A0A060WF39_ONCMY Loading...

Solute carrier family 7 member 4

AlphaFold DB , UniProt , Accession A0A060WF39, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110525572, Length 675 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
1M36.7Very low49.4Very low178 Ų178105.2 Ų105.288%0.87766%0.662SS**  099.10-82.8-172.2-178.200112.4
2A34.3Very low51.2Low89 Ų89102.1 Ų102.174%0.73664%0.641SS**  trans-68.9144.1178.300000112.9C4A2-C4 PolarHBondContact O-N 2.73Å; A2-C4 VanDerWaalsContact O-N 3.09Å
3T38.8Very low52.7Low144 Ų144102.2 Ų102.288%0.88362%0.622SS**  trans-65.3102.9174.544.90000110.2
4C38.2Very low54.3Low60 Ų60101.5 Ų101.541%0.40561%0.606SS.*  trans-85.1123.1-179.4-1740000110.6A2 C8A2-C4 PolarHBondContact O-N 2.73Å; A2-C4 VanDerWaalsContact O-N 3.09Å; C4-C8 HydrophobicContact CB-CB 4.03Å; C4-C8 WeakPolarHBondContact CB-SG 3.47Å; C4-C8 WeakPolarHBondContact SG-CB 3.37Å; C4-C8 CovalentContact SG-SG 2.06Å; C4-C8 PolarHBondContact SG-SG 3.47Å
5G44.6Very low55.6Low57 Ų5799.5 Ų99.559%0.58860%0.598SS**  trans-62.1174.9172.600000113.7G7 C8G5-G7 PolarHBondContact O-N 3.09Å; G5-C8 PolarHBondContact O-N 2.75Å
6R42.6Very low56.7Low248 Ų24896.6 Ų96.694%0.93658%0.576SS**THydrogen-bonded Turntrans-50.32.8-164.7-74.7-179.5-179.6178.60.3118.9R13R6-R13 VanDerWaalsContact C-NH2 3.27Å; R6-R13 PolarHBondContact O-NH2 3.11Å
7G45.1Very low57.9Low80 Ų8096.2 Ų96.283%0.82556%0.562SS**THydrogen-bonded Turntrans-100.8-3.8179.100000117.8G5G5-G7 PolarHBondContact O-N 3.09Å
8C53.7Low59Low33 Ų3392.1 Ų92.122%0.22354%0.537CS..SBendtrans-70.8144.8-178.2-94.90000114.3C4 G5 V12C4-C8 HydrophobicContact CB-CB 4.03Å; C4-C8 WeakPolarHBondContact CB-SG 3.47Å; C4-C8 WeakPolarHBondContact SG-CB 3.37Å; C4-C8 CovalentContact SG-SG 2.06Å; C4-C8 PolarHBondContact SG-SG 3.47Å; G5-C8 PolarHBondContact O-N 2.75Å; C8-V12 HydrophobicContact CB-CG1 4.48Å
9V69.6Low60.2Low96 Ų9691.2 Ų91.258%0.58253%0.53SS*.  trans-49.9138.2176.91800000110.9A11 V12 R13V9-A11 HydrophobicContact CG1-CB 4.19Å; V9-A11 PolarHBondContact O-N 3.4Å; V9-V12 HydrophobicContact CB-CG2 4.28Å; V9-V12 PolarHBondContact O-N 3.47Å; V9-R13 PolarHBondContact O-N 3.15Å
10P71.2Confident61.2Low110 Ų11087.8 Ų87.871%0.71451%0.508SS*.Hα-helixtrans-50.4-35.8-179-29.334.9000114.4R13 F14P10-R13 PolarHBondContact O-N 3.49Å; P10-F14 WeakPolarHBondContact O-CB 3.37Å; P10-F14 PolarHBondContact O-N 3.4Å
11A68.2Low62Low62 Ų6286.4 Ų86.451%0.51250%0.499SS..Hα-helixtrans-63.4-41.6176.500000113.2V9 R13 F14 C15V9-A11 HydrophobicContact CG1-CB 4.19Å; V9-A11 PolarHBondContact O-N 3.4Å; A11-R13 VanDerWaalsContact C-N 3.35Å; A11-F14 PolarHBondContact O-N 3.29Å; A11-C15 PolarHBondContact O-N 3.31Å; A11-C15 PolarHBondContact O-SG 3.19Å
12V72.1Confident64Low68 Ų6879.7 Ų79.741%0.41247%0.465SS..Hα-helixtrans-67.1-40.7177.5177.60000110.3C8 V9 F14 C15 Q16C8-V12 HydrophobicContact CB-CG1 4.48Å; V9-V12 HydrophobicContact CB-CG2 4.28Å; V9-V12 PolarHBondContact O-N 3.47Å; V12-F14 VanDerWaalsContact C-N 3.32Å; V12-F14 PolarHBondContact O-N 3.22Å; V12-C15 PolarHBondContact O-N 3.46Å; V12-Q16 WeakPolarHBondContact O-CB 3.3Å; V12-Q16 WeakPolarHBondContact O-CG 3.49Å; V12-Q16 PolarHBondContact O-N 3.31Å
13R70.6Confident65.6Low103 Ų10379.7 Ų79.739%0.38946%0.455SS..Hα-helixtrans-66.6-35177.3-150.9-178-76.7174.7-1.2111.6R6 V9 P10 A11 R17R6-R13 VanDerWaalsContact C-NH2 3.27Å; R6-R13 PolarHBondContact O-NH2 3.11Å; V9-R13 PolarHBondContact O-N 3.15Å; P10-R13 PolarHBondContact O-N 3.49Å; A11-R13 VanDerWaalsContact C-N 3.35Å; R13-R17 WeakPolarHBondContact O-CG 2.86Å; R13-R17 PolarHBondContact O-N 3.27Å; R13-R17 VanDerWaalsContact O-N 3.12Å
14F74.8Confident66.8Low93 Ų9375.2 Ų75.241%0.40843%0.426SS..Hα-helixtrans-66.9-48.2172.8-175.8-104.4000111.8P10 A11 V12 Q16 R17 L18 F609 I613P10-F14 WeakPolarHBondContact O-CB 3.37Å; P10-F14 PolarHBondContact O-N 3.4Å; A11-F14 PolarHBondContact O-N 3.29Å; V12-F14 VanDerWaalsContact C-N 3.32Å; V12-F14 PolarHBondContact O-N 3.22Å; F14-Q16 VanDerWaalsContact C-N 3.29Å; F14-Q16 PolarHBondContact O-N 2.93Å; F14-R17 WeakPolarHBondContact O-CB 3.35Å; F14-R17 PolarHBondContact O-N 3.15Å; F14-R17 VanDerWaalsContact O-N 3.12Å; F14-L18 HydrophobicContact CD1-CD1 3.97Å; F14-L18 HydrophobicContact CE1-CD1 3.56Å; F14-L18 HydrophobicContact CE1-CG 4.34Å; F14-L18 HydrophobicContact CZ-CD1 4.04Å; F14-L18 WeakPolarHBondContact O-CG 3.32Å; F14-L18 PolarHBondContact O-N 3.34Å; F14-F609 HydrophobicContact CZ-CD1 4.46Å; F14-F609 AromaticContact CZ-CE1 3.84Å; F14-F609 HydrophobicContact CZ-CE1 3.84Å; F14-I613 HydrophobicContact CD2-CD1 4.46Å; F14-I613 HydrophobicContact CE2-CD1 3.94Å
15C73.1Confident67.8Low71 Ų7177.1 Ų77.148%0.4843%0.432SS..Hα-helixtrans-60-37.8174.8-71.10000112.7A11 V12 L18 N19A11-C15 PolarHBondContact O-N 3.31Å; A11-C15 PolarHBondContact O-SG 3.19Å; V12-C15 PolarHBondContact O-N 3.46Å; C15-L18 PolarHBondContact O-N 3.47Å; C15-N19 PolarHBondContact O-N 2.96Å
16Q74.1Confident68.1Low54 Ų5481.3 Ų81.325%0.25244%0.441SS..Hα-helixtrans-62.4-42.2174.3-78.8173.7-17.200112.1V12 F14 L18 N19V12-Q16 WeakPolarHBondContact O-CB 3.3Å; V12-Q16 WeakPolarHBondContact O-CG 3.49Å; V12-Q16 PolarHBondContact O-N 3.31Å; F14-Q16 VanDerWaalsContact C-N 3.29Å; F14-Q16 PolarHBondContact O-N 2.93Å; Q16-L18 VanDerWaalsContact C-N 3.27Å; Q16-L18 PolarHBondContact O-N 3.22Å; Q16-N19 PolarHBondContact O-N 3.01Å
17R77Confident68.8Low90 Ų9074.3 Ų74.334%0.3442%0.422SS..Hα-helixtrans-61.4-35.4175.9-74-179.6178-177-1.1112.7R13 F14 R20R13-R17 WeakPolarHBondContact O-CG 2.86Å; R13-R17 PolarHBondContact O-N 3.27Å; R13-R17 VanDerWaalsContact O-N 3.12Å; F14-R17 WeakPolarHBondContact O-CB 3.35Å; F14-R17 PolarHBondContact O-N 3.15Å; F14-R17 VanDerWaalsContact O-N 3.12Å; R17-R20 WeakPolarHBondContact O-CD 3.49Å
18L77.8Confident69.6Low21 Ų2173.1 Ų73.111%0.1140%0.397CS..Hα-helixtrans-75.7-29.7-178.6-64.5-178.7000113.8F14 C15 Q16 E112 I113 Y608 F609 I613F14-L18 HydrophobicContact CD1-CD1 3.97Å; F14-L18 HydrophobicContact CE1-CD1 3.56Å; F14-L18 HydrophobicContact CE1-CG 4.34Å; F14-L18 HydrophobicContact CZ-CD1 4.04Å; F14-L18 WeakPolarHBondContact O-CG 3.32Å; F14-L18 PolarHBondContact O-N 3.34Å; C15-L18 PolarHBondContact O-N 3.47Å; Q16-L18 VanDerWaalsContact C-N 3.27Å; Q16-L18 PolarHBondContact O-N 3.22Å; L18-E112 PolarHBondContact O-N 2.92Å; L18-I113 HydrophobicContact CB-CB 4.38Å; L18-I113 HydrophobicContact CB-CG2 4.2Å; L18-I113 HydrophobicContact CD1-CD1 4.39Å; L18-I113 HydrophobicContact CD2-CB 4.38Å; L18-I113 HydrophobicContact CD2-CD1 4.12Å; L18-I113 WeakPolarHBondContact O-CG2 3.2Å; L18-I113 PolarHBondContact O-N 3.37Å; L18-Y608 HydrophobicContact CD2-CE1 3.68Å; L18-F609 HydrophobicContact CD2-CE1 4.09Å; L18-I613 HydrophobicContact CD2-CD1 3.84Å
19N81.1Confident69.9Low76 Ų7674.7 Ų74.741%0.40640%0.402SS..THydrogen-bonded Turntrans-102.923.8-175.3-74.5-10.8000113.5C15 Q16 L21C15-N19 PolarHBondContact O-N 2.96Å; Q16-N19 PolarHBondContact O-N 3.01Å; N19-L21 PolarHBondContact O-N 2.92Å
20R80.5Confident69.3Low23 Ų2374.3 Ų74.39%0.08740%0.399CS..PPolyproline II helixtrans-61.8131.2174.6-71.7170.5173.4161.1-10.7110.5R17 G111 E112 E622R17-R20 WeakPolarHBondContact O-CD 3.49Å; R20-G111 CarbonylContact O-C 3.49Å; R20-G111 VanDerWaalsContact O-CA 3.25Å; R20-G111 WeakPolarHBondContact O-CA 3.34Å; R20-E112 HydrophobicContact CB-CB 4.14Å; R20-E112 WeakPolarHBondContact CD-OE2 3.17Å; R20-E112 PolarHBondContact O-N 3.49Å; R20-E622 IonicContact CZ-OE2 2.67Å; R20-E622 VanDerWaalsContact CZ-OE2 3.3Å; R20-E622 IonicContact NE-OE1 3.82Å; R20-E622 IonicContact NE-OE2 3.95Å; R20-E622 PolarHBondContact NE-OE2 3.49Å; R20-E622 IonicContact NH2-OE2 3.86Å; R20-E622 PolarHBondContact NH2-OE2 3.37Å
21L78.6Confident68.8Low59 Ų5970.6 Ų70.631%0.30937%0.374SS..PPolyproline II helixtrans-101.5136.8177.5-69.9162.3000109N19 T23 V108N19-L21 PolarHBondContact O-N 2.92Å; L21-T23 PolarHBondContact O-N 3.35Å; L21-V108 WeakPolarHBondContact CD2-O 3.18Å
22K77.8Confident68.5Low37 Ų3772.7 Ų72.716%0.16139%0.385CS..PPolyproline II helixtrans-71.1120175.8-177.8157.9174.1164.30109.7M104 Y107 D350K22-M104 HydrophobicContact CD-SD 3.8Å; K22-Y107 HydrophobicContact CB-CD1 3.94Å; K22-Y107 HydrophobicContact CB-CD2 3.76Å; K22-Y107 HydrophobicContact CB-CE1 4.2Å; K22-Y107 HydrophobicContact CB-CE2 4.02Å; K22-Y107 HydrophobicContact CB-CG 3.71Å; K22-Y107 HydrophobicContact CD-CD1 3.73Å; K22-Y107 HydrophobicContact CD-CE1 3.93Å; K22-Y107 HydrophobicContact CD-CG 4.3Å; K22-Y107 HydrophobicContact CG-CD1 4.49Å; K22-Y107 PolarHBondContact N-O 3.18Å; K22-Y107 VanDerWaalsContact N-O 3.17Å; K22-D350 IonicContact NZ-OD1 3.68Å; K22-D350 PolarHBondContact NZ-OD1 3.44Å; K22-D350 IonicContact NZ-OD2 2.78Å; K22-D350 PolarHBondContact NZ-OD2 2.91Å
23T68.9Low68.2Low88 Ų8871.8 Ų71.854%0.5438%0.377SS..PPolyproline II helixtrans-81.8122.5173.154.20000109.4L21L21-T23 PolarHBondContact O-N 3.35Å
24L64.3Low68.3Low50 Ų5075.3 Ų75.326%0.26240%0.395SS..PPolyproline II helixtrans-81128.6175.4-66.6158.4000108.2L28 V96 R98 V108L24-L28 HydrophobicContact CB-CD2 3.79Å; L24-L28 HydrophobicContact CD1-CD2 3.92Å; L24-L28 HydrophobicContact CD2-CD2 3.8Å; L24-L28 HydrophobicContact CG-CD2 4.03Å; L24-V96 HydrophobicContact CD1-CG1 4.08Å; L24-V96 HydrophobicContact CD1-CG2 4.24Å; L24-V96 HydrophobicContact CD2-CG1 4.1Å; L24-R98 HydrophobicContact CD2-CG 4.5Å; L24-V108 HydrophobicContact CD1-CG1 3.85Å; L24-V108 HydrophobicContact CD1-CG2 3.86Å; L24-V108 HydrophobicContact CD2-CG2 4.28Å; L24-V108 HydrophobicContact CG-CG2 4.09Å
25D58.3Low68.5Low101 Ų10174.4 Ų74.454%0.5439%0.389SS..PPolyproline II helixtrans-61.7150.5172-70.8-43.1000110.1D27 R621D25-D27 PolarHBondContact O-N 3.27Å; D25-R621 IonicContact OD1-NH2 2.8Å; D25-R621 PolarHBondContact OD1-NH2 3.37Å; D25-R621 IonicContact OD2-NH2 3.3Å
26D50.6Low68.8Low145 Ų14574 Ų7478%0.77539%0.387SS*.SBendtrans-60.4-15.5-169.9-69.3-32.6000113.4K420D26-K420 IonicContact OD1-NZ 2.57Å; D26-K420 PolarHBondContact OD1-NZ 3.43Å; D26-K420 IonicContact OD2-NZ 3.32Å; D26-K420 PolarHBondContact OD2-NZ 2.66Å
27D58.5Low69.2Low100 Ų10072.3 Ų72.354%0.53538%0.379SS..  trans-108.172.1177.7-138.4-13.3000112.3D25 M29 V30D25-D27 PolarHBondContact O-N 3.27Å; D27-M29 PolarHBondContact O-N 3.18Å; D27-V30 HydrophobicContact CB-CG2 3.79Å; D27-V30 PolarHBondContact O-N 3.36Å; D27-V30 VanDerWaalsContact O-N 3.08Å; D27-V30 WeakPolarHBondContact OD2-CG2 3.48Å
28L60Low69.7Low56 Ų5670.4 Ų70.429%0.29338%0.378SS..THydrogen-bonded Turntrans-53.6-16.1175-74.7168.7000113.9L24L24-L28 HydrophobicContact CB-CD2 3.79Å; L24-L28 HydrophobicContact CD1-CD2 3.92Å; L24-L28 HydrophobicContact CD2-CD2 3.8Å; L24-L28 HydrophobicContact CG-CD2 4.03Å
29M60.2Low70.3Confident66 Ų6673 Ų7333%0.32539%0.39SS..THydrogen-bonded Turntrans-90.6-13.3-177.8-65.7-67.7-179.800114.2D27 T31 R35 Q265D27-M29 PolarHBondContact O-N 3.18Å; M29-T31 PolarHBondContact O-N 3.24Å; M29-R35 PolarHBondContact O-NH2 3.3Å; M29-R35 PolarHBondContact SD-NH1 3.36Å; M29-R35 PolarHBondContact SD-NH2 2.87Å; M29-Q265 HydrophobicContact CE-CG 4.45Å; M29-Q265 VanDerWaalsContact CE-NE2 3.27Å
30V57.8Low70.6Confident88 Ų8874 Ų7453%0.53340%0.399SS..  trans-79.3102.6178.8179.20000109.6D27 R98D27-V30 HydrophobicContact CB-CG2 3.79Å; D27-V30 PolarHBondContact O-N 3.36Å; D27-V30 VanDerWaalsContact O-N 3.08Å; D27-V30 WeakPolarHBondContact OD2-CG2 3.48Å; V30-R98 VanDerWaalsContact O-CZ 3.26Å; V30-R98 PolarHBondContact O-NH1 2.95Å; V30-R98 VanDerWaalsContact O-NH1 3.13Å; V30-R98 PolarHBondContact O-NH2 3.2Å
31T61.4Low70.8Confident31 Ų3175 Ų7519%0.1941%0.406CS..  trans-111.9147.9-177.3570000111.4M29 M33 E259M29-T31 PolarHBondContact O-N 3.24Å; T31-M33 VanDerWaalsContact C-N 3.27Å; T31-M33 PolarHBondContact OG1-O 3.29Å; T31-E259 HydrophobicContact CG2-CB 4.05Å; T31-E259 HydrophobicContact CG2-CG 3.8Å
32S61.8Low71.2Confident107 Ų10772.1 Ų72.175%0.74839%0.391SS*.SBendtrans-74-22171600000112.2
33M65.4Low71.8Confident49 Ų4970.9 Ų70.924%0.24139%0.388CS..SBendtrans-94.1148179.5-60.1-146.7-76.100112.8T31 T99 E259 E260T31-M33 VanDerWaalsContact C-N 3.27Å; T31-M33 PolarHBondContact OG1-O 3.29Å; M33-T99 WeakPolarHBondContact CE-OG1 3.42Å; M33-E259 HydrophobicContact CE-CB 4.01Å; M33-E260 HydrophobicContact CB-CG 4.17Å; M33-E260 HydrophobicContact CE-CG 3.69Å; M33-E260 WeakPolarHBondContact CE-OE1 3.35Å; M33-E260 HydrophobicContact SD-CG 4.12Å
34K72.3Confident72.5Confident177 Ų17769.9 Ų69.977%0.7738%0.378SS*.  trans-78126.3178.8-175.7178.7-178.6179.10109.9C36K34-C36 PolarHBondContact O-N 3.24Å; K34-C36 VanDerWaalsContact O-N 3.12Å
35R78.5Confident73.5Confident73 Ų7368.9 Ų68.928%0.27537%0.373SS..  trans-72.8100.3173.9-66.1179.1-177.1-164.6-7.9111.5M29 E259 E260 A261M29-R35 PolarHBondContact O-NH2 3.3Å; M29-R35 PolarHBondContact SD-NH1 3.36Å; M29-R35 PolarHBondContact SD-NH2 2.87Å; R35-E259 WeakPolarHBondContact CG-O 3.44Å; R35-E260 CarbonylContact C-O 3.43Å; R35-E260 VanDerWaalsContact CA-O 3.31Å; R35-E260 WeakPolarHBondContact CA-O 3.26Å; R35-A261 WeakPolarHBondContact CG-O 3.16Å
36C80.4Confident74.9Confident63 Ų6364 Ų6443%0.42635%0.347SS..  trans-125.8-23.8-177.753.90000114.2K34 E260 K262K34-C36 PolarHBondContact O-N 3.24Å; K34-C36 VanDerWaalsContact O-N 3.12Å; C36-E260 PolarHBondContact N-O 3.27Å; C36-K262 WeakPolarHBondContact O-CE 3.12Å
37L81.3Confident76.7Confident19 Ų1957.6 Ų57.610%0.09931%0.313CS..BIsolated β-bridgetrans-75.7128.5-174.4-63.5174.4000111.5D41 L42 E260 K262L37-D41 HydrophobicContact CD2-CB 3.99Å; L37-L42 HydrophobicContact CB-CD2 4.13Å; L37-L42 HydrophobicContact CB-CG 4.16Å; L37-L42 HydrophobicContact CD1-CD2 3.85Å; L37-E260 HydrophobicContact CD1-CB 3.64Å; L37-E260 HydrophobicContact CG-CB 4.02Å; L37-E260 PolarHBondContact N-O 3.38Å; L37-K262 PolarHBondContact O-N 3.45Å
38T88.9Confident77.9Confident50 Ų5053.1 Ų53.131%0.30729%0.29SS..  trans-87.1169.9171.269.50000111.1V40 D41 L42 K262T38-V40 VanDerWaalsContact C-N 3.25Å; T38-V40 PolarHBondContact O-N 3.41Å; T38-D41 WeakPolarHBondContact CB-OD2 3.1Å; T38-D41 PolarHBondContact N-OD2 2.9Å; T38-D41 PolarHBondContact O-N 2.93Å; T38-D41 PolarHBondContact OG1-N 3.27Å; T38-D41 PolarHBondContact OG1-OD2 3.02Å; T38-L42 WeakPolarHBondContact O-CG 3.12Å; T38-L42 PolarHBondContact O-N 2.93Å; T38-K262 HydrophobicContact CG2-CD 4.31Å
39M89.3Confident79.1Confident76 Ų7650.7 Ų50.737%0.37428%0.279SS..Hα-helixtrans-58.9-36.8176.6178.9-178.3157.600112.7L42 A43 A267 M270 I274M39-L42 PolarHBondContact O-N 2.92Å; M39-A43 WeakPolarHBondContact O-CB 3.28Å; M39-A43 PolarHBondContact O-N 3.33Å; M39-A267 HydrophobicContact CB-CB 4.15Å; M39-M270 HydrophobicContact CE-CB 3.44Å; M39-M270 VanDerWaalsContact CE-CB 3.44Å; M39-M270 HydrophobicContact CE-CG 4.37Å; M39-M270 HydrophobicContact SD-CB 3.95Å; M39-I274 HydrophobicContact CE-CD1 3.27Å
40V87.7Confident80.5Confident97 Ų9747.9 Ų47.959%0.58827%0.265SS*.Hα-helixtrans-69.4-43.1177.9178.80000110.4T38 L42 A43 L44T38-V40 VanDerWaalsContact C-N 3.25Å; T38-V40 PolarHBondContact O-N 3.41Å; V40-L42 VanDerWaalsContact C-N 3.29Å; V40-L42 PolarHBondContact O-N 3.23Å; V40-A43 PolarHBondContact O-N 2.94Å; V40-L44 HydrophobicContact CG1-CD1 4.02Å; V40-L44 HydrophobicContact CG1-CG 4.39Å; V40-L44 WeakPolarHBondContact O-CB 3.41Å; V40-L44 WeakPolarHBondContact O-CG 3.31Å; V40-L44 PolarHBondContact O-N 3.48Å
41D85Confident82Confident42 Ų4243.9 Ų43.923%0.22524%0.241CC..Hα-helixtrans-60.4-41.9176.6-54.4-43.5000111.1L37 T38 L44 L45L37-D41 HydrophobicContact CD2-CB 3.99Å; T38-D41 WeakPolarHBondContact CB-OD2 3.1Å; T38-D41 PolarHBondContact N-OD2 2.9Å; T38-D41 PolarHBondContact O-N 2.93Å; T38-D41 PolarHBondContact OG1-N 3.27Å; T38-D41 PolarHBondContact OG1-OD2 3.02Å; D41-L44 PolarHBondContact O-N 3.2Å; D41-L45 VanDerWaalsContact O-CB 3.24Å; D41-L45 WeakPolarHBondContact O-CB 3.32Å; D41-L45 PolarHBondContact O-N 3.08Å
42L86.8Confident83.2Confident0 Ų042.5 Ų42.50%023%0.233CC..Hα-helixtrans-66-40.7176.3-70.5170000112.4L37 T38 M39 V40 L45 G46 I254 A261 A267 A271L37-L42 HydrophobicContact CB-CD2 4.13Å; L37-L42 HydrophobicContact CB-CG 4.16Å; L37-L42 HydrophobicContact CD1-CD2 3.85Å; T38-L42 WeakPolarHBondContact O-CG 3.12Å; T38-L42 PolarHBondContact O-N 2.93Å; M39-L42 PolarHBondContact O-N 2.92Å; V40-L42 VanDerWaalsContact C-N 3.29Å; V40-L42 PolarHBondContact O-N 3.23Å; L42-L45 PolarHBondContact O-N 3.3Å; L42-G46 PolarHBondContact O-N 3.38Å; L42-I254 HydrophobicContact CB-CG2 4.35Å; L42-I254 HydrophobicContact CD2-CG2 4.39Å; L42-A261 HydrophobicContact CD1-CB 3.84Å; L42-A267 HydrophobicContact CD1-CB 3.98Å; L42-A271 HydrophobicContact CB-CB 3.64Å
43A89.4Confident84.5Confident11 Ų1137.6 Ų37.69%0.09120%0.199CC..Hα-helixtrans-66.3-43.5177.300000111.4M39 V40 L45 G46 V47 A271M39-A43 WeakPolarHBondContact O-CB 3.28Å; M39-A43 PolarHBondContact O-N 3.33Å; V40-A43 PolarHBondContact O-N 2.94Å; A43-L45 VanDerWaalsContact C-N 3.34Å; A43-G46 PolarHBondContact O-N 3.15Å; A43-V47 WeakPolarHBondContact O-CG2 3.29Å; A43-V47 PolarHBondContact O-N 3.17Å; A43-A271 HydrophobicContact CB-CB 4.31Å
44L85.3Confident85.6Confident66 Ų6635.4 Ų35.435%0.34619%0.188SC..Hα-helixtrans-63.6-39.2174.3-72.6173.1000111.7V40 D41 V47 G48 L203V40-L44 HydrophobicContact CG1-CD1 4.02Å; V40-L44 HydrophobicContact CG1-CG 4.39Å; V40-L44 WeakPolarHBondContact O-CB 3.41Å; V40-L44 WeakPolarHBondContact O-CG 3.31Å; V40-L44 PolarHBondContact O-N 3.48Å; D41-L44 PolarHBondContact O-N 3.2Å; L44-V47 PolarHBondContact O-N 3.13Å; L44-G48 PolarHBondContact O-N 2.91Å; L44-L203 HydrophobicContact CD2-CD1 4.5Å
45L84.4Confident86.5Confident29 Ų2927 Ų2715%0.15215%0.152CC..Hα-helixtrans-61.2-45174.4-17568.8000111.4D41 L42 A43 G48 G49 V253 S257D41-L45 VanDerWaalsContact O-CB 3.24Å; D41-L45 WeakPolarHBondContact O-CB 3.32Å; D41-L45 PolarHBondContact O-N 3.08Å; L42-L45 PolarHBondContact O-N 3.3Å; A43-L45 VanDerWaalsContact C-N 3.34Å; L45-G48 PolarHBondContact O-N 2.8Å; L45-G49 PolarHBondContact O-N 2.89Å; L45-V253 HydrophobicContact CD1-CG1 4.45Å; L45-V253 HydrophobicContact CD2-CG1 3.98Å; L45-V253 HydrophobicContact CG-CG1 4Å; L45-S257 WeakPolarHBondContact CD2-OG 3.16Å
46G87.6Confident87.1Confident0 Ų023.5 Ų23.50%014%0.138CC..Hα-helixtrans-64.9-41.8176.300000113L42 A43 G49 M50L42-G46 PolarHBondContact O-N 3.38Å; A43-G46 PolarHBondContact O-N 3.15Å; G46-G49 PolarHBondContact O-N 3.41Å; G46-M50 VanDerWaalsContact O-CE 3.23Å; G46-M50 WeakPolarHBondContact O-CE 3.43Å; G46-M50 WeakPolarHBondContact O-CG 3.11Å; G46-M50 PolarHBondContact O-N 3.28Å
47V88.8Confident87.6Confident10 Ų1020.6 Ų20.66%0.06112%0.119CC..Hα-helixtrans-65.3-46.8177.1175.60000110.3A43 L44 G49 M50 V51 M278A43-V47 WeakPolarHBondContact O-CG2 3.29Å; A43-V47 PolarHBondContact O-N 3.17Å; L44-V47 PolarHBondContact O-N 3.13Å; V47-G49 PolarHBondContact O-N 2.92Å; V47-M50 PolarHBondContact O-N 3.17Å; V47-V51 HydrophobicContact CG1-CB 4.47Å; V47-V51 HydrophobicContact CG1-CG2 3.82Å; V47-V51 WeakPolarHBondContact O-CB 3.45Å; V47-V51 VanDerWaalsContact O-CG2 3.28Å; V47-V51 WeakPolarHBondContact O-CG2 3.29Å; V47-V51 PolarHBondContact O-N 3.49Å; V47-M278 HydrophobicContact CB-CE 4.02Å; V47-M278 HydrophobicContact CG1-CE 3.91Å; V47-M278 HydrophobicContact CG2-CE 3.11Å
48G84.7Confident88Confident5 Ų520.4 Ų20.45%0.05212%0.118CC..Hα-helixtrans-64.8-24.1175.600000113.7L44 L45 V332L44-G48 PolarHBondContact O-N 2.91Å; L45-G48 PolarHBondContact O-N 2.8Å; G48-V332 WeakPolarHBondContact O-CG2 3.34Å
49G84.8Confident88.1Confident6 Ų618 Ų186%0.06210%0.103CC..Hα-helixtrans-78.7-36.1173.400000113.7L45 G46 V47L45-G49 PolarHBondContact O-N 2.89Å; G46-G49 PolarHBondContact O-N 3.41Å; V47-G49 PolarHBondContact O-N 2.92Å
50M89Confident88.2Confident6 Ų614.4 Ų14.43%0.039%0.086CC..Hα-helixtrans-83-46.2177.8-69.7180-77.200112.1G46 V47 G52 F251 S275 L276 A279 Y283G46-M50 VanDerWaalsContact O-CE 3.23Å; G46-M50 WeakPolarHBondContact O-CE 3.43Å; G46-M50 WeakPolarHBondContact O-CG 3.11Å; G46-M50 PolarHBondContact O-N 3.28Å; V47-M50 PolarHBondContact O-N 3.17Å; M50-G52 PolarHBondContact O-N 3.26Å; M50-G52 VanDerWaalsContact O-N 3.08Å; M50-F251 HydrophobicContact CE-CB 4.29Å; M50-F251 HydrophobicContact SD-CB 3.91Å; M50-S275 VanDerWaalsContact CE-C 3.46Å; M50-S275 WeakPolarHBondContact CE-O 3.15Å; M50-L276 HydrophobicContact SD-CD1 3.55Å; M50-L276 VanDerWaalsContact SD-CD1 3.55Å; M50-A279 HydrophobicContact CB-CB 4.31Å; M50-A279 HydrophobicContact CE-CB 3.92Å; M50-A279 HydrophobicContact SD-CB 4.03Å; M50-Y283 PolarHBondContact O-OH 2.88Å
51V88.8Confident88.3Confident5 Ų511.7 Ų11.73%0.037%0.069CC..SBendtrans-8093.3-173.2179.10000110.2V47 L55 I206 A279V47-V51 HydrophobicContact CG1-CB 4.47Å; V47-V51 HydrophobicContact CG1-CG2 3.82Å; V47-V51 WeakPolarHBondContact O-CB 3.45Å; V47-V51 VanDerWaalsContact O-CG2 3.28Å; V47-V51 WeakPolarHBondContact O-CG2 3.29Å; V47-V51 PolarHBondContact O-N 3.49Å; V51-L55 HydrophobicContact CG1-CD1 4.2Å; V51-I206 HydrophobicContact CG1-CD1 3.3Å; V51-A279 HydrophobicContact CG2-CB 4.4Å
52G87.8Confident88.6Confident1 Ų19.8 Ų9.81%0.016%0.059CC..SBendtrans-152.7-123.3175.100000112.1M50 G54 L55 Y56M50-G52 PolarHBondContact O-N 3.26Å; M50-G52 VanDerWaalsContact O-N 3.08Å; G52-G54 PolarHBondContact O-N 3.24Å; G52-G54 VanDerWaalsContact O-N 3.14Å; G52-L55 PolarHBondContact O-N 2.93Å; G52-L55 VanDerWaalsContact O-N 3.08Å; G52-Y56 WeakPolarHBondContact O-CD2 3.3Å; G52-Y56 PolarHBondContact O-N 3.4Å
53S88.5Confident88.8Confident5 Ų59.8 Ų9.84%0.0356%0.059CC..Hα-helixtrans-58.2-27.918058.50000113.6V57 L58 Y246S53-V57 WeakPolarHBondContact O-CB 3.43Å; S53-V57 PolarHBondContact O-N 3.1Å; S53-L58 PolarHBondContact O-N 3.13Å; S53-Y246 WeakPolarHBondContact OG-CE1 3.49Å; S53-Y246 PolarHBondContact OG-OH 3.48Å
54G88.6Confident88.9Confident2 Ų212 Ų122%0.0217%0.066CC..Iπ-helixtrans-61.3-41175.200000113.2G52 L58 T59G52-G54 PolarHBondContact O-N 3.24Å; G52-G54 VanDerWaalsContact O-N 3.14Å; G54-L58 WeakPolarHBondContact O-CB 3.34Å; G54-T59 PolarHBondContact O-N 3.37Å; G54-T59 PolarHBondContact O-OG1 3.11Å
55L91.9Very high89.1Confident0 Ų012.9 Ų12.90%07%0.072CC..Iπ-helixtrans-78-46.2179.2-164.4135.5000111.4V51 G52 T59 I206 A282 Y283 V286 L305V51-L55 HydrophobicContact CG1-CD1 4.2Å; G52-L55 PolarHBondContact O-N 2.93Å; G52-L55 VanDerWaalsContact O-N 3.08Å; L55-T59 WeakPolarHBondContact O-CB 3.19Å; L55-T59 PolarHBondContact O-OG1 3.04Å; L55-T59 VanDerWaalsContact O-OG1 3.13Å; L55-I206 HydrophobicContact CD1-CD1 4.14Å; L55-I206 HydrophobicContact CD2-CG1 4.42Å; L55-A282 HydrophobicContact CD1-CB 4.33Å; L55-Y283 VanDerWaalsContact CA-CE1 3.5Å; L55-Y283 HydrophobicContact CB-CD1 4Å; L55-Y283 HydrophobicContact CB-CE1 3.42Å; L55-Y283 VanDerWaalsContact CB-CE1 3.42Å; L55-Y283 HydrophobicContact CD1-CD1 3.72Å; L55-Y283 HydrophobicContact CD1-CE1 3.71Å; L55-Y283 HydrophobicContact CG-CD1 3.95Å; L55-Y283 HydrophobicContact CG-CE1 3.86Å; L55-V286 HydrophobicContact CD1-CG2 4.36Å; L55-V286 HydrophobicContact CD2-CG1 4.05Å; L55-V286 HydrophobicContact CD2-CG2 4.38Å; L55-V286 HydrophobicContact CG-CG1 4.41Å; L55-L305 HydrophobicContact CD2-CD1 3.84Å
56Y91.4Very high89.3Confident0 Ų013.3 Ų13.30%08%0.075CC..Iπ-helixtrans-86.4-30.8-165.1-77.5-80.8000114.6G52 I209 L305 V321 S325 A328G52-Y56 WeakPolarHBondContact O-CD2 3.3Å; G52-Y56 PolarHBondContact O-N 3.4Å; Y56-I209 HydrophobicContact CE1-CD1 3.94Å; Y56-L305 HydrophobicContact CD1-CD1 3.66Å; Y56-L305 HydrophobicContact CE1-CD1 4.17Å; Y56-L305 HydrophobicContact CG-CD1 4.31Å; Y56-V321 HydrophobicContact CE1-CG1 4.32Å; Y56-S325 VanDerWaalsContact CG-CB 3.5Å; Y56-A328 HydrophobicContact CD2-CB 4.01Å; Y56-A328 HydrophobicContact CE2-CB 3.54Å
57V90.3Very high89.4Confident3 Ų313.3 Ų13.32%0.0188%0.076CC..Iπ-helixtrans-112.7-55.5-176.2179.90000109.8S53 T59 G60 T61 A136 Y140 M329 L387S53-V57 WeakPolarHBondContact O-CB 3.43Å; S53-V57 PolarHBondContact O-N 3.1Å; V57-T59 VanDerWaalsContact C-N 3.31Å; V57-T59 PolarHBondContact O-N 2.66Å; V57-G60 PolarHBondContact O-N 3.28Å; V57-T61 PolarHBondContact O-N 2.77Å; V57-T61 PolarHBondContact O-OG1 3.02Å; V57-A136 HydrophobicContact CG2-CB 4.09Å; V57-Y140 HydrophobicContact CG2-CD2 4.15Å; V57-M329 HydrophobicContact CG2-CE 3.47Å; V57-M329 VanDerWaalsContact CG2-CE 3.47Å; V57-L387 HydrophobicContact CG1-CD2 3.78Å
58L88.5Confident89.6Confident14 Ų1412.9 Ų12.97%0.0737%0.073CC..Iπ-helixtrans-63.2-36-170.8-161.672000113.2S53 G54 G60 T61 V62 T243 Y246 V391S53-L58 PolarHBondContact O-N 3.13Å; G54-L58 WeakPolarHBondContact O-CB 3.34Å; L58-G60 PolarHBondContact O-N 2.95Å; L58-T61 PolarHBondContact O-N 3.5Å; L58-V62 HydrophobicContact CD1-CG2 4.48Å; L58-V62 HydrophobicContact CG-CG2 4.01Å; L58-V62 WeakPolarHBondContact O-CB 3.04Å; L58-V62 VanDerWaalsContact O-CG2 3.3Å; L58-V62 WeakPolarHBondContact O-CG2 3.38Å; L58-V62 PolarHBondContact O-N 3.29Å; L58-T243 HydrophobicContact CD1-CG2 3.59Å; L58-T243 HydrophobicContact CD2-CG2 3.82Å; L58-T243 WeakPolarHBondContact CD2-O 3.49Å; L58-T243 HydrophobicContact CG-CG2 3.93Å; L58-Y246 HydrophobicContact CD2-CD1 3.71Å; L58-Y246 HydrophobicContact CD2-CG 4.42Å; L58-V391 HydrophobicContact CD1-CG1 4.5Å
59T91.6Very high89.9Confident1 Ų112.6 Ų12.61%0.0067%0.07CC..Hα-helixtrans-54.9-39.3174-62.70000112G54 L55 V57 A63 F75 S287 L290G54-T59 PolarHBondContact O-N 3.37Å; G54-T59 PolarHBondContact O-OG1 3.11Å; L55-T59 WeakPolarHBondContact O-CB 3.19Å; L55-T59 PolarHBondContact O-OG1 3.04Å; L55-T59 VanDerWaalsContact O-OG1 3.13Å; V57-T59 VanDerWaalsContact C-N 3.31Å; V57-T59 PolarHBondContact O-N 2.66Å; T59-A63 WeakPolarHBondContact O-CB 3.42Å; T59-A63 PolarHBondContact O-N 2.95Å; T59-F75 HydrophobicContact CG2-CE2 4.09Å; T59-F75 WeakPolarHBondContact OG1-CE2 3.13Å; T59-F75 VanDerWaalsContact OG1-CZ 3.3Å; T59-F75 WeakPolarHBondContact OG1-CZ 3.5Å; T59-S287 VanDerWaalsContact CG2-OG 3.24Å; T59-S287 WeakPolarHBondContact CG2-OG 3.11Å; T59-L290 HydrophobicContact CG2-CD2 3.92Å
60G90.8Very high90.3Very high0 Ų012.3 Ų12.30%07%0.068CC..Hα-helixtrans-69.5-49.9177.100000112.9V57 L58 V62 A63 K64 A304V57-G60 PolarHBondContact O-N 3.28Å; L58-G60 PolarHBondContact O-N 2.95Å; G60-V62 PolarHBondContact O-N 3.23Å; G60-A63 PolarHBondContact O-N 3.14Å; G60-K64 WeakPolarHBondContact O-CB 3.45Å; G60-K64 PolarHBondContact O-N 3.38Å; G60-A304 VanDerWaalsContact CA-CB 3.45Å
61T89.9Confident90.6Very high39 Ų3912 Ų1224%0.2397%0.066CC..Hα-helixtrans-57.9-48.3177.9-40.50000111.5V57 L58 A63 K64 D65 P301V57-T61 PolarHBondContact O-N 2.77Å; V57-T61 PolarHBondContact O-OG1 3.02Å; L58-T61 PolarHBondContact O-N 3.5Å; T61-A63 PolarHBondContact O-N 3.44Å; T61-K64 PolarHBondContact O-N 3.08Å; T61-D65 WeakPolarHBondContact O-CB 3.31Å; T61-D65 PolarHBondContact O-N 3.24Å; T61-P301 HydrophobicContact CG2-CB 4.37Å; T61-P301 PolarHBondContact OG1-O 3.09Å
62V90.9Very high90.9Very high2 Ų212.7 Ų12.71%0.0127%0.07CC..Hα-helixtrans-66.7-41.1-179.3174.60000111L58 G60 K64 T66 A67 V71 T243L58-V62 HydrophobicContact CD1-CG2 4.48Å; L58-V62 HydrophobicContact CG-CG2 4.01Å; L58-V62 WeakPolarHBondContact O-CB 3.04Å; L58-V62 VanDerWaalsContact O-CG2 3.3Å; L58-V62 WeakPolarHBondContact O-CG2 3.38Å; L58-V62 PolarHBondContact O-N 3.29Å; G60-V62 PolarHBondContact O-N 3.23Å; V62-K64 VanDerWaalsContact C-N 3.35Å; V62-K64 PolarHBondContact O-N 3.16Å; V62-T66 WeakPolarHBondContact CA-OG1 3.49Å; V62-T66 VanDerWaalsContact CG1-OG1 3.25Å; V62-T66 WeakPolarHBondContact CG1-OG1 3.41Å; V62-T66 PolarHBondContact O-N 3.39Å; V62-T66 PolarHBondContact O-OG1 3.16Å; V62-A67 HydrophobicContact CG1-CB 4.1Å; V62-A67 PolarHBondContact O-N 3.37Å; V62-V71 HydrophobicContact CB-CG2 4.17Å; V62-V71 HydrophobicContact CG1-CB 4.42Å; V62-V71 HydrophobicContact CG1-CG2 3.67Å; V62-T243 HydrophobicContact CG2-CG2 3.7Å
63A92.3Very high91.2Very high0 Ų016.1 Ų16.10%09%0.088CC..Iπ-helixtrans-62.2-41.1176.700000112.1T59 G60 T61 G68 V71 T291 L299T59-A63 WeakPolarHBondContact O-CB 3.42Å; T59-A63 PolarHBondContact O-N 2.95Å; G60-A63 PolarHBondContact O-N 3.14Å; T61-A63 PolarHBondContact O-N 3.44Å; A63-G68 WeakPolarHBondContact O-CA 3.34Å; A63-G68 PolarHBondContact O-N 3.1Å; A63-V71 HydrophobicContact CB-CB 4.39Å; A63-V71 HydrophobicContact CB-CG1 4.1Å; A63-T291 HydrophobicContact CB-CG2 4.14Å; A63-L299 HydrophobicContact CB-CD1 3.98Å
64K91.6Very high91.5Very high57 Ų5715.9 Ų15.925%0.2489%0.086CC..Iπ-helixtrans-76.3-50.3-179-169-170.5-168.5164.30113G60 T61 V62 H297 L299 P301G60-K64 WeakPolarHBondContact O-CB 3.45Å; G60-K64 PolarHBondContact O-N 3.38Å; T61-K64 PolarHBondContact O-N 3.08Å; V62-K64 VanDerWaalsContact C-N 3.35Å; V62-K64 PolarHBondContact O-N 3.16Å; K64-H297 WeakPolarHBondContact CE-O 3.04Å; K64-L299 HydrophobicContact CB-CB 4.5Å; K64-L299 WeakPolarHBondContact CD-O 3.37Å; K64-L299 WeakPolarHBondContact CE-O 3.48Å; K64-L299 PolarHBondContact NZ-O 2.97Å; K64-P301 HydrophobicContact CD-CG 3.71Å
65D89.5Confident91.8Very high86 Ų8615.8 Ų15.846%0.469%0.085SC..Iπ-helixtrans-99.8-15.4-161.3-59-36.9000113.7T61T61-D65 WeakPolarHBondContact O-CB 3.31Å; T61-D65 PolarHBondContact O-N 3.24Å
66T88.1Confident92Very high37 Ų3719.5 Ų19.523%0.22711%0.105CC..Iπ-helixtrans-133.5-42.5-170.664.90000116.3V62 F232 G236V62-T66 WeakPolarHBondContact CA-OG1 3.49Å; V62-T66 VanDerWaalsContact CG1-OG1 3.25Å; V62-T66 WeakPolarHBondContact CG1-OG1 3.41Å; V62-T66 PolarHBondContact O-N 3.39Å; V62-T66 PolarHBondContact O-OG1 3.16Å; T66-F232 WeakPolarHBondContact O-CB 3.12Å; T66-F232 WeakPolarHBondContact O-CD2 3.37Å; T66-F232 WeakPolarHBondContact O-CG 3.46Å; T66-G236 CarbonylContact O-C 3.51Å; T66-G236 WeakPolarHBondContact O-CA 3.48Å
67A90.1Very high92Very high1 Ų121.9 Ų21.91%0.00812%0.117CC..Iπ-helixtrans-120.4-22.3-16800000114.3V62 A70 V71V62-A67 HydrophobicContact CG1-CB 4.1Å; V62-A67 PolarHBondContact O-N 3.37Å; A67-A70 WeakPolarHBondContact O-CB 3.27Å; A67-A70 PolarHBondContact O-N 2.96Å; A67-V71 HydrophobicContact CB-CB 4.1Å
68G91.8Very high92.1Very high0 Ų021.8 Ų21.80%012%0.116CC..G310 helixtrans64.5-149.5-170.200000111.5A63 A70 V71A63-G68 WeakPolarHBondContact O-CA 3.34Å; A63-G68 PolarHBondContact O-N 3.1Å; G68-A70 PolarHBondContact O-N 3.5Å; G68-A70 VanDerWaalsContact O-N 3.16Å; G68-V71 WeakPolarHBondContact O-CB 3.42Å; G68-V71 VanDerWaalsContact O-CG1 3.31Å; G68-V71 WeakPolarHBondContact O-CG1 3.48Å; G68-V71 PolarHBondContact O-N 3.03Å
