0 Ų042.2 Ų42.20%019%0.193CC..Hα-helixtrans-63.4-52.6176.3-68.7166.8000109.5L269 L285 A296 L297 M298 R302 I303 A304 L343L269-I300 HydrophobicContact CD1-CB 4.2Å; L269-I300 HydrophobicContact CD1-CG2 3.22Å; L285-I300 HydrophobicContact CB-CG2 4.06Å; L285-I300 HydrophobicContact CD1-CG2 4.06Å; L285-I300 HydrophobicContact CD2-CG1 4.36Å; L285-I300 HydrophobicContact CD2-CG2 4.1Å; L285-I300 HydrophobicContact CG-CG2 4.29Å; A296-I300 HydrophobicContact CB-CD1 3.81Å; A296-I300 HydrophobicContact CB-CG1 4.45Å; A296-I300 WeakPolarHBondContact O-CB 3.44Å; A296-I300 WeakPolarHBondContact O-CD1 3.46Å; A296-I300 WeakPolarHBondContact O-CG1 3.18Å; A296-I300 PolarHBondContact O-N 2.83Å; L297-I300 PolarHBondContact O-N 3.45Å; M298-I300 PolarHBondContact O-N 3.22Å; I300-R302 VanDerWaalsContact C-N 3.29Å; I300-R302 PolarHBondContact O-N 3.19Å; I300-I303 PolarHBondContact O-N 2.91Å; I300-I303 VanDerWaalsContact O-N 3.09Å; I300-A304 WeakPolarHBondContact O-CB 3.31Å; I300-A304 PolarHBondContact O-N 3.49Å; I300-L343 HydrophobicContact CD1-CD2 4.43Å; I300-L343 HydrophobicContact CG1-CD1 3.77Å; I300-L343 HydrophobicContact CG1-CD2 3.71Å; I300-L343 HydrophobicContact CG1-CG 4.41Å
301T71Confident73.9Confident10 Ų1047 Ų476%0.06121%0.211CC..Hα-helixtrans-57.5-41.8-179.9-59.50000111.5P265 C268 I272 L297 M298 I303 A304 F305P265-T301 PolarHBondContact O-OG1 3.09Å; C268-T301 HydrophobicContact CB-CG2 3.67Å; I272-T301 HydrophobicContact CD1-CG2 4.3Å; L297-T301 WeakPolarHBondContact O-CB 3.33Å; L297-T301 PolarHBondContact O-N 3.03Å; L297-T301 PolarHBondContact O-OG1 3.48Å; M298-T301 PolarHBondContact O-N 2.76Å; T301-I303 PolarHBondContact O-N 3.3Å; T301-A304 PolarHBondContact O-N 3.09Å; T301-F305 VanDerWaalsContact O-CB 3.32Å; T301-F305 WeakPolarHBondContact O-CB 3.33Å; T301-F305 PolarHBondContact O-N 2.99Å
302R70.2Confident72.1Confident105 Ų10552.4 Ų52.440%0.39624%0.239SC..Hα-helixtrans-62.7-43.7176.1-175.1178.3-172.9175.14.6112.7M298 I300 K306M298-R302 WeakPolarHBondContact O-CB 3.29Å; M298-R302 PolarHBondContact O-N 2.8Å; I300-R302 VanDerWaalsContact C-N 3.29Å; I300-R302 PolarHBondContact O-N 3.19Å; R302-K306 WeakPolarHBondContact O-CG 3.39Å; R302-K306 PolarHBondContact O-N 3.05Å; R302-K306 VanDerWaalsContact O-N 3.09Å
303I73.5Confident70.4Confident22 Ų2255.2 Ų55.211%0.11326%0.258CS..Hα-helixtrans-67.4-44.3179-76.6175.7000110.2P299 I300 T301 F305 K306 V307 V339 L343P299-I303 WeakPolarHBondContact O-CB 3.36Å; P299-I303 WeakPolarHBondContact O-CG1 3.3Å; P299-I303 PolarHBondContact O-N 3.42Å; P299-I303 VanDerWaalsContact O-N 3.08Å; I300-I303 PolarHBondContact O-N 2.91Å; I300-I303 VanDerWaalsContact O-N 3.09Å; T301-I303 PolarHBondContact O-N 3.3Å; I303-F305 VanDerWaalsContact C-N 3.34Å; I303-F305 PolarHBondContact O-N 3.23Å; I303-K306 WeakPolarHBondContact O-CB 3.46Å; I303-K306 PolarHBondContact O-N 3.37Å; I303-V307 WeakPolarHBondContact O-CG2 3.38Å; I303-V307 PolarHBondContact O-N 2.82Å; I303-V339 HydrophobicContact CG2-CG1 3.47Å; I303-V339 VanDerWaalsContact CG2-CG1 3.47Å; I303-L343 HydrophobicContact CD1-CB 3.53Å; I303-L343 HydrophobicContact CD1-CD1 3.79Å; I303-L343 HydrophobicContact CD1-CG 4.24Å
304A68.1Low68.5Low2 Ų260 Ų602%0.01728%0.279CS..Hα-helixtrans-63.9-41.2-179.100000110.6I272 I277 I300 T301 K306 V307 Q308I272-A304 HydrophobicContact CB-CB 4.16Å; I272-A304 HydrophobicContact CD1-CB 3.67Å; I272-A304 HydrophobicContact CG1-CB 4.41Å; I272-A304 HydrophobicContact CG2-CB 3.48Å; I272-A304 VanDerWaalsContact CG2-CB 3.48Å; I277-A304 HydrophobicContact CD1-CB 4.01Å; I300-A304 WeakPolarHBondContact O-CB 3.31Å; I300-A304 PolarHBondContact O-N 3.49Å; T301-A304 PolarHBondContact O-N 3.09Å; A304-K306 PolarHBondContact O-N 3.11Å; A304-V307 WeakPolarHBondContact O-CB 3.48Å; A304-V307 PolarHBondContact O-N 2.69Å; A304-Q308 WeakPolarHBondContact O-CG 3.22Å; A304-Q308 PolarHBondContact O-N 3.41Å
305F66.4Low66.6Low124 Ų12461.7 Ų61.754%0.54430%0.295SS..Hα-helixtrans-62.1-42.8171.8-174.3-96.7000112.8T301 I303 V307 Q308 Q309T301-F305 VanDerWaalsContact O-CB 3.32Å; T301-F305 WeakPolarHBondContact O-CB 3.33Å; T301-F305 PolarHBondContact O-N 2.99Å; I303-F305 VanDerWaalsContact C-N 3.34Å; I303-F305 PolarHBondContact O-N 3.23Å; F305-V307 VanDerWaalsContact C-N 3.27Å; F305-V307 PolarHBondContact O-N 2.9Å; F305-Q308 WeakPolarHBondContact O-CB 3.48Å; F305-Q308 PolarHBondContact O-N 3.2Å; F305-Q309 WeakPolarHBondContact O-CB 3.39Å; F305-Q309 PolarHBondContact O-N 3.02Å
306K69.1Low64.7Low105 Ų10562.5 Ų62.546%0.45731%0.309SS..Hα-helixtrans-61.7-35.6174.8-77.6179.6175.3-174.50112.6R302 I303 A304 K310R302-K306 WeakPolarHBondContact O-CG 3.39Å; R302-K306 PolarHBondContact O-N 3.05Å; R302-K306 VanDerWaalsContact O-N 3.09Å; I303-K306 WeakPolarHBondContact O-CB 3.46Å; I303-K306 PolarHBondContact O-N 3.37Å; A304-K306 PolarHBondContact O-N 3.11Å; K306-K310 WeakPolarHBondContact O-CG 3.49Å; K306-K310 PolarHBondContact O-N 3.47Å
307V66.6Low62.6Low27 Ų2773.2 Ų73.216%0.16435%0.35CS..Hα-helixtrans-66-45.1174.8171.70000110I277 I303 A304 F305 R311I277-V307 HydrophobicContact CD1-CB 4.35Å; I277-V307 HydrophobicContact CD1-CG1 4.18Å; I277-V307 HydrophobicContact CG1-CG1 4.32Å; I303-V307 WeakPolarHBondContact O-CG2 3.38Å; I303-V307 PolarHBondContact O-N 2.82Å; A304-V307 WeakPolarHBondContact O-CB 3.48Å; A304-V307 PolarHBondContact O-N 2.69Å; F305-V307 VanDerWaalsContact C-N 3.27Å; F305-V307 PolarHBondContact O-N 2.9Å; V307-R311 PolarHBondContact O-N 3.48Å
308Q63.3Low60.9Low31 Ų3180 Ų8015%0.14540%0.396CS..Hα-helixtrans-61.7-51.5176.7-71.1-56.5-31.500112.9I272 G276 I277 A304 F305 K310 R311 L312I272-Q308 HydrophobicContact CG1-CG 4.44Å; I272-Q308 HydrophobicContact CG2-CG 3.99Å; G276-Q308 VanDerWaalsContact CA-NE2 3.27Å; G276-Q308 PolarHBondContact O-NE2 3.32Å; I277-Q308 VanDerWaalsContact CG1-NE2 3.32Å; A304-Q308 WeakPolarHBondContact O-CG 3.22Å; A304-Q308 PolarHBondContact O-N 3.41Å; F305-Q308 WeakPolarHBondContact O-CB 3.48Å; F305-Q308 PolarHBondContact O-N 3.2Å; Q308-K310 PolarHBondContact O-N 3.01Å; Q308-R311 WeakPolarHBondContact O-CA 3.39Å; Q308-R311 WeakPolarHBondContact O-CB 3.37Å; Q308-R311 PolarHBondContact O-N 3.29Å; Q308-L312 PolarHBondContact O-N 3.26Å
309Q62.6Low59.4Low77 Ų7778.7 Ų78.736%0.3640%0.397SS..Hα-helixtrans-57.4-37.5-177.8-168.8-177.51700112.1F305 R311 L312 T313F305-Q309 WeakPolarHBondContact O-CB 3.39Å; F305-Q309 PolarHBondContact O-N 3.02Å; Q309-R311 VanDerWaalsContact C-N 3.33Å; Q309-R311 PolarHBondContact O-N 3.48Å; Q309-L312 PolarHBondContact O-N 2.91Å; Q309-T313 WeakPolarHBondContact O-CG2 3.48Å; Q309-T313 PolarHBondContact O-N 3Å; Q309-T313 PolarHBondContact O-OG1 3.01Å