69P92.6Very high92.4Very high0 Ų021.4 Ų21.40%012%0.116CC..G310 helixtrans-58.2-24.1173.5-25.235.8000114.3V71 V72 W222 F229 W296P69-V71 PolarHBondContact O-N 2.79Å; P69-V72 PolarHBondContact O-N 2.96Å; P69-W222 HydrophobicContact CB-CG 4.3Å; P69-F229 CarbonylContact C-O 3.51Å; P69-F229 HydrophobicContact CB-CD2 3.92Å; P69-F229 HydrophobicContact CB-CE2 4.32Å; P69-F229 WeakPolarHBondContact CB-O 3.3Å; P69-F229 WeakPolarHBondContact CD-O 3.19Å; P69-W296 HydrophobicContact CG-CG 4.48Å
70A93.4Very high92.4Very high0 Ų025.7 Ų25.70%014%0.138CC..G310 helixtrans-70.42.7175.400000114A67 G68 V72 L73 S74 F229 A230 V237A67-A70 WeakPolarHBondContact O-CB 3.27Å; A67-A70 PolarHBondContact O-N 2.96Å; G68-A70 PolarHBondContact O-N 3.5Å; G68-A70 VanDerWaalsContact O-N 3.16Å; A70-V72 PolarHBondContact O-N 3.23Å; A70-V72 VanDerWaalsContact O-N 3.17Å; A70-L73 WeakPolarHBondContact O-CB 3.38Å; A70-L73 PolarHBondContact O-N 3.22Å; A70-S74 PolarHBondContact O-N 3.43Å; A70-S74 PolarHBondContact O-OG 3.35Å; A70-F229 HydrophobicContact CB-CD1 4.13Å; A70-F229 HydrophobicContact CB-CE1 3.89Å; A70-F229 HydrophobicContact CB-CZ 4.42Å; A70-F229 WeakPolarHBondContact CB-O 3.31Å; A70-F229 PolarHBondContact N-O 2.88Å; A70-A230 HydrophobicContact CB-CB 3.9Å; A70-V237 HydrophobicContact CB-CG2 3.56Å
71V94.5Very high92.4Very high0 Ų025.9 Ų25.90%014%0.139CC..Hα-helixtrans-52.7-29.9165.765.70000112.1V62 A63 A67 G68 P69 L73 S74 F75 T291V62-V71 HydrophobicContact CB-CG2 4.17Å; V62-V71 HydrophobicContact CG1-CB 4.42Å; V62-V71 HydrophobicContact CG1-CG2 3.67Å; A63-V71 HydrophobicContact CB-CB 4.39Å; A63-V71 HydrophobicContact CB-CG1 4.1Å; A67-V71 HydrophobicContact CB-CB 4.1Å; G68-V71 WeakPolarHBondContact O-CB 3.42Å; G68-V71 VanDerWaalsContact O-CG1 3.31Å; G68-V71 WeakPolarHBondContact O-CG1 3.48Å; G68-V71 PolarHBondContact O-N 3.03Å; P69-V71 PolarHBondContact O-N 2.79Å; V71-L73 VanDerWaalsContact C-N 3.33Å; V71-L73 PolarHBondContact O-N 3.26Å; V71-S74 WeakPolarHBondContact O-CA 3.49Å; V71-S74 VanDerWaalsContact O-CB 3.31Å; V71-S74 WeakPolarHBondContact O-CB 3.29Å; V71-S74 PolarHBondContact O-N 3Å; V71-S74 VanDerWaalsContact O-N 3.08Å; V71-F75 HydrophobicContact CG2-CD2 3.78Å; V71-F75 HydrophobicContact CG2-CE2 3.66Å; V71-F75 WeakPolarHBondContact O-CD2 3.47Å; V71-F75 PolarHBondContact O-N 2.68Å; V71-T291 HydrophobicContact CG1-CG2 3.91Å
72V95.1Very high92.6Very high19 Ų1924 Ų2412%0.11513%0.128CC..Hα-helixtrans-60.9-41.8175.5-176.70000111.5P69 A70 S74 L76 W222 I284 T288P69-V72 PolarHBondContact O-N 2.96Å; A70-V72 PolarHBondContact O-N 3.23Å; A70-V72 VanDerWaalsContact O-N 3.17Å; V72-S74 VanDerWaalsContact C-N 3.33Å; V72-L76 WeakPolarHBondContact O-CB 3.33Å; V72-L76 PolarHBondContact O-N 2.95Å; V72-W222 HydrophobicContact CG2-CZ2 4.48Å; V72-I284 HydrophobicContact CG1-CG2 3.86Å; V72-T288 WeakPolarHBondContact CG2-OG1 3.49Å
73L94.8Very high92.6Very high72 Ų7226.8 Ų26.838%0.37714%0.142SC..Hα-helixtrans-68.6-35.1174.4-65.5-179.2000111.5A70 V71 L76 I77 F229 V237A70-L73 WeakPolarHBondContact O-CB 3.38Å; A70-L73 PolarHBondContact O-N 3.22Å; V71-L73 VanDerWaalsContact C-N 3.33Å; V71-L73 PolarHBondContact O-N 3.26Å; L73-L76 PolarHBondContact O-N 3.14Å; L73-I77 VanDerWaalsContact O-CG1 3.32Å; L73-I77 WeakPolarHBondContact O-CG1 3.39Å; L73-I77 PolarHBondContact O-N 2.84Å; L73-F229 HydrophobicContact CD1-CE1 3.77Å; L73-F229 HydrophobicContact CD1-CZ 4.45Å; L73-F229 HydrophobicContact CG-CE1 4.06Å; L73-F229 HydrophobicContact CG-CZ 4.26Å; L73-V237 HydrophobicContact CB-CG1 3.96Å
74S94.2Very high92.6Very high0 Ų028.3 Ų28.30%015%0.15CC..Hα-helixtrans-62.7-45.6177.6-54.50000111.4A70 V71 V72 A78 V237 T241A70-S74 PolarHBondContact O-N 3.43Å; A70-S74 PolarHBondContact O-OG 3.35Å; V71-S74 WeakPolarHBondContact O-CA 3.49Å; V71-S74 VanDerWaalsContact O-CB 3.31Å; V71-S74 WeakPolarHBondContact O-CB 3.29Å; V71-S74 PolarHBondContact O-N 3Å; V71-S74 VanDerWaalsContact O-N 3.08Å; V72-S74 VanDerWaalsContact C-N 3.33Å; S74-A78 VanDerWaalsContact O-CB 3.27Å; S74-A78 WeakPolarHBondContact O-CB 3.46Å; S74-A78 PolarHBondContact O-N 3.22Å; S74-V237 PolarHBondContact OG-O 2.85Å; S74-V237 VanDerWaalsContact OG-O 3.08Å; S74-T241 WeakPolarHBondContact CA-OG1 3.47Å
75F95Very high92.6Very high0 Ų025.7 Ų25.70%014%0.138CC..Hα-helixtrans-67-34.9174.2-83.3-66.6000113.2T59 V71 G79 C244 A247 F248 Y283 I284 S287T59-F75 HydrophobicContact CG2-CE2 4.09Å; T59-F75 WeakPolarHBondContact OG1-CE2 3.13Å; T59-F75 VanDerWaalsContact OG1-CZ 3.3Å; T59-F75 WeakPolarHBondContact OG1-CZ 3.5Å; V71-F75 HydrophobicContact CG2-CD2 3.78Å; V71-F75 HydrophobicContact CG2-CE2 3.66Å; V71-F75 WeakPolarHBondContact O-CD2 3.47Å; V71-F75 PolarHBondContact O-N 2.68Å; F75-G79 PolarHBondContact O-N 3.46Å; F75-C244 HydrophobicContact CD1-CB 3.74Å; F75-C244 HydrophobicContact CE1-CB 3.72Å; F75-C244 HydrophobicContact CG-CB 4.25Å; F75-C244 HydrophobicContact CZ-CB 4.22Å; F75-C244 VanDerWaalsContact CZ-SG 3.56Å; F75-A247 HydrophobicContact CE1-CB 3.72Å; F75-F248 AromaticContact CD1-CE2 3.95Å; F75-F248 HydrophobicContact CD1-CE2 3.95Å; F75-F248 HydrophobicContact CD1-CZ 4.42Å; F75-Y283 HydrophobicContact CD1-CD2 4.45Å; F75-Y283 HydrophobicContact CD1-CG 4.03Å; F75-Y283 HydrophobicContact CE1-CD1 4.08Å; F75-Y283 HydrophobicContact CE1-CG 4.03Å; F75-Y283 HydrophobicContact CZ-CD1 4.46Å; F75-I284 HydrophobicContact CB-CG1 4.26Å; F75-S287 WeakPolarHBondContact CD2-OG 3.22Å; F75-S287 VanDerWaalsContact CE2-OG 3.23Å; F75-S287 WeakPolarHBondContact CE2-OG 3.2Å
76L95Very high92.7Very high79 Ų7921.7 Ų21.741%0.41412%0.117SC..Hα-helixtrans-63.8-48.8176.2179.764000111.6V72 L73 G79 I80 I284V72-L76 WeakPolarHBondContact O-CB 3.33Å; V72-L76 PolarHBondContact O-N 2.95Å; L73-L76 PolarHBondContact O-N 3.14Å; L76-G79 PolarHBondContact O-N 2.72Å; L76-I80 HydrophobicContact CD1-CD1 4.37Å; L76-I80 HydrophobicContact CG-CD1 4.32Å; L76-I80 WeakPolarHBondContact O-CG1 3.3Å; L76-I80 PolarHBondContact O-N 3.12Å; L76-I80 VanDerWaalsContact O-N 3.07Å; L76-I284 HydrophobicContact CB-CD1 4.26Å; L76-I284 HydrophobicContact CD1-CD1 3.9Å
77I92.6Very high92.9Very high50 Ų5021.5 Ų21.526%0.25612%0.115SC..Hα-helixtrans-65.2-43.8179-61.7166.1000110.2L73 G79 I80 A81 V237 M238 T241L73-I77 VanDerWaalsContact O-CG1 3.32Å; L73-I77 WeakPolarHBondContact O-CG1 3.39Å; L73-I77 PolarHBondContact O-N 2.84Å; I77-G79 PolarHBondContact O-N 2.89Å; I77-I80 PolarHBondContact O-N 3.46Å; I77-A81 PolarHBondContact O-N 2.98Å; I77-V237 HydrophobicContact CD1-CG1 4.22Å; I77-M238 HydrophobicContact CD1-SD 4.28Å; I77-T241 HydrophobicContact CB-CG2 3.91Å; I77-T241 HydrophobicContact CG2-CG2 3.7Å
78A92.1Very high92.9Very high0 Ų021.5 Ų21.50%012%0.115CC..Hα-helixtrans-60.2-44.4176.400000111.5S74 I80 A81 S82 T241 C244 F248S74-A78 VanDerWaalsContact O-CB 3.27Å; S74-A78 WeakPolarHBondContact O-CB 3.46Å; S74-A78 PolarHBondContact O-N 3.22Å; A78-I80 PolarHBondContact O-N 2.62Å; A78-A81 PolarHBondContact O-N 2.86Å; A78-S82 WeakPolarHBondContact O-CB 3.31Å; A78-S82 PolarHBondContact O-N 3.24Å; A78-S82 PolarHBondContact O-OG 3.36Å; A78-T241 HydrophobicContact CB-CG2 4.03Å; A78-C244 HydrophobicContact CB-CB 4.05Å; A78-F248 HydrophobicContact CB-CD2 3.94Å; A78-F248 HydrophobicContact CB-CE2 3.81Å
79G93.9Very high92.7Very high7 Ų721.6 Ų21.67%0.07212%0.115CC..Hα-helixtrans-62.9-38.2178.400000113.4F75 L76 I77 L83 F248F75-G79 PolarHBondContact O-N 3.46Å; L76-G79 PolarHBondContact O-N 2.72Å; I77-G79 PolarHBondContact O-N 2.89Å; G79-L83 VanDerWaalsContact O-CB 3.31Å; G79-L83 WeakPolarHBondContact O-CB 3.3Å; G79-L83 PolarHBondContact O-N 2.85Å; G79-F248 VanDerWaalsContact CA-CZ 3.47Å
80I92.4Very high92.5Very high91 Ų9121.7 Ų21.747%0.46712%0.116SC..Hα-helixtrans-65.4-45.6174.3-66.7165.7000110.6L76 I77 A78 S82 L83 M84L76-I80 HydrophobicContact CD1-CD1 4.37Å; L76-I80 HydrophobicContact CG-CD1 4.32Å; L76-I80 WeakPolarHBondContact O-CG1 3.3Å; L76-I80 PolarHBondContact O-N 3.12Å; L76-I80 VanDerWaalsContact O-N 3.07Å; I77-I80 PolarHBondContact O-N 3.46Å; A78-I80 PolarHBondContact O-N 2.62Å; I80-S82 PolarHBondContact O-N 3.13Å; I80-L83 PolarHBondContact O-N 3.33Å; I80-M84 HydrophobicContact CG2-SD 4.3Å; I80-M84 WeakPolarHBondContact O-CG 3.38Å; I80-M84 PolarHBondContact O-N 3.46Å; I80-M84 VanDerWaalsContact O-N 3.13Å
81A91.3Very high92.3Very high3 Ų321.8 Ų21.83%0.02512%0.116CC..Hα-helixtrans-61.2-45177.500000111.5I77 A78 L83 M84 A85 M581I77-A81 PolarHBondContact O-N 2.98Å; A78-A81 PolarHBondContact O-N 2.86Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 2.93Å; A81-M84 PolarHBondContact O-N 3.13Å; A81-A85 PolarHBondContact O-N 3.11Å; A81-M581 HydrophobicContact CB-CB 4.24Å
82S92.7Very high91.7Very high0 Ų021.8 Ų21.80%012%0.116CC..Hα-helixtrans-64.9-35.3175.9-58.60000112.3A78 I80 M84 A85 A86 F245 F248A78-S82 WeakPolarHBondContact O-CB 3.31Å; A78-S82 PolarHBondContact O-N 3.24Å; A78-S82 PolarHBondContact O-OG 3.36Å; I80-S82 PolarHBondContact O-N 3.13Å; S82-M84 PolarHBondContact O-N 3.43Å; S82-A85 PolarHBondContact O-N 3.43Å; S82-A86 WeakPolarHBondContact O-CB 3.42Å; S82-A86 PolarHBondContact O-N 2.61Å; S82-F245 VanDerWaalsContact OG-CE2 3.31Å; S82-F245 WeakPolarHBondContact OG-CE2 3.5Å; S82-F248 WeakPolarHBondContact OG-CB 3.31Å
83L92.5Very high91.1Very high60 Ų6020.9 Ų20.931%0.31411%0.111SC..Hα-helixtrans-64.5-41.8177.3179.865.5000111.7G79 I80 A81 A85 A86 L87 L276G79-L83 VanDerWaalsContact O-CB 3.31Å; G79-L83 WeakPolarHBondContact O-CB 3.3Å; G79-L83 PolarHBondContact O-N 2.85Å; I80-L83 PolarHBondContact O-N 3.33Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 2.93Å; L83-A85 VanDerWaalsContact C-N 3.34Å; L83-A85 PolarHBondContact O-N 2.81Å; L83-A86 PolarHBondContact O-N 3.47Å; L83-L87 HydrophobicContact CD1-CG 4.5Å; L83-L87 VanDerWaalsContact O-CG 3.27Å; L83-L87 WeakPolarHBondContact O-CG 3.33Å; L83-L87 PolarHBondContact O-N 2.87Å; L83-L276 HydrophobicContact CB-CD2 3.69Å; L83-L276 HydrophobicContact CD1-CD2 3.8Å; L83-L276 HydrophobicContact CG-CD2 4.36Å
84M92.1Very high90.6Very high33 Ų3317.5 Ų17.516%0.1639%0.093CC..Hα-helixtrans-63.7-41.9176.6-64.7168.262.400111.8I80 A81 S82 C88 I574 A577 S578I80-M84 HydrophobicContact CG2-SD 4.3Å; I80-M84 WeakPolarHBondContact O-CG 3.38Å; I80-M84 PolarHBondContact O-N 3.46Å; I80-M84 VanDerWaalsContact O-N 3.13Å; A81-M84 PolarHBondContact O-N 3.13Å; S82-M84 PolarHBondContact O-N 3.43Å; M84-C88 PolarHBondContact O-N 3.44Å; M84-C88 PolarHBondContact O-SG 3.36Å; M84-I574 HydrophobicContact CB-CG2 4.19Å; M84-I574 VanDerWaalsContact CE-O 3.31Å; M84-I574 WeakPolarHBondContact CE-O 3.32Å; M84-I574 HydrophobicContact CG-CG2 4.31Å; M84-A577 VanDerWaalsContact CE-C 3.44Å; M84-A577 HydrophobicContact CE-CB 3.3Å; M84-S578 VanDerWaalsContact CE-N 3.3Å
85A91Very high89.9Confident1 Ų119.1 Ų19.11%0.00810%0.099CC..Hα-helixtrans-64.6-43.9173.900000111.8A81 S82 L83 L87 C88 Y89 F251 Y402A81-A85 PolarHBondContact O-N 3.11Å; S82-A85 PolarHBondContact O-N 3.43Å; L83-A85 VanDerWaalsContact C-N 3.34Å; L83-A85 PolarHBondContact O-N 2.81Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.32Å; A85-C88 WeakPolarHBondContact O-CB 3.26Å; A85-C88 PolarHBondContact O-N 2.71Å; A85-C88 VanDerWaalsContact O-N 3.09Å; A85-Y89 WeakPolarHBondContact O-CD2 3.39Å; A85-Y89 PolarHBondContact O-N 3.31Å; A85-F251 HydrophobicContact CB-CZ 4.34Å; A85-Y402 HydrophobicContact CB-CD2 3.58Å; A85-Y402 HydrophobicContact CB-CE2 4.32Å; A85-Y402 HydrophobicContact CB-CG 4.08Å
86A92Very high89.2Confident2 Ų219.4 Ų19.42%0.01710%0.101CC..Hα-helixtrans-63.7-35.8-178.700000112.7S82 L83 C88 Y89 A90 F251 T272 L276S82-A86 WeakPolarHBondContact O-CB 3.42Å; S82-A86 PolarHBondContact O-N 2.61Å; L83-A86 PolarHBondContact O-N 3.47Å; A86-C88 VanDerWaalsContact C-N 3.34Å; A86-Y89 PolarHBondContact O-N 2.8Å; A86-A90 WeakPolarHBondContact O-CB 3.43Å; A86-A90 PolarHBondContact O-N 3.04Å; A86-F251 HydrophobicContact CB-CD1 4.28Å; A86-F251 HydrophobicContact CB-CD2 3.82Å; A86-F251 HydrophobicContact CB-CE1 4.21Å; A86-F251 HydrophobicContact CB-CE2 3.78Å; A86-F251 HydrophobicContact CB-CG 4.11Å; A86-F251 HydrophobicContact CB-CZ 3.97Å; A86-T272 HydrophobicContact CB-CG2 3.76Å; A86-L276 HydrophobicContact CB-CD2 3.75Å
87L91.4Very high88.4Confident33 Ų3315.8 Ų15.817%0.1738%0.083CC..Hα-helixtrans-61.7-42172.4-69.5171.9000111.5L83 A85 Y89 A90 E91 F566 V568L83-L87 HydrophobicContact CD1-CG 4.5Å; L83-L87 VanDerWaalsContact O-CG 3.27Å; L83-L87 WeakPolarHBondContact O-CG 3.33Å; L83-L87 PolarHBondContact O-N 2.87Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.32Å; L87-Y89 VanDerWaalsContact C-N 3.35Å; L87-Y89 PolarHBondContact O-N 3.26Å; L87-A90 WeakPolarHBondContact O-CB 3.38Å; L87-A90 PolarHBondContact O-N 2.98Å; L87-E91 PolarHBondContact O-N 3.21Å; L87-E91 VanDerWaalsContact O-N 3.08Å; L87-F566 HydrophobicContact CD2-CE1 4.37Å; L87-F566 HydrophobicContact CD2-CZ 3.93Å; L87-V568 HydrophobicContact CB-CG1 4.34Å; L87-V568 HydrophobicContact CB-CG2 4.07Å; L87-V568 WeakPolarHBondContact O-CG2 3.29Å
88C90.3Very high87.5Confident1 Ų116.3 Ų16.31%0.0078%0.081CC..Hα-helixtrans-62.2-42175.7-64.20000111.7M84 A85 A86 F92 V405 V409M84-C88 PolarHBondContact O-N 3.44Å; M84-C88 PolarHBondContact O-SG 3.36Å; A85-C88 WeakPolarHBondContact O-CB 3.26Å; A85-C88 PolarHBondContact O-N 2.71Å; A85-C88 VanDerWaalsContact O-N 3.09Å; A86-C88 VanDerWaalsContact C-N 3.34Å; C88-F92 PolarHBondContact O-N 2.89Å; C88-V405 HydrophobicContact CB-CG1 4.49Å; C88-V409 HydrophobicContact CB-CG2 3.89Å; C88-V409 WeakPolarHBondContact O-CG2 3.1Å
89Y88.4Confident86.3Confident3 Ų317.1 Ų17.11%0.0129%0.086CC..Hα-helixtrans-63.7-40.3173.7-91.1-98.5000112.6A85 A86 L87 E91 F92 G93 A102 F105 F251 D252 A255 Y402 V405A85-Y89 WeakPolarHBondContact O-CD2 3.39Å; A85-Y89 PolarHBondContact O-N 3.31Å; A86-Y89 PolarHBondContact O-N 2.8Å; L87-Y89 VanDerWaalsContact C-N 3.35Å; L87-Y89 PolarHBondContact O-N 3.26Å; Y89-E91 PolarHBondContact O-N 3.2Å; Y89-F92 PolarHBondContact O-N 3.41Å; Y89-G93 PolarHBondContact O-N 2.82Å; Y89-A102 HydrophobicContact CE1-CB 4.22Å; Y89-A102 WeakPolarHBondContact OH-CB 3.24Å; Y89-F105 HydrophobicContact CD1-CE2 4.01Å; Y89-F105 HydrophobicContact CE1-CE2 4.34Å; Y89-F251 AromaticContact CD2-CE2 3.89Å; Y89-F251 HydrophobicContact CD2-CE2 3.89Å; Y89-F251 HydrophobicContact CD2-CZ 4.35Å; Y89-F251 HydrophobicContact CE2-CE2 4.49Å; Y89-F251 AromaticContact CG-CE2 3.9Å; Y89-F251 HydrophobicContact CG-CE2 3.9Å; Y89-D252 HydrophobicContact CD1-CB 4.19Å; Y89-D252 HydrophobicContact CE1-CB 3.98Å; Y89-A255 HydrophobicContact CD1-CB 4.26Å; Y89-Y402 HydrophobicContact CD2-CD1 4.46Å; Y89-Y402 AromaticContact CE2-CD1 3.37Å; Y89-Y402 HydrophobicContact CE2-CD1 3.37Å; Y89-Y402 AromaticContact CE2-CE1 3.79Å; Y89-Y402 HydrophobicContact CE2-CE1 3.79Å; Y89-Y402 HydrophobicContact CE2-CG 4Å; Y89-Y402 AromaticContact CZ-CD1 3.66Å; Y89-Y402 AromaticContact CZ-CE1 3.83Å; Y89-Y402 VanDerWaalsContact OH-CD1 3.31Å; Y89-Y402 WeakPolarHBondContact OH-CD1 3.11Å; Y89-V405 HydrophobicContact CD2-CB 4.28Å; Y89-V405 HydrophobicContact CD2-CG1 3.76Å; Y89-V405 HydrophobicContact CE1-CG2 4.23Å; Y89-V405 HydrophobicContact CE2-CB 3.76Å; Y89-V405 HydrophobicContact CE2-CG1 3.76Å; Y89-V405 HydrophobicContact CE2-CG2 3.88Å; Y89-V405 HydrophobicContact CG-CG1 4.2Å
90A89Confident84.9Confident2 Ų216.9 Ų16.92%0.0178%0.084CC..Hα-helixtrans-62.3-41.4178.800000112.6A86 L87 A94 P269 F566A86-A90 WeakPolarHBondContact O-CB 3.43Å; A86-A90 PolarHBondContact O-N 3.04Å; L87-A90 WeakPolarHBondContact O-CB 3.38Å; L87-A90 PolarHBondContact O-N 2.98Å; A90-A94 VanDerWaalsContact O-CB 3.3Å; A90-A94 WeakPolarHBondContact O-CB 3.43Å; A90-A94 PolarHBondContact O-N 3.29Å; A90-P269 HydrophobicContact CB-CB 3.98Å; A90-P269 HydrophobicContact CB-CG 4.39Å; A90-F566 HydrophobicContact CB-CD1 4.11Å; A90-F566 HydrophobicContact CB-CE1 3.97Å
91E87.4Confident84.1Confident1 Ų112.6 Ų12.61%0.0056%0.062CC..Hα-helixtrans-61.4-45.7175176.5171.5164.600111.4L87 Y89 A94 R95 F566 V568L87-E91 PolarHBondContact O-N 3.21Å; L87-E91 VanDerWaalsContact O-N 3.08Å; Y89-E91 PolarHBondContact O-N 3.2Å; E91-A94 PolarHBondContact O-N 2.94Å; E91-R95 WeakPolarHBondContact O-CB 3.35Å; E91-R95 VanDerWaalsContact O-CG 3.31Å; E91-R95 WeakPolarHBondContact O-CG 3.45Å; E91-R95 PolarHBondContact O-N 2.85Å; E91-R95 VanDerWaalsContact O-N 3.11Å; E91-R95 IonicContact OE1-CZ 2.96Å; E91-R95 IonicContact OE1-NE 2.79Å; E91-R95 IonicContact OE1-NH1 2.62Å; E91-R95 PolarHBondContact OE1-NH1 3.42Å; E91-R95 IonicContact OE1-NH2 3.17Å; E91-R95 PolarHBondContact OE1-NH2 2.9Å; E91-F566 HydrophobicContact CB-CD1 4.4Å; E91-V568 HydrophobicContact CB-CG2 3.75Å; E91-V568 VanDerWaalsContact OE2-CB 3.23Å; E91-V568 WeakPolarHBondContact OE2-CB 3.42Å; E91-V568 WeakPolarHBondContact OE2-CG2 3.46Å; E91-V568 PolarHBondContact OE2-N 3.41Å
92F82.9Confident83.6Confident1 Ų112.5 Ų12.50%0.0046%0.061CC..Hα-helixtrans-67.2-46.7178.1-95.8-65.4000113.3C88 Y89 A94 R95 V96 F105 V405 S408 V409 L412C88-F92 PolarHBondContact O-N 2.89Å; Y89-F92 PolarHBondContact O-N 3.41Å; F92-A94 PolarHBondContact O-N 2.81Å; F92-R95 PolarHBondContact O-N 3.2Å; F92-V96 PolarHBondContact O-N 3.42Å; F92-F105 HydrophobicContact CB-CB 4.44Å; F92-F105 HydrophobicContact CB-CD1 3.83Å; F92-F105 HydrophobicContact CB-CD2 3.61Å; F92-F105 HydrophobicContact CB-CE1 3.92Å; F92-F105 HydrophobicContact CB-CE2 3.7Å; F92-F105 HydrophobicContact CB-CG 3.7Å; F92-F105 HydrophobicContact CB-CZ 3.85Å; F92-F105 HydrophobicContact CD1-CB 3.85Å; F92-F105 AromaticContact CD1-CD1 4Å; F92-F105 HydrophobicContact CD1-CD1 4Å; F92-F105 AromaticContact CD1-CG 3.9Å; F92-F105 HydrophobicContact CD1-CG 3.9Å; F92-F105 HydrophobicContact CD2-CB 4.28Å; F92-F105 HydrophobicContact CD2-CD2 4.35Å; F92-F105 HydrophobicContact CD2-CG 4.36Å; F92-F105 HydrophobicContact CE1-CB 4.08Å; F92-F105 HydrophobicContact CE2-CB 4.46Å; F92-F105 HydrophobicContact CG-CB 3.97Å; F92-F105 HydrophobicContact CG-CD1 4.13Å; F92-F105 AromaticContact CG-CD2 3.99Å; F92-F105 HydrophobicContact CG-CD2 3.99Å; F92-F105 AromaticContact CG-CG 3.77Å; F92-F105 HydrophobicContact CG-CG 3.77Å; F92-F105 HydrophobicContact CZ-CB 4.41Å; F92-V405 HydrophobicContact CD2-CG1 3.89Å; F92-V405 HydrophobicContact CE2-CG1 4.31Å; F92-S408 VanDerWaalsContact CZ-C 3.45Å; F92-S408 WeakPolarHBondContact CZ-O 3.5Å; F92-V409 HydrophobicContact CD2-CB 4.38Å; F92-V409 HydrophobicContact CD2-CG2 3.24Å; F92-V409 VanDerWaalsContact CE2-CA 3.47Å; F92-V409 HydrophobicContact CE2-CB 3.91Å; F92-V409 HydrophobicContact CE2-CG2 3.19Å; F92-V409 HydrophobicContact CG-CG2 4.39Å; F92-V409 HydrophobicContact CZ-CG2 4.28Å; F92-L412 HydrophobicContact CD1-CD2 4.27Å; F92-L412 HydrophobicContact CE1-CB 4.36Å; F92-L412 HydrophobicContact CE1-CD2 3.65Å; F92-L412 HydrophobicContact CE1-CG 4.39Å; F92-L412 HydrophobicContact CZ-CB 4.18Å; F92-L412 HydrophobicContact CZ-CD2 4.22Å
93G81.9Confident83.4Confident0 Ų012.5 Ų12.50%06%0.061CC..Hα-helixtrans-61.1-31.2178.600000112.7Y89 I268Y89-G93 PolarHBondContact O-N 2.82Å; G93-I268 VanDerWaalsContact O-CD1 3.26Å; G93-I268 WeakPolarHBondContact O-CD1 3.32Å
94A83.8Confident82.9Confident1 Ų110 Ų101%0.0085%0.048CC..Hα-helixtrans-76-29.8173.400000113.7A90 E91 F92 P269 F566A90-A94 VanDerWaalsContact O-CB 3.3Å; A90-A94 WeakPolarHBondContact O-CB 3.43Å; A90-A94 PolarHBondContact O-N 3.29Å; E91-A94 PolarHBondContact O-N 2.94Å; F92-A94 PolarHBondContact O-N 2.81Å; A94-P269 HydrophobicContact CB-CG 3.8Å; A94-F566 HydrophobicContact CB-CB 4.32Å
95R80.6Confident82.4Confident33 Ų338.5 Ų8.513%0.1254%0.04CC..Hα-helixtrans-84.6-40.8-179.2-76.1-178-176.9-174.38.8113.5E91 F92 P97 T565E91-R95 WeakPolarHBondContact O-CB 3.35Å; E91-R95 VanDerWaalsContact O-CG 3.31Å; E91-R95 WeakPolarHBondContact O-CG 3.45Å; E91-R95 PolarHBondContact O-N 2.85Å; E91-R95 VanDerWaalsContact O-N 3.11Å; E91-R95 IonicContact OE1-CZ 2.96Å; E91-R95 IonicContact OE1-NE 2.79Å; E91-R95 IonicContact OE1-NH1 2.62Å; E91-R95 PolarHBondContact OE1-NH1 3.42Å; E91-R95 IonicContact OE1-NH2 3.17Å; E91-R95 PolarHBondContact OE1-NH2 2.9Å; F92-R95 PolarHBondContact O-N 3.2Å; R95-P97 WeakPolarHBondContact O-CD 3.47Å; R95-T565 HydrophobicContact CG-CG2 4.49Å
96V80.1Confident82Confident7 Ų78.4 Ų8.44%0.0424%0.04CC..  trans-122.781.8-176.1-171.90000108.3L24 F92 R98 M104L24-V96 HydrophobicContact CD1-CG1 4.08Å; L24-V96 HydrophobicContact CD1-CG2 4.24Å; L24-V96 HydrophobicContact CD2-CG1 4.1Å; F92-V96 PolarHBondContact O-N 3.42Å; V96-R98 HydrophobicContact CG1-CB 4.29Å; V96-R98 HydrophobicContact CG1-CG 4.48Å; V96-R98 PolarHBondContact O-N 3.13Å; V96-M104 HydrophobicContact CG1-CG 4.24Å
97P77.1Confident81.7Confident3 Ų38.3 Ų8.32%0.0194%0.039CC..  trans-78.858.3-177.435-37.5000111.4R95 E259 P264R95-P97 WeakPolarHBondContact O-CD 3.47Å; P97-E259 WeakPolarHBondContact O-CG 3.33Å; P97-P264 HydrophobicContact CB-CB 3.71Å; P97-P264 HydrophobicContact CB-CG 3.68Å; P97-P264 HydrophobicContact CG-CG 4.31Å
98R75.3Confident81.2Confident60 Ų607.8 Ų7.823%0.2264%0.037CC..SBendtrans-118.4150177.1-75-70.7-170174.6-5.7110.4L24 V30 V96 M104 S258 E259L24-R98 HydrophobicContact CD2-CG 4.5Å; V30-R98 VanDerWaalsContact O-CZ 3.26Å; V30-R98 PolarHBondContact O-NH1 2.95Å; V30-R98 VanDerWaalsContact O-NH1 3.13Å; V30-R98 PolarHBondContact O-NH2 3.2Å; V96-R98 HydrophobicContact CG1-CB 4.29Å; V96-R98 HydrophobicContact CG1-CG 4.48Å; V96-R98 PolarHBondContact O-N 3.13Å; R98-M104 HydrophobicContact CB-CG 4.19Å; R98-S258 PolarHBondContact O-OG 3.38Å; R98-E259 VanDerWaalsContact CA-OE1 3.3Å; R98-E259 WeakPolarHBondContact CA-OE1 3.4Å; R98-E259 WeakPolarHBondContact CD-OE1 3.49Å; R98-E259 IonicContact NH1-OE1 3.97Å
99T66.1Low80.6Confident18 Ų187.9 Ų7.911%0.114%0.038CC..THydrogen-bonded Turntrans-70.3133.5177.8-61.30000108.5M33 M104 E259 R342M33-T99 WeakPolarHBondContact CE-OG1 3.42Å; T99-M104 WeakPolarHBondContact O-CE 3.46Å; T99-E259 WeakPolarHBondContact CB-OE2 3.33Å; T99-E259 VanDerWaalsContact N-CG 3.33Å; T99-E259 PolarHBondContact N-OE1 3.45Å; T99-E259 WeakPolarHBondContact OG1-CB 3.17Å; T99-E259 VanDerWaalsContact OG1-CG 3.27Å; T99-E259 WeakPolarHBondContact OG1-CG 3.43Å; T99-E259 PolarHBondContact OG1-OE1 2.94Å; T99-E259 PolarHBondContact OG1-OE2 2.81Å; T99-R342 HydrophobicContact CG2-CB 4.42Å
100G64.2Low80.1Confident2 Ų29.6 Ų9.62%0.0215%0.05CC..THydrogen-bonded Turntrans140.5-5.6-18000000115.3A102 Y103 M104G100-A102 PolarHBondContact O-N 3.07Å; G100-Y103 WeakPolarHBondContact O-CB 3.38Å; G100-Y103 PolarHBondContact O-N 2.75Å; G100-Y103 VanDerWaalsContact O-N 3.13Å; G100-M104 PolarHBondContact O-N 3.3Å
101S76.2Confident79.9Confident1 Ų19.5 Ų9.51%0.0075%0.049CC..Hα-helixtrans45.7-136175.9-169.50000111.7Y103 M104 F105S101-Y103 PolarHBondContact O-N 3.17Å; S101-Y103 VanDerWaalsContact O-N 3.15Å; S101-M104 PolarHBondContact O-N 2.99Å; S101-M104 VanDerWaalsContact O-N 3.17Å; S101-F105 WeakPolarHBondContact O-CD1 3.33Å; S101-F105 WeakPolarHBondContact O-CD2 3.46Å; S101-F105 WeakPolarHBondContact O-CG 3.46Å; S101-F105 PolarHBondContact O-N 3.45Å
102A81.1Confident79.9Confident0 Ų09.5 Ų9.50%05%0.049CC..Hα-helixtrans-52.5-34.5-179.600000114.7Y89 G100 F105 T106 I118 V122 V405Y89-A102 HydrophobicContact CE1-CB 4.22Å; Y89-A102 WeakPolarHBondContact OH-CB 3.24Å; G100-A102 PolarHBondContact O-N 3.07Å; A102-F105 PolarHBondContact O-N 3.21Å; A102-T106 PolarHBondContact O-N 3.35Å; A102-T106 PolarHBondContact O-OG1 2.9Å; A102-T106 VanDerWaalsContact O-OG1 3.12Å; A102-I118 HydrophobicContact CB-CG2 3.71Å; A102-V122 HydrophobicContact CB-CG2 4.17Å; A102-V405 HydrophobicContact CB-CG2 3.67Å
103Y87.4Confident80.2Confident1 Ų110.6 Ų10.60%0.0045%0.054CC..Hα-helixtrans-59.4-52.3177.6162.6-100.6000111.4G100 S101 F105 T106 Y107 A115 M347 D350 L352G100-Y103 WeakPolarHBondContact O-CB 3.38Å; G100-Y103 PolarHBondContact O-N 2.75Å; G100-Y103 VanDerWaalsContact O-N 3.13Å; S101-Y103 PolarHBondContact O-N 3.17Å; S101-Y103 VanDerWaalsContact O-N 3.15Å; Y103-F105 VanDerWaalsContact C-N 3.3Å; Y103-F105 PolarHBondContact O-N 3.1Å; Y103-T106 PolarHBondContact O-N 2.97Å; Y103-Y107 HydrophobicContact CE1-CD1 4.2Å; Y103-Y107 HydrophobicContact CE2-CD1 4.3Å; Y103-Y107 AromaticContact CZ-CD1 3.7Å; Y103-Y107 WeakPolarHBondContact O-CB 3.48Å; Y103-Y107 PolarHBondContact O-N 3.14Å; Y103-Y107 WeakPolarHBondContact OH-CD1 3.13Å; Y103-Y107 VanDerWaalsContact OH-CE1 3.29Å; Y103-Y107 WeakPolarHBondContact OH-CE1 3.34Å; Y103-A115 HydrophobicContact CD2-CB 4.07Å; Y103-A115 WeakPolarHBondContact CD2-O 3.19Å; Y103-A115 HydrophobicContact CE2-CB 3.85Å; Y103-M347 HydrophobicContact CD1-CG 4.25Å; Y103-M347 HydrophobicContact CD2-CE 4.39Å; Y103-M347 HydrophobicContact CD2-CG 4.01Å; Y103-M347 HydrophobicContact CD2-SD 4.45Å; Y103-M347 HydrophobicContact CE1-CG 4.14Å; Y103-M347 HydrophobicContact CE2-CE 4.33Å; Y103-M347 HydrophobicContact CE2-CG 3.94Å; Y103-M347 HydrophobicContact CG-CG 4.2Å; Y103-D350 WeakPolarHBondContact OH-CB 3.37Å; Y103-D350 PolarHBondContact OH-OD2 3.02Å; Y103-D350 VanDerWaalsContact OH-OD2 3.07Å; Y103-L352 HydrophobicContact CE2-CD1 3.87Å; Y103-L352 WeakPolarHBondContact OH-CD1 3.06Å
104M81.8Confident80.4Confident8 Ų815.7 Ų15.74%0.0397%0.074CC..Hα-helixtrans-65.1-38.3-179.2-170.26362.900111K22 V96 R98 T99 G100 S101 Y107 V108K22-M104 HydrophobicContact CD-SD 3.8Å; V96-M104 HydrophobicContact CG1-CG 4.24Å; R98-M104 HydrophobicContact CB-CG 4.19Å; T99-M104 WeakPolarHBondContact O-CE 3.46Å; G100-M104 PolarHBondContact O-N 3.3Å; S101-M104 PolarHBondContact O-N 2.99Å; S101-M104 VanDerWaalsContact O-N 3.17Å; M104-Y107 PolarHBondContact O-N 2.99Å; M104-V108 WeakPolarHBondContact O-CG2 3.44Å; M104-V108 PolarHBondContact O-N 3.5Å; M104-V108 VanDerWaalsContact O-N 3.16Å
105F82.2Confident80.6Confident0 Ų015.6 Ų15.60%07%0.073CC..Hα-helixtrans-61.3-47.9179.2-55.8-21.8000111.2Y89 F92 S101 A102 Y103 Y107 V108 S109 A255 V405Y89-F105 HydrophobicContact CD1-CE2 4.01Å; Y89-F105 HydrophobicContact CE1-CE2 4.34Å; F92-F105 HydrophobicContact CB-CB 4.44Å; F92-F105 HydrophobicContact CB-CD1 3.83Å; F92-F105 HydrophobicContact CB-CD2 3.61Å; F92-F105 HydrophobicContact CB-CE1 3.92Å; F92-F105 HydrophobicContact CB-CE2 3.7Å; F92-F105 HydrophobicContact CB-CG 3.7Å; F92-F105 HydrophobicContact CB-CZ 3.85Å; F92-F105 HydrophobicContact CD1-CB 3.85Å; F92-F105 AromaticContact CD1-CD1 4Å; F92-F105 HydrophobicContact CD1-CD1 4Å; F92-F105 AromaticContact CD1-CG 3.9Å; F92-F105 HydrophobicContact CD1-CG 3.9Å; F92-F105 HydrophobicContact CD2-CB 4.28Å; F92-F105 HydrophobicContact CD2-CD2 4.35Å; F92-F105 HydrophobicContact CD2-CG 4.36Å; F92-F105 HydrophobicContact CE1-CB 4.08Å; F92-F105 HydrophobicContact CE2-CB 4.46Å; F92-F105 HydrophobicContact CG-CB 3.97Å; F92-F105 HydrophobicContact CG-CD1 4.13Å; F92-F105 AromaticContact CG-CD2 3.99Å; F92-F105 HydrophobicContact CG-CD2 3.99Å; F92-F105 AromaticContact CG-CG 3.77Å; F92-F105 HydrophobicContact CG-CG 3.77Å; F92-F105 HydrophobicContact CZ-CB 4.41Å; S101-F105 WeakPolarHBondContact O-CD1 3.33Å; S101-F105 WeakPolarHBondContact O-CD2 3.46Å; S101-F105 WeakPolarHBondContact O-CG 3.46Å; S101-F105 PolarHBondContact O-N 3.45Å; A102-F105 PolarHBondContact O-N 3.21Å; Y103-F105 VanDerWaalsContact C-N 3.3Å; Y103-F105 PolarHBondContact O-N 3.1Å; F105-Y107 PolarHBondContact O-N 2.66Å; F105-V108 PolarHBondContact O-N 3.27Å; F105-S109 PolarHBondContact O-N 3.28Å; F105-S109 PolarHBondContact O-OG 3.09Å; F105-S109 VanDerWaalsContact O-OG 3.05Å; F105-A255 HydrophobicContact CE2-CB 4.37Å; F105-A255 HydrophobicContact CZ-CB 4.21Å; F105-V405 HydrophobicContact CD2-CG1 4.47Å; F105-V405 HydrophobicContact CD2-CG2 4.44Å
106T83.5Confident81.1Confident0 Ų014 Ų140%07%0.067CC..Hα-helixtrans-69.4-31.2178.1-56.10000112.6A102 Y103 V108 S109 C110 G111 W114 I118A102-T106 PolarHBondContact O-N 3.35Å; A102-T106 PolarHBondContact O-OG1 2.9Å; A102-T106 VanDerWaalsContact O-OG1 3.12Å; Y103-T106 PolarHBondContact O-N 2.97Å; T106-V108 VanDerWaalsContact C-N 3.33Å; T106-V108 PolarHBondContact O-N 3.33Å; T106-S109 PolarHBondContact O-N 3.12Å; T106-C110 HydrophobicContact CG2-CB 3.8Å; T106-C110 PolarHBondContact O-N 3.38Å; T106-G111 PolarHBondContact O-N 2.98Å; T106-W114 HydrophobicContact CG2-CB 3.69Å; T106-I118 HydrophobicContact CG2-CG1 4.2Å
107Y84.9Confident81.7Confident0 Ų015.3 Ų15.30%07%0.074CC..Hα-helixtrans-67.3-34.1177.4-153.3171.6000113K22 Y103 M104 F105 E112 A115 D350 L352K22-Y107 HydrophobicContact CB-CD1 3.94Å; K22-Y107 HydrophobicContact CB-CD2 3.76Å; K22-Y107 HydrophobicContact CB-CE1 4.2Å; K22-Y107 HydrophobicContact CB-CE2 4.02Å; K22-Y107 HydrophobicContact CB-CG 3.71Å; K22-Y107 HydrophobicContact CD-CD1 3.73Å; K22-Y107 HydrophobicContact CD-CE1 3.93Å; K22-Y107 HydrophobicContact CD-CG 4.3Å; K22-Y107 HydrophobicContact CG-CD1 4.49Å; K22-Y107 PolarHBondContact N-O 3.18Å; K22-Y107 VanDerWaalsContact N-O 3.17Å; Y103-Y107 HydrophobicContact CE1-CD1 4.2Å; Y103-Y107 HydrophobicContact CE2-CD1 4.3Å; Y103-Y107 AromaticContact CZ-CD1 3.7Å; Y103-Y107 WeakPolarHBondContact O-CB 3.48Å; Y103-Y107 PolarHBondContact O-N 3.14Å; Y103-Y107 WeakPolarHBondContact OH-CD1 3.13Å; Y103-Y107 VanDerWaalsContact OH-CE1 3.29Å; Y103-Y107 WeakPolarHBondContact OH-CE1 3.34Å; M104-Y107 PolarHBondContact O-N 2.99Å; F105-Y107 PolarHBondContact O-N 2.66Å; Y107-E112 HydrophobicContact CD2-CB 4.47Å; Y107-E112 HydrophobicContact CE2-CB 3.75Å; Y107-E112 HydrophobicContact CE2-CG 3.97Å; Y107-E112 PolarHBondContact OH-OE2 3.21Å; Y107-A115 VanDerWaalsContact CB-CB 3.47Å; Y107-A115 HydrophobicContact CD1-CB 4.22Å; Y107-A115 HydrophobicContact CD2-CB 4.01Å; Y107-A115 HydrophobicContact CG-CB 3.65Å; Y107-D350 HydrophobicContact CE1-CB 4.24Å; Y107-L352 HydrophobicContact CE1-CD1 4Å
108V80.1Confident82.3Confident21 Ų2115.2 Ų15.213%0.1277%0.073CC..Hα-helixtrans-79.2-27.8178.2175.80000111.9L21 L24 M104 F105 T106 L412L21-V108 WeakPolarHBondContact CD2-O 3.18Å; L24-V108 HydrophobicContact CD1-CG1 3.85Å; L24-V108 HydrophobicContact CD1-CG2 3.86Å; L24-V108 HydrophobicContact CD2-CG2 4.28Å; L24-V108 HydrophobicContact CG-CG2 4.09Å; M104-V108 WeakPolarHBondContact O-CG2 3.44Å; M104-V108 PolarHBondContact O-N 3.5Å; M104-V108 VanDerWaalsContact O-N 3.16Å; F105-V108 PolarHBondContact O-N 3.27Å; T106-V108 VanDerWaalsContact C-N 3.33Å; T106-V108 PolarHBondContact O-N 3.33Å; V108-L412 HydrophobicContact CG1-CD1 4.42Å
109S77.6Confident83Confident4 Ų412.4 Ų12.43%0.0286%0.062CC..Hα-helixtrans-103.3-43.7-174.2620000115.6F105 T106 S408 Q415F105-S109 PolarHBondContact O-N 3.28Å; F105-S109 PolarHBondContact O-OG 3.09Å; F105-S109 VanDerWaalsContact O-OG 3.05Å; T106-S109 PolarHBondContact O-N 3.12Å; S109-S408 VanDerWaalsContact OG-CB 3.29Å; S109-S408 WeakPolarHBondContact OG-CB 3.31Å; S109-S408 PolarHBondContact OG-OG 3.12Å; S109-Q415 PolarHBondContact O-NE2 3.47Å
110C79.4Confident84.2Confident39 Ų3912.6 Ų12.626%0.2646%0.061SC..THydrogen-bonded Turntrans-113.2-24.5-165.5-63.60000113.8T106 W114 S408T106-C110 HydrophobicContact CG2-CB 3.8Å; T106-C110 PolarHBondContact O-N 3.38Å; C110-W114 HydrophobicContact CB-CB 4.13Å; C110-W114 HydrophobicContact CB-CG 4.45Å; C110-S408 PolarHBondContact SG-OG 3.37Å
111G83.4Confident85.5Confident0 Ų012.7 Ų12.70%06%0.061CC..  trans116.3175.5174.100000114.8R20 T106 W114 A115R20-G111 CarbonylContact O-C 3.49Å; R20-G111 VanDerWaalsContact O-CA 3.25Å; R20-G111 WeakPolarHBondContact O-CA 3.34Å; T106-G111 PolarHBondContact O-N 2.98Å; G111-W114 PolarHBondContact O-N 2.06Å; G111-A115 WeakPolarHBondContact O-CB 3.5Å; G111-A115 PolarHBondContact O-N 2.86Å
112E87.8Confident86.2Confident0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-62.1-47.6-167.8-170.6175.1123.900114.5L18 R20 Y107 W114 A115 F116 L352 Y608 S616L18-E112 PolarHBondContact O-N 2.92Å; R20-E112 HydrophobicContact CB-CB 4.14Å; R20-E112 WeakPolarHBondContact CD-OE2 3.17Å; R20-E112 PolarHBondContact O-N 3.49Å; Y107-E112 HydrophobicContact CD2-CB 4.47Å; Y107-E112 HydrophobicContact CE2-CB 3.75Å; Y107-E112 HydrophobicContact CE2-CG 3.97Å; Y107-E112 PolarHBondContact OH-OE2 3.21Å; E112-W114 PolarHBondContact O-N 3.47Å; E112-A115 WeakPolarHBondContact O-CB 3.05Å; E112-A115 PolarHBondContact O-N 3.33Å; E112-F116 PolarHBondContact O-N 3.35Å; E112-L352 HydrophobicContact CG-CD1 4.06Å; E112-L352 HydrophobicContact CG-CD2 3.62Å; E112-L352 WeakPolarHBondContact OE1-CD2 3.42Å; E112-Y608 HydrophobicContact CG-CE2 4.24Å; E112-Y608 PolarHBondContact OE1-OH 2.91Å; E112-S616 VanDerWaalsContact CD-OG 3.22Å; E112-S616 WeakPolarHBondContact OE1-CB 3.33Å; E112-S616 PolarHBondContact OE1-OG 3.27Å; E112-S616 PolarHBondContact OE2-OG 3.35Å
113I88.8Confident86.7Confident24 Ų2413 Ų1312%0.1236%0.063CC..Hα-helixtrans-64.3-42.6-178.9-171.9170000111.8L18 F116 L117 Y608 F609L18-I113 HydrophobicContact CB-CB 4.38Å; L18-I113 HydrophobicContact CB-CG2 4.2Å; L18-I113 HydrophobicContact CD1-CD1 4.39Å; L18-I113 HydrophobicContact CD2-CB 4.38Å; L18-I113 HydrophobicContact CD2-CD1 4.12Å; L18-I113 WeakPolarHBondContact O-CG2 3.2Å; L18-I113 PolarHBondContact O-N 3.37Å; I113-F116 PolarHBondContact O-N 3.41Å; I113-L117 HydrophobicContact CG1-CD1 4.41Å; I113-L117 WeakPolarHBondContact O-CG 3.43Å; I113-L117 PolarHBondContact O-N 2.72Å; I113-Y608 HydrophobicContact CB-CE1 4.17Å; I113-Y608 HydrophobicContact CD1-CE1 4.3Å; I113-Y608 HydrophobicContact CG1-CD1 4.4Å; I113-Y608 HydrophobicContact CG1-CE1 4Å; I113-F609 HydrophobicContact CD1-CZ 4.18Å
114W87.6Confident86.8Confident107 Ų10713 Ų1341%0.4056%0.063SC..Hα-helixtrans-68.3-39.7178.4-64.4110000110.7T106 C110 G111 E112 L117 I118 F404T106-W114 HydrophobicContact CG2-CB 3.69Å; C110-W114 HydrophobicContact CB-CB 4.13Å; C110-W114 HydrophobicContact CB-CG 4.45Å; G111-W114 PolarHBondContact O-N 2.06Å; E112-W114 PolarHBondContact O-N 3.47Å; W114-L117 HydrophobicContact CE3-CD1 4.21Å; W114-L117 HydrophobicContact CZ3-CD1 4.36Å; W114-L117 PolarHBondContact O-N 3.4Å; W114-I118 WeakPolarHBondContact O-CB 3.03Å; W114-I118 VanDerWaalsContact O-CG1 3.28Å; W114-I118 WeakPolarHBondContact O-CG1 3.25Å; W114-I118 PolarHBondContact O-N 2.79Å; W114-F404 HydrophobicContact CD2-CE1 4.32Å; W114-F404 AromaticContact CE3-CE1 3.55Å; W114-F404 HydrophobicContact CE3-CE1 3.55Å; W114-F404 AromaticContact CE3-CZ 3.82Å; W114-F404 HydrophobicContact CE3-CZ 3.82Å; W114-F404 AromaticContact CZ3-CE1 3.78Å; W114-F404 HydrophobicContact CZ3-CE1 3.78Å; W114-F404 AromaticContact CZ3-CZ 3.64Å; W114-F404 HydrophobicContact CZ3-CZ 3.64Å
115A88.1Confident87.2Confident0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-57.2-52.9171.900000110.8Y103 Y107 G111 E112 L117 I118 G119Y103-A115 HydrophobicContact CD2-CB 4.07Å; Y103-A115 WeakPolarHBondContact CD2-O 3.19Å; Y103-A115 HydrophobicContact CE2-CB 3.85Å; Y107-A115 VanDerWaalsContact CB-CB 3.47Å; Y107-A115 HydrophobicContact CD1-CB 4.22Å; Y107-A115 HydrophobicContact CD2-CB 4.01Å; Y107-A115 HydrophobicContact CG-CB 3.65Å; G111-A115 WeakPolarHBondContact O-CB 3.5Å; G111-A115 PolarHBondContact O-N 2.86Å; E112-A115 WeakPolarHBondContact O-CB 3.05Å; E112-A115 PolarHBondContact O-N 3.33Å; A115-L117 VanDerWaalsContact C-N 3.35Å; A115-L117 PolarHBondContact O-N 2.94Å; A115-I118 PolarHBondContact O-N 3.06Å; A115-G119 PolarHBondContact O-N 3.45Å
116F91.2Very high87.5Confident0 Ų013.1 Ų13.10%06%0.063CC..Hα-helixtrans-57.6-46.4179.4178.8-88.1000112.2E112 I113 I118 G119 W120 M347 L352 G604 V607 Y608E112-F116 PolarHBondContact O-N 3.35Å; I113-F116 PolarHBondContact O-N 3.41Å; F116-I118 VanDerWaalsContact C-N 3.33Å; F116-I118 PolarHBondContact O-N 2.62Å; F116-G119 PolarHBondContact O-N 3.45Å; F116-W120 HydrophobicContact CD1-CB 4.48Å; F116-W120 HydrophobicContact CE1-CB 4.07Å; F116-W120 HydrophobicContact CE1-CG 4.34Å; F116-W120 HydrophobicContact CZ-CB 4.44Å; F116-W120 HydrophobicContact CZ-CE3 4.35Å; F116-W120 VanDerWaalsContact O-CB 3.23Å; F116-W120 WeakPolarHBondContact O-CB 3.16Å; F116-W120 PolarHBondContact O-N 2.76Å; F116-M347 HydrophobicContact CD2-CE 3.56Å; F116-M347 HydrophobicContact CE2-CE 3.84Å; F116-M347 HydrophobicContact CG-CE 4.28Å; F116-L352 HydrophobicContact CB-CD1 4.37Å; F116-L352 HydrophobicContact CD2-CB 3.97Å; F116-L352 WeakPolarHBondContact CE2-O 3.31Å; F116-G604 WeakPolarHBondContact CE1-O 3.29Å; F116-V607 HydrophobicContact CZ-CB 4.29Å; F116-V607 HydrophobicContact CZ-CG1 4.16Å; F116-Y608 HydrophobicContact CB-CD2 3.65Å; F116-Y608 HydrophobicContact CB-CE2 3.89Å; F116-Y608 HydrophobicContact CB-CG 4.49Å; F116-Y608 AromaticContact CD1-CD2 3.79Å; F116-Y608 HydrophobicContact CD1-CD2 3.79Å; F116-Y608 AromaticContact CD1-CG 3.95Å; F116-Y608 HydrophobicContact CD1-CG 3.95Å; F116-Y608 AromaticContact CD2-CD2 3.81Å; F116-Y608 HydrophobicContact CD2-CD2 3.81Å; F116-Y608 HydrophobicContact CE1-CD2 4.46Å; F116-Y608 HydrophobicContact CE1-CG 4.41Å; F116-Y608 HydrophobicContact CE2-CD2 4.42Å; F116-Y608 AromaticContact CG-CD2 3.43Å; F116-Y608 HydrophobicContact CG-CD2 3.43Å; F116-Y608 VanDerWaalsContact CG-CD2 3.43Å; F116-Y608 HydrophobicContact CG-CE2 4.18Å; F116-Y608 HydrophobicContact CG-CG 4.08Å
117L90.9Very high87.9Confident34 Ų3413.3 Ų13.318%0.1786%0.064CC..Hα-helixtrans-59.6-43.3178.8-77.4175.6000112.3I113 W114 A115 N121 V601 L605I113-L117 HydrophobicContact CG1-CD1 4.41Å; I113-L117 WeakPolarHBondContact O-CG 3.43Å; I113-L117 PolarHBondContact O-N 2.72Å; W114-L117 HydrophobicContact CE3-CD1 4.21Å; W114-L117 HydrophobicContact CZ3-CD1 4.36Å; W114-L117 PolarHBondContact O-N 3.4Å; A115-L117 VanDerWaalsContact C-N 3.35Å; A115-L117 PolarHBondContact O-N 2.94Å; L117-N121 WeakPolarHBondContact O-CB 3.12Å; L117-N121 PolarHBondContact O-N 2.87Å; L117-V601 HydrophobicContact CD2-CG1 4.12Å; L117-L605 HydrophobicContact CD1-CD2 4.39Å; L117-L605 HydrophobicContact CD2-CD2 3.7Å; L117-L605 HydrophobicContact CD2-CG 3.98Å; L117-L605 HydrophobicContact CG-CD2 4.31Å
118I89.9Confident88.3Confident1 Ų113.3 Ų13.31%0.0056%0.064CC..Hα-helixtrans-68.7-43.4176.6-64.2-56.8000111.1A102 T106 W114 A115 F116 W120 N121 V122 L400 F404A102-I118 HydrophobicContact CB-CG2 3.71Å; T106-I118 HydrophobicContact CG2-CG1 4.2Å; W114-I118 WeakPolarHBondContact O-CB 3.03Å; W114-I118 VanDerWaalsContact O-CG1 3.28Å; W114-I118 WeakPolarHBondContact O-CG1 3.25Å; W114-I118 PolarHBondContact O-N 2.79Å; A115-I118 PolarHBondContact O-N 3.06Å; F116-I118 VanDerWaalsContact C-N 3.33Å; F116-I118 PolarHBondContact O-N 2.62Å; I118-W120 PolarHBondContact O-N 2.68Å; I118-N121 WeakPolarHBondContact O-CB 3.47Å; I118-N121 PolarHBondContact O-N 3.44Å; I118-V122 HydrophobicContact CG2-CG2 4.29Å; I118-V122 VanDerWaalsContact O-CG2 3.25Å; I118-V122 WeakPolarHBondContact O-CG2 3.49Å; I118-V122 PolarHBondContact O-N 2.84Å; I118-L400 HydrophobicContact CD1-CD2 3.71Å; I118-F404 HydrophobicContact CD1-CB 3.67Å; I118-F404 HydrophobicContact CD1-CD1 4.28Å; I118-F404 HydrophobicContact CD1-CD2 3.59Å; I118-F404 HydrophobicContact CD1-CE2 4.27Å; I118-F404 HydrophobicContact CD1-CG 3.59Å; I118-F404 HydrophobicContact CG1-CB 4.15Å; I118-F404 HydrophobicContact CG1-CG 4.21Å
119G90.5Very high88.8Confident0 Ų012.5 Ų12.50%06%0.061CC..Hα-helixtrans-60-43.6174.900000112.6A115 F116 N121 V122 V123A115-G119 PolarHBondContact O-N 3.45Å; F116-G119 PolarHBondContact O-N 3.45Å; G119-N121 VanDerWaalsContact C-N 3.3Å; G119-N121 PolarHBondContact O-N 3.28Å; G119-V122 PolarHBondContact O-N 3.5Å; G119-V123 VanDerWaalsContact O-CG2 3.31Å; G119-V123 WeakPolarHBondContact O-CG2 3.45Å; G119-V123 PolarHBondContact O-N 3.28Å
120W92.3Very high89.5Confident23 Ų2312.3 Ų12.39%0.0876%0.059CC..Hα-helixtrans-62.7-36.8175.8-176.8-109000112.7F116 I118 L124 F353 W600 A603F116-W120 HydrophobicContact CD1-CB 4.48Å; F116-W120 HydrophobicContact CE1-CB 4.07Å; F116-W120 HydrophobicContact CE1-CG 4.34Å; F116-W120 HydrophobicContact CZ-CB 4.44Å; F116-W120 HydrophobicContact CZ-CE3 4.35Å; F116-W120 VanDerWaalsContact O-CB 3.23Å; F116-W120 WeakPolarHBondContact O-CB 3.16Å; F116-W120 PolarHBondContact O-N 2.76Å; I118-W120 PolarHBondContact O-N 2.68Å; W120-L124 PolarHBondContact O-N 3.45Å; W120-F353 HydrophobicContact CE3-CE2 4.37Å; W120-F353 AromaticContact CZ3-CE2 3.72Å; W120-F353 HydrophobicContact CZ3-CE2 3.72Å; W120-F353 HydrophobicContact CZ3-CZ 4.23Å; W120-W600 AromaticContact CD1-CD1 3.68Å; W120-W600 AromaticContact CD1-CE2 3.75Å; W120-W600 AromaticContact CD1-NE1 3.21Å; W120-W600 AromaticContact CD2-CZ2 3.9Å; W120-W600 HydrophobicContact CD2-CZ2 3.9Å; W120-W600 AromaticContact CE2-CE2 3.36Å; W120-W600 AromaticContact CE2-CH2 3.91Å; W120-W600 AromaticContact CE2-CZ2 3.31Å; W120-W600 AromaticContact CE2-NE1 3.71Å; W120-W600 HydrophobicContact CE3-CZ2 4.37Å; W120-W600 HydrophobicContact CG-CZ2 4.5Å; W120-W600 AromaticContact CG-NE1 3.93Å; W120-W600 AromaticContact CH2-CH2 3.74Å; W120-W600 HydrophobicContact CH2-CH2 3.74Å; W120-W600 AromaticContact CH2-CZ2 3.86Å; W120-W600 HydrophobicContact CH2-CZ2 3.86Å; W120-W600 HydrophobicContact CH2-CZ3 4.43Å; W120-W600 HydrophobicContact CZ2-CD2 4.13Å; W120-W600 AromaticContact CZ2-CE2 3.7Å; W120-W600 HydrophobicContact CZ2-CE3 4.16Å; W120-W600 AromaticContact CZ2-CH2 3.38Å; W120-W600 HydrophobicContact CZ2-CH2 3.38Å; W120-W600 AromaticContact CZ2-CZ2 3.31Å; W120-W600 HydrophobicContact CZ2-CZ2 3.31Å; W120-W600 AromaticContact CZ2-CZ3 3.82Å; W120-W600 HydrophobicContact CZ2-CZ3 3.82Å; W120-W600 HydrophobicContact CZ3-CZ2 4.35Å; W120-W600 AromaticContact NE1-CD1 3.5Å; W120-W600 AromaticContact NE1-CD2 3.58Å; W120-W600 AromaticContact NE1-CE2 3.12Å; W120-W600 AromaticContact NE1-CG 3.81Å; W120-W600 AromaticContact NE1-CZ2 3.63Å; W120-W600 AromaticContact NE1-NE1 3.05Å; W120-W600 PolarHBondContact NE1-O 3.01Å; W120-W600 PolarHBondContact O-NE1 2.9Å; W120-A603 HydrophobicContact CZ2-CB 4.5Å
121N90.9Very high90.2Very high4 Ų410.5 Ų10.52%0.0215%0.047CC..Hα-helixtrans-69.9-42.9174.1-176.140000112L117 I118 G119 V123 L124 E125 G397 F597L117-N121 WeakPolarHBondContact O-CB 3.12Å; L117-N121 PolarHBondContact O-N 2.87Å; I118-N121 WeakPolarHBondContact O-CB 3.47Å; I118-N121 PolarHBondContact O-N 3.44Å; G119-N121 VanDerWaalsContact C-N 3.3Å; G119-N121 PolarHBondContact O-N 3.28Å; N121-V123 VanDerWaalsContact C-N 3.33Å; N121-V123 PolarHBondContact O-N 3.12Å; N121-L124 WeakPolarHBondContact O-CB 3.24Å; N121-L124 PolarHBondContact O-N 2.97Å; N121-L124 VanDerWaalsContact O-N 3.14Å; N121-E125 PolarHBondContact O-N 3.28Å; N121-G397 PolarHBondContact ND2-O 2.91Å; N121-G397 WeakPolarHBondContact OD1-CA 3.43Å; N121-F597 WeakPolarHBondContact OD1-CE2 3.37Å
122V90.1Very high90.6Very high3 Ų310.5 Ų10.52%0.0185%0.047CC..Hα-helixtrans-65.7-36.1177.2174.80000111.5A102 I118 G119 L124 E125 Y126 I343 A401A102-V122 HydrophobicContact CB-CG2 4.17Å; I118-V122 HydrophobicContact CG2-CG2 4.29Å; I118-V122 VanDerWaalsContact O-CG2 3.25Å; I118-V122 WeakPolarHBondContact O-CG2 3.49Å; I118-V122 PolarHBondContact O-N 2.84Å; G119-V122 PolarHBondContact O-N 3.5Å; V122-L124 VanDerWaalsContact C-N 3.29Å; V122-L124 PolarHBondContact O-N 2.59Å; V122-E125 WeakPolarHBondContact O-CB 3.45Å; V122-E125 PolarHBondContact O-N 3.36Å; V122-Y126 HydrophobicContact CG1-CD2 3.64Å; V122-Y126 HydrophobicContact CG1-CE2 3.51Å; V122-Y126 VanDerWaalsContact O-CD2 3.32Å; V122-Y126 WeakPolarHBondContact O-CD2 3.44Å; V122-Y126 PolarHBondContact O-N 3.46Å; V122-I343 HydrophobicContact CG1-CD1 3.47Å; V122-I343 VanDerWaalsContact CG1-CD1 3.47Å; V122-A401 HydrophobicContact CG2-CB 4.38Å
123V91.4Very high90.8Very high3 Ų310.5 Ų10.52%0.0185%0.047CC..Hα-helixtrans-58.2-43.2171.9163.40000111G119 N121 M127 L340 I343 V344 M347 F374G119-V123 VanDerWaalsContact O-CG2 3.31Å; G119-V123 WeakPolarHBondContact O-CG2 3.45Å; G119-V123 PolarHBondContact O-N 3.28Å; N121-V123 VanDerWaalsContact C-N 3.33Å; N121-V123 PolarHBondContact O-N 3.12Å; V123-M127 VanDerWaalsContact O-CB 3.26Å; V123-M127 WeakPolarHBondContact O-CB 3.02Å; V123-M127 PolarHBondContact O-N 3.05Å; V123-L340 HydrophobicContact CB-CD1 4.12Å; V123-L340 HydrophobicContact CG1-CD1 3.94Å; V123-L340 HydrophobicContact CG2-CD1 4.25Å; V123-L340 VanDerWaalsContact O-CD1 3.24Å; V123-L340 WeakPolarHBondContact O-CD1 3.44Å; V123-I343 HydrophobicContact CG2-CG2 4.14Å; V123-V344 HydrophobicContact CG1-CG2 4.39Å; V123-V344 HydrophobicContact CG2-CG2 3.82Å; V123-M347 HydrophobicContact CG2-SD 4.22Å; V123-F374 HydrophobicContact CG1-CD1 4.37Å; V123-F374 HydrophobicContact CG1-CE1 3.64Å; V123-F374 HydrophobicContact CG1-CZ 4.24Å
124L89.9Confident91.1Very high2 Ų29.4 Ų9.41%0.014%0.041CC..Hα-helixtrans-67.7-41.3175.1176.4130.6000112.5W120 N121 V122 M127 I128 F393 W600W120-L124 PolarHBondContact O-N 3.45Å; N121-L124 WeakPolarHBondContact O-CB 3.24Å; N121-L124 PolarHBondContact O-N 2.97Å; N121-L124 VanDerWaalsContact O-N 3.14Å; V122-L124 VanDerWaalsContact C-N 3.29Å; V122-L124 PolarHBondContact O-N 2.59Å; L124-M127 PolarHBondContact O-N 3.48Å; L124-I128 HydrophobicContact CD1-CD1 3.97Å; L124-I128 HydrophobicContact CD2-CD1 3.34Å; L124-I128 HydrophobicContact CD2-CG1 4.38Å; L124-I128 HydrophobicContact CG-CD1 3.47Å; L124-I128 VanDerWaalsContact CG-CD1 3.47Å; L124-I128 HydrophobicContact CG-CG1 4.11Å; L124-I128 WeakPolarHBondContact O-CB 3.4Å; L124-I128 WeakPolarHBondContact O-CG1 3.27Å; L124-I128 PolarHBondContact O-N 3.28Å; L124-F393 HydrophobicContact CD1-CE1 3.68Å; L124-F393 HydrophobicContact CD1-CE2 4.48Å; L124-F393 HydrophobicContact CD1-CZ 3.51Å; L124-F393 HydrophobicContact CD2-CE1 4.25Å; L124-F393 HydrophobicContact CD2-CE2 4.26Å; L124-F393 HydrophobicContact CD2-CZ 3.98Å; L124-F393 HydrophobicContact CG-CE1 4.42Å; L124-F393 HydrophobicContact CG-CZ 4.35Å; L124-W600 HydrophobicContact CB-CD2 4.33Å; L124-W600 HydrophobicContact CB-CZ2 3.67Å; L124-W600 VanDerWaalsContact CB-NE1 3.32Å; L124-W600 HydrophobicContact CD1-CB 4.13Å; L124-W600 HydrophobicContact CD1-CD2 3.19Å; L124-W600 HydrophobicContact CD1-CE3 3.71Å; L124-W600 HydrophobicContact CD1-CG 3.37Å; L124-W600 HydrophobicContact CD1-CH2 4.31Å; L124-W600 HydrophobicContact CD1-CZ2 3.89Å; L124-W600 HydrophobicContact CD1-CZ3 4.23Å; L124-W600 HydrophobicContact CG-CD2 4.34Å; L124-W600 HydrophobicContact CG-CG 4.48Å; L124-W600 HydrophobicContact CG-CZ2 4.38Å
125E89.8Confident91.2Very high4 Ų44.9 Ų4.92%0.0192%0.024CC..Hα-helixtrans-54.2-55.4177168.9179177.400111.4N121 V122 M127 I128 G129 L394 T398N121-E125 PolarHBondContact O-N 3.28Å; V122-E125 WeakPolarHBondContact O-CB 3.45Å; V122-E125 PolarHBondContact O-N 3.36Å; E125-M127 VanDerWaalsContact C-N 3.31Å; E125-M127 PolarHBondContact O-N 3.38Å; E125-I128 PolarHBondContact O-N 2.94Å; E125-G129 PolarHBondContact O-N 2.88Å; E125-L394 VanDerWaalsContact CA-CD1 3.46Å; E125-L394 HydrophobicContact CB-CD1 3.92Å; E125-L394 HydrophobicContact CG-CD1 3.6Å; E125-L394 WeakPolarHBondContact O-CD1 3.36Å; E125-T398 HydrophobicContact CG-CG2 3.61Å; E125-T398 WeakPolarHBondContact OE1-CG2 3.32Å
126Y90.3Very high91.4Very high6 Ų65 Ų52%0.0243%0.025CC..Hα-helixtrans-65.9-34.2179.9-78.6-77.6000113V122 G130 D252 V253 N336 S339 I343V122-Y126 HydrophobicContact CG1-CD2 3.64Å; V122-Y126 HydrophobicContact CG1-CE2 3.51Å; V122-Y126 VanDerWaalsContact O-CD2 3.32Å; V122-Y126 WeakPolarHBondContact O-CD2 3.44Å; V122-Y126 PolarHBondContact O-N 3.46Å; Y126-G130 PolarHBondContact O-N 3.03Å; Y126-D252 PolarHBondContact OH-OD2 3.36Å; Y126-V253 HydrophobicContact CE1-CG2 4.08Å; Y126-N336 HydrophobicContact CD1-CB 4.37Å; Y126-N336 WeakPolarHBondContact CD1-OD1 3.37Å; Y126-S339 VanDerWaalsContact CE1-CB 3.48Å; Y126-I343 HydrophobicContact CD2-CD1 3.68Å; Y126-I343 HydrophobicContact CE2-CD1 3.44Å; Y126-I343 VanDerWaalsContact CE2-CD1 3.44Å
127M91.8Very high91.4Very high4 Ų46.4 Ų6.42%0.023%0.03CC..Hα-helixtrans-65.9-48.5177.4-178.7174.77300111.7V123 L124 E125 G130 A131 L340 F374 L377 M378 M381 W600V123-M127 VanDerWaalsContact O-CB 3.26Å; V123-M127 WeakPolarHBondContact O-CB 3.02Å; V123-M127 PolarHBondContact O-N 3.05Å; L124-M127 PolarHBondContact O-N 3.48Å; E125-M127 VanDerWaalsContact C-N 3.31Å; E125-M127 PolarHBondContact O-N 3.38Å; M127-G130 PolarHBondContact O-N 3.33Å; M127-A131 PolarHBondContact O-N 3.26Å; M127-A131 VanDerWaalsContact O-N 3.14Å; M127-L340 HydrophobicContact CB-CD2 4.16Å; M127-F374 HydrophobicContact SD-CD1 4.31Å; M127-L377 HydrophobicContact CE-CD2 4.2Å; M127-L377 HydrophobicContact SD-CB 4.24Å; M127-L377 HydrophobicContact SD-CD2 3.29Å; M127-L377 WeakPolarHBondContact SD-CD2 3.32Å; M127-L377 HydrophobicContact SD-CG 3.58Å; M127-L377 VanDerWaalsContact SD-CG 3.58Å; M127-M378 HydrophobicContact CB-CG 4.16Å; M127-M378 HydrophobicContact CG-CG 3.63Å; M127-M378 VanDerWaalsContact O-CG 3.31Å; M127-M378 WeakPolarHBondContact O-CG 3.3Å; M127-M381 HydrophobicContact CE-CE 4.46Å; M127-M381 HydrophobicContact CE-SD 3.48Å; M127-M381 WeakPolarHBondContact CE-SD 3.14Å; M127-M381 HydrophobicContact CG-SD 3.82Å; M127-M381 HydrophobicContact SD-SD 3.99Å; M127-W600 HydrophobicContact CE-CH2 4Å; M127-W600 HydrophobicContact CE-CZ3 4.4Å
128I91.8Very high91.5Very high0 Ų04.9 Ų4.90%02%0.023CC..Hα-helixtrans-68.7-39.2176.7-66.2173000110.8L124 E125 G130 A131 A132 M381 L390 F393 L394L124-I128 HydrophobicContact CD1-CD1 3.97Å; L124-I128 HydrophobicContact CD2-CD1 3.34Å; L124-I128 HydrophobicContact CD2-CG1 4.38Å; L124-I128 HydrophobicContact CG-CD1 3.47Å; L124-I128 VanDerWaalsContact CG-CD1 3.47Å; L124-I128 HydrophobicContact CG-CG1 4.11Å; L124-I128 WeakPolarHBondContact O-CB 3.4Å; L124-I128 WeakPolarHBondContact O-CG1 3.27Å; L124-I128 PolarHBondContact O-N 3.28Å; E125-I128 PolarHBondContact O-N 2.94Å; I128-G130 VanDerWaalsContact C-N 3.33Å; I128-G130 PolarHBondContact O-N 3.02Å; I128-A131 PolarHBondContact O-N 2.84Å; I128-A132 VanDerWaalsContact O-CB 3.31Å; I128-A132 WeakPolarHBondContact O-CB 3.26Å; I128-A132 PolarHBondContact O-N 2.84Å; I128-M381 HydrophobicContact CD1-CE 4.21Å; I128-M381 HydrophobicContact CG1-CE 3.57Å; I128-M381 HydrophobicContact CG1-SD 4.27Å; I128-L390 HydrophobicContact CG2-CB 3.93Å; I128-L390 HydrophobicContact CG2-CD2 3.88Å; I128-L390 WeakPolarHBondContact CG2-O 3.04Å; I128-F393 HydrophobicContact CD1-CB 4.33Å; I128-F393 HydrophobicContact CD1-CD1 3.16Å; I128-F393 HydrophobicContact CD1-CE1 3.44Å; I128-F393 VanDerWaalsContact CD1-CE1 3.44Å; I128-F393 HydrophobicContact CD1-CG 3.81Å; I128-F393 HydrophobicContact CD1-CZ 4.27Å; I128-F393 HydrophobicContact CG1-CD1 4.35Å; I128-L394 HydrophobicContact CB-CB 4.47Å; I128-L394 HydrophobicContact CB-CD1 4.33Å; I128-L394 HydrophobicContact CG2-CB 3.78Å; I128-L394 HydrophobicContact CG2-CD1 4.48Å
129G90.8Very high91.4Very high5 Ų55.3 Ų5.35%0.0523%0.027CC..Hα-helixtrans-57.6-45.3175.800000112E125 A132 V133 N336E125-G129 PolarHBondContact O-N 2.88Å; G129-A132 PolarHBondContact O-N 2.86Å; G129-V133 VanDerWaalsContact O-CG2 3.24Å; G129-V133 WeakPolarHBondContact O-CG2 3.34Å; G129-V133 PolarHBondContact O-N 3.29Å; G129-N336 VanDerWaalsContact C-ND2 3.27Å
130G92.4Very high91.3Very high0 Ų05.3 Ų5.30%03%0.027CC..Hα-helixtrans-60.3-45.3173.200000112.8Y126 M127 I128 A134 L333 N336Y126-G130 PolarHBondContact O-N 3.03Å; M127-G130 PolarHBondContact O-N 3.33Å; I128-G130 VanDerWaalsContact C-N 3.33Å; I128-G130 PolarHBondContact O-N 3.02Å; G130-A134 PolarHBondContact O-N 3.23Å; G130-A134 VanDerWaalsContact O-N 3.07Å; G130-L333 WeakPolarHBondContact O-CD1 3.49Å; G130-N336 PolarHBondContact N-ND2 3.05Å
131A93.9Very high91.1Very high0 Ų05.7 Ų5.70%03%0.03CC..Hα-helixtrans-64.5-43177.900000113.1M127 I128 A134 R135 M381 A382 L390M127-A131 PolarHBondContact O-N 3.26Å; M127-A131 VanDerWaalsContact O-N 3.14Å; I128-A131 PolarHBondContact O-N 2.84Å; A131-A134 PolarHBondContact O-N 3.27Å; A131-R135 PolarHBondContact O-N 3.12Å; A131-M381 HydrophobicContact CB-CB 3.94Å; A131-A382 HydrophobicContact CB-CB 4.06Å; A131-L390 HydrophobicContact CB-CD1 4.2Å; A131-L390 HydrophobicContact CB-CD2 4.22Å
132A92.1Very high91Very high0 Ų05.6 Ų5.60%03%0.03CC..Hα-helixtrans-63.1-43.8178.500000111.2I128 G129 R135 A136 L387 L390 V391I128-A132 VanDerWaalsContact O-CB 3.31Å; I128-A132 WeakPolarHBondContact O-CB 3.26Å; I128-A132 PolarHBondContact O-N 2.84Å; G129-A132 PolarHBondContact O-N 2.86Å; A132-R135 PolarHBondContact O-N 3.02Å; A132-A136 WeakPolarHBondContact O-CB 3.38Å; A132-A136 PolarHBondContact O-N 3.34Å; A132-L387 HydrophobicContact CB-CD1 4.09Å; A132-L387 WeakPolarHBondContact O-CD1 3.42Å; A132-L390 HydrophobicContact CB-CB 4Å; A132-V391 HydrophobicContact CB-CG2 4.37Å
133V92.8Very high90.7Very high1 Ų16 Ų61%0.0063%0.033CC..Hα-helixtrans-65.8-40.4177.6173.80000111.4G129 R135 A136 W137 M329 V332 L333G129-V133 VanDerWaalsContact O-CG2 3.24Å; G129-V133 WeakPolarHBondContact O-CG2 3.34Å; G129-V133 PolarHBondContact O-N 3.29Å; V133-R135 VanDerWaalsContact C-N 3.33Å; V133-R135 PolarHBondContact O-N 3.3Å; V133-A136 PolarHBondContact O-N 2.93Å; V133-W137 WeakPolarHBondContact O-CB 3.35Å; V133-W137 PolarHBondContact O-N 2.97Å; V133-M329 HydrophobicContact CG1-CB 3.92Å; V133-M329 HydrophobicContact CG1-CG 4.47Å; V133-M329 WeakPolarHBondContact CG1-O 3.3Å; V133-V332 HydrophobicContact CG1-CB 4.3Å; V133-V332 HydrophobicContact CG2-CB 4.19Å; V133-V332 HydrophobicContact CG2-CG1 3.71Å; V133-L333 HydrophobicContact CG1-CB 4.11Å
134A93.9Very high90.2Very high0 Ų08.5 Ų8.50%05%0.045CC..Hα-helixtrans-64.2-37.6175.300000112.3G130 A131 W137 S138 A173 I176 L177 L333 A382G130-A134 PolarHBondContact O-N 3.23Å; G130-A134 VanDerWaalsContact O-N 3.07Å; A131-A134 PolarHBondContact O-N 3.27Å; A134-W137 WeakPolarHBondContact O-CB 3.47Å; A134-W137 PolarHBondContact O-N 3.4Å; A134-S138 PolarHBondContact O-N 3.43Å; A134-A173 HydrophobicContact CB-CB 4.28Å; A134-A173 WeakPolarHBondContact O-CB 3.38Å; A134-I176 HydrophobicContact CB-CG2 4.17Å; A134-L177 HydrophobicContact CB-CD1 3.41Å; A134-L177 VanDerWaalsContact CB-CD1 3.41Å; A134-L177 HydrophobicContact CB-CG 3.67Å; A134-L333 HydrophobicContact CB-CD1 4.33Å; A134-A382 HydrophobicContact CB-CB 4.45Å
135R91.3Very high89.9Confident13 Ų1314.2 Ų14.25%0.0497%0.07CC..Hα-helixtrans-66.6-42.7173.6-80.3-71-79.1148.70.7112.6A131 A132 V133 W137 S138 G139 Y168 D170 A173 A382 F385 D386 L387 L390A131-R135 PolarHBondContact O-N 3.12Å; A132-R135 PolarHBondContact O-N 3.02Å; V133-R135 VanDerWaalsContact C-N 3.33Å; V133-R135 PolarHBondContact O-N 3.3Å; R135-W137 VanDerWaalsContact C-N 3.3Å; R135-W137 PolarHBondContact O-N 3.29Å; R135-S138 PolarHBondContact O-N 3.38Å; R135-G139 PolarHBondContact O-N 3.3Å; R135-Y168 PolarHBondContact NH1-OH 2.93Å; R135-D170 WeakPolarHBondContact CD-OD2 3.24Å; R135-D170 IonicContact CZ-OD2 3.1Å; R135-D170 IonicContact NE-OD2 4Å; R135-D170 VanDerWaalsContact NH1-CB 3.25Å; R135-D170 VanDerWaalsContact NH1-CG 3.32Å; R135-D170 IonicContact NH1-OD2 2.72Å; R135-D170 PolarHBondContact NH1-OD2 3.34Å; R135-A173 HydrophobicContact CG-CB 4.25Å; R135-A382 WeakPolarHBondContact CD-O 3.37Å; R135-A382 HydrophobicContact CG-CB 4.23Å; R135-F385 PolarHBondContact NE-O 2.9Å; R135-D386 IonicContact CZ-OD1 3.5Å; R135-D386 IonicContact NH2-OD1 3.99Å; R135-D386 PolarHBondContact NH2-OD1 3.35Å; R135-L387 HydrophobicContact CB-CB 4.43Å; R135-L387 HydrophobicContact CB-CD1 4.4Å; R135-L390 HydrophobicContact CG-CD1 4.04Å
136A91.2Very high89.4Confident2 Ų220.6 Ų20.62%0.01710%0.104CC..Hα-helixtrans-61.4-40.7173.600000111.6V57 A132 V133 Y140 M329 L387V57-A136 HydrophobicContact CG2-CB 4.09Å; A132-A136 WeakPolarHBondContact O-CB 3.38Å; A132-A136 PolarHBondContact O-N 3.34Å; V133-A136 PolarHBondContact O-N 2.93Å; A136-Y140 WeakPolarHBondContact O-CB 3.43Å; A136-Y140 PolarHBondContact O-N 3.16Å; A136-M329 HydrophobicContact CB-CE 4.21Å; A136-M329 HydrophobicContact CB-SD 4.29Å; A136-L387 HydrophobicContact CB-CD1 4.17Å; A136-L387 HydrophobicContact CB-CD2 4.22Å
137W92.1Very high89Confident30 Ų3022.7 Ų22.711%0.11411%0.114CC..Hα-helixtrans-61.3-48176.5-174.394.9000112.1V133 A134 R135 Y140 L141 L172 I176 M329V133-W137 WeakPolarHBondContact O-CB 3.35Å; V133-W137 PolarHBondContact O-N 2.97Å; A134-W137 WeakPolarHBondContact O-CB 3.47Å; A134-W137 PolarHBondContact O-N 3.4Å; R135-W137 VanDerWaalsContact C-N 3.3Å; R135-W137 PolarHBondContact O-N 3.29Å; W137-Y140 PolarHBondContact O-N 3.42Å; W137-L141 HydrophobicContact CH2-CD2 3.96Å; W137-L141 HydrophobicContact CZ3-CD2 4.1Å; W137-L141 WeakPolarHBondContact O-CB 3.39Å; W137-L141 PolarHBondContact O-N 3.13Å; W137-L172 HydrophobicContact CE3-CG 4.44Å; W137-L172 HydrophobicContact CZ3-CD1 3.91Å; W137-L172 HydrophobicContact CZ3-CD2 3.91Å; W137-L172 HydrophobicContact CZ3-CG 3.78Å; W137-I176 HydrophobicContact CD2-CG1 4.43Å; W137-I176 HydrophobicContact CE3-CB 4.31Å; W137-I176 HydrophobicContact CE3-CG1 4.37Å; W137-I176 HydrophobicContact CE3-CG2 4.06Å; W137-I176 HydrophobicContact CH2-CD1 4.36Å; W137-I176 HydrophobicContact CZ2-CD1 4.36Å; W137-I176 HydrophobicContact CZ3-CB 4.25Å; W137-I176 HydrophobicContact CZ3-CG1 4.41Å; W137-I176 HydrophobicContact CZ3-CG2 4.44Å; W137-M329 WeakPolarHBondContact CA-SD 3.49Å; W137-M329 HydrophobicContact CB-CB 4.45Å; W137-M329 HydrophobicContact CB-SD 3.96Å
138S91.6Very high88.4Confident2 Ų226.7 Ų26.71%0.01414%0.139CC..Hα-helixtrans-64-48.8178.41800000112.2A134 R135 Y140 L141 D142 D170 L172A134-S138 PolarHBondContact O-N 3.43Å; R135-S138 PolarHBondContact O-N 3.38Å; S138-Y140 VanDerWaalsContact C-N 3.31Å; S138-Y140 PolarHBondContact O-N 3.12Å; S138-L141 PolarHBondContact O-N 3.38Å; S138-D142 WeakPolarHBondContact O-CB 3.46Å; S138-D142 PolarHBondContact O-N 3.4Å; S138-D170 WeakPolarHBondContact CB-OD2 3.38Å; S138-D170 PolarHBondContact OG-OD1 3.42Å; S138-D170 PolarHBondContact OG-OD2 3.21Å; S138-L172 WeakPolarHBondContact OG-CD2 3.45Å
139G87.9Confident87.7Confident9 Ų929.2 Ų29.29%0.09315%0.152CC..Hα-helixtrans-63-36.1178.900000113.2R135 S143R135-G139 PolarHBondContact O-N 3.3Å; G139-S143 WeakPolarHBondContact O-CB 3.24Å; G139-S143 PolarHBondContact O-N 2.86Å
140Y88.9Confident87Confident1 Ų131.1 Ų31.10%0.00416%0.159CC..Hα-helixtrans-66.3-46.4175.1-164.3-80.9000111.5V57 A136 W137 S138 S143 M144 N302 S306 A322 S325 M329V57-Y140 HydrophobicContact CG2-CD2 4.15Å; A136-Y140 WeakPolarHBondContact O-CB 3.43Å; A136-Y140 PolarHBondContact O-N 3.16Å; W137-Y140 PolarHBondContact O-N 3.42Å; S138-Y140 VanDerWaalsContact C-N 3.31Å; S138-Y140 PolarHBondContact O-N 3.12Å; Y140-S143 PolarHBondContact O-N 2.86Å; Y140-M144 HydrophobicContact CD1-CG 4.42Å; Y140-M144 HydrophobicContact CD1-SD 4.19Å; Y140-M144 HydrophobicContact CE1-CG 4.33Å; Y140-M144 HydrophobicContact CE1-SD 4Å; Y140-M144 WeakPolarHBondContact O-CG 3.44Å; Y140-M144 PolarHBondContact O-N 3.47Å; Y140-N302 WeakPolarHBondContact CD2-O 3.21Å; Y140-S306 VanDerWaalsContact CZ-OG 3.3Å; Y140-S306 WeakPolarHBondContact OH-CB 3.18Å; Y140-S306 PolarHBondContact OH-OG 2.74Å; Y140-A322 HydrophobicContact CE1-CB 3.72Å; Y140-A322 WeakPolarHBondContact OH-CA 3.49Å; Y140-S325 WeakPolarHBondContact CD1-OG 3.41Å; Y140-S325 WeakPolarHBondContact CE1-OG 3.47Å; Y140-M329 HydrophobicContact CD2-CE 4.25Å; Y140-M329 HydrophobicContact CG-CE 4.42Å
141L88.8Confident86.3Confident31 Ų3135 Ų3516%0.16218%0.18CC..Hα-helixtrans-63-43177-164.381.8000111.3W137 S138 M144 F145 I149 L172 I326W137-L141 HydrophobicContact CH2-CD2 3.96Å; W137-L141 HydrophobicContact CZ3-CD2 4.1Å; W137-L141 WeakPolarHBondContact O-CB 3.39Å; W137-L141 PolarHBondContact O-N 3.13Å; S138-L141 PolarHBondContact O-N 3.38Å; L141-M144 WeakPolarHBondContact O-CB 3.23Å; L141-M144 PolarHBondContact O-N 3.41Å; L141-F145 HydrophobicContact CD1-CE2 4.11Å; L141-F145 HydrophobicContact CD2-CE2 4.39Å; L141-F145 HydrophobicContact CG-CD2 4.13Å; L141-F145 HydrophobicContact CG-CE2 3.92Å; L141-F145 VanDerWaalsContact O-CD2 3.22Å; L141-F145 WeakPolarHBondContact O-CD2 3.34Å; L141-F145 PolarHBondContact O-N 2.99Å; L141-I149 HydrophobicContact CD2-CD1 4.39Å; L141-L172 HydrophobicContact CD2-CD2 3.75Å; L141-I326 HydrophobicContact CD1-CD1 3.88Å