310K62.9Low57.4Low123 Ų12383.7 Ų83.754%0.53543%0.43SS..Hα-helixtrans-71.4-22.1175.9-74.2-177.8178.3-173.70114.1K306 Q308 K314K306-K310 WeakPolarHBondContact O-CG 3.49Å; K306-K310 PolarHBondContact O-N 3.47Å; Q308-K310 PolarHBondContact O-N 3.01Å; K310-K314 WeakPolarHBondContact O-CD 3.38Å; K310-K314 VanDerWaalsContact O-CG 3.3Å; K310-K314 WeakPolarHBondContact O-CG 3.49Å
311R57.8Low55.6Low99 Ų9991.1 Ų91.137%0.37446%0.458SS..Hα-helixtrans-78.6-43.1171.8-68.7178.5-178.7-144.5-0.3110.3G276 V307 Q308 Q309 K314 T315G276-R311 PolarHBondContact O-NE 2.92Å; G276-R311 PolarHBondContact O-NH1 3.09Å; V307-R311 PolarHBondContact O-N 3.48Å; Q308-R311 WeakPolarHBondContact O-CA 3.39Å; Q308-R311 WeakPolarHBondContact O-CB 3.37Å; Q308-R311 PolarHBondContact O-N 3.29Å; Q309-R311 VanDerWaalsContact C-N 3.33Å; Q309-R311 PolarHBondContact O-N 3.48Å; R311-K314 PolarHBondContact O-N 3.3Å; R311-T315 PolarHBondContact O-N 2.93Å; R311-T315 PolarHBondContact O-OG1 3.4Å
312L53.8Low54Low118 Ų11893.8 Ų93.862%0.61848%0.481SS*.Hα-helixtrans-66.3-44.1-179.6-67.3171.8000112.7Q308 Q309 K314 T315Q308-L312 PolarHBondContact O-N 3.26Å; Q309-L312 PolarHBondContact O-N 2.91Å; L312-K314 PolarHBondContact O-N 3.25Å; L312-K314 VanDerWaalsContact O-N 3.12Å; L312-T315 PolarHBondContact O-N 3.03Å
313T53Low52.2Low89 Ų8998.9 Ų98.955%0.54650%0.5SS..Hα-helixtrans-65.3-15.8177.152.60000114.1Q309Q309-T313 WeakPolarHBondContact O-CG2 3.48Å; Q309-T313 PolarHBondContact O-N 3Å; Q309-T313 PolarHBondContact O-OG1 3.01Å
314K44.7Very low50.3Low101 Ų101101.9 Ų101.944%0.43951%0.513SS..Hα-helixtrans-86.2-19172-70.6178.2-172.1-175.60113.6K310 R311 L312K310-K314 WeakPolarHBondContact O-CD 3.38Å; K310-K314 VanDerWaalsContact O-CG 3.3Å; K310-K314 WeakPolarHBondContact O-CG 3.49Å; R311-K314 PolarHBondContact O-N 3.3Å; L312-K314 PolarHBondContact O-N 3.25Å; L312-K314 VanDerWaalsContact O-N 3.12Å
315T41.7Very low48.7Very low111 Ų111103.9 Ų103.968%0.68153%0.526SS*.Hα-helixtrans-90.7-17.6-173.8-46.90000111.7R311 L312 R317R311-T315 PolarHBondContact O-N 2.93Å; R311-T315 PolarHBondContact O-OG1 3.4Å; L312-T315 PolarHBondContact O-N 3.03Å; T315-R317 VanDerWaalsContact C-N 3.32Å; T315-R317 PolarHBondContact O-N 2.92Å
316S43.2Very low47.2Very low96 Ų96103.7 Ų103.767%0.67153%0.53SS*.SBendtrans-84.721.6-178.775.70000115.9
317R38Very low45.3Very low226 Ų226107.8 Ų107.885%0.85354%0.543SS*.SBendtrans-139.1101.2169.3-68-177.8102.5165.13.3110.1T315T315-R317 VanDerWaalsContact C-N 3.32Å; T315-R317 PolarHBondContact O-N 2.92Å
318C42.8Very low43.6Very low144 Ų144110.5 Ų110.597%0.97355%0.553SS**  trans-83.7135.8-178.7-164.70000111.7
319G43.3Very low42.5Very low32 Ų32113.9 Ų113.933%0.3358%0.575SS.*SBendtrans166.8179.3178.600000111.2W321 A322G319-W321 PolarHBondContact O-N 3.39Å; G319-A322 PolarHBondContact O-N 3.29Å; G319-A322 VanDerWaalsContact O-N 3.08Å
320P36.3Very low41.3Very low116 Ų116114.8 Ų114.875%0.75358%0.582SS**THydrogen-bonded Turntrans-50.6-8.1-176.3-26.633.7000116.5A322P320-A322 PolarHBondContact O-N 3Å
321W38.9Very low39.9Very low156 Ų156111.7 Ų111.759%0.59157%0.574SS**THydrogen-bonded Turntrans-60.1-16.6167.6-125.4-132.4000115.5G319 R323 F324 C325G319-W321 PolarHBondContact O-N 3.39Å; W321-R323 VanDerWaalsContact C-N 3.25Å; W321-R323 PolarHBondContact O-N 3.43Å; W321-F324 HydrophobicContact CD2-CB 3.97Å; W321-F324 AromaticContact CD2-CD1 3.97Å; W321-F324 HydrophobicContact CD2-CD1 3.97Å; W321-F324 HydrophobicContact CD2-CG 4.13Å; W321-F324 AromaticContact CE2-CD1 3.45Å; W321-F324 VanDerWaalsContact CE2-CD1 3.45Å; W321-F324 AromaticContact CE2-CE1 3.85Å; W321-F324 HydrophobicContact CE3-CB 4.05Å; W321-F324 HydrophobicContact CE3-CG 4.29Å; W321-F324 HydrophobicContact CG-CB 4.29Å; W321-F324 HydrophobicContact CG-CD1 4.43Å; W321-F324 HydrophobicContact CH2-CD1 4.19Å; W321-F324 HydrophobicContact CH2-CD2 4.34Å; W321-F324 HydrophobicContact CH2-CE1 4.24Å; W321-F324 HydrophobicContact CH2-CE2 4.41Å; W321-F324 HydrophobicContact CH2-CG 4.22Å; W321-F324 HydrophobicContact CH2-CZ 4.35Å; W321-F324 AromaticContact CZ2-CD1 3.59Å; W321-F324 HydrophobicContact CZ2-CD1 3.59Å; W321-F324 AromaticContact CZ2-CE1 3.56Å; W321-F324 HydrophobicContact CZ2-CE1 3.56Å; W321-F324 HydrophobicContact CZ2-CG 4.07Å; W321-F324 HydrophobicContact CZ2-CZ 4.05Å; W321-F324 HydrophobicContact CZ3-CB 4.48Å; W321-F324 HydrophobicContact CZ3-CG 4.33Å; W321-F324 AromaticContact NE1-CD1 3.66Å; W321-F324 CarbonylContact O-C 3.47Å; W321-F324 WeakPolarHBondContact O-CA 3.49Å; W321-F324 WeakPolarHBondContact O-CB 3.36Å; W321-F324 PolarHBondContact O-N 3.49Å; W321-C325 WeakPolarHBondContact O-CB 2.84Å; W321-C325 PolarHBondContact O-N 3.45Å; W321-C325 PolarHBondContact O-SG 3.11Å
322A36.8Very low39.1Very low65 Ų65112 Ų11254%0.53758%0.575SS.*Hα-helixtrans-58.7-36.1174.600000112.7G319 P320 F324 C325 N326G319-A322 PolarHBondContact O-N 3.29Å; G319-A322 VanDerWaalsContact O-N 3.08Å; P320-A322 PolarHBondContact O-N 3Å; A322-F324 VanDerWaalsContact C-N 3.33Å; A322-C325 PolarHBondContact O-N 2.88Å; A322-N326 PolarHBondContact O-N 2.9Å
323R33.1Very low38.7Very low212 Ų212109.4 Ų109.480%0.857%0.571SS**Hα-helixtrans-72.5-25.4173-69.5-169.9-71.8-152.7-0.6112.9W321W321-R323 VanDerWaalsContact C-N 3.25Å; W321-R323 PolarHBondContact O-N 3.43Å
324F34Very low38.5Very low86 Ų86112 Ų11238%0.37757%0.57SS.*Hα-helixtrans-79.6-32.2173.2-169-101.2000112W321 A322 R327 F328W321-F324 HydrophobicContact CD2-CB 3.97Å; W321-F324 AromaticContact CD2-CD1 3.97Å; W321-F324 HydrophobicContact CD2-CD1 3.97Å; W321-F324 HydrophobicContact CD2-CG 4.13Å; W321-F324 AromaticContact CE2-CD1 3.45Å; W321-F324 VanDerWaalsContact CE2-CD1 3.45Å; W321-F324 AromaticContact CE2-CE1 3.85Å; W321-F324 HydrophobicContact CE3-CB 4.05Å; W321-F324 HydrophobicContact CE3-CG 4.29Å; W321-F324 HydrophobicContact CG-CB 4.29Å; W321-F324 HydrophobicContact CG-CD1 4.43Å; W321-F324 HydrophobicContact CH2-CD1 4.19Å; W321-F324 HydrophobicContact CH2-CD2 4.34Å; W321-F324 HydrophobicContact CH2-CE1 4.24Å; W321-F324 HydrophobicContact CH2-CE2 4.41Å; W321-F324 HydrophobicContact CH2-CG 4.22Å; W321-F324 HydrophobicContact CH2-CZ 4.35Å; W321-F324 AromaticContact CZ2-CD1 3.59Å; W321-F324 HydrophobicContact CZ2-CD1 3.59Å; W321-F324 AromaticContact CZ2-CE1 3.56Å; W321-F324 HydrophobicContact CZ2-CE1 3.56Å; W321-F324 HydrophobicContact CZ2-CG 4.07Å; W321-F324 HydrophobicContact CZ2-CZ 4.05Å; W321-F324 HydrophobicContact CZ3-CB 4.48Å; W321-F324 HydrophobicContact CZ3-CG 4.33Å; W321-F324 AromaticContact NE1-CD1 3.66Å; W321-F324 CarbonylContact O-C 3.47Å; W321-F324 WeakPolarHBondContact O-CA 3.49Å; W321-F324 WeakPolarHBondContact O-CB 3.36Å; W321-F324 PolarHBondContact O-N 3.49Å; A322-F324 VanDerWaalsContact C-N 3.33Å; F324-R327 VanDerWaalsContact O-CB 3.31Å; F324-R327 WeakPolarHBondContact O-CB 3.38Å; F324-R327 PolarHBondContact O-N 3.2Å; F324-F328 AromaticContact CD1-CD2 3.93Å; F324-F328 HydrophobicContact CD1-CD2 3.93Å; F324-F328 HydrophobicContact CD1-CE2 4.04Å; F324-F328 AromaticContact CE1-CD2 3.64Å; F324-F328 HydrophobicContact CE1-CD2 3.64Å; F324-F328 AromaticContact CE1-CE2 3.26Å; F324-F328 HydrophobicContact CE1-CE2 3.26Å; F324-F328 HydrophobicContact CE1-CZ 4.27Å; F324-F328 HydrophobicContact CE2-CE2 4.46Å; F324-F328 HydrophobicContact CZ-CD2 4.17Å; F324-F328 AromaticContact CZ-CE2 3.53Å; F324-F328 HydrophobicContact CZ-CE2 3.53Å; F324-F328 PolarHBondContact O-N 3.46Å