142D87.3Confident85.6Confident2 Ų241.8 Ų41.81%0.01121%0.206CC..Hα-helixtrans-63.4-42.9179.6-177.849.4000112.3S138 M144 F145 N146 H147 T148 I149 Q150S138-D142 WeakPolarHBondContact O-CB 3.46Å; S138-D142 PolarHBondContact O-N 3.4Å; D142-M144 VanDerWaalsContact C-N 3.3Å; D142-M144 PolarHBondContact O-N 3.35Å; D142-F145 CarbonylContact O-C 3.6Å; D142-F145 PolarHBondContact O-N 3.42Å; D142-N146 PolarHBondContact O-N 2.98Å; D142-H147 WeakPolarHBondContact O-CA 3.5Å; D142-H147 PolarHBondContact O-N 3.27Å; D142-H147 VanDerWaalsContact OD1-CA 3.27Å; D142-H147 WeakPolarHBondContact OD1-CA 3.25Å; D142-H147 WeakPolarHBondContact OD2-CA 3.25Å; D142-H147 IonicContact OD2-CG 3.6Å; D142-H147 IonicContact OD2-ND1 2.71Å; D142-H147 PolarHBondContact OD2-ND1 2.87Å; D142-H147 VanDerWaalsContact OD2-ND1 3.1Å; D142-T148 PolarHBondContact OD1-N 3.03Å; D142-I149 HydrophobicContact CB-CB 4.32Å; D142-I149 HydrophobicContact CB-CD1 4.48Å; D142-I149 VanDerWaalsContact OD1-CA 3.31Å; D142-I149 WeakPolarHBondContact OD1-CA 3.44Å; D142-I149 WeakPolarHBondContact OD1-CB 3.31Å; D142-I149 PolarHBondContact OD1-N 3.38Å; D142-Q150 PolarHBondContact OD1-N 2.7Å; D142-Q150 WeakPolarHBondContact OD2-CB 3.44Å
143S83.8Confident84.8Confident11 Ų1142.2 Ų42.28%0.07721%0.209CC..Hα-helixtrans-60.1-38.6174.81780000112G139 Y140 F145 N146 D300 S303G139-S143 WeakPolarHBondContact O-CB 3.24Å; G139-S143 PolarHBondContact O-N 2.86Å; Y140-S143 PolarHBondContact O-N 2.86Å; S143-F145 VanDerWaalsContact C-N 3.25Å; S143-F145 PolarHBondContact O-N 2.84Å; S143-N146 PolarHBondContact O-N 2.98Å; S143-D300 PolarHBondContact OG-OD2 3.39Å; S143-S303 VanDerWaalsContact OG-CB 3.31Å; S143-S303 WeakPolarHBondContact OG-CB 3.15Å; S143-S303 PolarHBondContact OG-OG 2.79Å
144M81.7Confident84Confident56 Ų5643.5 Ų43.528%0.27622%0.215SC..Hα-helixtrans-63.5-29.7174.5-68.8-176.672.700113.9Y140 L141 D142 N146 Y319 A322Y140-M144 HydrophobicContact CD1-CG 4.42Å; Y140-M144 HydrophobicContact CD1-SD 4.19Å; Y140-M144 HydrophobicContact CE1-CG 4.33Å; Y140-M144 HydrophobicContact CE1-SD 4Å; Y140-M144 WeakPolarHBondContact O-CG 3.44Å; Y140-M144 PolarHBondContact O-N 3.47Å; L141-M144 WeakPolarHBondContact O-CB 3.23Å; L141-M144 PolarHBondContact O-N 3.41Å; D142-M144 VanDerWaalsContact C-N 3.3Å; D142-M144 PolarHBondContact O-N 3.35Å; M144-N146 VanDerWaalsContact C-N 3.29Å; M144-Y319 HydrophobicContact CE-CD1 3.88Å; M144-Y319 HydrophobicContact CE-CE1 4.16Å; M144-A322 HydrophobicContact CE-CB 3.35Å; M144-A322 HydrophobicContact SD-CB 3.34Å; M144-A322 WeakPolarHBondContact SD-CB 3.23Å
145F84.2Confident83.1Confident122 Ų12249.1 Ų49.154%0.53525%0.245SC..THydrogen-bonded Turntrans-94.928.2174.9-68.7-71000112.1L141 D142 S143 H147 T148L141-F145 HydrophobicContact CD1-CE2 4.11Å; L141-F145 HydrophobicContact CD2-CE2 4.39Å; L141-F145 HydrophobicContact CG-CD2 4.13Å; L141-F145 HydrophobicContact CG-CE2 3.92Å; L141-F145 VanDerWaalsContact O-CD2 3.22Å; L141-F145 WeakPolarHBondContact O-CD2 3.34Å; L141-F145 PolarHBondContact O-N 2.99Å; D142-F145 CarbonylContact O-C 3.6Å; D142-F145 PolarHBondContact O-N 3.42Å; S143-F145 VanDerWaalsContact C-N 3.25Å; S143-F145 PolarHBondContact O-N 2.84Å; F145-H147 VanDerWaalsContact C-N 3.28Å; F145-H147 PolarHBondContact O-N 3.45Å; F145-T148 WeakPolarHBondContact O-CB 3.38Å; F145-T148 PolarHBondContact O-N 2.78Å; F145-T148 PolarHBondContact O-OG1 3.37Å
146N80.1Confident82.3Confident137 Ų13754.5 Ų54.573%0.73327%0.271SS*.THydrogen-bonded Turntrans5341.4179.1-68-23.4000113.5D142 S143 M144 T148D142-N146 PolarHBondContact O-N 2.98Å; S143-N146 PolarHBondContact O-N 2.98Å; M144-N146 VanDerWaalsContact C-N 3.29Å; N146-T148 PolarHBondContact O-N 3.28Å
147H81.3Confident81.2Confident51 Ų5158.3 Ų58.324%0.23629%0.29CS..THydrogen-bonded Turntrans59.226.8179.5-62.1-68.1000115D142 F145 I149 N151 D300D142-H147 WeakPolarHBondContact O-CA 3.5Å; D142-H147 PolarHBondContact O-N 3.27Å; D142-H147 VanDerWaalsContact OD1-CA 3.27Å; D142-H147 WeakPolarHBondContact OD1-CA 3.25Å; D142-H147 WeakPolarHBondContact OD2-CA 3.25Å; D142-H147 IonicContact OD2-CG 3.6Å; D142-H147 IonicContact OD2-ND1 2.71Å; D142-H147 PolarHBondContact OD2-ND1 2.87Å; D142-H147 VanDerWaalsContact OD2-ND1 3.1Å; F145-H147 VanDerWaalsContact C-N 3.28Å; F145-H147 PolarHBondContact O-N 3.45Å; H147-I149 VanDerWaalsContact C-N 3.33Å; H147-I149 PolarHBondContact O-N 2.79Å; H147-N151 VanDerWaalsContact O-CB 3.3Å; H147-N151 WeakPolarHBondContact O-CB 3.46Å; H147-N151 VanDerWaalsContact O-CG 3.24Å; H147-N151 PolarHBondContact O-N 3.04Å; H147-N151 PolarHBondContact O-ND2 3.42Å; H147-D300 IonicContact NE2-OD2 2.81Å
148T79.3Confident80Confident87 Ų8762.4 Ų62.453%0.53431%0.312SS..Hα-helixtrans-66.5-34.1-178.8-58.70000112.1D142 F145 N146 Y152D142-T148 PolarHBondContact OD1-N 3.03Å; F145-T148 WeakPolarHBondContact O-CB 3.38Å; F145-T148 PolarHBondContact O-N 2.78Å; F145-T148 PolarHBondContact O-OG1 3.37Å; N146-T148 PolarHBondContact O-N 3.28Å; T148-Y152 VanDerWaalsContact O-CB 3.28Å; T148-Y152 WeakPolarHBondContact O-CB 3.49Å; T148-Y152 PolarHBondContact O-N 3.37Å
149I77.3Confident79.2Confident54 Ų5467.5 Ų67.528%0.27733%0.334SS..Hα-helixtrans-74.2-42.9-177.6-50.5177.5000109.7L141 D142 H147 Y152 T153 L172L141-I149 HydrophobicContact CD2-CD1 4.39Å; D142-I149 HydrophobicContact CB-CB 4.32Å; D142-I149 HydrophobicContact CB-CD1 4.48Å; D142-I149 VanDerWaalsContact OD1-CA 3.31Å; D142-I149 WeakPolarHBondContact OD1-CA 3.44Å; D142-I149 WeakPolarHBondContact OD1-CB 3.31Å; D142-I149 PolarHBondContact OD1-N 3.38Å; H147-I149 VanDerWaalsContact C-N 3.33Å; H147-I149 PolarHBondContact O-N 2.79Å; I149-Y152 PolarHBondContact O-N 3.22Å; I149-T153 WeakPolarHBondContact O-CB 3.15Å; I149-T153 PolarHBondContact O-N 3.32Å; I149-T153 PolarHBondContact O-OG1 3.46Å; I149-L172 HydrophobicContact CD1-CD2 3.84Å
150Q75.5Confident78.5Confident44 Ų4470.6 Ų70.621%0.20634%0.342CS..Hα-helixtrans-60-50.8171.3175.3171.9-0.400110.8D142 Y152 T153 E154 Y168D142-Q150 PolarHBondContact OD1-N 2.7Å; D142-Q150 WeakPolarHBondContact OD2-CB 3.44Å; Q150-Y152 VanDerWaalsContact C-N 3.32Å; Q150-Y152 PolarHBondContact O-N 3.44Å; Q150-T153 PolarHBondContact O-N 2.93Å; Q150-E154 HydrophobicContact CG-CG 4.28Å; Q150-E154 WeakPolarHBondContact CG-OE1 3.43Å; Q150-E154 PolarHBondContact NE2-OE1 3.35Å; Q150-E154 VanDerWaalsContact O-CB 3.25Å; Q150-E154 WeakPolarHBondContact O-CB 3.42Å; Q150-E154 WeakPolarHBondContact O-CG 3.36Å; Q150-E154 PolarHBondContact O-N 3.17Å; Q150-Y168 HydrophobicContact CB-CE1 4.23Å; Q150-Y168 VanDerWaalsContact CD-CE1 3.41Å; Q150-Y168 HydrophobicContact CG-CD1 3.86Å; Q150-Y168 HydrophobicContact CG-CE1 3.53Å
151N77.5Confident77.3Confident81 Ų8177.9 Ų77.943%0.43338%0.382SS..Hα-helixtrans-60.1-39.8179.5-77.4-28.1000112.6H147 N155H147-N151 VanDerWaalsContact O-CB 3.3Å; H147-N151 WeakPolarHBondContact O-CB 3.46Å; H147-N151 VanDerWaalsContact O-CG 3.24Å; H147-N151 PolarHBondContact O-N 3.04Å; H147-N151 PolarHBondContact O-ND2 3.42Å; N151-N155 VanDerWaalsContact O-CB 3.26Å; N151-N155 WeakPolarHBondContact O-CB 3.49Å; N151-N155 PolarHBondContact O-N 2.82Å; N151-N155 VanDerWaalsContact O-N 3.07Å; N151-N155 PolarHBondContact O-ND2 3.12Å
152Y78.8Confident76.4Confident143 Ų14380.3 Ų80.356%0.56140%0.398SS*.Hα-helixtrans-64.3-46.5176.5-178-93.4000111.7T148 I149 Q150 N155 H156T148-Y152 VanDerWaalsContact O-CB 3.28Å; T148-Y152 WeakPolarHBondContact O-CB 3.49Å; T148-Y152 PolarHBondContact O-N 3.37Å; I149-Y152 PolarHBondContact O-N 3.22Å; Q150-Y152 VanDerWaalsContact C-N 3.32Å; Q150-Y152 PolarHBondContact O-N 3.44Å; Y152-N155 PolarHBondContact O-N 2.91Å; Y152-H156 AromaticContact CD2-CE1 3.71Å; Y152-H156 AromaticContact CD2-ND1 3.51Å; Y152-H156 HydrophobicContact CE1-CB 4.41Å; Y152-H156 AromaticContact CE2-CE1 3.62Å; Y152-H156 AromaticContact CE2-CG 3.97Å; Y152-H156 AromaticContact CE2-ND1 3.53Å; Y152-H156 AromaticContact CG-ND1 3.99Å; Y152-H156 WeakPolarHBondContact O-CB 3.13Å; Y152-H156 PolarHBondContact O-N 3.47Å; Y152-H156 PolarHBondContact O-ND1 3.33Å; Y152-H156 VanDerWaalsContact O-ND1 3.11Å
153T76.3Confident75.1Confident10 Ų1084.4 Ų84.46%0.06142%0.424CS..Hα-helixtrans-64.4-43.6-179.8-56.40000111.4I149 Q150 N155 I157 Y168 P169I149-T153 WeakPolarHBondContact O-CB 3.15Å; I149-T153 PolarHBondContact O-N 3.32Å; I149-T153 PolarHBondContact O-OG1 3.46Å; Q150-T153 PolarHBondContact O-N 2.93Å; T153-N155 VanDerWaalsContact C-N 3.29Å; T153-N155 PolarHBondContact O-N 3.19Å; T153-I157 HydrophobicContact CG2-CB 4.35Å; T153-I157 HydrophobicContact CG2-CD1 3.85Å; T153-I157 WeakPolarHBondContact O-CB 3.5Å; T153-I157 PolarHBondContact O-N 3.28Å; T153-Y168 HydrophobicContact CG2-CD2 4.11Å; T153-P169 WeakPolarHBondContact CG2-O 3.47Å
154E76.1Confident74Confident28 Ų2891.1 Ų91.113%0.13145%0.449CS..Hα-helixtrans-62.3-34.2176.4-85.5-166.2-158.500113.4Q150 K159 H167Q150-E154 HydrophobicContact CG-CG 4.28Å; Q150-E154 WeakPolarHBondContact CG-OE1 3.43Å; Q150-E154 PolarHBondContact NE2-OE1 3.35Å; Q150-E154 VanDerWaalsContact O-CB 3.25Å; Q150-E154 WeakPolarHBondContact O-CB 3.42Å; Q150-E154 WeakPolarHBondContact O-CG 3.36Å; Q150-E154 PolarHBondContact O-N 3.17Å; E154-K159 VanDerWaalsContact CB-CE 3.46Å; E154-K159 HydrophobicContact CB-CG 4.4Å; E154-K159 HydrophobicContact CG-CG 4.3Å; E154-K159 WeakPolarHBondContact O-CE 3.06Å; E154-K159 WeakPolarHBondContact OE2-CE 3.38Å; E154-K159 IonicContact OE2-NZ 3.21Å; E154-K159 PolarHBondContact OE2-NZ 2.9Å; E154-H167 IonicContact OE1-CE1 2.73Å; E154-H167 IonicContact OE1-ND1 2.8Å; E154-H167 IonicContact OE2-CE1 3.1Å
155N74.9Confident73.5Confident117 Ų11791.3 Ų91.363%0.62645%0.451SS*.Hα-helixtrans-88.6-30.3-177.1-69.5-23.7000113.6N151 Y152 T153N151-N155 VanDerWaalsContact O-CB 3.26Å; N151-N155 WeakPolarHBondContact O-CB 3.49Å; N151-N155 PolarHBondContact O-N 2.82Å; N151-N155 VanDerWaalsContact O-N 3.07Å; N151-N155 PolarHBondContact O-ND2 3.12Å; Y152-N155 PolarHBondContact O-N 2.91Å; T153-N155 VanDerWaalsContact C-N 3.29Å; T153-N155 PolarHBondContact O-N 3.19Å
156H73.3Confident72.7Confident127 Ų12785.6 Ų85.659%0.58843%0.426SS*.Hα-helixtrans-110.3-24.2-172-66.484.5000115.3Y152Y152-H156 AromaticContact CD2-CE1 3.71Å; Y152-H156 AromaticContact CD2-ND1 3.51Å; Y152-H156 HydrophobicContact CE1-CB 4.41Å; Y152-H156 AromaticContact CE2-CE1 3.62Å; Y152-H156 AromaticContact CE2-CG 3.97Å; Y152-H156 AromaticContact CE2-ND1 3.53Å; Y152-H156 AromaticContact CG-ND1 3.99Å; Y152-H156 WeakPolarHBondContact O-CB 3.13Å; Y152-H156 PolarHBondContact O-N 3.47Å; Y152-H156 PolarHBondContact O-ND1 3.33Å; Y152-H156 VanDerWaalsContact O-ND1 3.11Å
157I69.2Low72.2Confident81 Ų8183.5 Ų83.542%0.41541%0.411SS..THydrogen-bonded Turntrans-104.6-77.6-172.7-64.2160.2000110.5T153 P169 L171T153-I157 HydrophobicContact CG2-CB 4.35Å; T153-I157 HydrophobicContact CG2-CD1 3.85Å; T153-I157 WeakPolarHBondContact O-CB 3.5Å; T153-I157 PolarHBondContact O-N 3.28Å; I157-P169 HydrophobicContact CG2-CG 4.18Å; I157-L171 HydrophobicContact CD1-CD1 3.36Å; I157-L171 HydrophobicContact CD1-CG 4.43Å
158M66.6Low72Confident117 Ų11782 Ų8258%0.57640%0.404SS*.  trans-173141.1-179.5-145.1173-161.300110.8
159K73.9Confident72.2Confident108 Ų10878.3 Ų78.347%0.4738%0.381SS..  trans-96.7126.6164.2-65.7-173.7176.7-158.50109.1E154E154-K159 VanDerWaalsContact CB-CE 3.46Å; E154-K159 HydrophobicContact CB-CG 4.4Å; E154-K159 HydrophobicContact CG-CG 4.3Å; E154-K159 WeakPolarHBondContact O-CE 3.06Å; E154-K159 WeakPolarHBondContact OE2-CE 3.38Å; E154-K159 IonicContact OE2-NZ 3.21Å; E154-K159 PolarHBondContact OE2-NZ 2.9Å
160W73.4Confident72.6Confident74 Ų7475.9 Ų75.928%0.2837%0.369SS..  trans-97.5104.7173.7-70.8-10.7000108.8V162 I165 H167 P169 I384W160-V162 PolarHBondContact O-N 3.3Å; W160-I165 HydrophobicContact CD2-CG2 4.27Å; W160-I165 HydrophobicContact CE3-CG2 3.25Å; W160-I165 HydrophobicContact CZ3-CG2 3.54Å; W160-H167 PolarHBondContact N-O 2.9Å; W160-P169 HydrophobicContact CH2-CB 4.34Å; W160-P169 HydrophobicContact CZ3-CB 4.47Å; W160-I384 HydrophobicContact CH2-CG1 4.32Å; W160-I384 HydrophobicContact CZ3-CB 4.46Å; W160-I384 HydrophobicContact CZ3-CG1 4.35Å; W160-I384 HydrophobicContact CZ3-CG2 4.3Å
161N63.9Low73.3Confident155 Ų15578.3 Ų78.383%0.82938%0.383SS*.  trans-94.241.2177.1-157.822.6000111.5
162V70.1Confident73.9Confident82 Ų8276.8 Ų76.850%0.49737%0.374SS..  trans-100.9124.6174.7-171.20000106.6W160 Y164 I165W160-V162 PolarHBondContact O-N 3.3Å; V162-Y164 PolarHBondContact O-N 2.88Å; V162-I165 HydrophobicContact CB-CD1 4.27Å; V162-I165 HydrophobicContact CG1-CD1 4.24Å; V162-I165 PolarHBondContact O-N 3.08Å
163P61.3Low74.5Confident88 Ų8870 Ų7057%0.57135%0.347SS*.THydrogen-bonded Turntrans-55.4146.2172.323.4-31.2000109.1I165P163-I165 VanDerWaalsContact C-N 3.33Å; P163-I165 PolarHBondContact O-N 3.34Å
164Y60.1Low75.3Confident151 Ų15170.2 Ų70.259%0.59235%0.35SS*.THydrogen-bonded Turntrans79.1-6.4175.8-38.8-69000117.7V162 M592 R596V162-Y164 PolarHBondContact O-N 2.88Å; Y164-M592 HydrophobicContact CD1-CG 4.27Å; Y164-M592 HydrophobicContact CG-CE 4.44Å; Y164-R596 PolarHBondContact O-NH2 3.5Å; Y164-R596 VanDerWaalsContact O-NH2 3.14Å
165I70.4Confident76.1Confident61 Ų6170.5 Ų70.531%0.31336%0.361SS..SBendtrans-107.4152.8170.8-58.3-178.9000108.1W160 V162 P163 H167 I384W160-I165 HydrophobicContact CD2-CG2 4.27Å; W160-I165 HydrophobicContact CE3-CG2 3.25Å; W160-I165 HydrophobicContact CZ3-CG2 3.54Å; V162-I165 HydrophobicContact CB-CD1 4.27Å; V162-I165 HydrophobicContact CG1-CD1 4.24Å; V162-I165 PolarHBondContact O-N 3.08Å; P163-I165 VanDerWaalsContact C-N 3.33Å; P163-I165 PolarHBondContact O-N 3.34Å; I165-H167 PolarHBondContact O-N 3Å; I165-I384 HydrophobicContact CG2-CG2 3.96Å; I165-I384 VanDerWaalsContact CG2-O 3.23Å; I165-I384 WeakPolarHBondContact CG2-O 3.26Å
166A66.8Low77Confident1 Ų166.5 Ų66.51%0.00834%0.339CS..  trans-53.5138.4174.400000111Y168 I384 D386A166-Y168 WeakPolarHBondContact CB-O 3.4Å; A166-Y168 PolarHBondContact O-N 3.36Å; A166-I384 VanDerWaalsContact CB-O 3.29Å; A166-I384 WeakPolarHBondContact CB-O 3.39Å; A166-I384 PolarHBondContact N-O 3.48Å; A166-D386 HydrophobicContact CB-CB 4.38Å
167H71.2Confident78Confident93 Ų9360.5 Ų60.543%0.43131%0.311SS..SBendtrans-58.1-30.8-179.8-176.5-69.9000112.1E154 W160 I165E154-H167 IonicContact OE1-CE1 2.73Å; E154-H167 IonicContact OE1-ND1 2.8Å; E154-H167 IonicContact OE2-CE1 3.1Å; W160-H167 PolarHBondContact N-O 2.9Å; I165-H167 PolarHBondContact O-N 3Å
168Y75.4Confident79.2Confident20 Ų2059.4 Ų59.48%0.07831%0.309CS..SBendtrans-138.4147.8173.363.8-90.6000109.9R135 Q150 T153 A166 D170R135-Y168 PolarHBondContact NH1-OH 2.93Å; Q150-Y168 HydrophobicContact CB-CE1 4.23Å; Q150-Y168 VanDerWaalsContact CD-CE1 3.41Å; Q150-Y168 HydrophobicContact CG-CD1 3.86Å; Q150-Y168 HydrophobicContact CG-CE1 3.53Å; T153-Y168 HydrophobicContact CG2-CD2 4.11Å; A166-Y168 WeakPolarHBondContact CB-O 3.4Å; A166-Y168 PolarHBondContact O-N 3.36Å; Y168-D170 HydrophobicContact CE2-CB 4.09Å; Y168-D170 PolarHBondContact O-N 3.42Å
169P83.5Confident80.4Confident9 Ų958.2 Ų58.26%0.05831%0.307CS..  trans-72120.6172.928.6-32.9000110.4T153 I157 W160 L171 L383T153-P169 WeakPolarHBondContact CG2-O 3.47Å; I157-P169 HydrophobicContact CG2-CG 4.18Å; W160-P169 HydrophobicContact CH2-CB 4.34Å; W160-P169 HydrophobicContact CZ3-CB 4.47Å; P169-L171 PolarHBondContact O-N 2.78Å; P169-L171 VanDerWaalsContact O-N 3.15Å; P169-L383 WeakPolarHBondContact CA-O 3.47Å; P169-L383 HydrophobicContact CB-CD1 4.16Å; P169-L383 HydrophobicContact CB-CG 4.06Å
170D87.4Confident81.3Confident4 Ų453.5 Ų53.52%0.02129%0.289CS..  trans-86.489.8-177.6-170.1-12.6000112.3R135 S138 Y168 L172 A173 A174 L383R135-D170 WeakPolarHBondContact CD-OD2 3.24Å; R135-D170 IonicContact CZ-OD2 3.1Å; R135-D170 IonicContact NE-OD2 4Å; R135-D170 VanDerWaalsContact NH1-CB 3.25Å; R135-D170 VanDerWaalsContact NH1-CG 3.32Å; R135-D170 IonicContact NH1-OD2 2.72Å; R135-D170 PolarHBondContact NH1-OD2 3.34Å; S138-D170 WeakPolarHBondContact CB-OD2 3.38Å; S138-D170 PolarHBondContact OG-OD1 3.42Å; S138-D170 PolarHBondContact OG-OD2 3.21Å; Y168-D170 HydrophobicContact CE2-CB 4.09Å; Y168-D170 PolarHBondContact O-N 3.42Å; D170-L172 VanDerWaalsContact C-N 3.25Å; D170-L172 PolarHBondContact O-N 3.21Å; D170-L172 WeakPolarHBondContact OD1-CB 3.36Å; D170-L172 PolarHBondContact OD1-N 3.42Å; D170-A173 HydrophobicContact CB-CB 4.03Å; D170-A173 VanDerWaalsContact CG-CB 3.42Å; D170-A173 PolarHBondContact O-N 3.22Å; D170-A173 PolarHBondContact OD1-N 2.97Å; D170-A173 WeakPolarHBondContact OD2-CB 3.06Å; D170-A174 PolarHBondContact O-N 3.4Å; D170-L383 PolarHBondContact N-O 3.4Å
171L88.6Confident82.1Confident94 Ų9450.2 Ų50.249%0.49228%0.277SS..Hα-helixtrans-65-28.8177.5-66.8177.3000113I157 P169 G175 L383I157-L171 HydrophobicContact CD1-CD1 3.36Å; I157-L171 HydrophobicContact CD1-CG 4.43Å; P169-L171 PolarHBondContact O-N 2.78Å; P169-L171 VanDerWaalsContact O-N 3.15Å; L171-G175 PolarHBondContact O-N 2.93Å; L171-L383 HydrophobicContact CD2-CD1 3.68Å; L171-L383 HydrophobicContact CG-CD1 4.43Å
172L90.2Very high83.4Confident49 Ų4946.9 Ų46.926%0.25726%0.258SS..Hα-helixtrans-71.9-45.2-179.3178.967.7000110.3W137 S138 L141 I149 D170 A174 G175 I176W137-L172 HydrophobicContact CE3-CG 4.44Å; W137-L172 HydrophobicContact CZ3-CD1 3.91Å; W137-L172 HydrophobicContact CZ3-CD2 3.91Å; W137-L172 HydrophobicContact CZ3-CG 3.78Å; S138-L172 WeakPolarHBondContact OG-CD2 3.45Å; L141-L172 HydrophobicContact CD2-CD2 3.75Å; I149-L172 HydrophobicContact CD1-CD2 3.84Å; D170-L172 VanDerWaalsContact C-N 3.25Å; D170-L172 PolarHBondContact O-N 3.21Å; D170-L172 WeakPolarHBondContact OD1-CB 3.36Å; D170-L172 PolarHBondContact OD1-N 3.42Å; L172-A174 PolarHBondContact O-N 3.16Å; L172-G175 PolarHBondContact O-N 3.2Å; L172-I176 PolarHBondContact O-N 3Å
173A91.4Very high84.3Confident0 Ų046.2 Ų46.20%025%0.249CC..Hα-helixtrans-61.2-42.1174.300000112.2A134 R135 D170 I176 L177 A382A134-A173 HydrophobicContact CB-CB 4.28Å; A134-A173 WeakPolarHBondContact O-CB 3.38Å; R135-A173 HydrophobicContact CG-CB 4.25Å; D170-A173 HydrophobicContact CB-CB 4.03Å; D170-A173 VanDerWaalsContact CG-CB 3.42Å; D170-A173 PolarHBondContact O-N 3.22Å; D170-A173 PolarHBondContact OD1-N 2.97Å; D170-A173 WeakPolarHBondContact OD2-CB 3.06Å; A173-I176 VanDerWaalsContact O-CG2 3.25Å; A173-I176 WeakPolarHBondContact O-CG2 3.49Å; A173-L177 PolarHBondContact O-N 2.98Å; A173-A382 HydrophobicContact CB-CB 4.11Å
174A93.4Very high85.5Confident15 Ų1542 Ų4212%0.12422%0.222CC..Hα-helixtrans-64.8-42.1174.700000111.8D170 L172 L177 V178 A379 L383D170-A174 PolarHBondContact O-N 3.4Å; L172-A174 PolarHBondContact O-N 3.16Å; A174-L177 PolarHBondContact O-N 3.5Å; A174-V178 WeakPolarHBondContact O-CG2 3.44Å; A174-V178 PolarHBondContact O-N 2.86Å; A174-A379 HydrophobicContact CB-CB 4.36Å; A174-L383 HydrophobicContact CB-CB 4.29Å; A174-L383 HydrophobicContact CB-CD1 4.01Å
175G93.3Very high86.6Confident34 Ų3436.2 Ų36.235%0.35120%0.202SC..Hα-helixtrans-61.5-48179.200000113.1L171 L172 L177 V178 V179L171-G175 PolarHBondContact O-N 2.93Å; L172-G175 PolarHBondContact O-N 3.2Å; G175-L177 VanDerWaalsContact C-N 3.29Å; G175-L177 PolarHBondContact O-N 3.49Å; G175-V178 PolarHBondContact O-N 3.25Å; G175-V179 WeakPolarHBondContact O-CG2 3.41Å; G175-V179 PolarHBondContact O-N 2.86Å
176I92.7Very high87.2Confident34 Ų3441 Ų4117%0.17422%0.22CC..Hα-helixtrans-63.9-35.8178.8-168.264.5000111.7A134 W137 L172 A173 V179 A180 L333A134-I176 HydrophobicContact CB-CG2 4.17Å; W137-I176 HydrophobicContact CD2-CG1 4.43Å; W137-I176 HydrophobicContact CE3-CB 4.31Å; W137-I176 HydrophobicContact CE3-CG1 4.37Å; W137-I176 HydrophobicContact CE3-CG2 4.06Å; W137-I176 HydrophobicContact CH2-CD1 4.36Å; W137-I176 HydrophobicContact CZ2-CD1 4.36Å; W137-I176 HydrophobicContact CZ3-CB 4.25Å; W137-I176 HydrophobicContact CZ3-CG1 4.41Å; W137-I176 HydrophobicContact CZ3-CG2 4.44Å; L172-I176 PolarHBondContact O-N 3Å; A173-I176 VanDerWaalsContact O-CG2 3.25Å; A173-I176 WeakPolarHBondContact O-CG2 3.49Å; I176-V179 PolarHBondContact O-N 3.42Å; I176-A180 WeakPolarHBondContact O-CB 3.35Å; I176-A180 PolarHBondContact O-N 3.49Å; I176-L333 HydrophobicContact CG1-CD2 4.37Å
177L94.1Very high87.5Confident0 Ų041.5 Ų41.50%023%0.226CC..Hα-helixtrans-65-43.7175-96162.4000112.6A134 A173 A174 G175 V179 A180 T181 L333 L337 M378 A379 A382A134-L177 HydrophobicContact CB-CD1 3.41Å; A134-L177 VanDerWaalsContact CB-CD1 3.41Å; A134-L177 HydrophobicContact CB-CG 3.67Å; A173-L177 PolarHBondContact O-N 2.98Å; A174-L177 PolarHBondContact O-N 3.5Å; G175-L177 VanDerWaalsContact C-N 3.29Å; G175-L177 PolarHBondContact O-N 3.49Å; L177-V179 VanDerWaalsContact C-N 3.34Å; L177-A180 PolarHBondContact O-N 3.12Å; L177-T181 VanDerWaalsContact O-CB 3.31Å; L177-T181 WeakPolarHBondContact O-CB 3.48Å; L177-T181 PolarHBondContact O-N 2.74Å; L177-T181 PolarHBondContact O-OG1 3.42Å; L177-L333 HydrophobicContact CD2-CD1 3.59Å; L177-L333 HydrophobicContact CG-CD1 4.12Å; L177-L337 HydrophobicContact CD2-CD1 4.37Å; L177-M378 HydrophobicContact CD1-CB 4.25Å; L177-M378 HydrophobicContact CD2-CB 3.94Å; L177-A379 HydrophobicContact CB-CB 3.94Å; L177-A382 HydrophobicContact CD1-CB 3.58Å
178V94.4Very high87.4Confident59 Ų5939.2 Ų39.236%0.35822%0.219SC..Hα-helixtrans-62.7-44.3175.8171.50000110.4A174 G175 T181 I182 A379A174-V178 WeakPolarHBondContact O-CG2 3.44Å; A174-V178 PolarHBondContact O-N 2.86Å; G175-V178 PolarHBondContact O-N 3.25Å; V178-T181 PolarHBondContact O-N 2.89Å; V178-I182 HydrophobicContact CG1-CD1 3.81Å; V178-I182 HydrophobicContact CG1-CG1 4.5Å; V178-I182 VanDerWaalsContact O-CG1 3.3Å; V178-I182 WeakPolarHBondContact O-CG1 3.29Å; V178-I182 PolarHBondContact O-N 3.2Å; V178-A379 HydrophobicContact CG2-CB 4.03Å
179V93.2Very high87.2Confident91 Ų9149.3 Ų49.355%0.55226%0.256SS*.Hα-helixtrans-60.9-46.9176.41720000111.1G175 I176 L177 T181 I182 F183G175-V179 WeakPolarHBondContact O-CG2 3.41Å; G175-V179 PolarHBondContact O-N 2.86Å; I176-V179 PolarHBondContact O-N 3.42Å; L177-V179 VanDerWaalsContact C-N 3.34Å; V179-T181 VanDerWaalsContact C-N 3.33Å; V179-T181 PolarHBondContact O-N 3.22Å; V179-I182 PolarHBondContact O-N 2.98Å; V179-F183 VanDerWaalsContact O-CB 3.29Å; V179-F183 WeakPolarHBondContact O-CB 3.15Å; V179-F183 PolarHBondContact O-N 2.73Å
180A91.7Very high86.8Confident9 Ų953.2 Ų53.27%0.07428%0.28CS..Hα-helixtrans-63-38.9177.600000112.2I176 L177 F183 I184 L333 L334 L337I176-A180 WeakPolarHBondContact O-CB 3.35Å; I176-A180 PolarHBondContact O-N 3.49Å; L177-A180 PolarHBondContact O-N 3.12Å; A180-F183 WeakPolarHBondContact O-CB 3.47Å; A180-F183 PolarHBondContact O-N 2.99Å; A180-I184 WeakPolarHBondContact O-CG1 3.42Å; A180-I184 PolarHBondContact O-N 3.42Å; A180-L333 HydrophobicContact CB-CD2 4.07Å; A180-L333 HydrophobicContact CB-CG 4.46Å; A180-L334 HydrophobicContact CB-CD2 4.37Å; A180-L337 HydrophobicContact CB-CD1 3.58Å
181T92.1Very high86.2Confident6 Ų653 Ų534%0.03728%0.279CS..Hα-helixtrans-64-45.3176.9-59.10000111.5L177 V178 V179 F183 T185 I371 L372 G375L177-T181 VanDerWaalsContact O-CB 3.31Å; L177-T181 WeakPolarHBondContact O-CB 3.48Å; L177-T181 PolarHBondContact O-N 2.74Å; L177-T181 PolarHBondContact O-OG1 3.42Å; V178-T181 PolarHBondContact O-N 2.89Å; V179-T181 VanDerWaalsContact C-N 3.33Å; V179-T181 PolarHBondContact O-N 3.22Å; T181-F183 VanDerWaalsContact C-N 3.34Å; T181-T185 PolarHBondContact O-N 3.5Å; T181-T185 PolarHBondContact O-OG1 3.39Å; T181-I371 HydrophobicContact CG2-CG2 3.69Å; T181-I371 WeakPolarHBondContact CG2-O 3.35Å; T181-L372 HydrophobicContact CG2-CD2 4.3Å; T181-G375 WeakPolarHBondContact OG1-CA 3.34Å
182I90.2Very high85.6Confident84 Ų8450.9 Ų50.943%0.43127%0.272SS..Hα-helixtrans-63.2-44.2175.2-68.9167000109.9V178 V179 I184 T185 F186V178-I182 HydrophobicContact CG1-CD1 3.81Å; V178-I182 HydrophobicContact CG1-CG1 4.5Å; V178-I182 VanDerWaalsContact O-CG1 3.3Å; V178-I182 WeakPolarHBondContact O-CG1 3.29Å; V178-I182 PolarHBondContact O-N 3.2Å; V179-I182 PolarHBondContact O-N 2.98Å; I182-I184 PolarHBondContact O-N 3.33Å; I182-T185 WeakPolarHBondContact O-CB 3.14Å; I182-T185 PolarHBondContact O-N 3.33Å; I182-T185 VanDerWaalsContact O-N 3.15Å; I182-F186 HydrophobicContact CG2-CD2 4.49Å; I182-F186 HydrophobicContact CG2-CE2 3.65Å; I182-F186 HydrophobicContact CG2-CZ 4.24Å; I182-F186 VanDerWaalsContact O-CD2 3.28Å; I182-F186 WeakPolarHBondContact O-CD2 3.31Å
183F88.4Confident85.1Confident69 Ų6956.5 Ų56.530%0.30329%0.29SS..Hα-helixtrans-58.2-46.7180-178.2-102.2000112.4V179 A180 T181 T185 F186 V190 L194 L334V179-F183 VanDerWaalsContact O-CB 3.29Å; V179-F183 WeakPolarHBondContact O-CB 3.15Å; V179-F183 PolarHBondContact O-N 2.73Å; A180-F183 WeakPolarHBondContact O-CB 3.47Å; A180-F183 PolarHBondContact O-N 2.99Å; T181-F183 VanDerWaalsContact C-N 3.34Å; F183-T185 PolarHBondContact O-N 2.89Å; F183-F186 PolarHBondContact O-N 2.95Å; F183-V190 HydrophobicContact CZ-CG1 4.01Å; F183-L194 HydrophobicContact CE1-CD1 3.7Å; F183-L194 HydrophobicContact CE2-CD1 4.17Å; F183-L194 HydrophobicContact CZ-CD1 3.28Å; F183-L334 HydrophobicContact CD1-CD2 4.29Å
184I86.1Confident84.7Confident0 Ų058.5 Ų58.50%030%0.3CS..Hα-helixtrans-65.8-28.5179.9-72.1172.9000112.3A180 I182 F186 G187 L334 L337 F338 I371A180-I184 WeakPolarHBondContact O-CG1 3.42Å; A180-I184 PolarHBondContact O-N 3.42Å; I182-I184 PolarHBondContact O-N 3.33Å; I184-F186 PolarHBondContact O-N 3.24Å; I184-G187 PolarHBondContact O-N 3.49Å; I184-L334 HydrophobicContact CD1-CD2 3.71Å; I184-L334 HydrophobicContact CG1-CD2 3.91Å; I184-L337 HydrophobicContact CD1-CB 3.18Å; I184-L337 HydrophobicContact CD1-CD1 3.82Å; I184-L337 HydrophobicContact CD1-CG 4.09Å; I184-F338 HydrophobicContact CB-CE1 4.43Å; I184-F338 HydrophobicContact CB-CZ 4.17Å; I184-F338 HydrophobicContact CD1-CD2 4.32Å; I184-F338 HydrophobicContact CD1-CE2 3.92Å; I184-F338 HydrophobicContact CD1-CZ 4.05Å; I184-F338 HydrophobicContact CG1-CE1 4.28Å; I184-F338 HydrophobicContact CG1-CE2 3.9Å; I184-F338 HydrophobicContact CG1-CZ 3.61Å; I184-F338 HydrophobicContact CG2-CD1 4.12Å; I184-F338 HydrophobicContact CG2-CE1 3.54Å; I184-F338 HydrophobicContact CG2-CZ 3.77Å; I184-I371 HydrophobicContact CG2-CD1 4.06Å; I184-I371 HydrophobicContact CG2-CG2 4.4Å
185T84.9Confident84.1Confident28 Ų2858.4 Ų58.417%0.17230%0.297CS..Hα-helixtrans-63.9-26.6177.3-59.10000112.3T181 I182 F183 G187 V368T181-T185 PolarHBondContact O-N 3.5Å; T181-T185 PolarHBondContact O-OG1 3.39Å; I182-T185 WeakPolarHBondContact O-CB 3.14Å; I182-T185 PolarHBondContact O-N 3.33Å; I182-T185 VanDerWaalsContact O-N 3.15Å; F183-T185 PolarHBondContact O-N 2.89Å; T185-G187 VanDerWaalsContact C-N 3.28Å; T185-G187 PolarHBondContact O-N 3.11Å; T185-V368 HydrophobicContact CG2-CG1 3.66Å; T185-V368 HydrophobicContact CG2-CG2 4.1Å
186F81.8Confident83.5Confident161 Ų16160.3 Ų60.371%0.70630%0.297SS*.THydrogen-bonded Turntrans-75.4-10178.8-66.9-64.5000114.7I182 F183 I184I182-F186 HydrophobicContact CG2-CD2 4.49Å; I182-F186 HydrophobicContact CG2-CE2 3.65Å; I182-F186 HydrophobicContact CG2-CZ 4.24Å; I182-F186 VanDerWaalsContact O-CD2 3.28Å; I182-F186 WeakPolarHBondContact O-CD2 3.31Å; F183-F186 PolarHBondContact O-N 2.95Å; I184-F186 PolarHBondContact O-N 3.24Å
187G73.4Confident83.2Confident12 Ų1261.6 Ų61.612%0.12430%0.304CS..  trans131.6155.2166.200000115.6I184 T185 R189I184-G187 PolarHBondContact O-N 3.49Å; T185-G187 VanDerWaalsContact C-N 3.28Å; T185-G187 PolarHBondContact O-N 3.11Å; G187-R189 PolarHBondContact O-N 3.02Å
188V68.6Low83Confident46 Ų4663.9 Ų63.928%0.27931%0.314SS..Hα-helixtrans-71.6-32.9-168.6-173.20000113.5S191 S192 F338 V366V188-S191 PolarHBondContact O-N 3.05Å; V188-S192 WeakPolarHBondContact O-CB 3.5Å; V188-S192 PolarHBondContact O-N 3.26Å; V188-F338 HydrophobicContact CG1-CE1 4.38Å; V188-F338 HydrophobicContact CG2-CE1 4.39Å; V188-V366 HydrophobicContact CG2-CG1 4.21Å; V188-V366 HydrophobicContact CG2-CG2 3.67Å
189R72.4Confident82.6Confident231 Ų23161.5 Ų61.587%0.87230%0.3SS*.Hα-helixtrans-64.6-47.8-173.4-72.8-174.7-174.6170.52.6113.1G187 S191 W193G187-R189 PolarHBondContact O-N 3.02Å; R189-S191 VanDerWaalsContact C-N 3.32Å; R189-W193 PolarHBondContact O-N 3.37Å
190V74Confident82.3Confident91 Ų9159.7 Ų59.755%0.55229%0.294SS*.Hα-helixtrans-65.8-42.4-178.4-177.30000109.7F183 W193 L194F183-V190 HydrophobicContact CZ-CG1 4.01Å; V190-W193 PolarHBondContact O-N 3.2Å; V190-L194 PolarHBondContact O-N 3.48Å; V190-L194 VanDerWaalsContact O-N 3.13Å
191S76.1Confident82.2Confident0 Ų062 Ų620%031%0.307CS..Hα-helixtrans-72.3-34.7-177-161.90000113.9V188 R189 L194 N195 F338V188-S191 PolarHBondContact O-N 3.05Å; R189-S191 VanDerWaalsContact C-N 3.32Å; S191-L194 PolarHBondContact O-N 3.31Å; S191-N195 WeakPolarHBondContact O-CB 3.36Å; S191-N195 PolarHBondContact O-N 3.14Å; S191-F338 WeakPolarHBondContact OG-CE2 3.26Å; S191-F338 WeakPolarHBondContact OG-CZ 3.3Å
192S74.6Confident82.1Confident49 Ų4961.9 Ų61.934%0.34331%0.307SS..Hα-helixtrans-63.2-42.7174.3168.10000111.2V188 N195 H196V188-S192 WeakPolarHBondContact O-CB 3.5Å; V188-S192 PolarHBondContact O-N 3.26Å; S192-N195 WeakPolarHBondContact O-CB 3.15Å; S192-N195 PolarHBondContact O-N 3.06Å; S192-H196 PolarHBondContact O-CD2 3.14Å; S192-H196 PolarHBondContact O-N 2.99Å; S192-H196 VanDerWaalsContact O-N 3.12Å
193W80.9Confident82.1Confident167 Ų16761 Ų6163%0.63330%0.303SS*.Hα-helixtrans-63.8-43.7176.9-179.683.3000112.6R189 V190 N195 H196 I197R189-W193 PolarHBondContact O-N 3.37Å; V190-W193 PolarHBondContact O-N 3.2Å; W193-N195 VanDerWaalsContact C-N 3.32Å; W193-N195 PolarHBondContact O-N 3.37Å; W193-H196 PolarHBondContact O-N 3.46Å; W193-I197 HydrophobicContact CD2-CD1 3.69Å; W193-I197 VanDerWaalsContact CE2-CD1 3.42Å; W193-I197 HydrophobicContact CE3-CD1 3.67Å; W193-I197 HydrophobicContact CH2-CD1 3.2Å; W193-I197 HydrophobicContact CZ2-CD1 3.22Å; W193-I197 HydrophobicContact CZ3-CD1 3.43Å; W193-I197 VanDerWaalsContact CZ3-CD1 3.43Å; W193-I197 PolarHBondContact O-N 3.35Å
194L82Confident82.3Confident42 Ų4262.5 Ų62.522%0.2232%0.317CS..Hα-helixtrans-60.7-41.6173.9-84.6172.1000112.4F183 V190 S191 H196 I197 F198F183-L194 HydrophobicContact CE1-CD1 3.7Å; F183-L194 HydrophobicContact CE2-CD1 4.17Å; F183-L194 HydrophobicContact CZ-CD1 3.28Å; V190-L194 PolarHBondContact O-N 3.48Å; V190-L194 VanDerWaalsContact O-N 3.13Å; S191-L194 PolarHBondContact O-N 3.31Å; L194-H196 VanDerWaalsContact C-N 3.27Å; L194-H196 PolarHBondContact O-N 2.99Å; L194-I197 PolarHBondContact O-N 2.94Å; L194-I197 VanDerWaalsContact O-N 3.16Å; L194-F198 HydrophobicContact CB-CE2 4.44Å; L194-F198 HydrophobicContact CD2-CZ 4.21Å; L194-F198 WeakPolarHBondContact O-CG 3.31Å; L194-F198 PolarHBondContact O-N 2.8Å
195N80.6Confident82.7Confident13 Ų1363 Ų637%0.0732%0.32CS..Hα-helixtrans-59.9-40.2178.7-161.956.2000111.7S191 S192 W193 S199 T331S191-N195 WeakPolarHBondContact O-CB 3.36Å; S191-N195 PolarHBondContact O-N 3.14Å; S192-N195 WeakPolarHBondContact O-CB 3.15Å; S192-N195 PolarHBondContact O-N 3.06Å; W193-N195 VanDerWaalsContact C-N 3.32Å; W193-N195 PolarHBondContact O-N 3.37Å; N195-S199 VanDerWaalsContact O-CB 3.29Å; N195-S199 WeakPolarHBondContact O-CB 3.32Å; N195-S199 PolarHBondContact O-N 3.38Å; N195-T331 VanDerWaalsContact OD1-CA 3.32Å; N195-T331 WeakPolarHBondContact OD1-CA 3.47Å; N195-T331 WeakPolarHBondContact OD1-CG2 3.41Å; N195-T331 PolarHBondContact OD1-O 2.79Å; N195-T331 VanDerWaalsContact OD1-O 3.14Å
196H81Confident83.1Confident75 Ų7562.4 Ų62.435%0.34732%0.316SS..Hα-helixtrans-64.9-40.5176.9-72.8-149.3000111.8S192 W193 L194 A200S192-H196 PolarHBondContact O-CD2 3.14Å; S192-H196 PolarHBondContact O-N 2.99Å; S192-H196 VanDerWaalsContact O-N 3.12Å; W193-H196 PolarHBondContact O-N 3.46Å; L194-H196 VanDerWaalsContact C-N 3.27Å; L194-H196 PolarHBondContact O-N 2.99Å; H196-A200 WeakPolarHBondContact O-CB 3.41Å; H196-A200 PolarHBondContact O-N 3.21Å
197I87.3Confident83.7Confident61 Ų6159.8 Ų59.831%0.31331%0.309SS..Hα-helixtrans-66.1-49178-69.9173.2000111W193 L194 S199 A200 V201W193-I197 HydrophobicContact CD2-CD1 3.69Å; W193-I197 VanDerWaalsContact CE2-CD1 3.42Å; W193-I197 HydrophobicContact CE3-CD1 3.67Å; W193-I197 HydrophobicContact CH2-CD1 3.2Å; W193-I197 HydrophobicContact CZ2-CD1 3.22Å; W193-I197 HydrophobicContact CZ3-CD1 3.43Å; W193-I197 VanDerWaalsContact CZ3-CD1 3.43Å; W193-I197 PolarHBondContact O-N 3.35Å; L194-I197 PolarHBondContact O-N 2.94Å; L194-I197 VanDerWaalsContact O-N 3.16Å; I197-S199 VanDerWaalsContact C-N 3.31Å; I197-S199 PolarHBondContact O-N 2.99Å; I197-A200 PolarHBondContact O-N 3.26Å; I197-V201 HydrophobicContact CG2-CG2 4.41Å; I197-V201 WeakPolarHBondContact O-CG2 3.38Å; I197-V201 PolarHBondContact O-N 3.18Å
198F89.3Confident84.8Confident48 Ų4861.5 Ų61.521%0.21131%0.313CS..Hα-helixtrans-62.4-39.8179.8-68.1-29.5000112.3L194 V201 S202 C327 N330 T331 L334L194-F198 HydrophobicContact CB-CE2 4.44Å; L194-F198 HydrophobicContact CD2-CZ 4.21Å; L194-F198 WeakPolarHBondContact O-CG 3.31Å; L194-F198 PolarHBondContact O-N 2.8Å; F198-V201 PolarHBondContact O-N 3.34Å; F198-S202 WeakPolarHBondContact O-CB 3.4Å; F198-S202 PolarHBondContact O-N 2.9Å; F198-C327 HydrophobicContact CB-CB 4.31Å; F198-C327 HydrophobicContact CD1-CB 4.33Å; F198-N330 HydrophobicContact CD2-CB 4.12Å; F198-N330 HydrophobicContact CE2-CB 4.25Å; F198-T331 WeakPolarHBondContact CB-OG1 3.27Å; F198-L334 HydrophobicContact CD2-CD1 4.49Å; F198-L334 HydrophobicContact CE2-CD1 4.48Å
199S85.1Confident86Confident8 Ų859.3 Ų59.36%0.05630%0.3CS..Hα-helixtrans-62.5-44.2174.1-175.50000112.1N195 I197 S202 L203 T331N195-S199 VanDerWaalsContact O-CB 3.29Å; N195-S199 WeakPolarHBondContact O-CB 3.32Å; N195-S199 PolarHBondContact O-N 3.38Å; I197-S199 VanDerWaalsContact C-N 3.31Å; I197-S199 PolarHBondContact O-N 2.99Å; S199-S202 WeakPolarHBondContact O-CB 3.35Å; S199-S202 PolarHBondContact O-N 2.85Å; S199-L203 PolarHBondContact O-N 3.28Å; S199-T331 PolarHBondContact N-OG1 3.34Å
200A87.4Confident87.1Confident53 Ų5349.8 Ų49.844%0.43827%0.266SS..Hα-helixtrans-63.2-44.3177.800000112.2H196 I197 L203 V204H196-A200 WeakPolarHBondContact O-CB 3.41Å; H196-A200 PolarHBondContact O-N 3.21Å; I197-A200 PolarHBondContact O-N 3.26Å; A200-L203 PolarHBondContact O-N 3.43Å; A200-V204 WeakPolarHBondContact O-CG2 3.34Å; A200-V204 PolarHBondContact O-N 3.31Å; A200-V204 VanDerWaalsContact O-N 3.12Å
201V90.8Very high88.1Confident57 Ų5749.9 Ų49.935%0.34527%0.266SS..Hα-helixtrans-60.9-46.2175.7171.60000110.7I197 F198 L203 V204 V205 C327I197-V201 HydrophobicContact CG2-CG2 4.41Å; I197-V201 WeakPolarHBondContact O-CG2 3.38Å; I197-V201 PolarHBondContact O-N 3.18Å; F198-V201 PolarHBondContact O-N 3.34Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3.39Å; V201-V204 PolarHBondContact O-N 3.32Å; V201-V205 HydrophobicContact CG1-CG2 4.46Å; V201-V205 WeakPolarHBondContact O-CG2 3.39Å; V201-V205 PolarHBondContact O-N 3.47Å; V201-C327 HydrophobicContact CG1-CB 4.3Å
202S89.3Confident89Confident5 Ų551.8 Ų51.84%0.03528%0.275CS..Hα-helixtrans-56.2-47.2177171.70000111.9F198 S199 V204 V205 I206 A328F198-S202 WeakPolarHBondContact O-CB 3.4Å; F198-S202 PolarHBondContact O-N 2.9Å; S199-S202 WeakPolarHBondContact O-CB 3.35Å; S199-S202 PolarHBondContact O-N 2.85Å; S202-V204 VanDerWaalsContact C-N 3.34Å; S202-V204 PolarHBondContact O-N 2.67Å; S202-V205 PolarHBondContact O-N 3.28Å; S202-V205 VanDerWaalsContact O-N 3.15Å; S202-I206 WeakPolarHBondContact O-CG1 3.4Å; S202-I206 PolarHBondContact O-N 3.5Å; S202-A328 VanDerWaalsContact OG-CB 3.26Å; S202-A328 WeakPolarHBondContact OG-CB 3.48Å
203L89.4Confident89.9Confident66 Ų6649.4 Ų49.435%0.34626%0.258SS..Hα-helixtrans-63.1-39.4-180-166.9148.2000112.3L44 S199 A200 V201 I206 L207 M278L44-L203 HydrophobicContact CD2-CD1 4.5Å; S199-L203 PolarHBondContact O-N 3.28Å; A200-L203 PolarHBondContact O-N 3.43Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3.39Å; L203-I206 PolarHBondContact O-N 3.24Å; L203-L207 PolarHBondContact O-N 2.93Å; L203-L207 VanDerWaalsContact O-N 3.12Å; L203-M278 HydrophobicContact CD1-CE 4.08Å
204V93.4Very high90.5Very high100 Ų10046.1 Ų46.161%0.60625%0.248SC*.Hα-helixtrans-63.7-42.6174.3172.30000111.2A200 V201 S202 I206 L207 F208A200-V204 WeakPolarHBondContact O-CG2 3.34Å; A200-V204 PolarHBondContact O-N 3.31Å; A200-V204 VanDerWaalsContact O-N 3.12Å; V201-V204 PolarHBondContact O-N 3.32Å; S202-V204 VanDerWaalsContact C-N 3.34Å; S202-V204 PolarHBondContact O-N 2.67Å; V204-I206 VanDerWaalsContact C-N 3.34Å; V204-I206 PolarHBondContact O-N 3.15Å; V204-L207 PolarHBondContact O-N 3.17Å; V204-F208 PolarHBondContact O-N 3.05Å
205V94.6Very high91.1Very high10 Ų1049.4 Ų49.46%0.06127%0.27CS..Hα-helixtrans-66.7-36.2178.3175.60000111.5V201 S202 L207 F208 I209 I320V201-V205 HydrophobicContact CG1-CG2 4.46Å; V201-V205 WeakPolarHBondContact O-CG2 3.39Å; V201-V205 PolarHBondContact O-N 3.47Å; S202-V205 PolarHBondContact O-N 3.28Å; S202-V205 VanDerWaalsContact O-N 3.15Å; V205-L207 VanDerWaalsContact C-N 3.35Å; V205-L207 PolarHBondContact O-N 3.43Å; V205-F208 WeakPolarHBondContact O-CB 3.22Å; V205-F208 PolarHBondContact O-N 3.36Å; V205-I209 HydrophobicContact CG1-CD1 4.09Å; V205-I209 HydrophobicContact CG1-CG1 4.39Å; V205-I209 VanDerWaalsContact O-CG1 3.3Å; V205-I209 WeakPolarHBondContact O-CG1 3.38Å; V205-I209 PolarHBondContact O-N 3.44Å; V205-I320 HydrophobicContact CG1-CG2 4.49Å; V205-I320 HydrophobicContact CG2-CG2 4.28Å
206I93.9Very high91.6Very high15 Ų1549.2 Ų49.28%0.07727%0.269CS..Hα-helixtrans-61.7-45.2173.6-70.9166000110.8V51 L55 S202 L203 V204 F208 I209 L210 A282 V286V51-I206 HydrophobicContact CG1-CD1 3.3Å; L55-I206 HydrophobicContact CD1-CD1 4.14Å; L55-I206 HydrophobicContact CD2-CG1 4.42Å; S202-I206 WeakPolarHBondContact O-CG1 3.4Å; S202-I206 PolarHBondContact O-N 3.5Å; L203-I206 PolarHBondContact O-N 3.24Å; V204-I206 VanDerWaalsContact C-N 3.34Å; V204-I206 PolarHBondContact O-N 3.15Å; I206-F208 VanDerWaalsContact C-N 3.27Å; I206-F208 PolarHBondContact O-N 3.07Å; I206-I209 PolarHBondContact O-N 3.47Å; I206-L210 HydrophobicContact CG2-CD1 4.38Å; I206-L210 WeakPolarHBondContact O-CG 3.35Å; I206-L210 PolarHBondContact O-N 3.49Å; I206-A282 HydrophobicContact CG2-CB 4.3Å; I206-V286 HydrophobicContact CG2-CG2 4.28Å
207L94.4Very high92.1Very high107 Ų10746.8 Ų46.856%0.5626%0.262SS*.Hα-helixtrans-60.9-39.2176.1-171.7141000111.5L203 V204 V205 L210 V211L203-L207 PolarHBondContact O-N 2.93Å; L203-L207 VanDerWaalsContact O-N 3.12Å; V204-L207 PolarHBondContact O-N 3.17Å; V205-L207 VanDerWaalsContact C-N 3.35Å; V205-L207 PolarHBondContact O-N 3.43Å; L207-L210 PolarHBondContact O-N 2.98Å; L207-V211 HydrophobicContact CD2-CG2 4.18Å; L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 3.28Å
208F95.6Very high92.1Very high47 Ų4746.8 Ų46.821%0.20626%0.262CS..Hα-helixtrans-60.7-47.1172.6170.4-97.5000112.6V204 V205 I206 L210 V211 F212 W316 A317 I320 V321V204-F208 PolarHBondContact O-N 3.05Å; V205-F208 WeakPolarHBondContact O-CB 3.22Å; V205-F208 PolarHBondContact O-N 3.36Å; I206-F208 VanDerWaalsContact C-N 3.27Å; I206-F208 PolarHBondContact O-N 3.07Å; F208-L210 VanDerWaalsContact C-N 3.28Å; F208-L210 PolarHBondContact O-N 3.18Å; F208-V211 PolarHBondContact O-N 3.14Å; F208-F212 HydrophobicContact CE2-CB 4.22Å; F208-F212 HydrophobicContact CE2-CG 4.44Å; F208-F212 HydrophobicContact CZ-CB 4.33Å; F208-F212 HydrophobicContact CZ-CD1 4.05Å; F208-F212 HydrophobicContact CZ-CG 4.37Å; F208-F212 WeakPolarHBondContact O-CB 3.47Å; F208-F212 PolarHBondContact O-N 2.98Å; F208-W316 HydrophobicContact CE2-CH2 4.07Å; F208-W316 HydrophobicContact CE2-CZ3 4.03Å; F208-W316 AromaticContact CZ-CH2 3.96Å; F208-W316 HydrophobicContact CZ-CH2 3.96Å; F208-W316 AromaticContact CZ-CZ3 3.78Å; F208-W316 HydrophobicContact CZ-CZ3 3.78Å; F208-A317 HydrophobicContact CE1-CB 4.14Å; F208-A317 HydrophobicContact CZ-CB 3.89Å; F208-I320 HydrophobicContact CD1-CG2 3.97Å; F208-I320 HydrophobicContact CE1-CB 4.25Å; F208-I320 HydrophobicContact CE1-CG2 4.05Å; F208-I320 HydrophobicContact CZ-CD1 4.21Å; F208-V321 HydrophobicContact CD1-CG2 4.4Å; F208-V321 HydrophobicContact CE1-CG2 4.25Å
209I94.9Very high92.1Very high1 Ų149.3 Ų49.31%0.00528%0.284CS..Hα-helixtrans-57.6-43.8176.7-68.3163.5000110.4Y56 V205 I206 G213 V286 L305 F309 V321Y56-I209 HydrophobicContact CE1-CD1 3.94Å; V205-I209 HydrophobicContact CG1-CD1 4.09Å; V205-I209 HydrophobicContact CG1-CG1 4.39Å; V205-I209 VanDerWaalsContact O-CG1 3.3Å; V205-I209 WeakPolarHBondContact O-CG1 3.38Å; V205-I209 PolarHBondContact O-N 3.44Å; I206-I209 PolarHBondContact O-N 3.47Å; I209-G213 WeakPolarHBondContact O-CA 3.42Å; I209-G213 PolarHBondContact O-N 3.42Å; I209-V286 HydrophobicContact CG2-CG2 4.48Å; I209-L305 HydrophobicContact CG2-CD2 4.36Å; I209-F309 HydrophobicContact CG1-CE2 4.45Å; I209-F309 HydrophobicContact CG2-CE2 4.44Å; I209-V321 HydrophobicContact CD1-CB 4.49Å; I209-V321 HydrophobicContact CD1-CG1 3.89Å; I209-V321 HydrophobicContact CD1-CG2 4.05Å; I209-V321 HydrophobicContact CG1-CG1 4.31Å; I209-V321 HydrophobicContact CG1-CG2 3.58Å
210L95.1Very high92.2Very high30 Ų3053.2 Ų53.216%0.15731%0.307CS..Hα-helixtrans-64.3-54.3179.7-67.7-177.9000111.4I206 L207 F208 F214 L285 V286 V289I206-L210 HydrophobicContact CG2-CD1 4.38Å; I206-L210 WeakPolarHBondContact O-CG 3.35Å; I206-L210 PolarHBondContact O-N 3.49Å; L207-L210 PolarHBondContact O-N 2.98Å; F208-L210 VanDerWaalsContact C-N 3.28Å; F208-L210 PolarHBondContact O-N 3.18Å; L210-F214 HydrophobicContact CD2-CE2 4.49Å; L210-F214 WeakPolarHBondContact O-CB 3.34Å; L210-F214 WeakPolarHBondContact O-CD2 3.41Å; L210-F214 PolarHBondContact O-N 3.36Å; L210-L285 HydrophobicContact CD1-CB 4.24Å; L210-L285 HydrophobicContact CD1-CD1 4.01Å; L210-L285 HydrophobicContact CD2-CB 3.48Å; L210-L285 VanDerWaalsContact CD2-CB 3.48Å; L210-V286 HydrophobicContact CD2-CB 4.48Å; L210-V286 HydrophobicContact CD2-CG2 3.69Å; L210-V286 HydrophobicContact CG-CG2 4.32Å; L210-V289 HydrophobicContact CD2-CG2 4.24Å
211V94.9Very high92.2Very high93 Ų9351.5 Ų51.556%0.56429%0.29SS*.Hα-helixtrans-62.6-52.5-176.4174.20000110.9L207 F208 V215L207-V211 HydrophobicContact CD2-CG2 4.18Å; L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 3.28Å; F208-V211 PolarHBondContact O-N 3.14Å; V211-V215 WeakPolarHBondContact O-CG2 3.36Å; V211-V215 PolarHBondContact O-N 3.27Å
212F94.8Very high92.1Very high40 Ų4052.3 Ų52.318%0.17529%0.287CS..Hα-helixtrans-74.6-36.4-175.6-165.7-124.9000111.8F208 V215 L216 F309 Y314 W316 A317F208-F212 HydrophobicContact CE2-CB 4.22Å; F208-F212 HydrophobicContact CE2-CG 4.44Å; F208-F212 HydrophobicContact CZ-CB 4.33Å; F208-F212 HydrophobicContact CZ-CD1 4.05Å; F208-F212 HydrophobicContact CZ-CG 4.37Å; F208-F212 WeakPolarHBondContact O-CB 3.47Å; F208-F212 PolarHBondContact O-N 2.98Å; F212-V215 WeakPolarHBondContact O-CB 3.32Å; F212-V215 PolarHBondContact O-N 3.19Å; F212-L216 HydrophobicContact CD1-CD1 4.36Å; F212-L216 HydrophobicContact CD2-CD1 4.17Å; F212-L216 HydrophobicContact CE1-CD1 4.01Å; F212-L216 HydrophobicContact CE1-CD2 4.21Å; F212-L216 HydrophobicContact CE2-CD1 3.82Å; F212-L216 HydrophobicContact CG-CD1 4.42Å; F212-L216 HydrophobicContact CZ-CD1 3.72Å; F212-L216 WeakPolarHBondContact O-CD1 3.25Å; F212-L216 PolarHBondContact O-N 3.04Å; F212-F309 AromaticContact CD1-CD1 3.9Å; F212-F309 HydrophobicContact CD1-CD1 3.9Å; F212-F309 AromaticContact CD1-CE1 3.46Å; F212-F309 HydrophobicContact CD1-CE1 3.46Å; F212-F309 VanDerWaalsContact CD1-CE1 3.46Å; F212-F309 HydrophobicContact CD1-CZ 4.46Å; F212-F309 HydrophobicContact CE1-CD1 4.07Å; F212-F309 HydrophobicContact CE1-CE1 4.07Å; F212-F309 HydrophobicContact CG-CE1 4.39Å; F212-Y314 HydrophobicContact CE1-CD1 4.19Å; F212-Y314 HydrophobicContact CE1-CG 4.06Å; F212-Y314 AromaticContact CZ-CD1 3.79Å; F212-Y314 HydrophobicContact CZ-CD1 3.79Å; F212-Y314 HydrophobicContact CZ-CD2 4.49Å; F212-Y314 AromaticContact CZ-CE1 3.95Å; F212-Y314 HydrophobicContact CZ-CE1 3.95Å; F212-Y314 HydrophobicContact CZ-CG 4.07Å; F212-W316 HydrophobicContact CE1-CZ2 4.22Å; F212-W316 HydrophobicContact CZ-CZ2 4.07Å; F212-A317 HydrophobicContact CD1-CB 4.09Å; F212-A317 HydrophobicContact CE1-CB 3.86Å
213G93.1Very high91.8Very high0 Ų054.4 Ų54.40%030%0.302CS..Hα-helixtrans-67.2-35.7177.800000113.6I209 V215 L216 A217 V289 M293I209-G213 WeakPolarHBondContact O-CA 3.42Å; I209-G213 PolarHBondContact O-N 3.42Å; G213-V215 VanDerWaalsContact C-N 3.29Å; G213-V215 PolarHBondContact O-N 3.23Å; G213-L216 CarbonylContact O-C 3.52Å; G213-L216 PolarHBondContact O-N 3.12Å; G213-L216 VanDerWaalsContact O-N 3.14Å; G213-A217 PolarHBondContact O-N 2.84Å; G213-A217 VanDerWaalsContact O-N 3.08Å; G213-V289 VanDerWaalsContact CA-CG1 3.48Å; G213-M293 VanDerWaalsContact CA-SD 3.51Å
214F94.3Very high91.3Very high97 Ų9759.7 Ų59.743%0.42533%0.325SS..Hα-helixtrans-65.6-30.8171.9-85.2-59.3000113L210 L216 A217 L285 T288 V289L210-F214 HydrophobicContact CD2-CE2 4.49Å; L210-F214 WeakPolarHBondContact O-CB 3.34Å; L210-F214 WeakPolarHBondContact O-CD2 3.41Å; L210-F214 PolarHBondContact O-N 3.36Å; F214-L216 VanDerWaalsContact C-N 3.26Å; F214-L216 PolarHBondContact O-N 3.01Å; F214-A217 WeakPolarHBondContact O-CB 3.41Å; F214-A217 PolarHBondContact O-N 3.31Å; F214-L285 HydrophobicContact CE2-CD2 4.42Å; F214-L285 HydrophobicContact CZ-CD2 4.18Å; F214-T288 HydrophobicContact CE1-CG2 4.45Å; F214-V289 HydrophobicContact CD1-CG2 3.87Å; F214-V289 HydrophobicContact CD2-CG2 3.73Å; F214-V289 HydrophobicContact CE1-CG2 3.77Å; F214-V289 HydrophobicContact CE2-CG2 3.6Å; F214-V289 HydrophobicContact CG-CG2 3.84Å; F214-V289 HydrophobicContact CZ-CG2 3.62Å
215V93.5Very high90.5Very high112 Ų11263.6 Ų63.668%0.67933%0.334SS*.Hα-helixtrans-67.5-30.9173.6174.90000111.3V211 F212 G213V211-V215 WeakPolarHBondContact O-CG2 3.36Å; V211-V215 PolarHBondContact O-N 3.27Å; F212-V215 WeakPolarHBondContact O-CB 3.32Å; F212-V215 PolarHBondContact O-N 3.19Å; G213-V215 VanDerWaalsContact C-N 3.29Å; G213-V215 PolarHBondContact O-N 3.23Å
216L91.3Very high89.7Confident9 Ų966.1 Ų66.15%0.04735%0.345CS..THydrogen-bonded Turntrans-92.1-2.2-179.5-88.366.6000113.9F212 G213 F214 M293 F309 R312 Y314F212-L216 HydrophobicContact CD1-CD1 4.36Å; F212-L216 HydrophobicContact CD2-CD1 4.17Å; F212-L216 HydrophobicContact CE1-CD1 4.01Å; F212-L216 HydrophobicContact CE1-CD2 4.21Å; F212-L216 HydrophobicContact CE2-CD1 3.82Å; F212-L216 HydrophobicContact CG-CD1 4.42Å; F212-L216 HydrophobicContact CZ-CD1 3.72Å; F212-L216 WeakPolarHBondContact O-CD1 3.25Å; F212-L216 PolarHBondContact O-N 3.04Å; G213-L216 CarbonylContact O-C 3.52Å; G213-L216 PolarHBondContact O-N 3.12Å; G213-L216 VanDerWaalsContact O-N 3.14Å; F214-L216 VanDerWaalsContact C-N 3.26Å; F214-L216 PolarHBondContact O-N 3.01Å; L216-M293 HydrophobicContact CB-CE 4.26Å; L216-M293 HydrophobicContact CB-CG 4.2Å; L216-M293 HydrophobicContact CD2-CE 3.98Å; L216-F309 HydrophobicContact CD2-CD1 4.15Å; L216-F309 HydrophobicContact CD2-CE1 4.29Å; L216-R312 HydrophobicContact CD2-CB 3.91Å; L216-R312 HydrophobicContact CD2-CG 4.33Å; L216-R312 PolarHBondContact O-NH2 3.48Å; L216-Y314 HydrophobicContact CD1-CE2 4.22Å; L216-Y314 HydrophobicContact CD2-CD2 3.53Å; L216-Y314 HydrophobicContact CD2-CE2 3.68Å; L216-Y314 HydrophobicContact CD2-CG 4.44Å; L216-Y314 HydrophobicContact CG-CD2 4.41Å; L216-Y314 HydrophobicContact CG-CE2 4.07Å
217A90.6Very high88.8Confident23 Ų2367.4 Ų67.419%0.1936%0.362CS..  trans-72.5126.7-172.800000112.4G213 F214 L292G213-A217 PolarHBondContact O-N 2.84Å; G213-A217 VanDerWaalsContact O-N 3.08Å; F214-A217 WeakPolarHBondContact O-CB 3.41Å; F214-A217 PolarHBondContact O-N 3.31Å; A217-L292 HydrophobicContact CB-CB 3.81Å; A217-L292 HydrophobicContact CB-CD1 4.31Å
218D89.2Confident88.3Confident61 Ų6162.9 Ų62.933%0.32634%0.341SS..  trans-112.2111.2177.4-73.3-31.2000110.5V220 N221 L292 R312D218-V220 PolarHBondContact O-N 3.39Å; D218-N221 WeakPolarHBondContact O-CB 3.25Å; D218-N221 PolarHBondContact O-N 3.2Å; D218-N221 VanDerWaalsContact O-N 3.08Å; D218-L292 PolarHBondContact N-O 3.47Å; D218-R312 IonicContact OD1-NH2 3.5Å; D218-R312 IonicContact OD2-CZ 2.75Å; D218-R312 IonicContact OD2-NH1 3.55Å; D218-R312 PolarHBondContact OD2-NH1 3.2Å; D218-R312 IonicContact OD2-NH2 3.95Å; D218-R312 PolarHBondContact OD2-NH2 2.9Å
219P87.8Confident87.9Confident102 Ų10264.1 Ų64.166%0.66235%0.346SS*.G310 helixtrans-59.9-15.9179.8-25.334.6000114.9N221 W222P219-N221 PolarHBondContact O-N 3.19Å; P219-W222 PolarHBondContact O-N 3.04Å
220V88.5Confident87.7Confident90 Ų9066.3 Ų66.355%0.54537%0.365SS..G310 helixtrans-61.4-30.2176.1-177.20000111.4D218 W222 S223D218-V220 PolarHBondContact O-N 3.39Å; V220-W222 PolarHBondContact O-N 3.4Å; V220-S223 WeakPolarHBondContact O-CB 3.48Å; V220-S223 PolarHBondContact O-N 2.88Å
221N87.1Confident87.4Confident16 Ų1667.2 Ų67.29%0.08637%0.372CS..G310 helixtrans-66.6-17.1-179.6-68.2-23.9000113.5D218 P219 L292 M293D218-N221 WeakPolarHBondContact O-CB 3.25Å; D218-N221 PolarHBondContact O-N 3.2Å; D218-N221 VanDerWaalsContact O-N 3.08Å; P219-N221 PolarHBondContact O-N 3.19Å; N221-L292 PolarHBondContact ND2-O 2.77Å; N221-M293 PolarHBondContact ND2-O 3.32Å
222W87.9Confident87Confident74 Ų7466.9 Ų66.928%0.2836%0.364SS..G310 helixtrans-97.3-2.3172-74.913.5000113.4P69 V72 P219 V220 F229 T288 T291 L292P69-W222 HydrophobicContact CB-CG 4.3Å; V72-W222 HydrophobicContact CG2-CZ2 4.48Å; P219-W222 PolarHBondContact O-N 3.04Å; V220-W222 PolarHBondContact O-N 3.4Å; W222-F229 HydrophobicContact CD2-CD2 4.1Å; W222-F229 HydrophobicContact CD2-CE2 4.39Å; W222-F229 AromaticContact CE3-CD2 3.95Å; W222-F229 HydrophobicContact CE3-CD2 3.95Å; W222-F229 HydrophobicContact CE3-CE2 4.12Å; W222-F229 AromaticContact CH2-CE2 3.89Å; W222-F229 HydrophobicContact CH2-CE2 3.89Å; W222-F229 HydrophobicContact CZ2-CE2 4.17Å; W222-F229 HydrophobicContact CZ3-CD2 4.17Å; W222-F229 AromaticContact CZ3-CE2 3.86Å; W222-F229 HydrophobicContact CZ3-CE2 3.86Å; W222-T288 HydrophobicContact CH2-CG2 3.91Å; W222-T288 HydrophobicContact CZ2-CG2 3.95Å; W222-T291 PolarHBondContact NE1-OG1 3.35Å; W222-T291 VanDerWaalsContact NE1-OG1 3.12Å; W222-L292 HydrophobicContact CD2-CD2 3.71Å; W222-L292 HydrophobicContact CD2-CG 4.28Å; W222-L292 HydrophobicContact CE3-CD2 4.36Å; W222-L292 HydrophobicContact CG-CD2 3.74Å; W222-L292 HydrophobicContact CZ2-CD1 4.39Å; W222-L292 HydrophobicContact CZ2-CD2 4.39Å; W222-L292 HydrophobicContact CZ2-CG 4.07Å
223S84.4Confident86.7Confident49 Ų4966.4 Ų66.434%0.34337%0.37SS..SBendtrans-68.6160.1179.9-167.80000111.8V220 K225 E226 G228V220-S223 WeakPolarHBondContact O-CB 3.48Å; V220-S223 PolarHBondContact O-N 2.88Å; S223-K225 PolarHBondContact O-N 3.15Å; S223-K225 VanDerWaalsContact O-N 3.08Å; S223-E226 PolarHBondContact O-N 3.18Å; S223-E226 VanDerWaalsContact O-N 3.08Å; S223-G228 WeakPolarHBondContact O-CA 3.43Å; S223-G228 PolarHBondContact O-N 3.5Å; S223-G228 VanDerWaalsContact O-N 3.12Å
224Q78.5Confident86.5Confident177 Ų17772 Ų7283%0.82740%0.404SS*.G310 helixtrans-57.1-24.6173.8-73.2-174.2-12.100113E226 G227Q224-E226 PolarHBondContact O-N 2.94Å; Q224-G227 PolarHBondContact O-N 3.42Å
225K76.5Confident86.1Confident183 Ų18371.6 Ų71.680%0.79641%0.414SS*.G310 helixtrans-59.9-30.8176.9-66.3-174.9177.8-1780113.2S223S223-K225 PolarHBondContact O-N 3.15Å; S223-K225 VanDerWaalsContact O-N 3.08Å
226E77.9Confident85.7Confident63 Ų6366.7 Ų66.729%0.29439%0.385SS..G310 helixtrans-105.821.1-178.1-67.1-64.316000112.1S223 Q224 W296 H297S223-E226 PolarHBondContact O-N 3.18Å; S223-E226 VanDerWaalsContact O-N 3.08Å; Q224-E226 PolarHBondContact O-N 2.94Å; E226-W296 PolarHBondContact O-NE1 2.98Å; E226-H297 PolarHBondContact O-CE1 2.69Å; E226-H297 PolarHBondContact O-NE2 2.82Å; E226-H297 IonicContact OE2-CD2 3.61Å; E226-H297 IonicContact OE2-NE2 2.94Å
227G73.8Confident85.7Confident42 Ų4266.9 Ų66.943%0.43339%0.387SS..THydrogen-bonded Turntrans93.71.9-179.700000115.1Q224Q224-G227 PolarHBondContact O-N 3.42Å
228G84.8Confident85.5Confident12 Ų1267.7 Ų67.712%0.12439%0.387CS..  trans71.6-175.3175.400000114.4S223S223-G228 WeakPolarHBondContact O-CA 3.43Å; S223-G228 PolarHBondContact O-N 3.5Å; S223-G228 VanDerWaalsContact O-N 3.12Å
229F87.6Confident85.3Confident72 Ų7267 Ų6732%0.31639%0.389SS..SBendtrans-70.8-37-173.3-176.5-103.3000113.8P69 A70 L73 W222P69-F229 CarbonylContact C-O 3.51Å; P69-F229 HydrophobicContact CB-CD2 3.92Å; P69-F229 HydrophobicContact CB-CE2 4.32Å; P69-F229 WeakPolarHBondContact CB-O 3.3Å; P69-F229 WeakPolarHBondContact CD-O 3.19Å; A70-F229 HydrophobicContact CB-CD1 4.13Å; A70-F229 HydrophobicContact CB-CE1 3.89Å; A70-F229 HydrophobicContact CB-CZ 4.42Å; A70-F229 WeakPolarHBondContact CB-O 3.31Å; A70-F229 PolarHBondContact N-O 2.88Å; L73-F229 HydrophobicContact CD1-CE1 3.77Å; L73-F229 HydrophobicContact CD1-CZ 4.45Å; L73-F229 HydrophobicContact CG-CE1 4.06Å; L73-F229 HydrophobicContact CG-CZ 4.26Å; W222-F229 HydrophobicContact CD2-CD2 4.1Å; W222-F229 HydrophobicContact CD2-CE2 4.39Å; W222-F229 AromaticContact CE3-CD2 3.95Å; W222-F229 HydrophobicContact CE3-CD2 3.95Å; W222-F229 HydrophobicContact CE3-CE2 4.12Å; W222-F229 AromaticContact CH2-CE2 3.89Å; W222-F229 HydrophobicContact CH2-CE2 3.89Å; W222-F229 HydrophobicContact CZ2-CE2 4.17Å; W222-F229 HydrophobicContact CZ3-CD2 4.17Å; W222-F229 AromaticContact CZ3-CE2 3.86Å; W222-F229 HydrophobicContact CZ3-CE2 3.86Å
230A90.3Very high85.3Confident48 Ų4862.1 Ų62.140%0.39736%0.358SS..  trans-130.272.1-174.300000111.8A70 F232 G233A70-A230 HydrophobicContact CB-CB 3.9Å; A230-F232 VanDerWaalsContact C-N 3.3Å; A230-F232 PolarHBondContact O-N 2.93Å; A230-G233 PolarHBondContact O-N 3.15Å; A230-G233 VanDerWaalsContact O-N 3.12Å
231P87.8Confident85.3Confident48 Ų4857.9 Ų57.931%0.31233%0.332SS..THydrogen-bonded Turntrans-62.7-34.7-174.923.9-33.6000113.1G233 W296P231-G233 VanDerWaalsContact C-N 3.34Å; P231-W296 HydrophobicContact CB-CH2 3.9Å; P231-W296 HydrophobicContact CB-CZ2 3.46Å; P231-W296 VanDerWaalsContact CB-CZ2 3.46Å; P231-W296 HydrophobicContact CG-CD2 4.39Å; P231-W296 HydrophobicContact CG-CH2 3.89Å; P231-W296 HydrophobicContact CG-CZ2 3.45Å; P231-W296 VanDerWaalsContact CG-CZ2 3.45Å; P231-W296 HydrophobicContact CG-CZ3 4.5Å
232F87.4Confident85.2Confident86 Ų8657.2 Ų57.238%0.37733%0.329SS..THydrogen-bonded Turntrans-926.8179.3-57.8-80.4000113.6T66 A230 G236 W296T66-F232 WeakPolarHBondContact O-CB 3.12Å; T66-F232 WeakPolarHBondContact O-CD2 3.37Å; T66-F232 WeakPolarHBondContact O-CG 3.46Å; A230-F232 VanDerWaalsContact C-N 3.3Å; A230-F232 PolarHBondContact O-N 2.93Å; F232-G236 PolarHBondContact O-N 3.44Å; F232-G236 VanDerWaalsContact O-N 3.16Å; F232-W296 HydrophobicContact CE2-CE3 4.33Å; F232-W296 HydrophobicContact CE2-CH2 4.03Å; F232-W296 AromaticContact CE2-CZ3 3.69Å; F232-W296 HydrophobicContact CE2-CZ3 3.69Å; F232-W296 HydrophobicContact CZ-CH2 4.09Å; F232-W296 AromaticContact CZ-CZ3 3.78Å; F232-W296 HydrophobicContact CZ-CZ3 3.78Å
233G89.3Confident85.1Confident31 Ų3155.6 Ų55.632%0.3233%0.328SS..Hα-helixtrans60.1-164.1-178.200000114.4A230 P231 S235 G236 V237A230-G233 PolarHBondContact O-N 3.15Å; A230-G233 VanDerWaalsContact O-N 3.12Å; P231-G233 VanDerWaalsContact C-N 3.34Å; G233-S235 VanDerWaalsContact C-N 3.26Å; G233-S235 PolarHBondContact O-N 3.22Å; G233-G236 PolarHBondContact O-N 2.84Å; G233-V237 PolarHBondContact O-N 3.14Å
234V87.6Confident85.4Confident117 Ų11753.3 Ų53.371%0.70931%0.311SS*.Hα-helixtrans-64-32.3-178.5-179.10000111.8G236 V237 M238V234-G236 PolarHBondContact O-N 2.87Å; V234-V237 PolarHBondContact O-N 3.3Å; V234-M238 HydrophobicContact CG1-CG 4.32Å; V234-M238 WeakPolarHBondContact O-CG 3.26Å; V234-M238 PolarHBondContact O-N 3.45Å
235S85.6Confident85.8Confident89 Ų8944.9 Ų44.962%0.62227%0.272SS*.Hα-helixtrans-63-42.8177.6-171.20000111.8G233 M238 A239G233-S235 VanDerWaalsContact C-N 3.26Å; G233-S235 PolarHBondContact O-N 3.22Å; S235-M238 PolarHBondContact O-N 2.87Å; S235-A239 WeakPolarHBondContact O-CB 3.29Å; S235-A239 PolarHBondContact O-N 2.85Å
236G86.4Confident86.3Confident8 Ų836.9 Ų36.98%0.08224%0.237CC..Hα-helixtrans-64.4-41.1175.800000112.9T66 F232 G233 V234 M238 A239 G240T66-G236 CarbonylContact O-C 3.51Å; T66-G236 WeakPolarHBondContact O-CA 3.48Å; F232-G236 PolarHBondContact O-N 3.44Å; F232-G236 VanDerWaalsContact O-N 3.16Å; G233-G236 PolarHBondContact O-N 2.84Å; V234-G236 PolarHBondContact O-N 2.87Å; G236-M238 PolarHBondContact O-N 3.25Å; G236-A239 PolarHBondContact O-N 3.42Å; G236-G240 PolarHBondContact O-N 3.21Å
237V90.9Very high86.9Confident13 Ų1334 Ų348%0.07922%0.223CC..Hα-helixtrans-61.1-43.8175.3176.50000111.6A70 L73 S74 I77 G233 V234 G240 T241A70-V237 HydrophobicContact CB-CG2 3.56Å; L73-V237 HydrophobicContact CB-CG1 3.96Å; S74-V237 PolarHBondContact OG-O 2.85Å; S74-V237 VanDerWaalsContact OG-O 3.08Å; I77-V237 HydrophobicContact CD1-CG1 4.22Å; G233-V237 PolarHBondContact O-N 3.14Å; V234-V237 PolarHBondContact O-N 3.3Å; V237-G240 PolarHBondContact O-N 3.01Å; V237-T241 WeakPolarHBondContact O-CB 3.35Å; V237-T241 PolarHBondContact O-N 3.18Å; V237-T241 PolarHBondContact O-OG1 2.96Å
238M86.9Confident87.7Confident41 Ų4132 Ų3220%0.20220%0.203CC..Hα-helixtrans-70.1-36.6179-64.4-54.1-61.800112.5I77 V234 S235 G236 T241 A242 F584I77-M238 HydrophobicContact CD1-SD 4.28Å; V234-M238 HydrophobicContact CG1-CG 4.32Å; V234-M238 WeakPolarHBondContact O-CG 3.26Å; V234-M238 PolarHBondContact O-N 3.45Å; S235-M238 PolarHBondContact O-N 2.87Å; G236-M238 PolarHBondContact O-N 3.25Å; M238-T241 WeakPolarHBondContact O-CB 3.46Å; M238-T241 PolarHBondContact O-N 3.45Å; M238-A242 PolarHBondContact O-N 3.48Å; M238-F584 HydrophobicContact CE-CD1 4.11Å; M238-F584 HydrophobicContact CE-CE1 3.25Å; M238-F584 HydrophobicContact CE-CZ 3.75Å
239A84.8Confident87.9Confident45 Ų4532.4 Ų32.437%0.37220%0.203SC..Hα-helixtrans-66.8-43.1174.100000111.7S235 G236 T241 A242 T243S235-A239 WeakPolarHBondContact O-CB 3.29Å; S235-A239 PolarHBondContact O-N 2.85Å; G236-A239 PolarHBondContact O-N 3.42Å; A239-T241 VanDerWaalsContact C-N 3.3Å; A239-T241 PolarHBondContact O-N 3Å; A239-A242 PolarHBondContact O-N 3.3Å; A239-T243 PolarHBondContact O-N 3.09Å; A239-T243 PolarHBondContact O-OG1 2.92Å
240G87.4Confident87.9Confident0 Ų029.2 Ų29.20%019%0.191CC..Hα-helixtrans-59.8-39.9172.900000111.9G236 V237 A242 T243 C244G236-G240 PolarHBondContact O-N 3.21Å; V237-G240 PolarHBondContact O-N 3.01Å; G240-A242 PolarHBondContact O-N 2.92Å; G240-T243 CarbonylContact O-C 3.56Å; G240-T243 PolarHBondContact O-N 3.33Å; G240-T243 VanDerWaalsContact O-N 3.12Å; G240-C244 WeakPolarHBondContact O-CB 3.43Å; G240-C244 PolarHBondContact O-N 2.98Å; G240-C244 PolarHBondContact O-SG 3.22Å
241T89.2Confident87.8Confident1 Ų127 Ų271%0.00617%0.172CC..Hα-helixtrans-57.4-44.2177.4-59.30000112.3S74 I77 A78 V237 M238 A239 T243 C244 F245 L585S74-T241 WeakPolarHBondContact CA-OG1 3.47Å; I77-T241 HydrophobicContact CB-CG2 3.91Å; I77-T241 HydrophobicContact CG2-CG2 3.7Å; A78-T241 HydrophobicContact CB-CG2 4.03Å; V237-T241 WeakPolarHBondContact O-CB 3.35Å; V237-T241 PolarHBondContact O-N 3.18Å; V237-T241 PolarHBondContact O-OG1 2.96Å; M238-T241 WeakPolarHBondContact O-CB 3.46Å; M238-T241 PolarHBondContact O-N 3.45Å; A239-T241 VanDerWaalsContact C-N 3.3Å; A239-T241 PolarHBondContact O-N 3Å; T241-T243 VanDerWaalsContact C-N 3.27Å; T241-T243 PolarHBondContact O-N 3.4Å; T241-C244 PolarHBondContact O-N 3.44Å; T241-F245 PolarHBondContact O-N 3.24Å; T241-L585 HydrophobicContact CG2-CD2 4.01Å
242A84.4Confident87.8Confident3 Ų324.9 Ų24.93%0.02516%0.158CC..Hα-helixtrans-63.6-34.8178.600000112.4M238 A239 G240 F245 L585M238-A242 PolarHBondContact O-N 3.48Å; A239-A242 PolarHBondContact O-N 3.3Å; G240-A242 PolarHBondContact O-N 2.92Å; A242-F245 WeakPolarHBondContact O-CB 3.46Å; A242-L585 HydrophobicContact CB-CD2 3.98Å
243T85.9Confident87.6Confident40 Ų4020.9 Ų20.925%0.24514%0.141CC..Hα-helixtrans-75.7-47.3176.2-52.10000110.7L58 V62 A239 G240 T241 F245 Y246L58-T243 HydrophobicContact CD1-CG2 3.59Å; L58-T243 HydrophobicContact CD2-CG2 3.82Å; L58-T243 WeakPolarHBondContact CD2-O 3.49Å; L58-T243 HydrophobicContact CG-CG2 3.93Å; V62-T243 HydrophobicContact CG2-CG2 3.7Å; A239-T243 PolarHBondContact O-N 3.09Å; A239-T243 PolarHBondContact O-OG1 2.92Å; G240-T243 CarbonylContact O-C 3.56Å; G240-T243 PolarHBondContact O-N 3.33Å; G240-T243 VanDerWaalsContact O-N 3.12Å; T241-T243 VanDerWaalsContact C-N 3.27Å; T241-T243 PolarHBondContact O-N 3.4Å; T243-F245 PolarHBondContact O-N 2.99Å; T243-F245 VanDerWaalsContact O-N 3.16Å; T243-Y246 VanDerWaalsContact O-CB 3.24Å; T243-Y246 WeakPolarHBondContact O-CB 3.34Å; T243-Y246 PolarHBondContact O-N 3.48Å