325C34.6Very low39.6Very low43 Ų43109 Ų10929%0.29156%0.56SS.*Hα-helixtrans-70.2-34.7176.6-72.90000112.8W321 A322 R327 F328 V329W321-C325 WeakPolarHBondContact O-CB 2.84Å; W321-C325 PolarHBondContact O-N 3.45Å; W321-C325 PolarHBondContact O-SG 3.11Å; A322-C325 PolarHBondContact O-N 2.88Å; C325-R327 PolarHBondContact O-N 3.12Å; C325-F328 WeakPolarHBondContact O-CA 3.49Å; C325-F328 PolarHBondContact O-N 2.89Å; C325-V329 PolarHBondContact O-N 3.28Å; C325-V329 VanDerWaalsContact O-N 3.08Å
326N35.5Very low41.2Very low120 Ų120104.9 Ų104.964%0.64253%0.532SS*.Hα-helixtrans-60.5-35169.7-77.4-10.1000111.7A322 F328A322-N326 PolarHBondContact O-N 2.9Å; N326-F328 PolarHBondContact O-N 2.92Å
327R28.3Very low43Very low192 Ų192103.5 Ų103.573%0.72552%0.518SS*.Hα-helixtrans-70.8-14.3173.3-142.1177.4-139.6-157.54.3113.9F324 C325 T331F324-R327 VanDerWaalsContact O-CB 3.31Å; F324-R327 WeakPolarHBondContact O-CB 3.38Å; F324-R327 PolarHBondContact O-N 3.2Å; C325-R327 PolarHBondContact O-N 3.12Å; R327-T331 PolarHBondContact O-OG1 2.87Å
328F32.1Very low45.2Very low84 Ų8494.8 Ų94.837%0.36849%0.489SS..Hα-helixtrans-103.1-22.4-176.1-105.1-88.8000114.2F324 C325 N326 T331F324-F328 AromaticContact CD1-CD2 3.93Å; F324-F328 HydrophobicContact CD1-CD2 3.93Å; F324-F328 HydrophobicContact CD1-CE2 4.04Å; F324-F328 AromaticContact CE1-CD2 3.64Å; F324-F328 HydrophobicContact CE1-CD2 3.64Å; F324-F328 AromaticContact CE1-CE2 3.26Å; F324-F328 HydrophobicContact CE1-CE2 3.26Å; F324-F328 HydrophobicContact CE1-CZ 4.27Å; F324-F328 HydrophobicContact CE2-CE2 4.46Å; F324-F328 HydrophobicContact CZ-CD2 4.17Å; F324-F328 AromaticContact CZ-CE2 3.53Å; F324-F328 HydrophobicContact CZ-CE2 3.53Å; F324-F328 PolarHBondContact O-N 3.46Å; C325-F328 WeakPolarHBondContact O-CA 3.49Å; C325-F328 PolarHBondContact O-N 2.89Å; N326-F328 PolarHBondContact O-N 2.92Å; F328-T331 WeakPolarHBondContact O-CB 3.45Å; F328-T331 PolarHBondContact O-N 3.33Å
329V39.5Very low47Very low101 Ų10188.5 Ų88.561%0.61245%0.447SS*.Hα-helixtrans-62.4-38166.9174.90000109.8C325 T331 W332 A333C325-V329 PolarHBondContact O-N 3.28Å; C325-V329 VanDerWaalsContact O-N 3.08Å; V329-T331 PolarHBondContact O-N 3.37Å; V329-W332 PolarHBondContact O-N 3.49Å; V329-A333 PolarHBondContact O-N 3.26Å
330D38.1Very low49.1Very low96 Ų9687.1 Ų87.151%0.51343%0.431SS..THydrogen-bonded Turntrans-61.6-19.7170.3-74.5-15.8000114.1R334D330-R334 VanDerWaalsContact O-CD 3.3Å; D330-R334 WeakPolarHBondContact O-CD 3.32Å; D330-R334 VanDerWaalsContact O-CG 3.24Å; D330-R334 WeakPolarHBondContact O-CG 3.38Å; D330-R334 PolarHBondContact O-NE 2.93Å; D330-R334 VanDerWaalsContact O-NE 3.09Å
331T32.3Very low51.5Low59 Ų5988.2 Ų88.236%0.36242%0.424SS..THydrogen-bonded Turntrans-84.4-17.1-179.9-43.60000112.8R327 F328 V329 R334R327-T331 PolarHBondContact O-OG1 2.87Å; F328-T331 WeakPolarHBondContact O-CB 3.45Å; F328-T331 PolarHBondContact O-N 3.33Å; V329-T331 PolarHBondContact O-N 3.37Å; T331-R334 WeakPolarHBondContact O-CB 3.38Å
332W40.6Very low53.7Low106 Ų10686.5 Ų86.540%0.40242%0.423SS..THydrogen-bonded Turntrans-105.6-21.3-178.2-72.789.5000114.2V329 R334 D335V329-W332 PolarHBondContact O-N 3.49Å; W332-R334 PolarHBondContact O-N 2.89Å; W332-R334 VanDerWaalsContact O-N 3.11Å; W332-D335 HydrophobicContact CE3-CB 3.89Å; W332-D335 HydrophobicContact CZ3-CB 4.21Å; W332-D335 WeakPolarHBondContact CZ3-OD2 3.33Å; W332-D335 PolarHBondContact O-N 3.41Å; W332-D335 VanDerWaalsContact O-N 3.1Å
333A45.1Very low56Low63 Ų6383.4 Ų83.452%0.52140%0.397SS..THydrogen-bonded Turntrans-54.5-22.2156.300000111.3V329V329-A333 PolarHBondContact O-N 3.26Å
334R50.3Low58.6Low143 Ų14376.2 Ų76.254%0.5437%0.37SS..THydrogen-bonded Turntrans-81.3-4.5177.8-63.3173.9-171.4-145.8-4.9115.4R63 D330 T331 W332R63-R334 VanDerWaalsContact NH2-CB 3.34Å; R63-R334 PolarHBondContact NH2-O 3.2Å; D330-R334 VanDerWaalsContact O-CD 3.3Å; D330-R334 WeakPolarHBondContact O-CD 3.32Å; D330-R334 VanDerWaalsContact O-CG 3.24Å; D330-R334 WeakPolarHBondContact O-CG 3.38Å; D330-R334 PolarHBondContact O-NE 2.93Å; D330-R334 VanDerWaalsContact O-NE 3.09Å; T331-R334 WeakPolarHBondContact O-CB 3.38Å; W332-R334 PolarHBondContact O-N 2.89Å; W332-R334 VanDerWaalsContact O-N 3.11Å
335D66.6Low61.1Low39 Ų3974.4 Ų74.421%0.20937%0.371CS..  trans-122.88.7-168-15650.9000116.6W332 D337 T338 V339W332-D335 HydrophobicContact CE3-CB 3.89Å; W332-D335 HydrophobicContact CZ3-CB 4.21Å; W332-D335 WeakPolarHBondContact CZ3-OD2 3.33Å; W332-D335 PolarHBondContact O-N 3.41Å; W332-D335 VanDerWaalsContact O-N 3.1Å; D335-D337 VanDerWaalsContact C-N 3.26Å; D335-D337 PolarHBondContact O-N 2.57Å; D335-T338 WeakPolarHBondContact O-CA 3.45Å; D335-T338 WeakPolarHBondContact O-CB 3.46Å; D335-T338 PolarHBondContact O-N 3.01Å; D335-T338 WeakPolarHBondContact OD1-CB 3.49Å; D335-T338 WeakPolarHBondContact OD1-CG2 3.24Å; D335-T338 PolarHBondContact OD1-OG1 3.47Å; D335-T338 WeakPolarHBondContact OD2-CB 3.3Å; D335-V339 PolarHBondContact O-N 2.85Å
336E75.9Confident63.3Low24 Ų2474.3 Ų74.311%0.11237%0.371CS..Hα-helixtrans-55-40.5-178.4-61.1-172.6164.700113.1L281 R284 T338 V339 L340L281-E336 HydrophobicContact CB-CG 4.24Å; L281-E336 HydrophobicContact CD1-CB 4.49Å; L281-E336 PolarHBondContact N-OE1 3.08Å; R284-E336 WeakPolarHBondContact CD-OE2 3.44Å; R284-E336 IonicContact NH1-OE2 3.98Å; E336-T338 VanDerWaalsContact C-N 3.27Å; E336-T338 PolarHBondContact O-N 2.87Å; E336-V339 PolarHBondContact O-N 2.95Å; E336-L340 PolarHBondContact O-N 3.3Å
337D81.6Confident65.7Low67 Ų6769 Ų6936%0.35834%0.342SS..Hα-helixtrans-62.5-34.6176.3-79.9-16.1000112.4R284 D335 K341R284-D337 IonicContact CZ-OD1 3.54Å; R284-D337 VanDerWaalsContact CZ-OD1 3.24Å; R284-D337 IonicContact NH1-OD1 3.62Å; R284-D337 PolarHBondContact NH1-OD1 2.93Å; R284-D337 IonicContact NH2-OD1 2.8Å; R284-D337 PolarHBondContact NH2-OD1 3.4Å; D335-D337 VanDerWaalsContact C-N 3.26Å; D335-D337 PolarHBondContact O-N 2.57Å; D337-K341 VanDerWaalsContact O-CG 3.22Å; D337-K341 WeakPolarHBondContact O-CG 3.4Å; D337-K341 PolarHBondContact O-N 3.17Å