244C89.7Confident87.5Confident0 Ų019.4 Ų19.40%013%0.126CC..Hα-helixtrans-58.1-26.5175.9-73.80000113.5F75 A78 G240 T241 Y246 A247F75-C244 HydrophobicContact CD1-CB 3.74Å; F75-C244 HydrophobicContact CE1-CB 3.72Å; F75-C244 HydrophobicContact CG-CB 4.25Å; F75-C244 HydrophobicContact CZ-CB 4.22Å; F75-C244 VanDerWaalsContact CZ-SG 3.56Å; A78-C244 HydrophobicContact CB-CB 4.05Å; G240-C244 WeakPolarHBondContact O-CB 3.43Å; G240-C244 PolarHBondContact O-N 2.98Å; G240-C244 PolarHBondContact O-SG 3.22Å; T241-C244 PolarHBondContact O-N 3.44Å; C244-Y246 PolarHBondContact O-N 3.46Å; C244-A247 VanDerWaalsContact O-CB 3.28Å; C244-A247 WeakPolarHBondContact O-CB 3.28Å; C244-A247 PolarHBondContact O-N 3.4Å
245F88.3Confident87.3Confident0 Ų014 Ų140%09%0.093CC..G310 helixtrans-54.3-35173.9-172.5-90.7000112.2S82 T241 A242 T243 A247 F248 V249 L399 Y402 L585S82-F245 VanDerWaalsContact OG-CE2 3.31Å; S82-F245 WeakPolarHBondContact OG-CE2 3.5Å; T241-F245 PolarHBondContact O-N 3.24Å; A242-F245 WeakPolarHBondContact O-CB 3.46Å; T243-F245 PolarHBondContact O-N 2.99Å; T243-F245 VanDerWaalsContact O-N 3.16Å; F245-A247 PolarHBondContact O-N 3.31Å; F245-F248 PolarHBondContact O-N 2.9Å; F245-V249 HydrophobicContact CD1-CG2 4.42Å; F245-V249 HydrophobicContact CE1-CG2 4.33Å; F245-L399 HydrophobicContact CD1-CD2 3.77Å; F245-L399 HydrophobicContact CD1-CG 4.14Å; F245-L399 HydrophobicContact CD2-CD2 4.2Å; F245-L399 HydrophobicContact CE1-CD2 3.41Å; F245-L399 VanDerWaalsContact CE1-CD2 3.41Å; F245-L399 HydrophobicContact CE1-CG 3.9Å; F245-L399 HydrophobicContact CE2-CD2 3.86Å; F245-L399 HydrophobicContact CG-CD2 4.14Å; F245-L399 HydrophobicContact CZ-CD2 3.44Å; F245-L399 VanDerWaalsContact CZ-CD2 3.44Å; F245-L399 HydrophobicContact CZ-CG 4.39Å; F245-Y402 HydrophobicContact CE1-CD2 4.24Å; F245-Y402 AromaticContact CE1-CE2 3.97Å; F245-Y402 HydrophobicContact CE1-CE2 3.97Å; F245-Y402 AromaticContact CZ-CD2 3.61Å; F245-Y402 HydrophobicContact CZ-CD2 3.61Å; F245-Y402 AromaticContact CZ-CE2 3.58Å; F245-Y402 HydrophobicContact CZ-CE2 3.58Å; F245-L585 HydrophobicContact CB-CD1 4.43Å; F245-L585 HydrophobicContact CD2-CD1 3.91Å; F245-L585 HydrophobicContact CG-CD1 4.3Å
246Y87Confident87Confident16 Ų1610.2 Ų10.26%0.0637%0.067CC..G310 helixtrans-54.4-38.2174168.4-119.3000112.6S53 L58 T243 C244 F248 V249 V391 L394S53-Y246 WeakPolarHBondContact OG-CE1 3.49Å; S53-Y246 PolarHBondContact OG-OH 3.48Å; L58-Y246 HydrophobicContact CD2-CD1 3.71Å; L58-Y246 HydrophobicContact CD2-CG 4.42Å; T243-Y246 VanDerWaalsContact O-CB 3.24Å; T243-Y246 WeakPolarHBondContact O-CB 3.34Å; T243-Y246 PolarHBondContact O-N 3.48Å; C244-Y246 PolarHBondContact O-N 3.46Å; Y246-F248 PolarHBondContact O-N 2.93Å; Y246-F248 VanDerWaalsContact O-N 3.14Å; Y246-V249 WeakPolarHBondContact O-CB 3.36Å; Y246-V249 PolarHBondContact O-N 2.98Å; Y246-V391 HydrophobicContact CD1-CG1 3.8Å; Y246-V391 HydrophobicContact CD1-CG2 3.92Å; Y246-V391 HydrophobicContact CD2-CG1 4.38Å; Y246-V391 HydrophobicContact CE1-CG1 4.49Å; Y246-V391 HydrophobicContact CE1-CG2 3.77Å; Y246-V391 HydrophobicContact CG-CG1 3.71Å; Y246-V391 HydrophobicContact CG-CG2 4.36Å; Y246-L394 HydrophobicContact CD2-CD2 3.51Å; Y246-L394 HydrophobicContact CD2-CG 4.39Å; Y246-L394 HydrophobicContact CE2-CD2 3.23Å; Y246-L394 HydrophobicContact CE2-CG 4.48Å
247A90.1Very high86.7Confident1 Ų110.1 Ų10.11%0.0087%0.065CC..G310 helixtrans-65.7-19.3-178.800000113.1F75 C244 F245 Y283F75-A247 HydrophobicContact CE1-CB 3.72Å; C244-A247 VanDerWaalsContact O-CB 3.28Å; C244-A247 WeakPolarHBondContact O-CB 3.28Å; C244-A247 PolarHBondContact O-N 3.4Å; F245-A247 PolarHBondContact O-N 3.31Å; A247-Y283 HydrophobicContact CB-CD1 4.44Å; A247-Y283 HydrophobicContact CB-CD2 4.49Å; A247-Y283 HydrophobicContact CB-CE1 3.85Å; A247-Y283 HydrophobicContact CB-CE2 3.93Å; A247-Y283 VanDerWaalsContact O-CE2 3.23Å; A247-Y283 WeakPolarHBondContact O-CE2 3.43Å; A247-Y283 PolarHBondContact O-OH 3.36Å
248F90.6Very high86.3Confident1 Ų19.6 Ų9.60%0.0046%0.062CC..G310 helixtrans-94.9-5.1177-69.2-73.2000113.5F75 A78 G79 S82 F245 Y246 F251 L276 A280 Y283F75-F248 AromaticContact CD1-CE2 3.95Å; F75-F248 HydrophobicContact CD1-CE2 3.95Å; F75-F248 HydrophobicContact CD1-CZ 4.42Å; A78-F248 HydrophobicContact CB-CD2 3.94Å; A78-F248 HydrophobicContact CB-CE2 3.81Å; G79-F248 VanDerWaalsContact CA-CZ 3.47Å; S82-F248 WeakPolarHBondContact OG-CB 3.31Å; F245-F248 PolarHBondContact O-N 2.9Å; Y246-F248 PolarHBondContact O-N 2.93Å; Y246-F248 VanDerWaalsContact O-N 3.14Å; F248-F251 VanDerWaalsContact O-CD1 3.27Å; F248-F251 WeakPolarHBondContact O-CD1 3.48Å; F248-L276 HydrophobicContact CB-CD1 4.38Å; F248-L276 HydrophobicContact CD1-CD1 3.65Å; F248-L276 HydrophobicContact CE1-CD1 4.4Å; F248-L276 HydrophobicContact CG-CD1 4.44Å; F248-A280 VanDerWaalsContact CE1-CA 3.49Å; F248-A280 HydrophobicContact CE1-CB 3.63Å; F248-A280 HydrophobicContact CZ-CB 3.96Å; F248-Y283 HydrophobicContact CD1-CD2 4.13Å; F248-Y283 HydrophobicContact CD1-CE2 4.04Å; F248-Y283 AromaticContact CE1-CD2 3.54Å; F248-Y283 HydrophobicContact CE1-CD2 3.54Å; F248-Y283 AromaticContact CE1-CE2 3.93Å; F248-Y283 HydrophobicContact CE1-CE2 3.93Å; F248-Y283 HydrophobicContact CE2-CD2 4.22Å; F248-Y283 AromaticContact CZ-CD2 3.6Å; F248-Y283 HydrophobicContact CZ-CD2 3.6Å; F248-Y283 HydrophobicContact CZ-CE2 4.31Å; F248-Y283 HydrophobicContact CZ-CG 4.49Å
249V88.5Confident86Confident20 Ų208.3 Ų8.312%0.1216%0.056CC..THydrogen-bonded Turntrans-67.7137.9172.61780000108.9F245 Y246 T398F245-V249 HydrophobicContact CD1-CG2 4.42Å; F245-V249 HydrophobicContact CE1-CG2 4.33Å; Y246-V249 WeakPolarHBondContact O-CB 3.36Å; Y246-V249 PolarHBondContact O-N 2.98Å; V249-T398 HydrophobicContact CB-CG2 4.48Å; V249-T398 HydrophobicContact CG1-CG2 3.81Å; V249-T398 HydrophobicContact CG2-CG2 3.76Å
250G87.6Confident85.9Confident6 Ų67.5 Ų7.56%0.0624%0.044CC..THydrogen-bonded Turntrans121.8-11-179.800000115D252 V253G250-D252 WeakPolarHBondContact CA-OD1 3.39Å; G250-D252 PolarHBondContact N-OD1 3.25Å; G250-D252 PolarHBondContact O-N 3.41Å; G250-V253 WeakPolarHBondContact O-CB 3.4Å; G250-V253 WeakPolarHBondContact O-CG2 3.42Å; G250-V253 PolarHBondContact O-N 3.01Å
251F88.9Confident85.8Confident1 Ų17.5 Ų7.50%0.0044%0.044CC..THydrogen-bonded Turntrans-66.2-24.4172.468.1-104000112.6M50 A85 A86 Y89 F248 V253 I254 T272 L276 Y402M50-F251 HydrophobicContact CE-CB 4.29Å; M50-F251 HydrophobicContact SD-CB 3.91Å; A85-F251 HydrophobicContact CB-CZ 4.34Å; A86-F251 HydrophobicContact CB-CD1 4.28Å; A86-F251 HydrophobicContact CB-CD2 3.82Å; A86-F251 HydrophobicContact CB-CE1 4.21Å; A86-F251 HydrophobicContact CB-CE2 3.78Å; A86-F251 HydrophobicContact CB-CG 4.11Å; A86-F251 HydrophobicContact CB-CZ 3.97Å; Y89-F251 AromaticContact CD2-CE2 3.89Å; Y89-F251 HydrophobicContact CD2-CE2 3.89Å; Y89-F251 HydrophobicContact CD2-CZ 4.35Å; Y89-F251 HydrophobicContact CE2-CE2 4.49Å; Y89-F251 AromaticContact CG-CE2 3.9Å; Y89-F251 HydrophobicContact CG-CE2 3.9Å; F248-F251 VanDerWaalsContact O-CD1 3.27Å; F248-F251 WeakPolarHBondContact O-CD1 3.48Å; F251-V253 PolarHBondContact O-N 3.46Å; F251-I254 VanDerWaalsContact O-CB 3.31Å; F251-I254 WeakPolarHBondContact O-CB 3.34Å; F251-I254 WeakPolarHBondContact O-CG1 3.4Å; F251-I254 PolarHBondContact O-N 3.12Å; F251-T272 HydrophobicContact CD2-CG2 4.18Å; F251-L276 HydrophobicContact CD1-CD1 4.2Å; F251-Y402 AromaticContact CE1-CE2 3.56Å; F251-Y402 HydrophobicContact CE1-CE2 3.56Å; F251-Y402 AromaticContact CE1-CZ 3.65Å; F251-Y402 WeakPolarHBondContact CE1-OH 3.49Å; F251-Y402 HydrophobicContact CZ-CD2 4.15Å; F251-Y402 HydrophobicContact CZ-CE1 4.05Å; F251-Y402 AromaticContact CZ-CE2 3.45Å; F251-Y402 HydrophobicContact CZ-CE2 3.45Å; F251-Y402 VanDerWaalsContact CZ-CE2 3.45Å; F251-Y402 AromaticContact CZ-CZ 3.39Å; F251-Y402 WeakPolarHBondContact CZ-OH 3.37Å
252D86.9Confident85.5Confident3 Ų313.5 Ų13.52%0.0167%0.07CC..Hα-helixtrans-70.5-17.3179.965.7-55.2000112.6Y89 Y126 G250 I254 A255 A256Y89-D252 HydrophobicContact CD1-CB 4.19Å; Y89-D252 HydrophobicContact CE1-CB 3.98Å; Y126-D252 PolarHBondContact OH-OD2 3.36Å; G250-D252 WeakPolarHBondContact CA-OD1 3.39Å; G250-D252 PolarHBondContact N-OD1 3.25Å; G250-D252 PolarHBondContact O-N 3.41Å; D252-I254 PolarHBondContact O-N 3.34Å; D252-A255 WeakPolarHBondContact O-CA 3.35Å; D252-A255 WeakPolarHBondContact O-CB 3.42Å; D252-A255 PolarHBondContact O-N 2.95Å; D252-A256 PolarHBondContact O-N 3.48Å
253V83.8Confident85.6Confident3 Ų316.9 Ų16.92%0.0189%0.088CC..Hα-helixtrans-57.9-31.9168.4178.20000111.4L45 Y126 G250 F251 A255 A256 S257L45-V253 HydrophobicContact CD1-CG1 4.45Å; L45-V253 HydrophobicContact CD2-CG1 3.98Å; L45-V253 HydrophobicContact CG-CG1 4Å; Y126-V253 HydrophobicContact CE1-CG2 4.08Å; G250-V253 WeakPolarHBondContact O-CB 3.4Å; G250-V253 WeakPolarHBondContact O-CG2 3.42Å; G250-V253 PolarHBondContact O-N 3.01Å; F251-V253 PolarHBondContact O-N 3.46Å; V253-A255 VanDerWaalsContact C-N 3.34Å; V253-A256 PolarHBondContact O-N 3.29Å; V253-S257 WeakPolarHBondContact O-CB 3.49Å; V253-S257 PolarHBondContact O-N 2.99Å; V253-S257 PolarHBondContact O-OG 3.35Å
254I87.3Confident85.6Confident0 Ų015.1 Ų15.10%08%0.077CC..Hα-helixtrans-63-43.8174.2-59.1173.5000110L42 F251 D252 S257 S258 I268 A271 S275L42-I254 HydrophobicContact CB-CG2 4.35Å; L42-I254 HydrophobicContact CD2-CG2 4.39Å; F251-I254 VanDerWaalsContact O-CB 3.31Å; F251-I254 WeakPolarHBondContact O-CB 3.34Å; F251-I254 WeakPolarHBondContact O-CG1 3.4Å; F251-I254 PolarHBondContact O-N 3.12Å; D252-I254 PolarHBondContact O-N 3.34Å; I254-S257 PolarHBondContact O-N 2.84Å; I254-S258 PolarHBondContact O-N 3.39Å; I254-I268 HydrophobicContact CG2-CG2 4.17Å; I254-A271 HydrophobicContact CD1-CB 4.34Å; I254-A271 HydrophobicContact CG2-CB 4.2Å; I254-S275 WeakPolarHBondContact CD1-OG 3.4Å
255A84.1Confident85.4Confident2 Ų218.1 Ų18.12%0.0179%0.091CC..Hα-helixtrans-69-36.8178.200000111.6Y89 F105 D252 V253 S257 S258Y89-A255 HydrophobicContact CD1-CB 4.26Å; F105-A255 HydrophobicContact CE2-CB 4.37Å; F105-A255 HydrophobicContact CZ-CB 4.21Å; D252-A255 WeakPolarHBondContact O-CA 3.35Å; D252-A255 WeakPolarHBondContact O-CB 3.42Å; D252-A255 PolarHBondContact O-N 2.95Å; V253-A255 VanDerWaalsContact C-N 3.34Å; A255-S257 PolarHBondContact O-N 3.35Å; A255-S258 VanDerWaalsContact O-CB 3.24Å; A255-S258 WeakPolarHBondContact O-CB 3.27Å; A255-S258 PolarHBondContact O-N 2.86Å; A255-S258 PolarHBondContact O-OG 3Å
256A79.3Confident85.3Confident10 Ų1027.1 Ų27.18%0.08313%0.125CC..Hα-helixtrans-63.2-27.4173.100000112.9D252 V253 S258D252-A256 PolarHBondContact O-N 3.48Å; V253-A256 PolarHBondContact O-N 3.29Å; A256-S258 VanDerWaalsContact C-N 3.34Å
257S79.7Confident85.4Confident7 Ų726.8 Ų26.85%0.04913%0.126CC..THydrogen-bonded Turntrans-93.413.7179.7-53.70000113.7L45 V253 I254 A255 E259 E260 A261L45-S257 WeakPolarHBondContact CD2-OG 3.16Å; V253-S257 WeakPolarHBondContact O-CB 3.49Å; V253-S257 PolarHBondContact O-N 2.99Å; V253-S257 PolarHBondContact O-OG 3.35Å; I254-S257 PolarHBondContact O-N 2.84Å; A255-S257 PolarHBondContact O-N 3.35Å; S257-E259 VanDerWaalsContact C-N 3.3Å; S257-E259 PolarHBondContact O-N 3.05Å; S257-E260 PolarHBondContact O-N 2.79Å; S257-E260 VanDerWaalsContact O-N 3.11Å; S257-A261 PolarHBondContact O-N 2.95Å
258S81.4Confident85.4Confident1 Ų126.8 Ų26.81%0.00713%0.125CC..G310 helixtrans-60.8-32.5-175.1600000114.3R98 I254 A255 A256 E260 A261R98-S258 PolarHBondContact O-OG 3.38Å; I254-S258 PolarHBondContact O-N 3.39Å; A255-S258 VanDerWaalsContact O-CB 3.24Å; A255-S258 WeakPolarHBondContact O-CB 3.27Å; A255-S258 PolarHBondContact O-N 2.86Å; A255-S258 PolarHBondContact O-OG 3Å; A256-S258 VanDerWaalsContact C-N 3.34Å; S258-E260 VanDerWaalsContact C-N 3.3Å; S258-E260 PolarHBondContact O-N 3.32Å; S258-A261 WeakPolarHBondContact O-CB 3.28Å; S258-A261 PolarHBondContact O-N 2.96Å
259E80.9Confident85.4Confident14 Ų1427 Ų277%0.06513%0.127CC..G310 helixtrans-69.9-24177-76.1-173.3178.100113.9T31 M33 R35 P97 R98 T99 S257T31-E259 HydrophobicContact CG2-CB 4.05Å; T31-E259 HydrophobicContact CG2-CG 3.8Å; M33-E259 HydrophobicContact CE-CB 4.01Å; R35-E259 WeakPolarHBondContact CG-O 3.44Å; P97-E259 WeakPolarHBondContact O-CG 3.33Å; R98-E259 VanDerWaalsContact CA-OE1 3.3Å; R98-E259 WeakPolarHBondContact CA-OE1 3.4Å; R98-E259 WeakPolarHBondContact CD-OE1 3.49Å; R98-E259 IonicContact NH1-OE1 3.97Å; T99-E259 WeakPolarHBondContact CB-OE2 3.33Å; T99-E259 VanDerWaalsContact N-CG 3.33Å; T99-E259 PolarHBondContact N-OE1 3.45Å; T99-E259 WeakPolarHBondContact OG1-CB 3.17Å; T99-E259 VanDerWaalsContact OG1-CG 3.27Å; T99-E259 WeakPolarHBondContact OG1-CG 3.43Å; T99-E259 PolarHBondContact OG1-OE1 2.94Å; T99-E259 PolarHBondContact OG1-OE2 2.81Å; S257-E259 VanDerWaalsContact C-N 3.3Å; S257-E259 PolarHBondContact O-N 3.05Å
260E82.2Confident85.6Confident29 Ų2931.3 Ų31.314%0.13615%0.147CC..G310 helixtrans-90.3-9179.6-63.8-177.9-149.400112.3M33 R35 C36 L37 S257 S258 R342M33-E260 HydrophobicContact CB-CG 4.17Å; M33-E260 HydrophobicContact CE-CG 3.69Å; M33-E260 WeakPolarHBondContact CE-OE1 3.35Å; M33-E260 HydrophobicContact SD-CG 4.12Å; R35-E260 CarbonylContact C-O 3.43Å; R35-E260 VanDerWaalsContact CA-O 3.31Å; R35-E260 WeakPolarHBondContact CA-O 3.26Å; C36-E260 PolarHBondContact N-O 3.27Å; L37-E260 HydrophobicContact CD1-CB 3.64Å; L37-E260 HydrophobicContact CG-CB 4.02Å; L37-E260 PolarHBondContact N-O 3.38Å; S257-E260 PolarHBondContact O-N 2.79Å; S257-E260 VanDerWaalsContact O-N 3.11Å; S258-E260 VanDerWaalsContact C-N 3.3Å; S258-E260 PolarHBondContact O-N 3.32Å; E260-R342 IonicContact OE1-CZ 2.66Å; E260-R342 IonicContact OE1-NH1 2.95Å; E260-R342 PolarHBondContact OE1-NH1 2.93Å; E260-R342 IonicContact OE1-NH2 3.93Å; E260-R342 PolarHBondContact OE1-NH2 3.42Å
261A85Confident85.8Confident0 Ų031 Ų310%014%0.144CC..BIsolated β-bridgetrans-74.5134.2-179.100000111.8R35 L42 S257 S258 N263 P264R35-A261 WeakPolarHBondContact CG-O 3.16Å; L42-A261 HydrophobicContact CD1-CB 3.84Å; S257-A261 PolarHBondContact O-N 2.95Å; S258-A261 WeakPolarHBondContact O-CB 3.28Å; S258-A261 PolarHBondContact O-N 2.96Å; A261-N263 PolarHBondContact O-N 3.26Å; A261-P264 HydrophobicContact CB-CB 4.24Å
262K84.6Confident85.9Confident127 Ų12731.1 Ų31.155%0.55215%0.145SC*.SBendtrans-61.7-42175.9-72.9-179-178.6173.50113C36 L37 T38C36-K262 WeakPolarHBondContact O-CE 3.12Å; L37-K262 PolarHBondContact O-N 3.45Å; T38-K262 HydrophobicContact CG2-CD 4.31Å
263N86.3Confident86.2Confident74 Ų7432.6 Ų32.640%0.39616%0.157SC..SBendtrans-134.380.9178.2-174.4-9.1000110.1A261 Q265 R266 A267A261-N263 PolarHBondContact O-N 3.26Å; N263-Q265 VanDerWaalsContact C-N 3.28Å; N263-Q265 PolarHBondContact O-N 3.31Å; N263-R266 PolarHBondContact O-N 3.02Å; N263-A267 WeakPolarHBondContact O-CB 3.23Å; N263-A267 PolarHBondContact O-N 2.91Å
264P84.7Confident86.6Confident2 Ų236.2 Ų36.21%0.01318%0.176CC..Hα-helixtrans-61.4-36.2-17222.7-32.5000112.7P97 A261 R266 I268P97-P264 HydrophobicContact CB-CB 3.71Å; P97-P264 HydrophobicContact CB-CG 3.68Å; P97-P264 HydrophobicContact CG-CG 4.31Å; A261-P264 HydrophobicContact CB-CB 4.24Å; P264-R266 VanDerWaalsContact C-N 3.28Å; P264-R266 PolarHBondContact O-N 3.02Å; P264-I268 HydrophobicContact CB-CD1 3.5Å; P264-I268 HydrophobicContact CB-CG1 4.33Å; P264-I268 WeakPolarHBondContact O-CB 3.45Å; P264-I268 WeakPolarHBondContact O-CD1 3.42Å; P264-I268 WeakPolarHBondContact O-CG1 3.34Å; P264-I268 PolarHBondContact O-N 3.03Å
265Q85.8Confident86.9Confident63 Ų6336.2 Ų36.229%0.29418%0.176SC..Hα-helixtrans-60.9-33.1-174.3-65.6169.6-13.400113.8M29 N263 T565M29-Q265 HydrophobicContact CE-CG 4.45Å; M29-Q265 VanDerWaalsContact CE-NE2 3.27Å; N263-Q265 VanDerWaalsContact C-N 3.28Å; N263-Q265 PolarHBondContact O-N 3.31Å; Q265-T565 HydrophobicContact CG-CG2 4.3Å
266R86.6Confident87.3Confident189 Ų18936.2 Ų36.271%0.71318%0.175SC*.Hα-helixtrans-111-35.3178.3-69.6-172.5179.8178.9-0.3113.3N263 P264 M270N263-R266 PolarHBondContact O-N 3.02Å; P264-R266 VanDerWaalsContact C-N 3.28Å; P264-R266 PolarHBondContact O-N 3.02Å; R266-M270 WeakPolarHBondContact O-CB 3.35Å; R266-M270 WeakPolarHBondContact O-CG 3.14Å; R266-M270 PolarHBondContact O-N 3.5Å
267A89.7Confident88Confident10 Ų1038.8 Ų38.88%0.08319%0.192CC..Hα-helixtrans-71.1-39.6-175.500000112M39 L42 N263 A271M39-A267 HydrophobicContact CB-CB 4.15Å; L42-A267 HydrophobicContact CD1-CB 3.98Å; N263-A267 WeakPolarHBondContact O-CB 3.23Å; N263-A267 PolarHBondContact O-N 2.91Å; A267-A271 WeakPolarHBondContact O-CB 3.44Å; A267-A271 PolarHBondContact O-N 3.08Å
268I90Very high88.6Confident0 Ų042.1 Ų42.10%021%0.208CC..Hα-helixtrans-63.1-54.1-178.5-64.9163.3000111G93 I254 P264 M270 A271 T272G93-I268 VanDerWaalsContact O-CD1 3.26Å; G93-I268 WeakPolarHBondContact O-CD1 3.32Å; I254-I268 HydrophobicContact CG2-CG2 4.17Å; P264-I268 HydrophobicContact CB-CD1 3.5Å; P264-I268 HydrophobicContact CB-CG1 4.33Å; P264-I268 WeakPolarHBondContact O-CB 3.45Å; P264-I268 WeakPolarHBondContact O-CD1 3.42Å; P264-I268 WeakPolarHBondContact O-CG1 3.34Å; P264-I268 PolarHBondContact O-N 3.03Å; I268-M270 PolarHBondContact O-N 3.23Å; I268-A271 PolarHBondContact O-N 3.24Å; I268-T272 WeakPolarHBondContact O-CB 3.47Å; I268-T272 PolarHBondContact O-N 3.46Å; I268-T272 PolarHBondContact O-OG1 3.43Å
269P91Very high89.1Confident7 Ų742.1 Ų42.15%0.04521%0.208CC..Hα-helixtrans-60.4-43.1-179.1-23.533.4000113.8A90 A94 A273 F566A90-P269 HydrophobicContact CB-CB 3.98Å; A90-P269 HydrophobicContact CB-CG 4.39Å; A94-P269 HydrophobicContact CB-CG 3.8Å; P269-A273 WeakPolarHBondContact O-CB 3.36Å; P269-A273 PolarHBondContact O-N 2.57Å; P269-F566 HydrophobicContact CB-CB 3.78Å; P269-F566 HydrophobicContact CB-CD1 3.71Å; P269-F566 HydrophobicContact CB-CD2 3.94Å; P269-F566 HydrophobicContact CB-CE1 4.27Å; P269-F566 HydrophobicContact CB-CE2 4.47Å; P269-F566 HydrophobicContact CB-CG 3.53Å; P269-F566 HydrophobicContact CG-CB 3.35Å; P269-F566 HydrophobicContact CG-CD1 3.91Å; P269-F566 HydrophobicContact CG-CD2 4.47Å; P269-F566 HydrophobicContact CG-CG 3.68Å
270M91.2Very high89.8Confident110 Ų11042.3 Ų42.354%0.54221%0.212SC..Hα-helixtrans-69.1-41.3-179.7-67.9-68.7-175.600111.3M39 R266 I268 I274M39-M270 HydrophobicContact CE-CB 3.44Å; M39-M270 VanDerWaalsContact CE-CB 3.44Å; M39-M270 HydrophobicContact CE-CG 4.37Å; M39-M270 HydrophobicContact SD-CB 3.95Å; R266-M270 WeakPolarHBondContact O-CB 3.35Å; R266-M270 WeakPolarHBondContact O-CG 3.14Å; R266-M270 PolarHBondContact O-N 3.5Å; I268-M270 PolarHBondContact O-N 3.23Å; M270-I274 WeakPolarHBondContact O-CB 3.26Å; M270-I274 WeakPolarHBondContact O-CD1 3.46Å; M270-I274 WeakPolarHBondContact O-CG1 3.43Å; M270-I274 PolarHBondContact O-N 3.43Å
271A92.6Very high90.4Very high0 Ų044.7 Ų44.70%023%0.229CC..Hα-helixtrans-62.7-47.1176.300000111.3L42 A43 I254 A267 I268 A273 I274 S275L42-A271 HydrophobicContact CB-CB 3.64Å; A43-A271 HydrophobicContact CB-CB 4.31Å; I254-A271 HydrophobicContact CD1-CB 4.34Å; I254-A271 HydrophobicContact CG2-CB 4.2Å; A267-A271 WeakPolarHBondContact O-CB 3.44Å; A267-A271 PolarHBondContact O-N 3.08Å; I268-A271 PolarHBondContact O-N 3.24Å; A271-A273 PolarHBondContact O-N 3.48Å; A271-I274 PolarHBondContact O-N 2.99Å; A271-S275 VanDerWaalsContact O-CB 3.27Å; A271-S275 WeakPolarHBondContact O-CB 3.35Å; A271-S275 PolarHBondContact O-N 3.09Å; A271-S275 PolarHBondContact O-OG 2.86Å
272T91.8Very high90.8Very high3 Ų345.3 Ų45.32%0.01823%0.234CC..Hα-helixtrans-60.3-45.5178.8-60.90000112.3A86 F251 I268 S275 L276A86-T272 HydrophobicContact CB-CG2 3.76Å; F251-T272 HydrophobicContact CD2-CG2 4.18Å; I268-T272 WeakPolarHBondContact O-CB 3.47Å; I268-T272 PolarHBondContact O-N 3.46Å; I268-T272 PolarHBondContact O-OG1 3.43Å; T272-S275 PolarHBondContact O-OG 3.07Å; T272-L276 VanDerWaalsContact O-CB 3.3Å; T272-L276 WeakPolarHBondContact O-CB 3.25Å; T272-L276 PolarHBondContact O-N 3.3Å; T272-L276 VanDerWaalsContact O-N 3.14Å
273A91.8Very high91.3Very high33 Ų3339.3 Ų39.327%0.27321%0.208SC..Hα-helixtrans-65.8-46.1178.100000112P269 A271 L276 C277P269-A273 WeakPolarHBondContact O-CB 3.36Å; P269-A273 PolarHBondContact O-N 2.57Å; A271-A273 PolarHBondContact O-N 3.48Å; A273-L276 PolarHBondContact O-N 3.34Å; A273-C277 WeakPolarHBondContact O-CB 3.06Å; A273-C277 PolarHBondContact O-N 2.85Å; A273-C277 PolarHBondContact O-SG 3.3Å
274I92.4Very high91.8Very high79 Ų7937.8 Ų37.841%0.40520%0.199SC..Hα-helixtrans-64.9-46.8-179.7-69.1168.7000111M39 M270 A271 L276 C277 M278M39-I274 HydrophobicContact CE-CD1 3.27Å; M270-I274 WeakPolarHBondContact O-CB 3.26Å; M270-I274 WeakPolarHBondContact O-CD1 3.46Å; M270-I274 WeakPolarHBondContact O-CG1 3.43Å; M270-I274 PolarHBondContact O-N 3.43Å; A271-I274 PolarHBondContact O-N 2.99Å; I274-L276 VanDerWaalsContact C-N 3.29Å; I274-L276 PolarHBondContact O-N 3.24Å; I274-C277 PolarHBondContact O-N 3.49Å; I274-M278 WeakPolarHBondContact O-CB 3.36Å; I274-M278 PolarHBondContact O-N 3.06Å
275S92.9Very high92.3Very high0 Ų040.5 Ų40.50%021%0.213CC..Hα-helixtrans-60-43.6-179.160.40000110.9M50 I254 A271 T272 M278 A279M50-S275 VanDerWaalsContact CE-C 3.46Å; M50-S275 WeakPolarHBondContact CE-O 3.15Å; I254-S275 WeakPolarHBondContact CD1-OG 3.4Å; A271-S275 VanDerWaalsContact O-CB 3.27Å; A271-S275 WeakPolarHBondContact O-CB 3.35Å; A271-S275 PolarHBondContact O-N 3.09Å; A271-S275 PolarHBondContact O-OG 2.86Å; T272-S275 PolarHBondContact O-OG 3.07Å; S275-M278 PolarHBondContact O-N 2.76Å; S275-A279 WeakPolarHBondContact O-CB 3.32Å; S275-A279 PolarHBondContact O-N 3.12Å
276L93.2Very high92.8Very high2 Ų237.5 Ų37.51%0.0120%0.199CC..Hα-helixtrans-72.1-43-176.7-171.374.3000111.9M50 L83 A86 F248 F251 T272 A273 I274 M278 A279 A280M50-L276 HydrophobicContact SD-CD1 3.55Å; M50-L276 VanDerWaalsContact SD-CD1 3.55Å; L83-L276 HydrophobicContact CB-CD2 3.69Å; L83-L276 HydrophobicContact CD1-CD2 3.8Å; L83-L276 HydrophobicContact CG-CD2 4.36Å; A86-L276 HydrophobicContact CB-CD2 3.75Å; F248-L276 HydrophobicContact CB-CD1 4.38Å; F248-L276 HydrophobicContact CD1-CD1 3.65Å; F248-L276 HydrophobicContact CE1-CD1 4.4Å; F248-L276 HydrophobicContact CG-CD1 4.44Å; F251-L276 HydrophobicContact CD1-CD1 4.2Å; T272-L276 VanDerWaalsContact O-CB 3.3Å; T272-L276 WeakPolarHBondContact O-CB 3.25Å; T272-L276 PolarHBondContact O-N 3.3Å; T272-L276 VanDerWaalsContact O-N 3.14Å; A273-L276 PolarHBondContact O-N 3.34Å; I274-L276 VanDerWaalsContact C-N 3.29Å; I274-L276 PolarHBondContact O-N 3.24Å; L276-M278 VanDerWaalsContact C-N 3.3Å; L276-M278 PolarHBondContact O-N 3.06Å; L276-A279 PolarHBondContact O-N 3.37Å; L276-A280 VanDerWaalsContact O-CB 3.32Å; L276-A280 WeakPolarHBondContact O-CB 3.49Å; L276-A280 PolarHBondContact O-N 3.05Å
277C93.4Very high93.2Very high65 Ų6528.5 Ų28.544%0.43917%0.165SC..Hα-helixtrans-60.4-41.6174.6-73.50000111.5A273 I274 T281A273-C277 WeakPolarHBondContact O-CB 3.06Å; A273-C277 PolarHBondContact O-N 2.85Å; A273-C277 PolarHBondContact O-SG 3.3Å; I274-C277 PolarHBondContact O-N 3.49Å; C277-T281 WeakPolarHBondContact O-CB 3.47Å; C277-T281 PolarHBondContact O-N 3.11Å; C277-T281 PolarHBondContact O-OG1 3.44Å
278M92.5Very high93.4Very high77 Ų7729.1 Ų29.138%0.37917%0.168SC..Hα-helixtrans-65.8-43.8177.2-169164.164.700111.8V47 L203 I274 S275 L276 T281 A282V47-M278 HydrophobicContact CB-CE 4.02Å; V47-M278 HydrophobicContact CG1-CE 3.91Å; V47-M278 HydrophobicContact CG2-CE 3.11Å; L203-M278 HydrophobicContact CD1-CE 4.08Å; I274-M278 WeakPolarHBondContact O-CB 3.36Å; I274-M278 PolarHBondContact O-N 3.06Å; S275-M278 PolarHBondContact O-N 2.76Å; L276-M278 VanDerWaalsContact C-N 3.3Å; L276-M278 PolarHBondContact O-N 3.06Å; M278-T281 PolarHBondContact O-N 3.5Å; M278-A282 WeakPolarHBondContact O-CB 3.37Å; M278-A282 PolarHBondContact O-N 3.19Å
279A93.4Very high93.6Very high1 Ų129.1 Ų29.11%0.00817%0.168CC..Hα-helixtrans-62.8-46.217500000111.8M50 V51 S275 L276 T281 A282 Y283M50-A279 HydrophobicContact CB-CB 4.31Å; M50-A279 HydrophobicContact CE-CB 3.92Å; M50-A279 HydrophobicContact SD-CB 4.03Å; V51-A279 HydrophobicContact CG2-CB 4.4Å; S275-A279 WeakPolarHBondContact O-CB 3.32Å; S275-A279 PolarHBondContact O-N 3.12Å; L276-A279 PolarHBondContact O-N 3.37Å; A279-T281 VanDerWaalsContact C-N 3.34Å; A279-T281 PolarHBondContact O-N 3.33Å; A279-A282 PolarHBondContact O-N 2.94Å; A279-Y283 HydrophobicContact CB-CD2 4.43Å; A279-Y283 HydrophobicContact CB-CE2 4.04Å; A279-Y283 WeakPolarHBondContact O-CD2 3.36Å; A279-Y283 PolarHBondContact O-N 3.39Å
280A94.5Very high93.8Very high18 Ų1828.8 Ų28.815%0.14917%0.166CC..Hα-helixtrans-59.3-44.3178.100000112.2F248 L276 Y283 I284F248-A280 VanDerWaalsContact CE1-CA 3.49Å; F248-A280 HydrophobicContact CE1-CB 3.63Å; F248-A280 HydrophobicContact CZ-CB 3.96Å; L276-A280 VanDerWaalsContact O-CB 3.32Å; L276-A280 WeakPolarHBondContact O-CB 3.49Å; L276-A280 PolarHBondContact O-N 3.05Å; A280-Y283 PolarHBondContact O-N 3.37Å; A280-I284 WeakPolarHBondContact O-CB 3.17Å; A280-I284 WeakPolarHBondContact O-CD1 3.21Å; A280-I284 VanDerWaalsContact O-CG1 3.23Å; A280-I284 WeakPolarHBondContact O-CG1 3.31Å; A280-I284 PolarHBondContact O-N 3.04Å
281T94.6Very high93.9Very high78 Ų7823.6 Ų23.648%0.47914%0.14SC..Hα-helixtrans-63.7-44.3176.8-55.10000110.7C277 M278 A279 I284 L285C277-T281 WeakPolarHBondContact O-CB 3.47Å; C277-T281 PolarHBondContact O-N 3.11Å; C277-T281 PolarHBondContact O-OG1 3.44Å; M278-T281 PolarHBondContact O-N 3.5Å; A279-T281 VanDerWaalsContact C-N 3.34Å; A279-T281 PolarHBondContact O-N 3.33Å; T281-I284 PolarHBondContact O-N 3.34Å; T281-L285 HydrophobicContact CG2-CD1 3.73Å; T281-L285 HydrophobicContact CG2-CG 4.24Å; T281-L285 WeakPolarHBondContact O-CB 3.45Å; T281-L285 WeakPolarHBondContact O-CG 3.46Å; T281-L285 PolarHBondContact O-N 3.39Å
282A94.4Very high93.9Very high14 Ų1424.6 Ų24.612%0.11615%0.146CC..Hα-helixtrans-60.8-46.1176.100000111.9L55 I206 M278 A279 I284 L285 V286L55-A282 HydrophobicContact CD1-CB 4.33Å; I206-A282 HydrophobicContact CG2-CB 4.3Å; M278-A282 WeakPolarHBondContact O-CB 3.37Å; M278-A282 PolarHBondContact O-N 3.19Å; A279-A282 PolarHBondContact O-N 2.94Å; A282-I284 PolarHBondContact O-N 3.5Å; A282-L285 PolarHBondContact O-N 3.24Å; A282-V286 VanDerWaalsContact O-CB 3.27Å; A282-V286 WeakPolarHBondContact O-CB 3.47Å; A282-V286 VanDerWaalsContact O-CG2 3.23Å; A282-V286 WeakPolarHBondContact O-CG2 3.26Å; A282-V286 PolarHBondContact O-N 3.41Å
283Y95.1Very high93.9Very high0 Ų024.7 Ų24.70%015%0.146CC..Hα-helixtrans-60.4-47.2178.1-71.3-50.8000112.9M50 L55 F75 A247 F248 A279 A280 S287M50-Y283 PolarHBondContact O-OH 2.88Å; L55-Y283 VanDerWaalsContact CA-CE1 3.5Å; L55-Y283 HydrophobicContact CB-CD1 4Å; L55-Y283 HydrophobicContact CB-CE1 3.42Å; L55-Y283 VanDerWaalsContact CB-CE1 3.42Å; L55-Y283 HydrophobicContact CD1-CD1 3.72Å; L55-Y283 HydrophobicContact CD1-CE1 3.71Å; L55-Y283 HydrophobicContact CG-CD1 3.95Å; L55-Y283 HydrophobicContact CG-CE1 3.86Å; F75-Y283 HydrophobicContact CD1-CD2 4.45Å; F75-Y283 HydrophobicContact CD1-CG 4.03Å; F75-Y283 HydrophobicContact CE1-CD1 4.08Å; F75-Y283 HydrophobicContact CE1-CG 4.03Å; F75-Y283 HydrophobicContact CZ-CD1 4.46Å; A247-Y283 HydrophobicContact CB-CD1 4.44Å; A247-Y283 HydrophobicContact CB-CD2 4.49Å; A247-Y283 HydrophobicContact CB-CE1 3.85Å; A247-Y283 HydrophobicContact CB-CE2 3.93Å; A247-Y283 VanDerWaalsContact O-CE2 3.23Å; A247-Y283 WeakPolarHBondContact O-CE2 3.43Å; A247-Y283 PolarHBondContact O-OH 3.36Å; F248-Y283 HydrophobicContact CD1-CD2 4.13Å; F248-Y283 HydrophobicContact CD1-CE2 4.04Å; F248-Y283 AromaticContact CE1-CD2 3.54Å; F248-Y283 HydrophobicContact CE1-CD2 3.54Å; F248-Y283 AromaticContact CE1-CE2 3.93Å; F248-Y283 HydrophobicContact CE1-CE2 3.93Å; F248-Y283 HydrophobicContact CE2-CD2 4.22Å; F248-Y283 AromaticContact CZ-CD2 3.6Å; F248-Y283 HydrophobicContact CZ-CD2 3.6Å; F248-Y283 HydrophobicContact CZ-CE2 4.31Å; F248-Y283 HydrophobicContact CZ-CG 4.49Å; A279-Y283 HydrophobicContact CB-CD2 4.43Å; A279-Y283 HydrophobicContact CB-CE2 4.04Å; A279-Y283 WeakPolarHBondContact O-CD2 3.36Å; A279-Y283 PolarHBondContact O-N 3.39Å; A280-Y283 PolarHBondContact O-N 3.37Å; Y283-S287 WeakPolarHBondContact O-CB 3.45Å; Y283-S287 PolarHBondContact O-N 3.38Å; Y283-S287 PolarHBondContact O-OG 3.46Å
284I95.6Very high93.8Very high42 Ų4223.3 Ų23.322%0.21513%0.134CC..Hα-helixtrans-62.2-47.5179.4-71.3168.1000110.3V72 F75 L76 A280 T281 A282 T288V72-I284 HydrophobicContact CG1-CG2 3.86Å; F75-I284 HydrophobicContact CB-CG1 4.26Å; L76-I284 HydrophobicContact CB-CD1 4.26Å; L76-I284 HydrophobicContact CD1-CD1 3.9Å; A280-I284 WeakPolarHBondContact O-CB 3.17Å; A280-I284 WeakPolarHBondContact O-CD1 3.21Å; A280-I284 VanDerWaalsContact O-CG1 3.23Å; A280-I284 WeakPolarHBondContact O-CG1 3.31Å; A280-I284 PolarHBondContact O-N 3.04Å; T281-I284 PolarHBondContact O-N 3.34Å; A282-I284 PolarHBondContact O-N 3.5Å; I284-T288 WeakPolarHBondContact O-CB 3.24Å; I284-T288 PolarHBondContact O-N 3.05Å; I284-T288 PolarHBondContact O-OG1 3.24Å
285L95.9Very high93.8Very high59 Ų5921.1 Ų21.131%0.30913%0.125SC..Hα-helixtrans-68.6-46-178-67.9176.8000112L210 F214 T281 A282 S287 T288 V289L210-L285 HydrophobicContact CD1-CB 4.24Å; L210-L285 HydrophobicContact CD1-CD1 4.01Å; L210-L285 HydrophobicContact CD2-CB 3.48Å; L210-L285 VanDerWaalsContact CD2-CB 3.48Å; F214-L285 HydrophobicContact CE2-CD2 4.42Å; F214-L285 HydrophobicContact CZ-CD2 4.18Å; T281-L285 HydrophobicContact CG2-CD1 3.73Å; T281-L285 HydrophobicContact CG2-CG 4.24Å; T281-L285 WeakPolarHBondContact O-CB 3.45Å; T281-L285 WeakPolarHBondContact O-CG 3.46Å; T281-L285 PolarHBondContact O-N 3.39Å; A282-L285 PolarHBondContact O-N 3.24Å; L285-S287 VanDerWaalsContact C-N 3.33Å; L285-S287 PolarHBondContact O-N 3.39Å; L285-T288 WeakPolarHBondContact O-CB 3.4Å; L285-T288 PolarHBondContact O-N 3.21Å; L285-V289 WeakPolarHBondContact O-CG2 3.2Å; L285-V289 PolarHBondContact O-N 3.36Å