338T82.6Confident68.4Low42 Ų4265.5 Ų65.526%0.25833%0.332SS..Hα-helixtrans-74.9-38.9178.2-54.90000110.8D335 E336 L340 K341 H342D335-T338 WeakPolarHBondContact O-CA 3.45Å; D335-T338 WeakPolarHBondContact O-CB 3.46Å; D335-T338 PolarHBondContact O-N 3.01Å; D335-T338 WeakPolarHBondContact OD1-CB 3.49Å; D335-T338 WeakPolarHBondContact OD1-CG2 3.24Å; D335-T338 PolarHBondContact OD1-OG1 3.47Å; D335-T338 WeakPolarHBondContact OD2-CB 3.3Å; E336-T338 VanDerWaalsContact C-N 3.27Å; E336-T338 PolarHBondContact O-N 2.87Å; T338-L340 VanDerWaalsContact C-N 3.26Å; T338-L340 PolarHBondContact O-N 3.41Å; T338-K341 WeakPolarHBondContact O-CB 3.36Å; T338-K341 PolarHBondContact O-N 3.49Å; T338-H342 VanDerWaalsContact CG2-CE1 3.44Å; T338-H342 WeakPolarHBondContact CG2-CE1 3.49Å; T338-H342 WeakPolarHBondContact CG2-ND1 3.39Å; T338-H342 PolarHBondContact O-N 3.09Å; T338-H342 PolarHBondContact O-ND1 2.79Å
339V82.3Confident70.7Confident13 Ų1368.6 Ų68.68%0.07935%0.345CS..Hα-helixtrans-55.8-46.1172.3176.70000109.9L281 I303 D335 E336 H342 L343L281-V339 HydrophobicContact CD1-CB 4.29Å; L281-V339 HydrophobicContact CD1-CG1 4.01Å; L281-V339 HydrophobicContact CD2-CG1 4.23Å; L281-V339 HydrophobicContact CD2-CG2 4.37Å; I303-V339 HydrophobicContact CG2-CG1 3.47Å; I303-V339 VanDerWaalsContact CG2-CG1 3.47Å; D335-V339 PolarHBondContact O-N 2.85Å; E336-V339 PolarHBondContact O-N 2.95Å; V339-H342 WeakPolarHBondContact O-CB 3.47Å; V339-H342 PolarHBondContact O-N 3.1Å; V339-L343 PolarHBondContact O-N 3Å
340L87.1Confident72.5Confident2 Ų266.9 Ų66.91%0.0133%0.333CS..Hα-helixtrans-70.7-32.8178.5-8739.1000113.4L281 R284 L285 E336 T338 L343 R344L281-L340 HydrophobicContact CD1-CD1 3.75Å; R284-L340 HydrophobicContact CB-CD2 3.89Å; L285-L340 HydrophobicContact CD2-CD1 3.77Å; E336-L340 PolarHBondContact O-N 3.3Å; T338-L340 VanDerWaalsContact C-N 3.26Å; T338-L340 PolarHBondContact O-N 3.41Å; L340-L343 PolarHBondContact O-N 2.95Å; L340-R344 WeakPolarHBondContact O-CB 3.31Å; L340-R344 PolarHBondContact O-N 3.18Å
341K87.2Confident74.3Confident140 Ų14066 Ų6661%0.60933%0.33SS*.Hα-helixtrans-62.3-43.6169.4-75.8169.3-170.9173.80111.4D337 T338 R344 A345D337-K341 VanDerWaalsContact O-CG 3.22Å; D337-K341 WeakPolarHBondContact O-CG 3.4Å; D337-K341 PolarHBondContact O-N 3.17Å; T338-K341 WeakPolarHBondContact O-CB 3.36Å; T338-K341 PolarHBondContact O-N 3.49Å; K341-R344 PolarHBondContact O-N 2.99Å; K341-A345 WeakPolarHBondContact O-CB 3.38Å; K341-A345 PolarHBondContact O-N 2.86Å
342H84.4Confident76.2Confident120 Ų12072.3 Ų72.356%0.55635%0.348SS*.Hα-helixtrans-63.9-42.9175.7-76.786.2000111.4T338 V339 R344 A345 S346T338-H342 VanDerWaalsContact CG2-CE1 3.44Å; T338-H342 WeakPolarHBondContact CG2-CE1 3.49Å; T338-H342 WeakPolarHBondContact CG2-ND1 3.39Å; T338-H342 PolarHBondContact O-N 3.09Å; T338-H342 PolarHBondContact O-ND1 2.79Å; V339-H342 WeakPolarHBondContact O-CB 3.47Å; V339-H342 PolarHBondContact O-N 3.1Å; H342-R344 PolarHBondContact O-N 3.36Å; H342-A345 PolarHBondContact O-N 3.21Å; H342-S346 WeakPolarHBondContact O-CB 3.47Å; H342-S346 PolarHBondContact O-N 3.44Å
343L85.4Confident77.5Confident0 Ų074.8 Ų74.80%036%0.361CS..Hα-helixtrans-57.9-49174.1179.861.7000111Y99 L285 V288 P299 I300 I303 V339 L340 A345 S346 M347Y99-L343 HydrophobicContact CE1-CB 4.25Å; Y99-L343 HydrophobicContact CE1-CD2 3.91Å; Y99-L343 HydrophobicContact CE1-CG 3.88Å; L285-L343 HydrophobicContact CD2-CD2 3.86Å; V288-L343 HydrophobicContact CB-CD2 4.49Å; V288-L343 HydrophobicContact CG1-CD2 4.01Å; P299-L343 HydrophobicContact CB-CD1 3.61Å; I300-L343 HydrophobicContact CD1-CD2 4.43Å; I300-L343 HydrophobicContact CG1-CD1 3.77Å; I300-L343 HydrophobicContact CG1-CD2 3.71Å; I300-L343 HydrophobicContact CG1-CG 4.41Å; I303-L343 HydrophobicContact CD1-CB 3.53Å; I303-L343 HydrophobicContact CD1-CD1 3.79Å; I303-L343 HydrophobicContact CD1-CG 4.24Å; V339-L343 PolarHBondContact O-N 3Å; L340-L343 PolarHBondContact O-N 2.95Å; L343-A345 VanDerWaalsContact C-N 3.33Å; L343-A345 PolarHBondContact O-N 3.01Å; L343-S346 WeakPolarHBondContact O-CB 3.4Å; L343-S346 PolarHBondContact O-N 2.9Å; L343-S346 VanDerWaalsContact O-N 3.11Å; L343-M347 HydrophobicContact CD1-CG 4.41Å; L343-M347 WeakPolarHBondContact O-CG 3.38Å; L343-M347 PolarHBondContact O-N 3.36Å
344R87.9Confident78.2Confident61 Ų6178.3 Ų78.323%0.2337%0.365CS..Hα-helixtrans-61-40.7178.1-167170.1-178.2-169.8-8.2112.5D96 Y99 L340 K341 H342 S346 M347 K348D96-R344 IonicContact OD1-CZ 2.62Å; D96-R344 IonicContact OD1-NH2 2.76Å; D96-R344 PolarHBondContact OD1-NH2 3.46Å; D96-R344 IonicContact OD2-CZ 2.86Å; D96-R344 IonicContact OD2-NH2 3.43Å; D96-R344 PolarHBondContact OD2-NH2 3.29Å; Y99-R344 HydrophobicContact CD1-CB 3.72Å; Y99-R344 HydrophobicContact CD1-CG 4.2Å; Y99-R344 HydrophobicContact CD2-CG 4.19Å; Y99-R344 HydrophobicContact CE1-CB 3.72Å; Y99-R344 HydrophobicContact CE1-CG 4.27Å; Y99-R344 HydrophobicContact CE2-CG 4.25Å; Y99-R344 HydrophobicContact CG-CB 4.18Å; Y99-R344 HydrophobicContact CG-CG 4.17Å; L340-R344 WeakPolarHBondContact O-CB 3.31Å; L340-R344 PolarHBondContact O-N 3.18Å; K341-R344 PolarHBondContact O-N 2.99Å; H342-R344 PolarHBondContact O-N 3.36Å; R344-S346 VanDerWaalsContact C-N 3.35Å; R344-M347 PolarHBondContact O-N 3.2Å; R344-K348 WeakPolarHBondContact O-CG 3.2Å; R344-K348 PolarHBondContact O-N 3.49Å
345A85.3Confident77.9Confident48 Ų4874.4 Ų74.440%0.39737%0.369SS..Hα-helixtrans-64.8-39.5175.100000111.8K341 H342 L343 K348 K349K341-A345 WeakPolarHBondContact O-CB 3.38Å; K341-A345 PolarHBondContact O-N 2.86Å; H342-A345 PolarHBondContact O-N 3.21Å; L343-A345 VanDerWaalsContact C-N 3.33Å; L343-A345 PolarHBondContact O-N 3.01Å; A345-K348 PolarHBondContact O-N 3.19Å; A345-K349 WeakPolarHBondContact O-CG 3.3Å; A345-K349 PolarHBondContact O-N 3.5Å; A345-K349 VanDerWaalsContact O-N 3.1Å
346S82.1Confident77.1Confident40 Ų4078.8 Ų78.828%0.2839%0.393SS..Hα-helixtrans-63.3-44.3175.1-166.70000111.8H342 L343 R344 K348 K349 L350H342-S346 WeakPolarHBondContact O-CB 3.47Å; H342-S346 PolarHBondContact O-N 3.44Å; L343-S346 WeakPolarHBondContact O-CB 3.4Å; L343-S346 PolarHBondContact O-N 2.9Å; L343-S346 VanDerWaalsContact O-N 3.11Å; R344-S346 VanDerWaalsContact C-N 3.35Å; S346-K348 PolarHBondContact O-N 2.94Å; S346-K349 WeakPolarHBondContact O-CB 3.15Å; S346-K349 PolarHBondContact O-N 3.09Å; S346-K349 VanDerWaalsContact O-N 3.16Å; S346-L350 PolarHBondContact O-N 3.17Å
347M84.6Confident75.2Confident8 Ų882.7 Ų82.74%0.03942%0.418CS..Hα-helixtrans-63.2-40.7177-72.5-68.7-74.200112.4Y99 E292 Q295 A296 P299 L343 R344 K349 L350 T351Y99-M347 WeakPolarHBondContact OH-CG 3.32Å; E292-M347 HydrophobicContact CB-CE 4.31Å; E292-M347 HydrophobicContact CG-CE 4.29Å; Q295-M347 HydrophobicContact CB-CE 4.41Å; Q295-M347 HydrophobicContact CG-CE 4Å; A296-M347 HydrophobicContact CB-CE 4.05Å; A296-M347 HydrophobicContact CB-SD 4.4Å; P299-M347 HydrophobicContact CB-CG 4.47Å; P299-M347 HydrophobicContact CB-SD 4.08Å; P299-M347 HydrophobicContact CG-SD 3.65Å; L343-M347 HydrophobicContact CD1-CG 4.41Å; L343-M347 WeakPolarHBondContact O-CG 3.38Å; L343-M347 PolarHBondContact O-N 3.36Å; R344-M347 PolarHBondContact O-N 3.2Å; M347-K349 VanDerWaalsContact C-N 3.3Å; M347-K349 PolarHBondContact O-N 3.49Å; M347-L350 PolarHBondContact O-N 3.07Å; M347-T351 PolarHBondContact O-N 3.08Å; M347-T351 PolarHBondContact O-OG1 3.44Å