286V95.5Very high93.6Very high0 Ų022.4 Ų22.40%013%0.13CC..Hα-helixtrans-63.8-40.2178.41710000110.9L55 I206 I209 L210 A282 T288 V289 L290 L305L55-V286 HydrophobicContact CD1-CG2 4.36Å; L55-V286 HydrophobicContact CD2-CG1 4.05Å; L55-V286 HydrophobicContact CD2-CG2 4.38Å; L55-V286 HydrophobicContact CG-CG1 4.41Å; I206-V286 HydrophobicContact CG2-CG2 4.28Å; I209-V286 HydrophobicContact CG2-CG2 4.48Å; L210-V286 HydrophobicContact CD2-CB 4.48Å; L210-V286 HydrophobicContact CD2-CG2 3.69Å; L210-V286 HydrophobicContact CG-CG2 4.32Å; A282-V286 VanDerWaalsContact O-CB 3.27Å; A282-V286 WeakPolarHBondContact O-CB 3.47Å; A282-V286 VanDerWaalsContact O-CG2 3.23Å; A282-V286 WeakPolarHBondContact O-CG2 3.26Å; A282-V286 PolarHBondContact O-N 3.41Å; V286-T288 VanDerWaalsContact C-N 3.33Å; V286-T288 PolarHBondContact O-N 2.88Å; V286-V289 PolarHBondContact O-N 2.71Å; V286-L290 WeakPolarHBondContact O-CB 3.29Å; V286-L290 PolarHBondContact O-N 3Å; V286-L305 HydrophobicContact CG1-CD1 3.86Å; V286-L305 HydrophobicContact CG1-CD2 3.53Å; V286-L305 HydrophobicContact CG1-CG 4.33Å
287S94.8Very high93.4Very high0 Ų026 Ų260%015%0.147CC..Hα-helixtrans-64.9-38.6176.4-56.90000112.1T59 F75 Y283 L285 T291T59-S287 VanDerWaalsContact CG2-OG 3.24Å; T59-S287 WeakPolarHBondContact CG2-OG 3.11Å; F75-S287 WeakPolarHBondContact CD2-OG 3.22Å; F75-S287 VanDerWaalsContact CE2-OG 3.23Å; F75-S287 WeakPolarHBondContact CE2-OG 3.2Å; Y283-S287 WeakPolarHBondContact O-CB 3.45Å; Y283-S287 PolarHBondContact O-N 3.38Å; Y283-S287 PolarHBondContact O-OG 3.46Å; L285-S287 VanDerWaalsContact C-N 3.33Å; L285-S287 PolarHBondContact O-N 3.39Å; S287-T291 WeakPolarHBondContact O-CG2 3.44Å; S287-T291 PolarHBondContact O-N 2.96Å; S287-T291 VanDerWaalsContact O-N 3.14Å; S287-T291 PolarHBondContact O-OG1 3.34Å
288T94.6Very high93.1Very high23 Ų2325 Ų2514%0.14114%0.141CC..Hα-helixtrans-63.2-47.9174.8-58.80000110.7V72 F214 W222 I284 L285 V286 T291 L292V72-T288 WeakPolarHBondContact CG2-OG1 3.49Å; F214-T288 HydrophobicContact CE1-CG2 4.45Å; W222-T288 HydrophobicContact CH2-CG2 3.91Å; W222-T288 HydrophobicContact CZ2-CG2 3.95Å; I284-T288 WeakPolarHBondContact O-CB 3.24Å; I284-T288 PolarHBondContact O-N 3.05Å; I284-T288 PolarHBondContact O-OG1 3.24Å; L285-T288 WeakPolarHBondContact O-CB 3.4Å; L285-T288 PolarHBondContact O-N 3.21Å; V286-T288 VanDerWaalsContact C-N 3.33Å; V286-T288 PolarHBondContact O-N 2.88Å; T288-T291 PolarHBondContact O-OG1 2.87Å; T288-L292 HydrophobicContact CG2-CD1 3.74Å; T288-L292 WeakPolarHBondContact O-CB 3.49Å; T288-L292 VanDerWaalsContact O-CG 3.29Å; T288-L292 WeakPolarHBondContact O-CG 3.02Å; T288-L292 PolarHBondContact O-N 3.05Å; T288-L292 VanDerWaalsContact O-N 3.08Å
289V94.9Very high92.8Very high0 Ų021.4 Ų21.40%012%0.122CC..Hα-helixtrans-60.3-49.8177.6165.60000111.2L210 G213 F214 L285 V286 T291 L292 M293L210-V289 HydrophobicContact CD2-CG2 4.24Å; G213-V289 VanDerWaalsContact CA-CG1 3.48Å; F214-V289 HydrophobicContact CD1-CG2 3.87Å; F214-V289 HydrophobicContact CD2-CG2 3.73Å; F214-V289 HydrophobicContact CE1-CG2 3.77Å; F214-V289 HydrophobicContact CE2-CG2 3.6Å; F214-V289 HydrophobicContact CG-CG2 3.84Å; F214-V289 HydrophobicContact CZ-CG2 3.62Å; L285-V289 WeakPolarHBondContact O-CG2 3.2Å; L285-V289 PolarHBondContact O-N 3.36Å; V286-V289 PolarHBondContact O-N 2.71Å; V289-T291 PolarHBondContact O-N 3.48Å; V289-L292 PolarHBondContact O-N 3.29Å; V289-M293 HydrophobicContact CG1-CG 4.16Å; V289-M293 HydrophobicContact CG1-SD 3.55Å; V289-M293 VanDerWaalsContact CG1-SD 3.55Å; V289-M293 WeakPolarHBondContact O-CB 3.31Å; V289-M293 VanDerWaalsContact O-CG 3.26Å; V289-M293 WeakPolarHBondContact O-CG 3.07Å; V289-M293 PolarHBondContact O-N 2.81Å
290L94.2Very high92.5Very high0 Ų022.8 Ų22.80%013%0.13CC..Hα-helixtrans-57.6-48.5-178.2177.362.8000112T59 V286 L292 M293 V294 L299 A304 L305 A308T59-L290 HydrophobicContact CG2-CD2 3.92Å; V286-L290 WeakPolarHBondContact O-CB 3.29Å; V286-L290 PolarHBondContact O-N 3Å; L290-L292 VanDerWaalsContact C-N 3.31Å; L290-L292 PolarHBondContact O-N 2.88Å; L290-M293 PolarHBondContact O-N 3.41Å; L290-V294 PolarHBondContact O-N 3.48Å; L290-L299 HydrophobicContact CD1-CD2 3.81Å; L290-L299 HydrophobicContact CD2-CD1 4.36Å; L290-L299 HydrophobicContact CG-CD1 4.32Å; L290-L299 HydrophobicContact CG-CD2 4.27Å; L290-A304 HydrophobicContact CD1-CB 4.27Å; L290-A304 HydrophobicContact CD2-CB 4Å; L290-L305 HydrophobicContact CB-CD2 4.08Å; L290-L305 HydrophobicContact CD1-CD2 4.06Å; L290-L305 HydrophobicContact CD2-CD2 4.3Å; L290-L305 HydrophobicContact CG-CD2 4.37Å; L290-A308 HydrophobicContact CD1-CB 3.79Å
291T93Very high92Very high1 Ų123.3 Ų23.31%0.00613%0.132CC..Hα-helixtrans-75.1-18.8-177.1580000113.6A63 V71 W222 S287 T288 V289A63-T291 HydrophobicContact CB-CG2 4.14Å; V71-T291 HydrophobicContact CG1-CG2 3.91Å; W222-T291 PolarHBondContact NE1-OG1 3.35Å; W222-T291 VanDerWaalsContact NE1-OG1 3.12Å; S287-T291 WeakPolarHBondContact O-CG2 3.44Å; S287-T291 PolarHBondContact O-N 2.96Å; S287-T291 VanDerWaalsContact O-N 3.14Å; S287-T291 PolarHBondContact O-OG1 3.34Å; T288-T291 PolarHBondContact O-OG1 2.87Å; V289-T291 PolarHBondContact O-N 3.48Å
292L92.8Very high91.5Very high22 Ų2222.3 Ų22.312%0.11512%0.124CC..Hα-helixtrans-88.2-27171.6-74.7170.8000113A217 D218 N221 W222 T288 V289 L290A217-L292 HydrophobicContact CB-CB 3.81Å; A217-L292 HydrophobicContact CB-CD1 4.31Å; D218-L292 PolarHBondContact N-O 3.47Å; N221-L292 PolarHBondContact ND2-O 2.77Å; W222-L292 HydrophobicContact CD2-CD2 3.71Å; W222-L292 HydrophobicContact CD2-CG 4.28Å; W222-L292 HydrophobicContact CE3-CD2 4.36Å; W222-L292 HydrophobicContact CG-CD2 3.74Å; W222-L292 HydrophobicContact CZ2-CD1 4.39Å; W222-L292 HydrophobicContact CZ2-CD2 4.39Å; W222-L292 HydrophobicContact CZ2-CG 4.07Å; T288-L292 HydrophobicContact CG2-CD1 3.74Å; T288-L292 WeakPolarHBondContact O-CB 3.49Å; T288-L292 VanDerWaalsContact O-CG 3.29Å; T288-L292 WeakPolarHBondContact O-CG 3.02Å; T288-L292 PolarHBondContact O-N 3.05Å; T288-L292 VanDerWaalsContact O-N 3.08Å; V289-L292 PolarHBondContact O-N 3.29Å; L290-L292 VanDerWaalsContact C-N 3.31Å; L290-L292 PolarHBondContact O-N 2.88Å
293M91.7Very high91.2Very high4 Ų421.9 Ų21.92%0.0212%0.12CC..Hα-helixtrans-73.8-40.3178.7-78.4176.765.400112.4G213 L216 N221 V289 L290 A308 F309G213-M293 VanDerWaalsContact CA-SD 3.51Å; L216-M293 HydrophobicContact CB-CE 4.26Å; L216-M293 HydrophobicContact CB-CG 4.2Å; L216-M293 HydrophobicContact CD2-CE 3.98Å; N221-M293 PolarHBondContact ND2-O 3.32Å; V289-M293 HydrophobicContact CG1-CG 4.16Å; V289-M293 HydrophobicContact CG1-SD 3.55Å; V289-M293 VanDerWaalsContact CG1-SD 3.55Å; V289-M293 WeakPolarHBondContact O-CB 3.31Å; V289-M293 VanDerWaalsContact O-CG 3.26Å; V289-M293 WeakPolarHBondContact O-CG 3.07Å; V289-M293 PolarHBondContact O-N 2.81Å; L290-M293 PolarHBondContact O-N 3.41Å; M293-A308 HydrophobicContact CE-CB 4.24Å; M293-F309 HydrophobicContact CE-CD1 3.58Å; M293-F309 HydrophobicContact CE-CD2 4.2Å; M293-F309 HydrophobicContact CE-CE1 3.41Å; M293-F309 VanDerWaalsContact CE-CE1 3.41Å; M293-F309 HydrophobicContact CE-CE2 4.05Å; M293-F309 HydrophobicContact CE-CG 3.97Å; M293-F309 HydrophobicContact CE-CZ 3.67Å; M293-F309 HydrophobicContact SD-CE1 4.16Å; M293-F309 HydrophobicContact SD-CE2 4.44Å; M293-F309 HydrophobicContact SD-CZ 3.95Å
294V91.4Very high90.9Very high5 Ų521.9 Ų21.93%0.0312%0.12CC..SBendtrans-139.3140.9-173.8176.30000110.4L290 W296 S298 L299 A308 R312L290-V294 PolarHBondContact O-N 3.48Å; V294-W296 PolarHBondContact O-N 2.95Å; V294-S298 WeakPolarHBondContact CG1-OG 3.22Å; V294-L299 HydrophobicContact CB-CD2 4.16Å; V294-L299 HydrophobicContact CG1-CD2 4.08Å; V294-A308 HydrophobicContact CG2-CB 3.9Å; V294-R312 HydrophobicContact CG2-CG 4.37Å
295P91.3Very high90.7Very high32 Ų3220 Ų2021%0.20811%0.11CC..  trans-56.9133.2174.4-24.633000112.8H297 S298P295-H297 VanDerWaalsContact C-N 3.32Å; P295-H297 PolarHBondContact O-N 3.38Å; P295-S298 PolarHBondContact O-N 3.1Å; P295-S298 PolarHBondContact O-OG 3.1Å
296W88.4Confident90.5Very high27 Ų2717.3 Ų17.310%0.10210%0.096CC..G310 helixtrans-59.6-34.9-170.562.2-88.9000114.2P69 E226 P231 F232 V294 S298 L299P69-W296 HydrophobicContact CG-CG 4.48Å; E226-W296 PolarHBondContact O-NE1 2.98Å; P231-W296 HydrophobicContact CB-CH2 3.9Å; P231-W296 HydrophobicContact CB-CZ2 3.46Å; P231-W296 VanDerWaalsContact CB-CZ2 3.46Å; P231-W296 HydrophobicContact CG-CD2 4.39Å; P231-W296 HydrophobicContact CG-CH2 3.89Å; P231-W296 HydrophobicContact CG-CZ2 3.45Å; P231-W296 VanDerWaalsContact CG-CZ2 3.45Å; P231-W296 HydrophobicContact CG-CZ3 4.5Å; F232-W296 HydrophobicContact CE2-CE3 4.33Å; F232-W296 HydrophobicContact CE2-CH2 4.03Å; F232-W296 AromaticContact CE2-CZ3 3.69Å; F232-W296 HydrophobicContact CE2-CZ3 3.69Å; F232-W296 HydrophobicContact CZ-CH2 4.09Å; F232-W296 AromaticContact CZ-CZ3 3.78Å; F232-W296 HydrophobicContact CZ-CZ3 3.78Å; V294-W296 PolarHBondContact O-N 2.95Å; W296-S298 PolarHBondContact O-N 3.26Å; W296-L299 PolarHBondContact O-N 3.25Å
297H88.9Confident90.3Very high79 Ų7918.6 Ų18.637%0.36610%0.103SC..G310 helixtrans-62.9-27.4178.7-22.3-92.1000113.1K64 E226 P295K64-H297 WeakPolarHBondContact CE-O 3.04Å; E226-H297 PolarHBondContact O-CE1 2.69Å; E226-H297 PolarHBondContact O-NE2 2.82Å; E226-H297 IonicContact OE2-CD2 3.61Å; E226-H297 IonicContact OE2-NE2 2.94Å; P295-H297 VanDerWaalsContact C-N 3.32Å; P295-H297 PolarHBondContact O-N 3.38Å
298S87.6Confident90.1Very high44 Ų4418.7 Ų18.731%0.30810%0.103SC..G310 helixtrans-91.6-14.4-170.778.20000112.6V294 P295 W296 R311V294-S298 WeakPolarHBondContact CG1-OG 3.22Å; P295-S298 PolarHBondContact O-N 3.1Å; P295-S298 PolarHBondContact O-OG 3.1Å; W296-S298 PolarHBondContact O-N 3.26Å; S298-R311 VanDerWaalsContact CB-NH1 3.27Å; S298-R311 PolarHBondContact O-NH1 3.46Å; S298-R311 PolarHBondContact O-NH2 3.4Å; S298-R311 PolarHBondContact OG-NH1 3.01Å
299L87.3Confident90Very high0 Ų017.6 Ų17.60%010%0.097CC..  trans-55.9141.5-176.4-66.6172.9000112.3A63 K64 L290 V294 W296 A304A63-L299 HydrophobicContact CB-CD1 3.98Å; K64-L299 HydrophobicContact CB-CB 4.5Å; K64-L299 WeakPolarHBondContact CD-O 3.37Å; K64-L299 WeakPolarHBondContact CE-O 3.48Å; K64-L299 PolarHBondContact NZ-O 2.97Å; L290-L299 HydrophobicContact CD1-CD2 3.81Å; L290-L299 HydrophobicContact CD2-CD1 4.36Å; L290-L299 HydrophobicContact CG-CD1 4.32Å; L290-L299 HydrophobicContact CG-CD2 4.27Å; V294-L299 HydrophobicContact CB-CD2 4.16Å; V294-L299 HydrophobicContact CG1-CD2 4.08Å; W296-L299 PolarHBondContact O-N 3.25Å; L299-A304 HydrophobicContact CD2-CB 4.43Å
300D86.1Confident89.8Confident31 Ų3120.8 Ų20.817%0.16611%0.111CC..  trans-79.1121164.3-174.1-25.8000109.4S143 H147 N302 A304 D307S143-D300 PolarHBondContact OG-OD2 3.39Å; H147-D300 IonicContact NE2-OD2 2.81Å; D300-N302 PolarHBondContact O-N 3.27Å; D300-N302 PolarHBondContact OD1-N 3.38Å; D300-A304 VanDerWaalsContact O-CA 3.23Å; D300-A304 WeakPolarHBondContact O-CA 3.39Å; D300-A304 VanDerWaalsContact O-CB 3.26Å; D300-A304 WeakPolarHBondContact O-CB 3.45Å; D300-A304 PolarHBondContact O-N 3.01Å; D300-D307 HydrophobicContact CB-CB 4.38Å
301P83.6Confident89.5Confident29 Ų2926.5 Ų26.519%0.18813%0.132CC..THydrogen-bonded Turntrans-58.1-29179.5-24.934.9000115.1T61 K64T61-P301 HydrophobicContact CG2-CB 4.37Å; T61-P301 PolarHBondContact OG1-O 3.09Å; K64-P301 HydrophobicContact CD-CG 3.71Å
302N84.1Confident89.4Confident57 Ų5731 Ų3131%0.30515%0.149SC..THydrogen-bonded Turntrans-89.9-25.7-172.7-69.3-39.1000113.3Y140 D300Y140-N302 WeakPolarHBondContact CD2-O 3.21Å; D300-N302 PolarHBondContact O-N 3.27Å; D300-N302 PolarHBondContact OD1-N 3.38Å
303S88.1Confident89.2Confident5 Ų533 Ų334%0.03518%0.175CC..THydrogen-bonded Turntrans-141.228.1-172.571.40000113.8S143 L305 S306 D307S143-S303 VanDerWaalsContact OG-CB 3.31Å; S143-S303 WeakPolarHBondContact OG-CB 3.15Å; S143-S303 PolarHBondContact OG-OG 2.79Å; S303-L305 VanDerWaalsContact C-N 3.28Å; S303-L305 PolarHBondContact O-N 3.46Å; S303-S306 PolarHBondContact O-N 2.67Å; S303-S306 PolarHBondContact O-OG 3.11Å; S303-D307 WeakPolarHBondContact O-CB 3.28Å; S303-D307 PolarHBondContact O-N 2.95Å
304A90.3Very high89.2Confident0 Ų037.3 Ų37.30%019%0.192CC..Hα-helixtrans-45.8-44.5-170.300000115G60 L290 L299 D300 A308G60-A304 VanDerWaalsContact CA-CB 3.45Å; L290-A304 HydrophobicContact CD1-CB 4.27Å; L290-A304 HydrophobicContact CD2-CB 4Å; L299-A304 HydrophobicContact CD2-CB 4.43Å; D300-A304 VanDerWaalsContact O-CA 3.23Å; D300-A304 WeakPolarHBondContact O-CA 3.39Å; D300-A304 VanDerWaalsContact O-CB 3.26Å; D300-A304 WeakPolarHBondContact O-CB 3.45Å; D300-A304 PolarHBondContact O-N 3.01Å; A304-A308 VanDerWaalsContact O-CB 3.27Å; A304-A308 WeakPolarHBondContact O-CB 3.39Å; A304-A308 PolarHBondContact O-N 3.21Å
305L91.1Very high89.1Confident3 Ų340 Ų402%0.01621%0.211CC..Hα-helixtrans-67.9-44-177.9-75172.1000113.2L55 Y56 I209 V286 L290 S303 F309 V321L55-L305 HydrophobicContact CD2-CD1 3.84Å; Y56-L305 HydrophobicContact CD1-CD1 3.66Å; Y56-L305 HydrophobicContact CE1-CD1 4.17Å; Y56-L305 HydrophobicContact CG-CD1 4.31Å; I209-L305 HydrophobicContact CG2-CD2 4.36Å; V286-L305 HydrophobicContact CG1-CD1 3.86Å; V286-L305 HydrophobicContact CG1-CD2 3.53Å; V286-L305 HydrophobicContact CG1-CG 4.33Å; L290-L305 HydrophobicContact CB-CD2 4.08Å; L290-L305 HydrophobicContact CD1-CD2 4.06Å; L290-L305 HydrophobicContact CD2-CD2 4.3Å; L290-L305 HydrophobicContact CG-CD2 4.37Å; S303-L305 VanDerWaalsContact C-N 3.28Å; S303-L305 PolarHBondContact O-N 3.46Å; L305-F309 WeakPolarHBondContact O-CD2 3.32Å; L305-V321 HydrophobicContact CB-CG1 3.93Å
306S91.8Very high89.2Confident1 Ų144.6 Ų44.61%0.00722%0.224CC..Hα-helixtrans-71.9-43.3177.843.40000111.1Y140 S303 A308 F309 F310Y140-S306 VanDerWaalsContact CZ-OG 3.3Å; Y140-S306 WeakPolarHBondContact OH-CB 3.18Å; Y140-S306 PolarHBondContact OH-OG 2.74Å; S303-S306 PolarHBondContact O-N 2.67Å; S303-S306 PolarHBondContact O-OG 3.11Å; S306-A308 PolarHBondContact O-N 3.37Å; S306-F309 PolarHBondContact O-N 3.39Å; S306-F309 VanDerWaalsContact O-N 3.11Å; S306-F310 WeakPolarHBondContact O-CD2 3.15Å; S306-F310 PolarHBondContact O-N 2.89Å
307D90.1Very high89.4Confident28 Ų2843.3 Ų43.315%0.1522%0.219CC..Hα-helixtrans-59.4-36.9179.2-177.138.9000111.4D300 S303 F309 F310 R311D300-D307 HydrophobicContact CB-CB 4.38Å; S303-D307 WeakPolarHBondContact O-CB 3.28Å; S303-D307 PolarHBondContact O-N 2.95Å; D307-F309 VanDerWaalsContact C-N 3.3Å; D307-F309 PolarHBondContact O-N 2.96Å; D307-F310 PolarHBondContact O-N 3.19Å; D307-F310 VanDerWaalsContact O-N 3.13Å; D307-R311 VanDerWaalsContact CG-NE 3.34Å; D307-R311 WeakPolarHBondContact O-CG 3.33Å; D307-R311 PolarHBondContact O-N 3.42Å; D307-R311 IonicContact OD1-NE 3.11Å; D307-R311 PolarHBondContact OD1-NE 3.3Å; D307-R311 IonicContact OD1-NH2 3.6Å; D307-R311 IonicContact OD2-CZ 2.75Å; D307-R311 IonicContact OD2-NE 3.83Å; D307-R311 PolarHBondContact OD2-NE 3.4Å; D307-R311 IonicContact OD2-NH2 2.71Å; D307-R311 PolarHBondContact OD2-NH2 3.01Å
308A91.4Very high89.5Confident1 Ų139.6 Ų39.61%0.00820%0.202CC..Hα-helixtrans-57.3-39.9175.500000113.4L290 M293 V294 A304 S306 R312L290-A308 HydrophobicContact CD1-CB 3.79Å; M293-A308 HydrophobicContact CE-CB 4.24Å; V294-A308 HydrophobicContact CG2-CB 3.9Å; A304-A308 VanDerWaalsContact O-CB 3.27Å; A304-A308 WeakPolarHBondContact O-CB 3.39Å; A304-A308 PolarHBondContact O-N 3.21Å; S306-A308 PolarHBondContact O-N 3.37Å; A308-R312 WeakPolarHBondContact O-CG 3.18Å; A308-R312 PolarHBondContact O-N 3.01Å
309F92.6Very high89.7Confident1 Ų144 Ų440%0.00421%0.213CC..Hα-helixtrans-73.8-36.6176-72-78.1000112.4I209 F212 L216 M293 L305 S306 D307 R312 G313 Y314 A317 V321I209-F309 HydrophobicContact CG1-CE2 4.45Å; I209-F309 HydrophobicContact CG2-CE2 4.44Å; F212-F309 AromaticContact CD1-CD1 3.9Å; F212-F309 HydrophobicContact CD1-CD1 3.9Å; F212-F309 AromaticContact CD1-CE1 3.46Å; F212-F309 HydrophobicContact CD1-CE1 3.46Å; F212-F309 VanDerWaalsContact CD1-CE1 3.46Å; F212-F309 HydrophobicContact CD1-CZ 4.46Å; F212-F309 HydrophobicContact CE1-CD1 4.07Å; F212-F309 HydrophobicContact CE1-CE1 4.07Å; F212-F309 HydrophobicContact CG-CE1 4.39Å; L216-F309 HydrophobicContact CD2-CD1 4.15Å; L216-F309 HydrophobicContact CD2-CE1 4.29Å; M293-F309 HydrophobicContact CE-CD1 3.58Å; M293-F309 HydrophobicContact CE-CD2 4.2Å; M293-F309 HydrophobicContact CE-CE1 3.41Å; M293-F309 VanDerWaalsContact CE-CE1 3.41Å; M293-F309 HydrophobicContact CE-CE2 4.05Å; M293-F309 HydrophobicContact CE-CG 3.97Å; M293-F309 HydrophobicContact CE-CZ 3.67Å; M293-F309 HydrophobicContact SD-CE1 4.16Å; M293-F309 HydrophobicContact SD-CE2 4.44Å; M293-F309 HydrophobicContact SD-CZ 3.95Å; L305-F309 WeakPolarHBondContact O-CD2 3.32Å; S306-F309 PolarHBondContact O-N 3.39Å; S306-F309 VanDerWaalsContact O-N 3.11Å; D307-F309 VanDerWaalsContact C-N 3.3Å; D307-F309 PolarHBondContact O-N 2.96Å; F309-R312 PolarHBondContact O-N 2.92Å; F309-G313 PolarHBondContact O-N 3.33Å; F309-Y314 CarbonylContact O-C 3.56Å; F309-Y314 PolarHBondContact O-N 3.28Å; F309-A317 HydrophobicContact CB-CB 4.25Å; F309-A317 HydrophobicContact CD1-CB 3.93Å; F309-A317 HydrophobicContact CG-CB 4.16Å; F309-V321 HydrophobicContact CD2-CG2 3.82Å; F309-V321 HydrophobicContact CE2-CG2 3.74Å
310F89.8Confident90Very high67 Ų6747.2 Ų47.229%0.29423%0.229SC..Hα-helixtrans-60.8-45174.9-74.7-68.2000111.6S306 D307 R312 G313 S315 Y319S306-F310 WeakPolarHBondContact O-CD2 3.15Å; S306-F310 PolarHBondContact O-N 2.89Å; D307-F310 PolarHBondContact O-N 3.19Å; D307-F310 VanDerWaalsContact O-N 3.13Å; F310-R312 VanDerWaalsContact C-N 3.31Å; F310-R312 PolarHBondContact O-N 3.45Å; F310-G313 PolarHBondContact O-N 3.15Å; F310-S315 WeakPolarHBondContact CE1-O 3.45Å; F310-Y319 HydrophobicContact CE1-CD2 4.45Å; F310-Y319 HydrophobicContact CE1-CE2 4.1Å; F310-Y319 HydrophobicContact CZ-CD1 4.42Å; F310-Y319 HydrophobicContact CZ-CD2 4.41Å; F310-Y319 HydrophobicContact CZ-CE1 4.3Å; F310-Y319 HydrophobicContact CZ-CE2 4.29Å; F310-Y319 HydrophobicContact CZ-CG 4.46Å
311R88.4Confident90.4Very high120 Ų12045.7 Ų45.745%0.45322%0.221SC..Hα-helixtrans-67-29.3179.8-69.7-178.3-171.6-153.110.5114.2S298 D307 G313S298-R311 VanDerWaalsContact CB-NH1 3.27Å; S298-R311 PolarHBondContact O-NH1 3.46Å; S298-R311 PolarHBondContact O-NH2 3.4Å; S298-R311 PolarHBondContact OG-NH1 3.01Å; D307-R311 VanDerWaalsContact CG-NE 3.34Å; D307-R311 WeakPolarHBondContact O-CG 3.33Å; D307-R311 PolarHBondContact O-N 3.42Å; D307-R311 IonicContact OD1-NE 3.11Å; D307-R311 PolarHBondContact OD1-NE 3.3Å; D307-R311 IonicContact OD1-NH2 3.6Å; D307-R311 IonicContact OD2-CZ 2.75Å; D307-R311 IonicContact OD2-NE 3.83Å; D307-R311 PolarHBondContact OD2-NE 3.4Å; D307-R311 IonicContact OD2-NH2 2.71Å; D307-R311 PolarHBondContact OD2-NH2 3.01Å; R311-G313 PolarHBondContact O-N 2.98Å
312R90.2Very high90.8Very high94 Ų9444.4 Ų44.436%0.35521%0.213SC..THydrogen-bonded Turntrans-80.11173.6-65.7-70.2-75.3-172.7-11.5113L216 D218 V294 A308 F309 F310 Y314L216-R312 HydrophobicContact CD2-CB 3.91Å; L216-R312 HydrophobicContact CD2-CG 4.33Å; L216-R312 PolarHBondContact O-NH2 3.48Å; D218-R312 IonicContact OD1-NH2 3.5Å; D218-R312 IonicContact OD2-CZ 2.75Å; D218-R312 IonicContact OD2-NH1 3.55Å; D218-R312 PolarHBondContact OD2-NH1 3.2Å; D218-R312 IonicContact OD2-NH2 3.95Å; D218-R312 PolarHBondContact OD2-NH2 2.9Å; V294-R312 HydrophobicContact CG2-CG 4.37Å; A308-R312 WeakPolarHBondContact O-CG 3.18Å; A308-R312 PolarHBondContact O-N 3.01Å; F309-R312 PolarHBondContact O-N 2.92Å; F310-R312 VanDerWaalsContact C-N 3.31Å; F310-R312 PolarHBondContact O-N 3.45Å; R312-Y314 HydrophobicContact CB-CD2 4.09Å; R312-Y314 WeakPolarHBondContact O-CD2 3.45Å; R312-Y314 WeakPolarHBondContact O-CE2 3.43Å
313G89.5Confident91.1Very high64 Ų6445.7 Ų45.766%0.6622%0.222SC*.THydrogen-bonded Turntrans89.96.717700000115F309 F310 R311F309-G313 PolarHBondContact O-N 3.33Å; F310-G313 PolarHBondContact O-N 3.15Å; R311-G313 PolarHBondContact O-N 2.98Å
314Y91.9Very high91.3Very high95 Ų9545.4 Ų45.437%0.37322%0.221SC..  trans-106.569.5-177.2-62.6-84.4000111.6F212 L216 F309 R312 W316 A317 G318F212-Y314 HydrophobicContact CE1-CD1 4.19Å; F212-Y314 HydrophobicContact CE1-CG 4.06Å; F212-Y314 AromaticContact CZ-CD1 3.79Å; F212-Y314 HydrophobicContact CZ-CD1 3.79Å; F212-Y314 HydrophobicContact CZ-CD2 4.49Å; F212-Y314 AromaticContact CZ-CE1 3.95Å; F212-Y314 HydrophobicContact CZ-CE1 3.95Å; F212-Y314 HydrophobicContact CZ-CG 4.07Å; L216-Y314 HydrophobicContact CD1-CE2 4.22Å; L216-Y314 HydrophobicContact CD2-CD2 3.53Å; L216-Y314 HydrophobicContact CD2-CE2 3.68Å; L216-Y314 HydrophobicContact CD2-CG 4.44Å; L216-Y314 HydrophobicContact CG-CD2 4.41Å; L216-Y314 HydrophobicContact CG-CE2 4.07Å; F309-Y314 CarbonylContact O-C 3.56Å; F309-Y314 PolarHBondContact O-N 3.28Å; R312-Y314 HydrophobicContact CB-CD2 4.09Å; R312-Y314 WeakPolarHBondContact O-CD2 3.45Å; R312-Y314 WeakPolarHBondContact O-CE2 3.43Å; Y314-W316 VanDerWaalsContact C-N 3.34Å; Y314-W316 AromaticContact CD1-NE1 3.88Å; Y314-W316 PolarHBondContact O-N 3.49Å; Y314-A317 WeakPolarHBondContact O-CB 3.46Å; Y314-A317 PolarHBondContact O-N 3.4Å; Y314-A317 VanDerWaalsContact O-N 3.15Å; Y314-G318 PolarHBondContact O-N 3.39Å
315S89.6Confident91.4Very high61 Ų6145.4 Ų45.443%0.42722%0.221SC..Hα-helixtrans-59.7-39.1-177.754.40000113.9F310 A317 G318 Y319F310-S315 WeakPolarHBondContact CE1-O 3.45Å; S315-A317 VanDerWaalsContact C-N 3.28Å; S315-A317 PolarHBondContact O-N 2.92Å; S315-G318 PolarHBondContact O-N 3.12Å; S315-G318 VanDerWaalsContact O-N 3.16Å; S315-Y319 WeakPolarHBondContact O-CD2 3.36Å; S315-Y319 PolarHBondContact O-N 3.43Å; S315-Y319 VanDerWaalsContact O-N 3.16Å
316W92.5Very high91.4Very high130 Ų13047 Ų4749%0.49223%0.229SC..Hα-helixtrans-60.3-37.117769.3-93.9000112.4F208 F212 Y314 Y319 I320F208-W316 HydrophobicContact CE2-CH2 4.07Å; F208-W316 HydrophobicContact CE2-CZ3 4.03Å; F208-W316 AromaticContact CZ-CH2 3.96Å; F208-W316 HydrophobicContact CZ-CH2 3.96Å; F208-W316 AromaticContact CZ-CZ3 3.78Å; F208-W316 HydrophobicContact CZ-CZ3 3.78Å; F212-W316 HydrophobicContact CE1-CZ2 4.22Å; F212-W316 HydrophobicContact CZ-CZ2 4.07Å; Y314-W316 VanDerWaalsContact C-N 3.34Å; Y314-W316 AromaticContact CD1-NE1 3.88Å; Y314-W316 PolarHBondContact O-N 3.49Å; W316-Y319 PolarHBondContact O-N 3.48Å; W316-I320 HydrophobicContact CE3-CD1 3.6Å; W316-I320 HydrophobicContact CZ3-CD1 3.56Å; W316-I320 PolarHBondContact O-N 3.31Å
317A92.9Very high91.4Very high0 Ų047.7 Ų47.70%023%0.234CC..Hα-helixtrans-70.5-38.9177.300000110.7F208 F212 F309 Y314 S315 Y319 I320 V321F208-A317 HydrophobicContact CE1-CB 4.14Å; F208-A317 HydrophobicContact CZ-CB 3.89Å; F212-A317 HydrophobicContact CD1-CB 4.09Å; F212-A317 HydrophobicContact CE1-CB 3.86Å; F309-A317 HydrophobicContact CB-CB 4.25Å; F309-A317 HydrophobicContact CD1-CB 3.93Å; F309-A317 HydrophobicContact CG-CB 4.16Å; Y314-A317 WeakPolarHBondContact O-CB 3.46Å; Y314-A317 PolarHBondContact O-N 3.4Å; Y314-A317 VanDerWaalsContact O-N 3.15Å; S315-A317 VanDerWaalsContact C-N 3.28Å; S315-A317 PolarHBondContact O-N 2.92Å; A317-Y319 VanDerWaalsContact C-N 3.3Å; A317-Y319 PolarHBondContact O-N 2.95Å; A317-I320 PolarHBondContact O-N 3Å; A317-I320 VanDerWaalsContact O-N 3.15Å; A317-V321 WeakPolarHBondContact O-CG2 3.37Å; A317-V321 PolarHBondContact O-N 3.32Å
318G91Very high91.5Very high0 Ų046.4 Ų46.40%023%0.227CC..Hα-helixtrans-55.1-42.4172.900000113Y314 S315 V321 A322Y314-G318 PolarHBondContact O-N 3.39Å; S315-G318 PolarHBondContact O-N 3.12Å; S315-G318 VanDerWaalsContact O-N 3.16Å; G318-V321 PolarHBondContact O-N 3.42Å; G318-A322 WeakPolarHBondContact O-CB 3.29Å; G318-A322 PolarHBondContact O-N 3.02Å
319Y91.6Very high91.5Very high137 Ų13746.4 Ų46.454%0.53723%0.227SC..Hα-helixtrans-65.4-38.7175.9-70.3-66000113.5M144 F310 S315 W316 A317 V321 A322 V323M144-Y319 HydrophobicContact CE-CD1 3.88Å; M144-Y319 HydrophobicContact CE-CE1 4.16Å; F310-Y319 HydrophobicContact CE1-CD2 4.45Å; F310-Y319 HydrophobicContact CE1-CE2 4.1Å; F310-Y319 HydrophobicContact CZ-CD1 4.42Å; F310-Y319 HydrophobicContact CZ-CD2 4.41Å; F310-Y319 HydrophobicContact CZ-CE1 4.3Å; F310-Y319 HydrophobicContact CZ-CE2 4.29Å; F310-Y319 HydrophobicContact CZ-CG 4.46Å; S315-Y319 WeakPolarHBondContact O-CD2 3.36Å; S315-Y319 PolarHBondContact O-N 3.43Å; S315-Y319 VanDerWaalsContact O-N 3.16Å; W316-Y319 PolarHBondContact O-N 3.48Å; A317-Y319 VanDerWaalsContact C-N 3.3Å; A317-Y319 PolarHBondContact O-N 2.95Å; Y319-V321 VanDerWaalsContact C-N 3.34Å; Y319-A322 PolarHBondContact O-N 3.46Å; Y319-V323 WeakPolarHBondContact O-CG2 3.37Å; Y319-V323 PolarHBondContact O-N 3.39Å
320I93.8Very high91.4Very high67 Ų6747.8 Ų47.834%0.34423%0.234SC..Hα-helixtrans-62.9-45.2176.2-66.1171.4000110.3V205 F208 W316 A317 A322 V323 G324V205-I320 HydrophobicContact CG1-CG2 4.49Å; V205-I320 HydrophobicContact CG2-CG2 4.28Å; F208-I320 HydrophobicContact CD1-CG2 3.97Å; F208-I320 HydrophobicContact CE1-CB 4.25Å; F208-I320 HydrophobicContact CE1-CG2 4.05Å; F208-I320 HydrophobicContact CZ-CD1 4.21Å; W316-I320 HydrophobicContact CE3-CD1 3.6Å; W316-I320 HydrophobicContact CZ3-CD1 3.56Å; W316-I320 PolarHBondContact O-N 3.31Å; A317-I320 PolarHBondContact O-N 3Å; A317-I320 VanDerWaalsContact O-N 3.15Å; I320-A322 VanDerWaalsContact C-N 3.29Å; I320-A322 PolarHBondContact O-N 3.49Å; I320-V323 PolarHBondContact O-N 3.05Å; I320-G324 PolarHBondContact O-N 3.39Å
321V93.6Very high91.4Very high0 Ų044.6 Ų44.60%022%0.22CC..Hα-helixtrans-60.8-41.1177.6173.40000111.2Y56 F208 I209 L305 F309 A317 G318 Y319 G324 S325Y56-V321 HydrophobicContact CE1-CG1 4.32Å; F208-V321 HydrophobicContact CD1-CG2 4.4Å; F208-V321 HydrophobicContact CE1-CG2 4.25Å; I209-V321 HydrophobicContact CD1-CB 4.49Å; I209-V321 HydrophobicContact CD1-CG1 3.89Å; I209-V321 HydrophobicContact CD1-CG2 4.05Å; I209-V321 HydrophobicContact CG1-CG1 4.31Å; I209-V321 HydrophobicContact CG1-CG2 3.58Å; L305-V321 HydrophobicContact CB-CG1 3.93Å; F309-V321 HydrophobicContact CD2-CG2 3.82Å; F309-V321 HydrophobicContact CE2-CG2 3.74Å; A317-V321 WeakPolarHBondContact O-CG2 3.37Å; A317-V321 PolarHBondContact O-N 3.32Å; G318-V321 PolarHBondContact O-N 3.42Å; Y319-V321 VanDerWaalsContact C-N 3.34Å; V321-G324 PolarHBondContact O-N 3.29Å; V321-S325 PolarHBondContact O-N 3.14Å
322A91.8Very high91.5Very high1 Ų139.4 Ų39.41%0.00820%0.202CC..Hα-helixtrans-65.6-41.6176.800000114.1Y140 M144 G318 Y319 I320 G324 S325 I326Y140-A322 HydrophobicContact CE1-CB 3.72Å; Y140-A322 WeakPolarHBondContact OH-CA 3.49Å; M144-A322 HydrophobicContact CE-CB 3.35Å; M144-A322 HydrophobicContact SD-CB 3.34Å; M144-A322 WeakPolarHBondContact SD-CB 3.23Å; G318-A322 WeakPolarHBondContact O-CB 3.29Å; G318-A322 PolarHBondContact O-N 3.02Å; Y319-A322 PolarHBondContact O-N 3.46Å; I320-A322 VanDerWaalsContact C-N 3.29Å; I320-A322 PolarHBondContact O-N 3.49Å; A322-G324 VanDerWaalsContact C-N 3.28Å; A322-G324 PolarHBondContact O-N 3.45Å; A322-S325 PolarHBondContact O-N 3.15Å; A322-S325 PolarHBondContact O-OG 3.34Å; A322-I326 WeakPolarHBondContact O-CG1 3.36Å; A322-I326 PolarHBondContact O-N 2.84Å; A322-I326 VanDerWaalsContact O-N 3.09Å
323V90.7Very high91.6Very high84 Ų8435 Ų3551%0.50919%0.185SC..Hα-helixtrans-62.6-41.2174172.30000110.1Y319 I320 I326 C327Y319-V323 WeakPolarHBondContact O-CG2 3.37Å; Y319-V323 PolarHBondContact O-N 3.39Å; I320-V323 PolarHBondContact O-N 3.05Å; V323-I326 PolarHBondContact O-N 2.97Å; V323-C327 WeakPolarHBondContact O-CB 3.36Å; V323-C327 PolarHBondContact O-N 3.33Å; V323-C327 PolarHBondContact O-SG 2.91Å; V323-C327 VanDerWaalsContact O-SG 3.35Å
324G92.5Very high91.5Very high0 Ų032.6 Ų32.60%016%0.157CC..Hα-helixtrans-61.4-42.2175.200000113.6I320 V321 A322 C327 A328I320-G324 PolarHBondContact O-N 3.39Å; V321-G324 PolarHBondContact O-N 3.29Å; A322-G324 VanDerWaalsContact C-N 3.28Å; A322-G324 PolarHBondContact O-N 3.45Å; G324-C327 PolarHBondContact O-N 2.92Å; G324-A328 WeakPolarHBondContact O-CB 3.32Å; G324-A328 PolarHBondContact O-N 3.32Å
325S92.1Very high91.2Very high0 Ų028.3 Ų28.30%014%0.141CC..Hα-helixtrans-64.1-44.4178.375.40000111.8Y56 Y140 V321 A322 C327 A328 M329Y56-S325 VanDerWaalsContact CG-CB 3.5Å; Y140-S325 WeakPolarHBondContact CD1-OG 3.41Å; Y140-S325 WeakPolarHBondContact CE1-OG 3.47Å; V321-S325 PolarHBondContact O-N 3.14Å; A322-S325 PolarHBondContact O-N 3.15Å; A322-S325 PolarHBondContact O-OG 3.34Å; S325-C327 PolarHBondContact O-N 2.98Å; S325-A328 PolarHBondContact O-N 3.19Å; S325-M329 WeakPolarHBondContact O-CB 3.38Å; S325-M329 VanDerWaalsContact O-CG 3.26Å; S325-M329 WeakPolarHBondContact O-CG 3.11Å; S325-M329 PolarHBondContact O-N 2.73Å
326I91.9Very high91.2Very high36 Ų3626.2 Ų26.219%0.18513%0.125CC..Hα-helixtrans-60.9-45176.6-71.8172.3000110.4L141 A322 V323 N330L141-I326 HydrophobicContact CD1-CD1 3.88Å; A322-I326 WeakPolarHBondContact O-CG1 3.36Å; A322-I326 PolarHBondContact O-N 2.84Å; A322-I326 VanDerWaalsContact O-N 3.09Å; V323-I326 PolarHBondContact O-N 2.97Å; I326-N330 WeakPolarHBondContact O-CB 3.27Å; I326-N330 PolarHBondContact O-N 3.32Å; I326-N330 PolarHBondContact O-ND2 3.08Å
327C91.3Very high90.9Very high16 Ų1620 Ų2011%0.10810%0.102CC..Hα-helixtrans-62.5-44.8174.9-72.80000112.1F198 V201 V323 G324 S325 N330 T331F198-C327 HydrophobicContact CB-CB 4.31Å; F198-C327 HydrophobicContact CD1-CB 4.33Å; V201-C327 HydrophobicContact CG1-CB 4.3Å; V323-C327 WeakPolarHBondContact O-CB 3.36Å; V323-C327 PolarHBondContact O-N 3.33Å; V323-C327 PolarHBondContact O-SG 2.91Å; V323-C327 VanDerWaalsContact O-SG 3.35Å; G324-C327 PolarHBondContact O-N 2.92Å; S325-C327 PolarHBondContact O-N 2.98Å; C327-N330 PolarHBondContact O-N 3.08Å; C327-T331 PolarHBondContact O-N 3.39Å; C327-T331 PolarHBondContact O-OG1 3.09Å
328A92.1Very high90.4Very high1 Ų121.2 Ų21.21%0.00811%0.107CC..Hα-helixtrans-61.3-48.9178.500000111.7Y56 S202 G324 S325 N330 T331 V332Y56-A328 HydrophobicContact CD2-CB 4.01Å; Y56-A328 HydrophobicContact CE2-CB 3.54Å; S202-A328 VanDerWaalsContact OG-CB 3.26Å; S202-A328 WeakPolarHBondContact OG-CB 3.48Å; G324-A328 WeakPolarHBondContact O-CB 3.32Å; G324-A328 PolarHBondContact O-N 3.32Å; S325-A328 PolarHBondContact O-N 3.19Å; A328-N330 PolarHBondContact O-N 3.14Å; A328-T331 VanDerWaalsContact O-CB 3.27Å; A328-T331 WeakPolarHBondContact O-CB 3.23Å; A328-T331 PolarHBondContact O-N 2.95Å; A328-T331 VanDerWaalsContact O-N 3.14Å; A328-V332 PolarHBondContact O-N 3.49Å