348K85Confident73.1Confident119 Ų11984.4 Ų84.452%0.51743%0.433SS..Hα-helixtrans-62.5-34.3172.9-75.5-178.7177.7-173.70113.3R344 A345 S346 T351 R352R344-K348 WeakPolarHBondContact O-CG 3.2Å; R344-K348 PolarHBondContact O-N 3.49Å; A345-K348 PolarHBondContact O-N 3.19Å; S346-K348 PolarHBondContact O-N 2.94Å; K348-T351 VanDerWaalsContact CA-OG1 3.31Å; K348-T351 WeakPolarHBondContact CA-OG1 3.12Å; K348-T351 PolarHBondContact O-OG1 3.27Å; K348-R352 WeakPolarHBondContact O-CG 3.44Å; K348-R352 PolarHBondContact O-N 3.3Å
349K81.5Confident70.9Confident150 Ų15087.9 Ų87.965%0.65246%0.456SS*.Hα-helixtrans-70.7-39.2175.3-72.6176.9-179.7-174.40111.6A345 S346 M347 R352 K353A345-K349 WeakPolarHBondContact O-CG 3.3Å; A345-K349 PolarHBondContact O-N 3.5Å; A345-K349 VanDerWaalsContact O-N 3.1Å; S346-K349 WeakPolarHBondContact O-CB 3.15Å; S346-K349 PolarHBondContact O-N 3.09Å; S346-K349 VanDerWaalsContact O-N 3.16Å; M347-K349 VanDerWaalsContact C-N 3.3Å; M347-K349 PolarHBondContact O-N 3.49Å; K349-R352 PolarHBondContact O-N 3.35Å; K349-K353 PolarHBondContact O-N 3.21Å; K349-K353 VanDerWaalsContact O-N 3.16Å
350L76.1Confident68.7Low65 Ų6593.1 Ų93.134%0.3449%0.49SS..Hα-helixtrans-66.2-43.1178.9-17365.5000111.9P299 S346 M347 R352 K353 K354P299-L350 HydrophobicContact CG-CD2 4.38Å; S346-L350 PolarHBondContact O-N 3.17Å; M347-L350 PolarHBondContact O-N 3.07Å; L350-R352 PolarHBondContact O-N 2.96Å; L350-K353 PolarHBondContact O-N 3.36Å; L350-K354 PolarHBondContact O-N 3.21Å; L350-K354 VanDerWaalsContact O-N 3.09Å
351T75.4Confident66.3Low76 Ų7697.7 Ų97.747%0.46653%0.528SS..Hα-helixtrans-64.2-36.9177.142.60000112.8M347 K348 G355M347-T351 PolarHBondContact O-N 3.08Å; M347-T351 PolarHBondContact O-OG1 3.44Å; K348-T351 VanDerWaalsContact CA-OG1 3.31Å; K348-T351 WeakPolarHBondContact CA-OG1 3.12Å; K348-T351 PolarHBondContact O-OG1 3.27Å; T351-G355 PolarHBondContact O-N 2.93Å
352R74.2Confident63.8Low192 Ų192100 Ų10073%0.72554%0.538SS*.Hα-helixtrans-62.8-49.5172.3-74.9177.7177-166.8-3.5112.2K348 K349 L350 K354 G355 D356K348-R352 WeakPolarHBondContact O-CG 3.44Å; K348-R352 PolarHBondContact O-N 3.3Å; K349-R352 PolarHBondContact O-N 3.35Å; L350-R352 PolarHBondContact O-N 2.96Å; R352-K354 VanDerWaalsContact C-N 3.28Å; R352-K354 PolarHBondContact O-N 3.44Å; R352-G355 WeakPolarHBondContact O-CA 3.45Å; R352-G355 PolarHBondContact O-N 3.33Å; R352-D356 PolarHBondContact O-N 3.25Å
353K67.3Low61.4Low158 Ų158100.3 Ų100.369%0.68755%0.551SS**Hα-helixtrans-61.2-32.1179.5-73.4-173173.2-1630114K349 L350 G355K349-K353 PolarHBondContact O-N 3.21Å; K349-K353 VanDerWaalsContact O-N 3.16Å; L350-K353 PolarHBondContact O-N 3.36Å; K353-G355 VanDerWaalsContact C-N 3.33Å
354K58.5Low58.9Low138 Ų138109.3 Ų109.360%0.659%0.593SS**Hα-helixtrans-72.1-25.3173-77.4-173.8175-1730112.9L350 R352L350-K354 PolarHBondContact O-N 3.21Å; L350-K354 VanDerWaalsContact O-N 3.09Å; R352-K354 VanDerWaalsContact C-N 3.28Å; R352-K354 PolarHBondContact O-N 3.44Å
355G45.7Very low56.2Low61 Ų61115.3 Ų115.363%0.62962%0.623SS**Hα-helixtrans-81.9-17.5177.100000114.6T351 R352 K353 V357T351-G355 PolarHBondContact O-N 2.93Å; R352-G355 WeakPolarHBondContact O-CA 3.45Å; R352-G355 PolarHBondContact O-N 3.33Å; K353-G355 VanDerWaalsContact C-N 3.33Å; G355-V357 VanDerWaalsContact C-N 3.28Å; G355-V357 PolarHBondContact O-N 3.46Å
356D48.1Very low53.7Low131 Ų131117 Ų11770%0.70165%0.646SS**THydrogen-bonded Turntrans-8811.2179.5-61.9-37.5000113.2R352R352-D356 PolarHBondContact O-N 3.25Å
357V38Very low51.2Low105 Ų105120.4 Ų120.464%0.63667%0.67SS**SBendtrans-85.3121.6177.5-1770000109.1G355G355-V357 VanDerWaalsContact C-N 3.28Å; G355-V357 PolarHBondContact O-N 3.46Å
358P37.1Very low49Very low104 Ų104126 Ų12668%0.67571%0.709SS**PPolyproline II helixtrans-63.8150178.125.4-31.9000111.1
359P36.1Very low46.3Very low115 Ų115125 Ų12575%0.74772%0.723SS**PPolyproline II helixtrans-59.3145.1179.323.9-31.9000110.7A361P359-A361 PolarHBondContact O-N 3.16Å
360P36.1Very low43.8Very low122 Ų122123.2 Ų123.279%0.79273%0.73SS**PPolyproline II helixtrans-57.6133.3175.724.2-31.7000109.1K362P360-K362 PolarHBondContact O-N 3.34Å
361A35.9Very low41.6Very low98 Ų98131.6 Ų131.681%0.8176%0.757SS**PPolyproline II helixtrans-50.3132.2179.400000109.9P359P359-A361 PolarHBondContact O-N 3.16Å
362K35.2Very low39.4Very low190 Ų190133.3 Ų133.383%0.82677%0.769SS**PPolyproline II helixtrans-55.4142.7173.5-69.3-178.6178.3179.50108.6P360 E364P360-K362 PolarHBondContact O-N 3.34Å; K362-E364 PolarHBondContact O-N 3.1Å
363P33.8Very low37.3Very low126 Ų126130.6 Ų130.682%0.81877%0.774SS**  trans-62.3112.3172.224.9-30.2000108.1Q365P363-Q365 PolarHBondContact O-N 3.16Å
364E32.3Very low35.6Very low189 Ų189129 Ų12988%0.88378%0.779SS**PPolyproline II helixtrans-62.6119.2172.9-73.9-161.8155.700108.8K362K362-E364 PolarHBondContact O-N 3.1Å
365Q32Very low34.2Very low186 Ų186126.8 Ų126.887%0.86979%0.787SS**PPolyproline II helixtrans-60.7133.5164.5-80.8-177.6-18.300108.6P363 S367P363-Q365 PolarHBondContact O-N 3.16Å; Q365-S367 PolarHBondContact O-N 3.1Å
366G33.4Very low33.4Very low84 Ų84129.2 Ų129.287%0.86679%0.794SS**PPolyproline II helixtrans-54.6134-178.200000112.7
367S29.5Very low32.5Very low112 Ų112134.8 Ų134.878%0.78381%0.806SS**  trans-137.6110.5162.5168.50000108.3Q365 A369Q365-S367 PolarHBondContact O-N 3.1Å; S367-A369 PolarHBondContact O-N 3.46Å
368S37.8Very low32Very low124 Ų124133.8 Ų133.887%0.86782%0.817SS**  trans-63.4113.7170.251.40000111
369A28.2Very low31.6Very low99 Ų99132.8 Ų132.882%0.81883%0.825SS**  trans-156.4129.7156.200000110.4S367S367-A369 PolarHBondContact O-N 3.46Å
370S29.4Very low31.2Very low113 Ų113137.1 Ų137.179%0.7983%0.832SS**  trans-97.7135.2-178.4420000111.3
371R28.8Very low31Very low241 Ų241138.4 Ų138.491%0.90984%0.838SS**  trans162.3163.8146.1-102.7-179.8163.2177.8-3.4112.1
372P31Very low30.6Very low111 Ų111141 Ų14172%0.72184%0.837SS**  -123.6161.4-54.727.1-7000111.6
373V29.6Very low30.3Very low135 Ų135138 Ų13882%0.81884%0.839SS**PPolyproline II helixtrans-82.2135.1171.5173.50000110.2
374P32.1Very low30Very low124 Ų124141.8 Ų141.881%0.80584%0.842SS**PPolyproline II helixtrans-89.8137.51570.119.4000110.9
375A28.7Very low29.8Very low93 Ų93136.4 Ų136.477%0.76984%0.838SS**PPolyproline II helixtrans-77.1142.9-168.700000115.5
376S28.3Very low29.5Very low111 Ų111134.2 Ų134.278%0.77683%0.832SS**  trans49126.8133.2136.90000122
377R29Very low29.3Very low249 Ų249140.9 Ų140.994%0.9483%0.831SS**  -151.8125.9117.5-83.7-177.6-178.5-170.1-1.1104.8
378G26.9Very low29.2Very low84 Ų84145 Ų14587%0.86684%0.838SS**  cis117.296.337.100000107.1
379G28.6Very low28.6Very low82 Ų82143.3 Ų143.385%0.84583%0.832SS**  trans-177.4101.6179.500000112.7
380K28.7Very low29.3Very low206 Ų206144.3 Ų144.390%0.89683%0.83SS**  trans-76.4136.4-177.3-63.4165.7174.7176.30111.2
381T31Very low29.3Very low149 Ų149144.9 Ų144.991%0.91483%0.831SS**  -157140.6129.1-18.90000111.7
382L27.9Very low29.2Very low154 Ų154136.6 Ų136.681%0.80682%0.82SS**  trans-85.3140.1-172.3-174.979.8000110.6
383C29.5Very low29.9Very low127 Ų127137.2 Ų137.286%0.85882%0.824SS**  -176.9135.3124.4-97.10000113.1
384K27.1Very low29.9Very low204 Ų204136.7 Ų136.789%0.88782%0.824SS**  trans-66.5155.3-179.4-91.4174160.3-176.20113.9
385G27.7Very low29.6Very low77 Ų77135.6 Ų135.679%0.79483%0.825SS**  trans-178.8122.9156.200000111.8
386D27.4Very low29.5Very low139 Ų139142.1 Ų142.174%0.74383%0.83SS**  trans-80.8147.9-157.3-75-65.2000117.9
387R27.5Very low29.4Very low224 Ų224146.5 Ų146.585%0.84584%0.835SS**  trans29.3121.3137.7-60177.2173.8-176.3-2.1120.3
388Q28.2Very low29.4Very low200 Ų200140 Ų14094%0.93583%0.825SS**  -171.5140.2108.9-113.8158.74.600113.9
389A25.8Very low29.4Very low88 Ų88147 Ų14773%0.72783%0.825SS**  trans-136.5173.2164.100000106.3
390P43.3Very low29.2Very low120 Ų120148.7 Ų148.778%0.77982%0.822SS**  cis-124.9-160.9-25.738-17.4000109.7
391P29.2Very low29Very low125 Ų125145.8 Ų145.881%0.81281%0.814SS**  -145.6163.673.534-12.4000115.5
392G25.1Very low28.6Very low66 Ų66150.4 Ų150.468%0.6882%0.815SS**  trans-90-157.1166.800000113.2
393P45.5Very low28.5Very low125 Ų125148.3 Ų148.381%0.81281%0.813SS**  -109.4-179.9-102.938.8-31000113.5
394P29.8Very low28.3Very low124 Ų124146.9 Ų146.981%0.80581%0.81SS**  -151.6160.5117.834.3-15000117.7
395A26.2Very low28.2Very low101 Ų101142.7 Ų142.784%0.83581%0.807SS**  trans69.8117.4143.400000122.3
396R27Very low28.2Very low230 Ų230144.7 Ų144.787%0.86881%0.806SS**  trans-56.9151.9157.5-65.3168.7169.2-175.8-3.9112.1
397F25.9Very low28.1Very low202 Ų202144 Ų14489%0.88681%0.809SS**  trans175.1161.7131-93.7-58.8000110.4
398P29.5Very low28Very low112 Ų112145.3 Ų145.373%0.72781%0.814SS**  -112.2164.3-98.332.9-14.3000115.1
399R25.8Very low27.9Very low231 Ų231140.2 Ų140.287%0.87281%0.806SS**  trans-72.4142169.9-64.9-176.8175.8-151.2-1.4111.1
400P24.8Very low27.9Very low119 Ų119142.1 Ų142.177%0.77381%0.811SS**  trans-73.4126.4165.1-10.926.7000110.7
401I25.2Very low27Very low144 Ų144148.1 Ų148.174%0.73882%0.818SS**  trans-86107.3176.7-64.7162.8000108.2
402W23.2Very low26.7Very low247 Ų247147.5 Ų147.594%0.93682%0.817SS**  trans-117.781.5163.8-82.540.2000108.6
403S25.6Very low26.7Very low109 Ų109149.5 Ų149.576%0.76282%0.82SS**  trans-162.989.1161.224.50000107.9
404A25.1Very low25.8Very low97 Ų97149.6 Ų149.680%0.80282%0.818SS**  trans-127.5109.816500000107.7
405S24.6Very low25.7Very low116 Ų116149.5 Ų149.581%0.81182%0.818SS**PPolyproline II helixtrans-67.2138.2167.5-51.30000109.3
406P28.2Very low25.5Very low120 Ų120150 Ų15078%0.77981%0.814SS**PPolyproline II helixtrans-76147.7171.628.1-29.6000111.3
407P25.3Very low25.9Very low123 Ų123145.1 Ų145.180%0.79981%0.812SS**PPolyproline II helixtrans-81.1152.7-174.233-32.9000112.5
408R25.4Very low25.7Very low253 Ų253139.5 Ų139.596%0.95581%0.811SS**PPolyproline II helixtrans-60.1143.4170.1-77.4-178.9-173.1-172.42111.5
409A24.7Very low25.5Very low93 Ų93138 Ų13877%0.76982%0.817SS**  trans-139.5165.2162.900000109.2
410P26.4Very low25.4Very low128 Ų128131.6 Ų131.683%0.83181%0.813SS**  -109.2172.1-122.2166.6000114.9
411R25.1Very low25.3Very low246 Ų246132.1 Ų132.193%0.92881%0.814SS**  trans-70.2138.2173.4-67.8178.2171.8-154.8-2.7112.7
412S22.8Very low25.2Very low112 Ų112135.8 Ų135.878%0.78382%0.818SS**  trans177.2152143.855.20000106.1
413S24.9Very low25.3Very low107 Ų107132.6 Ų132.675%0.74881%0.814SS**  cis-170.7155.90.631.60000106.1
414T26.3Very low25.1Very low127 Ų127134 Ų13478%0.77981%0.812SS**  trans-48.7153.5172.8-16.60000113.3
415P26.7Very low24.9Very low122 Ų122135.4 Ų135.479%0.79281%0.811SS**  -149146.394.232.2-11.8000116.7
416C23.1Very low25Very low112 Ų112140.2 Ų140.276%0.75781%0.813SS**  trans-89.9171.7145.4-66.30000107.7
417P34.8Very low25Very low127 Ų127140.6 Ų140.683%0.82582%0.815SS**  cis-147.1173.522.940.1-18.6000118
418G22.5Very low25Very low84 Ų84142 Ų14287%0.86682%0.821SS**  96123.612900000119.4
419G24.4Very low24.9Very low82 Ų82132.7 Ų132.785%0.84581%0.805SS**  trans155.787.3160.900000114.2
420A23.6Very low24.8Very low95 Ų95135.6 Ų135.679%0.78581%0.813SS**  trans-70.1160.5169.900000111.9
421V23.6Very low25Very low131 Ų131139.1 Ų139.179%0.79482%0.818SS**  168.2121.2121.2159.70000112.5
422R23.2Very low24.9Very low221 Ų221130.7 Ų130.783%0.83481%0.808SS**  trans53.9122.6144.3-71.6-174.7158.6-167.4-8.1124.1
423E24.2Very low24.9Very low180 Ų180131.5 Ų131.584%0.84181%0.808SS**  trans-75146.4141.4-80.7170.5138.500111.3
424D22.2Very low25Very low138 Ų138132.6 Ų132.674%0.73881%0.813SS**  trans-167.9118.8138.8-93.4-37.2000111.8
425T21.9Very low24.8Very low127 Ų127131.2 Ų131.278%0.77981%0.808SS**  trans51.4130.2136.4-43.70000124.3
426Y26Very low24.9Very low217 Ų217131.5 Ų131.585%0.85181%0.81SS**  trans-60168.3-179.6-63.1-92.6000119
427P27.8Very low24.9Very low127 Ų127130.8 Ų130.883%0.82581%0.812SS**  -146.616893.334.8-14.5000118.4
428V24.7Very low24.7Very low152 Ų152132.1 Ų132.192%0.92181%0.811SS**  trans-41.5143.4-179.4176.80000119.1
429G24Very low24.9Very low59 Ų59132 Ų13261%0.60880%0.802SS**  trans152.3122.1143.300000119.4
430T23.5Very low25.1Very low153 Ų153137 Ų13794%0.93980%0.804SS**  trans87.3140153.6160000122.2
431Q29.3Very low25.5Very low202 Ų202136.2 Ų136.294%0.94481%0.805SS**  trans-60.2147.2-168.7-68.2-178.3-2100115.9
432G23.3Very low25.9Very low69 Ų69131.6 Ų131.671%0.71178%0.784SS**  trans163.6119.9159.500000113
433V24Very low26.2Very low129 Ų129126 Ų12678%0.78278%0.776SS**  trans23.5121.9153.6-167.30000117.9S435V433-S435 PolarHBondContact O-N 3Å
434P25.1Very low26.4Very low131 Ų131126.4 Ų126.485%0.85178%0.778SS**  trans-78.8101.1168.627.6-21.7000110.3
435S24.1Very low26.8Very low97 Ų97121.3 Ų121.368%0.67876%0.758SS**  trans-60.3147.5151.9-63.40000109.7V433 A437V433-S435 PolarHBondContact O-N 3Å; S435-A437 PolarHBondContact O-N 2.97Å; S435-A437 VanDerWaalsContact O-N 3.16Å
436P26.7Very low27.3Very low128 Ų128117.5 Ų117.583%0.83174%0.737SS**  trans-70.9114.1-178.73.98.9000109.8L438P436-L438 PolarHBondContact O-N 2.87Å
437A24.3Very low27.8Very low97 Ų97110.8 Ų110.880%0.80271%0.71SS**  trans-66127.9171.500000110.6S435 A439S435-A437 PolarHBondContact O-N 2.97Å; S435-A437 VanDerWaalsContact O-N 3.16Å; A437-A439 PolarHBondContact O-N 3.34Å
438L31.4Very low27.9Very low155 Ų155109.7 Ų109.781%0.81269%0.689SS**  trans-60125.8161.5-92.596.8000109.3P436P436-L438 PolarHBondContact O-N 2.87Å
439A26.4Very low28.1Very low82 Ų82108.4 Ų108.468%0.67867%0.671SS**  trans-127.8116166.400000110.1A437A437-A439 PolarHBondContact O-N 3.34Å
440Q28.2Very low28.2Very low187 Ų187110.1 Ų110.187%0.87467%0.666SS**  trans-66.8154.4-171.3-63.7-160.7-7.800114.8
441G32.4Very low28.4Very low79 Ų79109.5 Ų109.581%0.81465%0.652SS**  trans58.979.1141.700000118.3
442G31.8Very low28.3Very low34 Ų34104.6 Ų104.635%0.35163%0.626SS.*PPolyproline II helixtrans-100.7152.415900000110.2
443P29.3Very low28.5Very low104 Ų104108 Ų10868%0.67563%0.627SS**PPolyproline II helixtrans-58.4143.7179.1-18.628.9000112.2G445 S446P443-G445 PolarHBondContact O-N 3.01Å; P443-G445 VanDerWaalsContact O-N 3.14Å; P443-S446 WeakPolarHBondContact O-CB 3.4Å; P443-S446 PolarHBondContact O-N 3.03Å
444Q28.4Very low28.7Very low188 Ų188107.1 Ų107.188%0.87963%0.627SS**THydrogen-bonded Turntrans-56.1116.7175.3-155.3179.718.600109.4
445G31.4Very low28.8Very low30 Ų30107 Ų10731%0.30962%0.617SS.*THydrogen-bonded Turntrans108.9-1.8-173.600000116.4P443P443-G445 PolarHBondContact O-N 3.01Å; P443-G445 VanDerWaalsContact O-N 3.14Å
446S31.1Very low28.8Very low48 Ų48108.4 Ų108.434%0.33662%0.623SS.*  trans-75.4133.3176.3-172.90000112.4P443 A482P443-S446 WeakPolarHBondContact O-CB 3.4Å; P443-S446 PolarHBondContact O-N 3.03Å; S446-A482 WeakPolarHBondContact O-CB 3.31Å; S446-A482 PolarHBondContact O-N 3.42Å
447W36Very low28.7Very low76 Ų76114 Ų11429%0.28863%0.628SS.*EExtended strand (participates in β ladder)trans-76.7134.9167.7-65.391.6000109.9V113 E118 W479V113-W447 HydrophobicContact CG1-CZ2 4.32Å; E118-W447 WeakPolarHBondContact OE2-CH2 3.36Å; W447-W479 HydrophobicContact CB-CE3 3.7Å; W447-W479 HydrophobicContact CB-CZ3 4.16Å; W447-W479 HydrophobicContact CE3-CB 3.67Å; W447-W479 HydrophobicContact CZ3-CB 4.14Å; W447-W479 WeakPolarHBondContact CZ3-O 3.3Å
448R31.1Very low28.7Very low104 Ų104115.9 Ų115.939%0.39262%0.624SS.*EExtended strand (participates in β ladder)trans-114.3146.4173.4-70.4-174.8-175.5-150.20.1110.7V480 A482R448-V480 PolarHBondContact N-O 3.25Å; R448-V480 PolarHBondContact O-N 2.96Å; R448-A482 HydrophobicContact CG-CB 4.1Å
449F29.3Very low28.3Very low124 Ų124113.9 Ų113.954%0.54462%0.62SS.*EExtended strand (participates in β ladder)trans-85.3115174.2-173.6-94.3000108.5W479F449-W479 HydrophobicContact CD2-CZ2 4.47Å
450L25.6Very low28.3Very low95 Ų95116.2 Ų116.250%0.49763%0.626SS.*EExtended strand (participates in β ladder)trans-106.1126.2174.8-84.2163.3000110.5V480L450-V480 HydrophobicContact CD1-CB 3.87Å; L450-V480 HydrophobicContact CD1-CG2 3.76Å
451Q26.8Very low28.1Very low140 Ų140114.5 Ų114.565%0.65462%0.623SS**EExtended strand (participates in β ladder)trans-82.3132.6172.9-135.3177.9-500109N453Q451-N453 PolarHBondContact O-N 3.12Å
452W27.3Very low28Very low100 Ų100118.1 Ų118.138%0.37962%0.623SS.*SBendtrans-61.5-7.1-167.9-178.8-91.7000118.3S454 M455 Q476W452-S454 PolarHBondContact O-N 3.31Å; W452-M455 HydrophobicContact CZ3-SD 4.49Å; W452-M455 PolarHBondContact O-N 2.77Å; W452-Q476 HydrophobicContact CB-CB 3.37Å; W452-Q476 HydrophobicContact CB-CG 3.79Å; W452-Q476 HydrophobicContact CD2-CB 3.63Å; W452-Q476 HydrophobicContact CD2-CG 3.2Å; W452-Q476 VanDerWaalsContact CD2-NE2 3.28Å; W452-Q476 HydrophobicContact CE3-CB 3.47Å; W452-Q476 VanDerWaalsContact CE3-CB 3.47Å; W452-Q476 HydrophobicContact CE3-CG 3.29Å; W452-Q476 HydrophobicContact CG-CB 3.66Å; W452-Q476 HydrophobicContact CG-CG 3.48Å; W452-Q476 VanDerWaalsContact CG-CG 3.48Å; W452-Q476 VanDerWaalsContact CG-NE2 3.34Å; W452-Q476 HydrophobicContact CH2-CG 4.19Å; W452-Q476 HydrophobicContact CZ2-CG 4.17Å; W452-Q476 HydrophobicContact CZ3-CB 4.26Å; W452-Q476 HydrophobicContact CZ3-CG 3.79Å; W452-Q476 VanDerWaalsContact NE1-CD 3.35Å
453N28.7Very low27.8Very low140 Ų140124.1 Ų124.175%0.74965%0.647SS**THydrogen-bonded Turntrans-64.89.1-171.9-65.4-20.5000115.1Q451Q451-N453 PolarHBondContact O-N 3.12Å
454S28.2Very low27.9Very low111 Ų111123.3 Ų123.378%0.77664%0.64SS**THydrogen-bonded Turntrans-1183.4-175.8-44.20000115.2W452W452-S454 PolarHBondContact O-N 3.31Å
455M25.7Very low27.8Very low129 Ų129122.2 Ų122.264%0.63563%0.634SS**SBendtrans-96.2149.1173.3-98.5-171.8160.500112.3W452 R457W452-M455 HydrophobicContact CZ3-SD 4.49Å; W452-M455 PolarHBondContact O-N 2.77Å; M455-R457 PolarHBondContact O-N 3.4Å
456P24.6Very low27.6Very low125 Ų125121.4 Ų121.481%0.81263%0.626SS**PPolyproline II helixtrans-55.3130.9176-19.529.8000111
457R24.2Very low27.3Very low245 Ų245123.5 Ų123.593%0.92564%0.639SS**PPolyproline II helixtrans-64.1132.2-170.2-61.8-178.6-177.9-169.31111.8M455M455-R457 PolarHBondContact O-N 3.4Å
458L24.9Very low27.2Very low138 Ų138127.5 Ų127.572%0.72365%0.654SS**PPolyproline II helixtrans-75.1152.8164.5-80.4162.8000110.5
459P23.8Very low27.1Very low112 Ų112127.6 Ų127.673%0.72766%0.657SS**PPolyproline II helixtrans-60.5139.6-178.9-20.632000113.1D461P459-D461 VanDerWaalsContact C-N 3.33Å; P459-D461 PolarHBondContact O-N 3.26Å
460T25.7Very low27Very low131 Ų131131.5 Ų131.580%0.80467%0.669SS**SBendtrans-83.117.3-165.4-12.10000115.8L462T460-L462 PolarHBondContact O-N 2.95Å
461D24.6Very low27.2Very low151 Ų151135.2 Ų135.281%0.80768%0.683SS**  trans-94.918.6-166.4-71.7-14.7000115.7P459P459-D461 VanDerWaalsContact C-N 3.33Å; P459-D461 PolarHBondContact O-N 3.26Å
462L30.1Very low27.5Very low156 Ų156132.8 Ų132.882%0.81767%0.668SS**  trans-124.382.3173.8-75.9166.4000110.2T460 V464T460-L462 PolarHBondContact O-N 2.95Å; L462-V464 VanDerWaalsContact C-N 3.27Å; L462-V464 HydrophobicContact CB-CG2 4.31Å; L462-V464 PolarHBondContact O-N 3.3Å
463D27Very low27.6Very low160 Ų160134.3 Ų134.386%0.85668%0.684SS**  trans-63.687.6164.5-89-26.5000109.7
464V31.5Very low27.8Very low87 Ų87135.5 Ų135.553%0.52768%0.683SS.*  trans-108.261.4169.4-167.30000108.6L462 F469L462-V464 VanDerWaalsContact C-N 3.27Å; L462-V464 HydrophobicContact CB-CG2 4.31Å; L462-V464 PolarHBondContact O-N 3.3Å; V464-F469 HydrophobicContact CG1-CD2 4.13Å; V464-F469 HydrophobicContact CG1-CE2 3.82Å; V464-F469 HydrophobicContact CG1-CZ 4.33Å
465E25.3Very low27.7Very low164 Ų164138.4 Ų138.477%0.76668%0.677SS**  trans-97.480.2168.1-69.8-151.3157.800110.2R475E465-R475 IonicContact OE1-NH2 3.68Å
466G27.6Very low28.1Very low13 Ų13135.5 Ų135.513%0.13466%0.661CS.*  trans-110.6154.4174.100000113.1W468 F469G466-W468 PolarHBondContact O-N 3.35Å; G466-F469 PolarHBondContact O-N 3.08Å; G466-F469 VanDerWaalsContact O-N 3.14Å
467P25.1Very low28.3Very low93 Ų93132.3 Ų132.360%0.60464%0.642SS**G310 helixtrans-63.9-19.6-170.5-13.424.4000115N43N43-P467 WeakPolarHBondContact ND2-CD 3.4Å
468W33.1Very low28.6Very low159 Ų159124.4 Ų124.460%0.60262%0.624SS**G310 helixtrans-80.4-17.6-179.3-60.9109.4000113.7L60 G466L60-W468 HydrophobicContact CD1-CE3 4.43Å; L60-W468 HydrophobicContact CD1-CH2 3.87Å; L60-W468 HydrophobicContact CD1-CZ3 3.62Å; G466-W468 PolarHBondContact O-N 3.35Å
469F30.3Very low28.9Very low107 Ų107122.9 Ų122.947%0.46961%0.608SS.*G310 helixtrans-90.6-2.5178.1-66-80.1000113.3V464 G466 H471V464-F469 HydrophobicContact CG1-CD2 4.13Å; V464-F469 HydrophobicContact CG1-CE2 3.82Å; V464-F469 HydrophobicContact CG1-CZ 4.33Å; G466-F469 PolarHBondContact O-N 3.08Å; G466-F469 VanDerWaalsContact O-N 3.14Å; F469-H471 VanDerWaalsContact C-N 3.33Å; F469-H471 PolarHBondContact O-N 2.69Å
470R27.1Very low29.1Very low206 Ų206120.5 Ų120.578%0.77759%0.592SS**G310 helixtrans-75.3-15.2177.4-77.8-168.6-171.4178.83.5114.9
471H30Very low29.4Very low172 Ų172119.6 Ų119.680%0.79657%0.574SS**SBendtrans-117.2-8.3-175.8-68.1-46.8000114.6F469F469-H471 VanDerWaalsContact C-N 3.33Å; F469-H471 PolarHBondContact O-N 2.69Å
472Y33.7Very low29.7Very low90 Ų90113.8 Ų113.835%0.35355%0.546SS..SBendtrans-115.995.2162.6-77.5-86.6000106.2I68 I72 F474I68-Y472 WeakPolarHBondContact CG2-OH 3.37Å; I72-Y472 HydrophobicContact CD1-CE2 4.33Å; I72-Y472 VanDerWaalsContact CD1-OH 3.28Å; I72-Y472 WeakPolarHBondContact CD1-OH 3.39Å; I72-Y472 HydrophobicContact CG1-CE1 4.36Å; I72-Y472 WeakPolarHBondContact CG1-OH 3.35Å; Y472-F474 PolarHBondContact O-N 3.38Å
473D28.3Very low29.7Very low131 Ų131111.9 Ų111.970%0.70154%0.536SS*.  trans-58.884.2163.2-80.4-41.6000108.2R475D473-R475 PolarHBondContact O-N 2.59Å
474F32.7Very low29.8Very low165 Ų165106.9 Ų106.972%0.72451%0.514SS*.  trans-76.26.8155-144.2-93.8000109.7Y472 Q476Y472-F474 PolarHBondContact O-N 3.38Å; F474-Q476 PolarHBondContact O-N 2.82Å
475R26.9Very low29.8Very low173 Ų173110 Ų11065%0.65352%0.522SS*.SBendtrans-72.178.3152.4-70.5-167.3-178.9-160.64.9109.1E465 D473E465-R475 IonicContact OE1-NH2 3.68Å; D473-R475 PolarHBondContact O-N 2.59Å
476Q34.6Very low30.1Very low67 Ų67110.1 Ų110.131%0.31352%0.523SS..  trans54107.7137.4-52.7143.9-16.800117.4W452 F474W452-Q476 HydrophobicContact CB-CB 3.37Å; W452-Q476 HydrophobicContact CB-CG 3.79Å; W452-Q476 HydrophobicContact CD2-CB 3.63Å; W452-Q476 HydrophobicContact CD2-CG 3.2Å; W452-Q476 VanDerWaalsContact CD2-NE2 3.28Å; W452-Q476 HydrophobicContact CE3-CB 3.47Å; W452-Q476 VanDerWaalsContact CE3-CB 3.47Å; W452-Q476 HydrophobicContact CE3-CG 3.29Å; W452-Q476 HydrophobicContact CG-CB 3.66Å; W452-Q476 HydrophobicContact CG-CG 3.48Å; W452-Q476 VanDerWaalsContact CG-CG 3.48Å; W452-Q476 VanDerWaalsContact CG-NE2 3.34Å; W452-Q476 HydrophobicContact CH2-CG 4.19Å; W452-Q476 HydrophobicContact CZ2-CG 4.17Å; W452-Q476 HydrophobicContact CZ3-CB 4.26Å; W452-Q476 HydrophobicContact CZ3-CG 3.79Å; W452-Q476 VanDerWaalsContact NE1-CD 3.35Å; F474-Q476 PolarHBondContact O-N 2.82Å
477S28.4Very low30.2Very low59 Ų59115.2 Ų115.241%0.41355%0.547SS..EExtended strand (participates in β ladder)trans-146.1112.8158.8-32.40000108.2
478C29.8Very low30.5Very low79 Ų79118.4 Ų118.453%0.53455%0.554SS.*EExtended strand (participates in β ladder)trans-96.7125163.6-68.90000106.7V480C478-V480 HydrophobicContact CB-CG2 4.21Å; C478-V480 PolarHBondContact O-N 3.47Å
479W32.1Very low30.2Very low105 Ų105118.3 Ų118.340%0.39856%0.564SS.*EExtended strand (participates in β ladder)trans-76.6116163.7-70.891000106.3W447 F449W447-W479 HydrophobicContact CB-CE3 3.7Å; W447-W479 HydrophobicContact CB-CZ3 4.16Å; W447-W479 HydrophobicContact CE3-CB 3.67Å; W447-W479 HydrophobicContact CZ3-CB 4.14Å; W447-W479 WeakPolarHBondContact CZ3-O 3.3Å; F449-W479 HydrophobicContact CD2-CZ2 4.47Å
480V28.1Very low29.9Very low63 Ų63117.2 Ų117.238%0.38258%0.575SS.*EExtended strand (participates in β ladder)trans-111.8133.4174.8-174.60000106.9R448 L450 C478 A482R448-V480 PolarHBondContact N-O 3.25Å; R448-V480 PolarHBondContact O-N 2.96Å; L450-V480 HydrophobicContact CD1-CB 3.87Å; L450-V480 HydrophobicContact CD1-CG2 3.76Å; C478-V480 HydrophobicContact CB-CG2 4.21Å; C478-V480 PolarHBondContact O-N 3.47Å; V480-A482 PolarHBondContact O-N 3.24Å
481R32Very low29.9Very low112 Ų112113.1 Ų113.142%0.42358%0.575SS.*EExtended strand (participates in β ladder)trans-66.2132.1173.6-165.9174.6-179.2-168.1-3.4108.6E118 I483E118-R481 WeakPolarHBondContact OE1-CB 3.48Å; R481-I483 PolarHBondContact O-N 3.39Å
482A30Very low29.7Very low28 Ų28110.8 Ų110.823%0.23158%0.577CS.*  trans-64.7111.7177.300000109.5S446 R448 V480S446-A482 WeakPolarHBondContact O-CB 3.31Å; S446-A482 PolarHBondContact O-N 3.42Å; R448-A482 HydrophobicContact CG-CB 4.1Å; V480-A482 PolarHBondContact O-N 3.24Å
483I30.1Very low29.2Very low116 Ų116117.2 Ų117.260%0.59560%0.601SS**  trans-83.6135.1170.7-59.3171.2000107.2R481 D487R481-I483 PolarHBondContact O-N 3.39Å; I483-D487 HydrophobicContact CG2-CB 3.7Å
484S29.8Very low28.9Very low56 Ų56119.4 Ų119.439%0.39261%0.607SS.*  trans-63.6145.4178.3-171.20000110E486 D487S484-E486 PolarHBondContact O-N 3Å; S484-E486 VanDerWaalsContact O-N 3.07Å; S484-D487 PolarHBondContact O-N 3.44Å
485Q30.2Very low28.6Very low152 Ų152120.2 Ų120.271%0.7164%0.644SS**G310 helixtrans-63.3-14.9-179.4-159.1171.8-3.500112.8
486E31.2Very low28.7Very low167 Ų167117.6 Ų117.678%0.7864%0.643SS**G310 helixtrans-72.1-23173.6-78.4171.8150.300113.8S484 Q488S484-E486 PolarHBondContact O-N 3Å; S484-E486 VanDerWaalsContact O-N 3.07Å; E486-Q488 VanDerWaalsContact C-N 3.35Å; E486-Q488 PolarHBondContact O-N 3.47Å
487D31.8Very low28.4Very low119 Ų119120.3 Ų120.364%0.63666%0.661SS**G310 helixtrans-86.8-1.9-179.6-66.9-37.1000113.4I483 S484I483-D487 HydrophobicContact CG2-CB 3.7Å; S484-D487 PolarHBondContact O-N 3.44Å
488Q30.4Very low28.4Very low161 Ų161123.7 Ų123.775%0.75268%0.675SS**G310 helixtrans-95.9-4.7175.9-73.5-167.3-100114.2E486E486-Q488 VanDerWaalsContact C-N 3.35Å; E486-Q488 PolarHBondContact O-N 3.47Å
489L26.9Very low28.3Very low156 Ų156126.3 Ų126.382%0.81768%0.683SS**SBendtrans-107.520-173.6-76.8173.5000115.9
490A24.6Very low28.1Very low84 Ų84127.6 Ų127.669%0.69470%0.701SS**SBendtrans-141.3122.2168.500000109.9
491P26.7Very low28.1Very low121 Ų121131.9 Ų131.979%0.78672%0.722SS**  cis-128.8119.40.833-11.9000112.9
492C25.5Very low27.8Very low122 Ų122133.4 Ų133.482%0.82474%0.743SS**  trans-11072.8154.3-92.30000107.9
493W22.3Very low27.6Very low226 Ų226141.5 Ų141.586%0.85678%0.783SS**  trans-150.6122.6164.3-80.797000111
494Q22.8Very low27.4Very low177 Ų177143.6 Ų143.683%0.82780%0.798SS**  trans94.6112.7149.8-67.5175.9-31.400121
495A26.9Very low27.2Very low182 Ų182151.5 Ų151.5100%1.50484%0.835SS**  trans78.70151.900000118.7

Retrieved 495 of 495 residues in 270 ms (Link to these results)

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