329M92Very high90.1Very high1 Ų121.6 Ų21.61%0.00511%0.11CC..Hα-helixtrans-63.8-40.1178.8-68.4174.8-171.700112.1V57 V133 A136 W137 Y140 S325 T331 V332 L333V57-M329 HydrophobicContact CG2-CE 3.47Å; V57-M329 VanDerWaalsContact CG2-CE 3.47Å; V133-M329 HydrophobicContact CG1-CB 3.92Å; V133-M329 HydrophobicContact CG1-CG 4.47Å; V133-M329 WeakPolarHBondContact CG1-O 3.3Å; A136-M329 HydrophobicContact CB-CE 4.21Å; A136-M329 HydrophobicContact CB-SD 4.29Å; W137-M329 WeakPolarHBondContact CA-SD 3.49Å; W137-M329 HydrophobicContact CB-CB 4.45Å; W137-M329 HydrophobicContact CB-SD 3.96Å; Y140-M329 HydrophobicContact CD2-CE 4.25Å; Y140-M329 HydrophobicContact CG-CE 4.42Å; S325-M329 WeakPolarHBondContact O-CB 3.38Å; S325-M329 VanDerWaalsContact O-CG 3.26Å; S325-M329 WeakPolarHBondContact O-CG 3.11Å; S325-M329 PolarHBondContact O-N 2.73Å; M329-T331 VanDerWaalsContact C-N 3.27Å; M329-T331 PolarHBondContact O-N 3.3Å; M329-V332 PolarHBondContact O-N 3.32Å; M329-L333 WeakPolarHBondContact O-CB 3.43Å; M329-L333 PolarHBondContact O-N 3.21Å
330N90.9Very high90Very high29 Ų2915.1 Ų15.116%0.1558%0.084CC..Hα-helixtrans-61.7-35.7173.9-81-23.5000112.5F198 I326 C327 A328 L333 L334F198-N330 HydrophobicContact CD2-CB 4.12Å; F198-N330 HydrophobicContact CE2-CB 4.25Å; I326-N330 WeakPolarHBondContact O-CB 3.27Å; I326-N330 PolarHBondContact O-N 3.32Å; I326-N330 PolarHBondContact O-ND2 3.08Å; C327-N330 PolarHBondContact O-N 3.08Å; A328-N330 PolarHBondContact O-N 3.14Å; N330-L333 PolarHBondContact O-N 2.76Å; N330-L334 WeakPolarHBondContact O-CB 2.95Å; N330-L334 VanDerWaalsContact O-CG 3.27Å; N330-L334 WeakPolarHBondContact O-CG 3.32Å; N330-L334 PolarHBondContact O-N 2.65Å
331T89.6Confident89.6Confident1 Ų112.1 Ų12.11%0.0067%0.069CC..Hα-helixtrans-61.3-49.8176.4-53.20000110.6N195 F198 S199 C327 A328 M329 S335N195-T331 VanDerWaalsContact OD1-CA 3.32Å; N195-T331 WeakPolarHBondContact OD1-CA 3.47Å; N195-T331 WeakPolarHBondContact OD1-CG2 3.41Å; N195-T331 PolarHBondContact OD1-O 2.79Å; N195-T331 VanDerWaalsContact OD1-O 3.14Å; F198-T331 WeakPolarHBondContact CB-OG1 3.27Å; S199-T331 PolarHBondContact N-OG1 3.34Å; C327-T331 PolarHBondContact O-N 3.39Å; C327-T331 PolarHBondContact O-OG1 3.09Å; A328-T331 VanDerWaalsContact O-CB 3.27Å; A328-T331 WeakPolarHBondContact O-CB 3.23Å; A328-T331 PolarHBondContact O-N 2.95Å; A328-T331 VanDerWaalsContact O-N 3.14Å; M329-T331 VanDerWaalsContact C-N 3.27Å; M329-T331 PolarHBondContact O-N 3.3Å; T331-S335 WeakPolarHBondContact O-CB 3.48Å; T331-S335 PolarHBondContact O-N 3.45Å
332V90.3Very high89.1Confident10 Ų1014.5 Ų14.56%0.0618%0.078CC..Hα-helixtrans-65.9-41.4178.5-175.60000111.5G48 V133 A328 M329 L334 S335 N336G48-V332 WeakPolarHBondContact O-CG2 3.34Å; V133-V332 HydrophobicContact CG1-CB 4.3Å; V133-V332 HydrophobicContact CG2-CB 4.19Å; V133-V332 HydrophobicContact CG2-CG1 3.71Å; A328-V332 PolarHBondContact O-N 3.49Å; M329-V332 PolarHBondContact O-N 3.32Å; V332-L334 PolarHBondContact O-N 3.5Å; V332-S335 WeakPolarHBondContact O-CB 3.27Å; V332-S335 PolarHBondContact O-N 2.85Å; V332-N336 PolarHBondContact O-N 2.89Å
333L91.4Very high88.8Confident2 Ų214.6 Ų14.61%0.018%0.078CC..Hα-helixtrans-58.5-49.1178.8-176.764.1000111.7G130 V133 A134 I176 L177 A180 M329 N330 N336 L337G130-L333 WeakPolarHBondContact O-CD1 3.49Å; V133-L333 HydrophobicContact CG1-CB 4.11Å; A134-L333 HydrophobicContact CB-CD1 4.33Å; I176-L333 HydrophobicContact CG1-CD2 4.37Å; L177-L333 HydrophobicContact CD2-CD1 3.59Å; L177-L333 HydrophobicContact CG-CD1 4.12Å; A180-L333 HydrophobicContact CB-CD2 4.07Å; A180-L333 HydrophobicContact CB-CG 4.46Å; M329-L333 WeakPolarHBondContact O-CB 3.43Å; M329-L333 PolarHBondContact O-N 3.21Å; N330-L333 PolarHBondContact O-N 2.76Å; L333-N336 PolarHBondContact O-N 3.47Å; L333-L337 HydrophobicContact CD1-CD1 4.44Å; L333-L337 HydrophobicContact CG-CD1 4.24Å; L333-L337 PolarHBondContact O-N 3.25Å; L333-L337 VanDerWaalsContact O-N 3.12Å
334L88.1Confident88.8Confident13 Ų1310.7 Ų10.77%0.0685%0.054CC..Hα-helixtrans-63.5-43176.5-68.3175.5000110.8A180 F183 I184 F198 N330 V332 N336 L337 F338A180-L334 HydrophobicContact CB-CD2 4.37Å; F183-L334 HydrophobicContact CD1-CD2 4.29Å; I184-L334 HydrophobicContact CD1-CD2 3.71Å; I184-L334 HydrophobicContact CG1-CD2 3.91Å; F198-L334 HydrophobicContact CD2-CD1 4.49Å; F198-L334 HydrophobicContact CE2-CD1 4.48Å; N330-L334 WeakPolarHBondContact O-CB 2.95Å; N330-L334 VanDerWaalsContact O-CG 3.27Å; N330-L334 WeakPolarHBondContact O-CG 3.32Å; N330-L334 PolarHBondContact O-N 2.65Å; V332-L334 PolarHBondContact O-N 3.5Å; L334-N336 VanDerWaalsContact C-N 3.34Å; L334-N336 PolarHBondContact O-N 3.43Å; L334-L337 PolarHBondContact O-N 3.37Å; L334-F338 HydrophobicContact CB-CE2 4.33Å; L334-F338 WeakPolarHBondContact O-CD2 3.33Å; L334-F338 PolarHBondContact O-N 3.23Å
335S85.7Confident88.5Confident5 Ų513.8 Ų13.84%0.0357%0.067CC..Hα-helixtrans-57-44.1177.6-170.60000112.8T331 V332 F338 S339T331-S335 WeakPolarHBondContact O-CB 3.48Å; T331-S335 PolarHBondContact O-N 3.45Å; V332-S335 WeakPolarHBondContact O-CB 3.27Å; V332-S335 PolarHBondContact O-N 2.85Å; S335-F338 PolarHBondContact O-N 3.24Å; S335-S339 WeakPolarHBondContact O-CB 3.23Å; S335-S339 PolarHBondContact O-N 3.45Å; S335-S339 PolarHBondContact O-OG 3.18Å
336N88.9Confident88.1Confident17 Ų1714.1 Ų14.19%0.0917%0.069CC..Hα-helixtrans-66.7-43.4177.8-73.6-19.6000112Y126 G129 G130 V332 L333 L334 F338 S339 L340Y126-N336 HydrophobicContact CD1-CB 4.37Å; Y126-N336 WeakPolarHBondContact CD1-OD1 3.37Å; G129-N336 VanDerWaalsContact C-ND2 3.27Å; G130-N336 PolarHBondContact N-ND2 3.05Å; V332-N336 PolarHBondContact O-N 2.89Å; L333-N336 PolarHBondContact O-N 3.47Å; L334-N336 VanDerWaalsContact C-N 3.34Å; L334-N336 PolarHBondContact O-N 3.43Å; N336-F338 PolarHBondContact O-N 3.48Å; N336-S339 PolarHBondContact O-N 3.26Å; N336-L340 WeakPolarHBondContact O-CB 3.48Å; N336-L340 PolarHBondContact O-N 3.3Å
337L87.8Confident87.9Confident1 Ų112.5 Ų12.51%0.0056%0.061CC..Hα-helixtrans-66.2-23.6175.9-77.9162.1000113.2L177 A180 I184 L333 L334 P341 M378L177-L337 HydrophobicContact CD2-CD1 4.37Å; A180-L337 HydrophobicContact CB-CD1 3.58Å; I184-L337 HydrophobicContact CD1-CB 3.18Å; I184-L337 HydrophobicContact CD1-CD1 3.82Å; I184-L337 HydrophobicContact CD1-CG 4.09Å; L333-L337 HydrophobicContact CD1-CD1 4.44Å; L333-L337 HydrophobicContact CG-CD1 4.24Å; L333-L337 PolarHBondContact O-N 3.25Å; L333-L337 VanDerWaalsContact O-N 3.12Å; L334-L337 PolarHBondContact O-N 3.37Å; L337-P341 WeakPolarHBondContact O-CD 3.44Å; L337-P341 VanDerWaalsContact O-CG 3.26Å; L337-P341 WeakPolarHBondContact O-CG 3.18Å; L337-M378 HydrophobicContact CD2-CE 3.4Å; L337-M378 VanDerWaalsContact CD2-CE 3.4Å; L337-M378 HydrophobicContact CD2-SD 4.18Å; L337-M378 HydrophobicContact CG-CE 4.22Å
338F82Confident87.8Confident25 Ų2512 Ų1211%0.116%0.058CC..Hα-helixtrans-80.1-41.3171.1-82.4-60.8000113.6I184 V188 S191 L334 S335 N336 R342I184-F338 HydrophobicContact CB-CE1 4.43Å; I184-F338 HydrophobicContact CB-CZ 4.17Å; I184-F338 HydrophobicContact CD1-CD2 4.32Å; I184-F338 HydrophobicContact CD1-CE2 3.92Å; I184-F338 HydrophobicContact CD1-CZ 4.05Å; I184-F338 HydrophobicContact CG1-CE1 4.28Å; I184-F338 HydrophobicContact CG1-CE2 3.9Å; I184-F338 HydrophobicContact CG1-CZ 3.61Å; I184-F338 HydrophobicContact CG2-CD1 4.12Å; I184-F338 HydrophobicContact CG2-CE1 3.54Å; I184-F338 HydrophobicContact CG2-CZ 3.77Å; V188-F338 HydrophobicContact CG1-CE1 4.38Å; V188-F338 HydrophobicContact CG2-CE1 4.39Å; S191-F338 WeakPolarHBondContact OG-CE2 3.26Å; S191-F338 WeakPolarHBondContact OG-CZ 3.3Å; L334-F338 HydrophobicContact CB-CE2 4.33Å; L334-F338 WeakPolarHBondContact O-CD2 3.33Å; L334-F338 PolarHBondContact O-N 3.23Å; S335-F338 PolarHBondContact O-N 3.24Å; N336-F338 PolarHBondContact O-N 3.48Å; F338-R342 WeakPolarHBondContact O-CD 3.43Å; F338-R342 WeakPolarHBondContact O-CG 3.45Å
339S84.4Confident87.5Confident8 Ų816 Ų166%0.0568%0.077CC..Hα-helixtrans-75.8-41.6-172.3-59.30000111.6Y126 S335 N336 R342 I343Y126-S339 VanDerWaalsContact CE1-CB 3.48Å; S335-S339 WeakPolarHBondContact O-CB 3.23Å; S335-S339 PolarHBondContact O-N 3.45Å; S335-S339 PolarHBondContact O-OG 3.18Å; N336-S339 PolarHBondContact O-N 3.26Å; S339-R342 WeakPolarHBondContact O-CB 3.31Å; S339-R342 PolarHBondContact O-N 3.05Å; S339-I343 PolarHBondContact O-N 2.77Å
340L88.5Confident87.1Confident0 Ų016.6 Ų16.60%08%0.08CC..Hα-helixtrans-58.4-51.6-176176.565.9000114V123 M127 N336 R342 I343 V344 F374 M378V123-L340 HydrophobicContact CB-CD1 4.12Å; V123-L340 HydrophobicContact CG1-CD1 3.94Å; V123-L340 HydrophobicContact CG2-CD1 4.25Å; V123-L340 VanDerWaalsContact O-CD1 3.24Å; V123-L340 WeakPolarHBondContact O-CD1 3.44Å; M127-L340 HydrophobicContact CB-CD2 4.16Å; N336-L340 WeakPolarHBondContact O-CB 3.48Å; N336-L340 PolarHBondContact O-N 3.3Å; L340-R342 PolarHBondContact O-N 3.06Å; L340-I343 PolarHBondContact O-N 3.43Å; L340-V344 HydrophobicContact CD1-CG2 4.31Å; L340-V344 WeakPolarHBondContact O-CG2 3.48Å; L340-V344 PolarHBondContact O-N 2.66Å; L340-V344 VanDerWaalsContact O-N 3.13Å; L340-F374 HydrophobicContact CD2-CB 3.56Å; L340-F374 HydrophobicContact CD2-CD1 4.03Å; L340-F374 HydrophobicContact CD2-CG 4Å; L340-F374 HydrophobicContact CG-CB 4.31Å; L340-F374 HydrophobicContact CG-CG 4.42Å; L340-M378 HydrophobicContact CD2-CE 3.34Å; L340-M378 HydrophobicContact CD2-SD 4.25Å
341P86.6Confident86.8Confident4 Ų415.6 Ų15.63%0.0268%0.077CC..Hα-helixtrans-62.8-27.2-179.5-22.634.8000113.5L337 Y345 P367 A370 I371L337-P341 WeakPolarHBondContact O-CD 3.44Å; L337-P341 VanDerWaalsContact O-CG 3.26Å; L337-P341 WeakPolarHBondContact O-CG 3.18Å; P341-Y345 WeakPolarHBondContact O-CB 3.39Å; P341-Y345 PolarHBondContact O-N 3.06Å; P341-P367 HydrophobicContact CB-CG 3.84Å; P341-A370 HydrophobicContact CB-CB 3.95Å; P341-I371 HydrophobicContact CB-CG1 3.93Å; P341-I371 HydrophobicContact CG-CB 4.41Å; P341-I371 HydrophobicContact CG-CG1 3.51Å
342R82.8Confident86.7Confident51 Ų5115.6 Ų15.619%0.1928%0.076CC..Hα-helixtrans-70.8-39.4178.2-66.7171.6175.9-153.3-9.6111.8T99 E260 F338 S339 L340 Y345 A346T99-R342 HydrophobicContact CG2-CB 4.42Å; E260-R342 IonicContact OE1-CZ 2.66Å; E260-R342 IonicContact OE1-NH1 2.95Å; E260-R342 PolarHBondContact OE1-NH1 2.93Å; E260-R342 IonicContact OE1-NH2 3.93Å; E260-R342 PolarHBondContact OE1-NH2 3.42Å; F338-R342 WeakPolarHBondContact O-CD 3.43Å; F338-R342 WeakPolarHBondContact O-CG 3.45Å; S339-R342 WeakPolarHBondContact O-CB 3.31Å; S339-R342 PolarHBondContact O-N 3.05Å; L340-R342 PolarHBondContact O-N 3.06Å; R342-Y345 PolarHBondContact O-N 3.14Å; R342-A346 WeakPolarHBondContact O-CB 3.22Å; R342-A346 PolarHBondContact O-N 3.02Å
343I85.5Confident86.6Confident3 Ų315.7 Ų15.72%0.0158%0.076CC..Hα-helixtrans-68.3-45.2177.1-61.8175.8000109.6V122 V123 Y126 S339 L340 Y345 A346 M347V122-I343 HydrophobicContact CG1-CD1 3.47Å; V122-I343 VanDerWaalsContact CG1-CD1 3.47Å; V123-I343 HydrophobicContact CG2-CG2 4.14Å; Y126-I343 HydrophobicContact CD2-CD1 3.68Å; Y126-I343 HydrophobicContact CE2-CD1 3.44Å; Y126-I343 VanDerWaalsContact CE2-CD1 3.44Å; S339-I343 PolarHBondContact O-N 2.77Å; L340-I343 PolarHBondContact O-N 3.43Å; I343-Y345 VanDerWaalsContact C-N 3.3Å; I343-Y345 PolarHBondContact O-N 3.06Å; I343-A346 PolarHBondContact O-N 3.02Å; I343-M347 HydrophobicContact CG2-SD 4.39Å; I343-M347 WeakPolarHBondContact O-CG 3.35Å; I343-M347 PolarHBondContact O-N 2.79Å
344V90.1Very high86.5Confident1 Ų119.6 Ų19.61%0.0069%0.093CC..Hα-helixtrans-60.4-42.6174.5178.20000110.9V123 L340 M347 A348 F353 F357 A370 F374V123-V344 HydrophobicContact CG1-CG2 4.39Å; V123-V344 HydrophobicContact CG2-CG2 3.82Å; L340-V344 HydrophobicContact CD1-CG2 4.31Å; L340-V344 WeakPolarHBondContact O-CG2 3.48Å; L340-V344 PolarHBondContact O-N 2.66Å; L340-V344 VanDerWaalsContact O-N 3.13Å; V344-M347 PolarHBondContact O-N 3.28Å; V344-A348 VanDerWaalsContact O-CB 3.26Å; V344-A348 WeakPolarHBondContact O-CB 3.22Å; V344-A348 PolarHBondContact O-N 3.19Å; V344-F353 HydrophobicContact CG1-CD1 3.72Å; V344-F353 HydrophobicContact CG1-CE1 3.73Å; V344-F357 HydrophobicContact CG1-CB 3.64Å; V344-F357 HydrophobicContact CG1-CD1 4.38Å; V344-F357 HydrophobicContact CG1-CD2 4.32Å; V344-F357 HydrophobicContact CG1-CG 3.87Å; V344-A370 HydrophobicContact CG1-CB 4.48Å; V344-F374 HydrophobicContact CB-CE2 4.3Å; V344-F374 HydrophobicContact CG1-CE2 3.76Å; V344-F374 HydrophobicContact CG1-CZ 4.25Å; V344-F374 HydrophobicContact CG2-CD2 4.19Å; V344-F374 HydrophobicContact CG2-CE1 4.37Å; V344-F374 HydrophobicContact CG2-CE2 3.69Å; V344-F374 HydrophobicContact CG2-CZ 3.78Å
345Y86.6Confident86.4Confident65 Ų6521.6 Ų21.626%0.25511%0.111SC..Hα-helixtrans-59.5-47174.7169.2-89.9000111.4P341 R342 I343 M347 A348 E349 A358 V360P341-Y345 WeakPolarHBondContact O-CB 3.39Å; P341-Y345 PolarHBondContact O-N 3.06Å; R342-Y345 PolarHBondContact O-N 3.14Å; I343-Y345 VanDerWaalsContact C-N 3.3Å; I343-Y345 PolarHBondContact O-N 3.06Å; Y345-M347 PolarHBondContact O-N 2.8Å; Y345-A348 PolarHBondContact O-N 3.37Å; Y345-E349 WeakPolarHBondContact CE1-OE2 3.37Å; Y345-E349 VanDerWaalsContact O-CB 3.31Å; Y345-E349 WeakPolarHBondContact O-CB 3.49Å; Y345-E349 PolarHBondContact O-N 2.85Å; Y345-E349 PolarHBondContact OH-OE2 3.36Å; Y345-A358 WeakPolarHBondContact CE2-O 3.44Å; Y345-V360 HydrophobicContact CD2-CG2 3.83Å; Y345-V360 HydrophobicContact CE2-CG2 3.44Å; Y345-V360 VanDerWaalsContact CE2-CG2 3.44Å
346A83.6Confident86.6Confident7 Ų726.3 Ų26.36%0.05813%0.132CC..Hα-helixtrans-62.2-43178.400000112.2R342 I343 E349 D350R342-A346 WeakPolarHBondContact O-CB 3.22Å; R342-A346 PolarHBondContact O-N 3.02Å; I343-A346 PolarHBondContact O-N 3.02Å; A346-E349 PolarHBondContact O-N 2.85Å; A346-D350 PolarHBondContact O-N 2.96Å
347M88.2Confident86.5Confident2 Ų226.5 Ų26.51%0.0113%0.132CC..Hα-helixtrans-66.4-36.8176.3-67.4-17875.500112.7Y103 F116 V123 I343 V344 Y345 D350 G351 L352 F353Y103-M347 HydrophobicContact CD1-CG 4.25Å; Y103-M347 HydrophobicContact CD2-CE 4.39Å; Y103-M347 HydrophobicContact CD2-CG 4.01Å; Y103-M347 HydrophobicContact CD2-SD 4.45Å; Y103-M347 HydrophobicContact CE1-CG 4.14Å; Y103-M347 HydrophobicContact CE2-CE 4.33Å; Y103-M347 HydrophobicContact CE2-CG 3.94Å; Y103-M347 HydrophobicContact CG-CG 4.2Å; F116-M347 HydrophobicContact CD2-CE 3.56Å; F116-M347 HydrophobicContact CE2-CE 3.84Å; F116-M347 HydrophobicContact CG-CE 4.28Å; V123-M347 HydrophobicContact CG2-SD 4.22Å; I343-M347 HydrophobicContact CG2-SD 4.39Å; I343-M347 WeakPolarHBondContact O-CG 3.35Å; I343-M347 PolarHBondContact O-N 2.79Å; V344-M347 PolarHBondContact O-N 3.28Å; Y345-M347 PolarHBondContact O-N 2.8Å; M347-D350 PolarHBondContact O-N 2.92Å; M347-G351 PolarHBondContact O-N 3.48Å; M347-L352 PolarHBondContact O-N 3.44Å; M347-L352 VanDerWaalsContact O-N 3.1Å; M347-F353 HydrophobicContact CB-CB 3.98Å; M347-F353 PolarHBondContact O-N 2.93Å
348A88.8Confident86.3Confident6 Ų627.9 Ų27.95%0.0514%0.143CC..Hα-helixtrans-73.9-34.1176.400000111.9V344 Y345 D350 G351 F353 F357 A358V344-A348 VanDerWaalsContact O-CB 3.26Å; V344-A348 WeakPolarHBondContact O-CB 3.22Å; V344-A348 PolarHBondContact O-N 3.19Å; Y345-A348 PolarHBondContact O-N 3.37Å; A348-D350 VanDerWaalsContact C-N 3.31Å; A348-G351 PolarHBondContact O-N 3.33Å; A348-G351 VanDerWaalsContact O-N 3.14Å; A348-F353 HydrophobicContact CB-CB 4.31Å; A348-F357 HydrophobicContact CB-CB 4.23Å; A348-A358 HydrophobicContact CB-CB 3.86Å
349E85Confident86.4Confident84 Ų8433.2 Ų33.239%0.39317%0.166SC..Hα-helixtrans-63.9-37.7172-176.1171.7-16800110.8Y345 A346 G351 K617Y345-E349 WeakPolarHBondContact CE1-OE2 3.37Å; Y345-E349 VanDerWaalsContact O-CB 3.31Å; Y345-E349 WeakPolarHBondContact O-CB 3.49Å; Y345-E349 PolarHBondContact O-N 2.85Å; Y345-E349 PolarHBondContact OH-OE2 3.36Å; A346-E349 PolarHBondContact O-N 2.85Å; E349-G351 PolarHBondContact O-N 3.37Å; E349-K617 WeakPolarHBondContact O-CD 3.45Å; E349-K617 WeakPolarHBondContact O-CE 3.16Å; E349-K617 PolarHBondContact O-NZ 3.49Å
350D84.7Confident86.4Confident15 Ų1536 Ų368%0.0818%0.182CC..THydrogen-bonded Turntrans-75.3-5175.1-73.5-24.3000113.7K22 Y103 Y107 A346 M347 A348 L352 K617K22-D350 IonicContact NZ-OD1 3.68Å; K22-D350 PolarHBondContact NZ-OD1 3.44Å; K22-D350 IonicContact NZ-OD2 2.78Å; K22-D350 PolarHBondContact NZ-OD2 2.91Å; Y103-D350 WeakPolarHBondContact OH-CB 3.37Å; Y103-D350 PolarHBondContact OH-OD2 3.02Å; Y103-D350 VanDerWaalsContact OH-OD2 3.07Å; Y107-D350 HydrophobicContact CE1-CB 4.24Å; A346-D350 PolarHBondContact O-N 2.96Å; M347-D350 PolarHBondContact O-N 2.92Å; A348-D350 VanDerWaalsContact C-N 3.31Å; D350-L352 HydrophobicContact CB-CG 4.38Å; D350-L352 PolarHBondContact O-N 3Å; D350-K617 PolarHBondContact O-N 3.27Å; D350-K617 VanDerWaalsContact O-N 3.08Å
351G84.3Confident86.1Confident8 Ų838.7 Ų38.78%0.08220%0.197CC..THydrogen-bonded Turntrans78.54.9179.200000114.2M347 A348 E349 F353 H615M347-G351 PolarHBondContact O-N 3.48Å; A348-G351 PolarHBondContact O-N 3.33Å; A348-G351 VanDerWaalsContact O-N 3.14Å; E349-G351 PolarHBondContact O-N 3.37Å; G351-F353 VanDerWaalsContact C-N 3.33Å; G351-H615 WeakPolarHBondContact CA-O 3.32Å; G351-H615 CarbonylContact O-C 3.36Å; G351-H615 VanDerWaalsContact O-CB 3.3Å; G351-H615 WeakPolarHBondContact O-CB 3.27Å
352L86.6Confident85.6Confident0 Ų044 Ų440%023%0.232CC..SBendtrans-80.1-18.8177.4-55.6-175.2000112.6Y103 Y107 E112 F116 M347 D350 Y608 G612Y103-L352 HydrophobicContact CE2-CD1 3.87Å; Y103-L352 WeakPolarHBondContact OH-CD1 3.06Å; Y107-L352 HydrophobicContact CE1-CD1 4Å; E112-L352 HydrophobicContact CG-CD1 4.06Å; E112-L352 HydrophobicContact CG-CD2 3.62Å; E112-L352 WeakPolarHBondContact OE1-CD2 3.42Å; F116-L352 HydrophobicContact CB-CD1 4.37Å; F116-L352 HydrophobicContact CD2-CB 3.97Å; F116-L352 WeakPolarHBondContact CE2-O 3.31Å; M347-L352 PolarHBondContact O-N 3.44Å; M347-L352 VanDerWaalsContact O-N 3.1Å; D350-L352 HydrophobicContact CB-CG 4.38Å; D350-L352 PolarHBondContact O-N 3Å; L352-Y608 HydrophobicContact CD2-CE2 4.34Å; L352-G612 WeakPolarHBondContact O-CA 3.14Å
353F89.5Confident85.3Confident12 Ų1247.6 Ų47.65%0.05326%0.259CS..SBendtrans-127.4163.2177.3-159.2-116.9000111.8W120 V344 M347 A348 G351 A355 F357 F374 V607 Y611W120-F353 HydrophobicContact CE3-CE2 4.37Å; W120-F353 AromaticContact CZ3-CE2 3.72Å; W120-F353 HydrophobicContact CZ3-CE2 3.72Å; W120-F353 HydrophobicContact CZ3-CZ 4.23Å; V344-F353 HydrophobicContact CG1-CD1 3.72Å; V344-F353 HydrophobicContact CG1-CE1 3.73Å; M347-F353 HydrophobicContact CB-CB 3.98Å; M347-F353 PolarHBondContact O-N 2.93Å; A348-F353 HydrophobicContact CB-CB 4.31Å; G351-F353 VanDerWaalsContact C-N 3.33Å; F353-A355 PolarHBondContact O-N 3.04Å; F353-F357 AromaticContact CD1-CD2 3.58Å; F353-F357 HydrophobicContact CD1-CD2 3.58Å; F353-F357 HydrophobicContact CD1-CE2 4.17Å; F353-F357 HydrophobicContact CD1-CG 4.35Å; F353-F357 AromaticContact CE1-CD2 3.23Å; F353-F357 HydrophobicContact CE1-CD2 3.23Å; F353-F357 AromaticContact CE1-CE2 3.39Å; F353-F357 HydrophobicContact CE1-CE2 3.39Å; F353-F357 HydrophobicContact CE1-CG 4.1Å; F353-F357 HydrophobicContact CE1-CZ 4.36Å; F353-F357 HydrophobicContact CZ-CD2 4.27Å; F353-F357 HydrophobicContact CZ-CE2 4.02Å; F353-F374 HydrophobicContact CE1-CE2 4.49Å; F353-F374 HydrophobicContact CE1-CZ 4.21Å; F353-F374 HydrophobicContact CZ-CZ 4.3Å; F353-V607 HydrophobicContact CD2-CG1 4.15Å; F353-V607 HydrophobicContact CE2-CG1 4.1Å; F353-Y611 VanDerWaalsContact C-CE1 3.46Å; F353-Y611 VanDerWaalsContact O-CE1 3.29Å; F353-Y611 WeakPolarHBondContact O-CE1 3.35Å
354F89Confident84.7Confident84 Ų8449 Ų4937%0.36827%0.267SS..  trans-54.6124.9-171.7-57.5-71.8000112.6F356 F357 V607 Y611F354-F356 PolarHBondContact O-N 3.31Å; F354-F357 HydrophobicContact CB-CD2 3.94Å; F354-F357 HydrophobicContact CB-CE2 4.11Å; F354-F357 HydrophobicContact CD2-CE2 4.07Å; F354-F357 PolarHBondContact O-N 2.65Å; F354-V607 HydrophobicContact CE2-CG1 4.21Å; F354-V607 HydrophobicContact CZ-CG1 4.27Å; F354-Y611 HydrophobicContact CD1-CD1 4.23Å; F354-Y611 AromaticContact CD1-CD2 3.96Å; F354-Y611 HydrophobicContact CD1-CD2 3.96Å; F354-Y611 HydrophobicContact CD1-CE1 4.37Å; F354-Y611 HydrophobicContact CD1-CE2 4.11Å; F354-Y611 HydrophobicContact CD1-CG 4.02Å; F354-Y611 HydrophobicContact CE1-CD2 4.09Å; F354-Y611 HydrophobicContact CE1-CG 4.04Å
355A86.3Confident84.1Confident55 Ų5557.1 Ų57.146%0.45530%0.303SS..G310 helixtrans-57.6-18.4-178.100000114.7F353 F357 A358 Y611F353-A355 PolarHBondContact O-N 3.04Å; A355-F357 PolarHBondContact O-N 3.43Å; A355-A358 PolarHBondContact O-N 3.07Å; A355-Y611 PolarHBondContact N-OH 3.22Å
356F88.6Confident83.8Confident105 Ų10554.6 Ų54.646%0.46129%0.294SS..G310 helixtrans-57.5-33.7173.7178.1-105000113F354 N369F354-F356 PolarHBondContact O-N 3.31Å; F356-N369 HydrophobicContact CD1-CB 4.31Å; F356-N369 HydrophobicContact CE1-CB 3.63Å; F356-N369 VanDerWaalsContact CE2-ND2 3.32Å; F356-N369 WeakPolarHBondContact CE2-ND2 3.27Å; F356-N369 HydrophobicContact CZ-CB 3.84Å; F356-N369 WeakPolarHBondContact CZ-ND2 3.39Å
357F87.6Confident83.9Confident21 Ų2154.7 Ų54.79%0.09229%0.294CS..G310 helixtrans-82.4-13.8-179.7-61.3-69.1000113.8V344 A348 F353 F354 A355 K359 A370 V373 F374V344-F357 HydrophobicContact CG1-CB 3.64Å; V344-F357 HydrophobicContact CG1-CD1 4.38Å; V344-F357 HydrophobicContact CG1-CD2 4.32Å; V344-F357 HydrophobicContact CG1-CG 3.87Å; A348-F357 HydrophobicContact CB-CB 4.23Å; F353-F357 AromaticContact CD1-CD2 3.58Å; F353-F357 HydrophobicContact CD1-CD2 3.58Å; F353-F357 HydrophobicContact CD1-CE2 4.17Å; F353-F357 HydrophobicContact CD1-CG 4.35Å; F353-F357 AromaticContact CE1-CD2 3.23Å; F353-F357 HydrophobicContact CE1-CD2 3.23Å; F353-F357 AromaticContact CE1-CE2 3.39Å; F353-F357 HydrophobicContact CE1-CE2 3.39Å; F353-F357 HydrophobicContact CE1-CG 4.1Å; F353-F357 HydrophobicContact CE1-CZ 4.36Å; F353-F357 HydrophobicContact CZ-CD2 4.27Å; F353-F357 HydrophobicContact CZ-CE2 4.02Å; F354-F357 HydrophobicContact CB-CD2 3.94Å; F354-F357 HydrophobicContact CB-CE2 4.11Å; F354-F357 HydrophobicContact CD2-CE2 4.07Å; F354-F357 PolarHBondContact O-N 2.65Å; A355-F357 PolarHBondContact O-N 3.43Å; F357-K359 PolarHBondContact O-N 3Å; F357-A370 HydrophobicContact CD1-CB 3.95Å; F357-V373 HydrophobicContact CE1-CB 4.07Å; F357-V373 HydrophobicContact CE1-CG1 4.16Å; F357-V373 HydrophobicContact CE1-CG2 4.17Å; F357-V373 HydrophobicContact CZ-CG1 4.28Å; F357-F374 HydrophobicContact CD1-CE2 4.28Å; F357-F374 HydrophobicContact CE1-CE2 4.02Å; F357-F374 HydrophobicContact CZ-CE2 4.26Å
358A83.6Confident83.9Confident29 Ų2955.6 Ų55.624%0.2430%0.3CS..G310 helixtrans-77.1-8.3174.100000113Y345 A348 A355 V360Y345-A358 WeakPolarHBondContact CE2-O 3.44Å; A348-A358 HydrophobicContact CB-CB 3.86Å; A355-A358 PolarHBondContact O-N 3.07Å; A358-V360 PolarHBondContact O-N 2.99Å
359K84.3Confident83.9Confident137 Ų13757.7 Ų57.760%0.59631%0.31SS*.PPolyproline II helixtrans-75.5117.7-179.4-68.1-175.5-179.9-179.20111.2F357F357-K359 PolarHBondContact O-N 3Å
360V84.3Confident84.1Confident66 Ų6653.7 Ų53.740%0.429%0.291SS..PPolyproline II helixtrans-99.7137.7177-176.80000110.3Y345 A358 K365Y345-V360 HydrophobicContact CD2-CG2 3.83Å; Y345-V360 HydrophobicContact CE2-CG2 3.44Å; Y345-V360 VanDerWaalsContact CE2-CG2 3.44Å; A358-V360 PolarHBondContact O-N 2.99Å; V360-K365 VanDerWaalsContact CG1-C 3.43Å
361N81.9Confident84.4Confident57 Ų5753 Ų5331%0.30529%0.288SS..PPolyproline II helixtrans-73.3129.7176-178.5-25.1000110.5V363 T364 K365 V366 V368N361-V363 VanDerWaalsContact C-N 3.28Å; N361-V363 PolarHBondContact O-N 3.45Å; N361-V363 PolarHBondContact OD1-N 2.97Å; N361-T364 WeakPolarHBondContact CB-OG1 3.48Å; N361-K365 VanDerWaalsContact O-CA 3.3Å; N361-K365 WeakPolarHBondContact O-CA 3.4Å; N361-K365 PolarHBondContact O-N 2.85Å; N361-V366 PolarHBondContact N-O 3.24Å; N361-V368 HydrophobicContact CB-CG2 3.82Å
362P76.4Confident84.8Confident116 Ų11656.6 Ų56.675%0.75331%0.305SS*.THydrogen-bonded Turntrans-62.5-28.4-17724.4-35.6000114.4
363V76.4Confident85.1Confident126 Ų12659.8 Ų59.876%0.76432%0.324SS*.THydrogen-bonded Turntrans-85.2-51.2-176.1-1790000111.2N361N361-V363 VanDerWaalsContact C-N 3.28Å; N361-V363 PolarHBondContact O-N 3.45Å; N361-V363 PolarHBondContact OD1-N 2.97Å
364T73.8Confident85.3Confident32 Ų3259.9 Ų59.920%0.19632%0.324CS..THydrogen-bonded Turntrans-87.2-17-173.960.90000112.8N361 V366N361-T364 WeakPolarHBondContact CB-OG1 3.48Å; T364-V366 WeakPolarHBondContact O-CG2 3.3Å; T364-V366 PolarHBondContact O-N 3.32Å
365K77Confident85.5Confident172 Ų17255.9 Ų55.975%0.74831%0.307SS*.  trans57.229.3-175.6-56.5-172.6177.9-1710113.8V360 N361V360-K365 VanDerWaalsContact CG1-C 3.43Å; N361-K365 VanDerWaalsContact O-CA 3.3Å; N361-K365 WeakPolarHBondContact O-CA 3.4Å; N361-K365 PolarHBondContact O-N 2.85Å
366V80.6Confident85.9Confident12 Ų1258.3 Ų58.37%0.07331%0.312CS..SBendtrans-125145.4178.7-1370000109.5V188 N361 T364 V368 I371V188-V366 HydrophobicContact CG2-CG1 4.21Å; V188-V366 HydrophobicContact CG2-CG2 3.67Å; N361-V366 PolarHBondContact N-O 3.24Å; T364-V366 WeakPolarHBondContact O-CG2 3.3Å; T364-V366 PolarHBondContact O-N 3.32Å; V366-V368 VanDerWaalsContact C-N 3.31Å; V366-V368 PolarHBondContact O-N 2.71Å; V366-I371 HydrophobicContact CB-CD1 3.94Å; V366-I371 HydrophobicContact CG1-CD1 3.58Å
367P85.3Confident86.1Confident9 Ų956.7 Ų56.76%0.05831%0.307CS..  trans-72.182.6173.429.5-38000111.5P341 N369 A370 I371P341-P367 HydrophobicContact CB-CG 3.84Å; P367-N369 VanDerWaalsContact C-N 3.27Å; P367-N369 PolarHBondContact O-N 3.03Å; P367-A370 HydrophobicContact CB-CB 4.16Å; P367-A370 HydrophobicContact CG-CB 4.48Å; P367-A370 PolarHBondContact O-N 3.26Å; P367-A370 VanDerWaalsContact O-N 3.13Å; P367-I371 PolarHBondContact O-N 2.86Å; P367-I371 VanDerWaalsContact O-N 3.1Å
368V87.4Confident86.5Confident21 Ų2155.8 Ų55.813%0.12730%0.303CS..Hα-helixtrans-56.7-39.3-176.3177.20000112.3T185 N361 V366 A370 I371 L372T185-V368 HydrophobicContact CG2-CG1 3.66Å; T185-V368 HydrophobicContact CG2-CG2 4.1Å; N361-V368 HydrophobicContact CB-CG2 3.82Å; V366-V368 VanDerWaalsContact C-N 3.31Å; V366-V368 PolarHBondContact O-N 2.71Å; V368-A370 VanDerWaalsContact C-N 3.33Å; V368-A370 PolarHBondContact O-N 3.46Å; V368-I371 PolarHBondContact O-N 3.45Å; V368-L372 HydrophobicContact CG1-CD1 3.83Å; V368-L372 HydrophobicContact CG1-CG 4.15Å; V368-L372 WeakPolarHBondContact O-CG 3.24Å; V368-L372 PolarHBondContact O-N 3.21Å
369N89.4Confident87Confident50 Ų5054.6 Ų54.627%0.26729%0.294SS..Hα-helixtrans-62-41.1179.5-66.3-8.5000112.2F356 P367 V373F356-N369 HydrophobicContact CD1-CB 4.31Å; F356-N369 HydrophobicContact CE1-CB 3.63Å; F356-N369 VanDerWaalsContact CE2-ND2 3.32Å; F356-N369 WeakPolarHBondContact CE2-ND2 3.27Å; F356-N369 HydrophobicContact CZ-CB 3.84Å; F356-N369 WeakPolarHBondContact CZ-ND2 3.39Å; P367-N369 VanDerWaalsContact C-N 3.27Å; P367-N369 PolarHBondContact O-N 3.03Å; N369-V373 WeakPolarHBondContact O-CB 3.32Å; N369-V373 VanDerWaalsContact O-CG2 3.29Å; N369-V373 WeakPolarHBondContact O-CG2 3.09Å; N369-V373 PolarHBondContact O-N 3.5Å; N369-V373 VanDerWaalsContact O-N 3.11Å
370A89.7Confident87.4Confident0 Ų051 Ų510%028%0.283CS..Hα-helixtrans-68.4-42.9176.700000110.9P341 V344 F357 P367 V368 L372 F374P341-A370 HydrophobicContact CB-CB 3.95Å; V344-A370 HydrophobicContact CG1-CB 4.48Å; F357-A370 HydrophobicContact CD1-CB 3.95Å; P367-A370 HydrophobicContact CB-CB 4.16Å; P367-A370 HydrophobicContact CG-CB 4.48Å; P367-A370 PolarHBondContact O-N 3.26Å; P367-A370 VanDerWaalsContact O-N 3.13Å; V368-A370 VanDerWaalsContact C-N 3.33Å; V368-A370 PolarHBondContact O-N 3.46Å; A370-L372 PolarHBondContact O-N 2.96Å; A370-F374 HydrophobicContact CB-CD2 4.44Å; A370-F374 WeakPolarHBondContact O-CB 3.5Å; A370-F374 WeakPolarHBondContact O-CD2 3.44Å; A370-F374 PolarHBondContact O-N 2.78Å
371I90.8Very high87.8Confident2 Ų248.8 Ų48.81%0.0127%0.269CS..Hα-helixtrans-56.9-50176.3-68.1160.7000111T181 I184 P341 V366 P367 V368 G375T181-I371 HydrophobicContact CG2-CG2 3.69Å; T181-I371 WeakPolarHBondContact CG2-O 3.35Å; I184-I371 HydrophobicContact CG2-CD1 4.06Å; I184-I371 HydrophobicContact CG2-CG2 4.4Å; P341-I371 HydrophobicContact CB-CG1 3.93Å; P341-I371 HydrophobicContact CG-CB 4.41Å; P341-I371 HydrophobicContact CG-CG1 3.51Å; V366-I371 HydrophobicContact CB-CD1 3.94Å; V366-I371 HydrophobicContact CG1-CD1 3.58Å; P367-I371 PolarHBondContact O-N 2.86Å; P367-I371 VanDerWaalsContact O-N 3.1Å; V368-I371 PolarHBondContact O-N 3.45Å; I371-G375 VanDerWaalsContact O-CA 3.3Å; I371-G375 WeakPolarHBondContact O-CA 3.24Å; I371-G375 PolarHBondContact O-N 2.88Å
372L92.2Very high88.3Confident82 Ų8246 Ų4643%0.42925%0.254SS..Hα-helixtrans-66.8-46-176.6-69175.7000112.4T181 V368 A370 L376T181-L372 HydrophobicContact CG2-CD2 4.3Å; V368-L372 HydrophobicContact CG1-CD1 3.83Å; V368-L372 HydrophobicContact CG1-CG 4.15Å; V368-L372 WeakPolarHBondContact O-CG 3.24Å; V368-L372 PolarHBondContact O-N 3.21Å; A370-L372 PolarHBondContact O-N 2.96Å; L372-L376 VanDerWaalsContact O-CB 3.24Å; L372-L376 WeakPolarHBondContact O-CB 3.45Å; L372-L376 PolarHBondContact O-N 3.46Å
373V93.6Very high88.9Confident68 Ų6842.6 Ų42.641%0.41223%0.229SC..Hα-helixtrans-66.9-50.7-178171.50000111F357 N369 L376 L377F357-V373 HydrophobicContact CE1-CB 4.07Å; F357-V373 HydrophobicContact CE1-CG1 4.16Å; F357-V373 HydrophobicContact CE1-CG2 4.17Å; F357-V373 HydrophobicContact CZ-CG1 4.28Å; N369-V373 WeakPolarHBondContact O-CB 3.32Å; N369-V373 VanDerWaalsContact O-CG2 3.29Å; N369-V373 WeakPolarHBondContact O-CG2 3.09Å; N369-V373 PolarHBondContact O-N 3.5Å; N369-V373 VanDerWaalsContact O-N 3.11Å; V373-L376 PolarHBondContact O-N 3.19Å; V373-L377 WeakPolarHBondContact O-CB 3.5Å; V373-L377 PolarHBondContact O-N 3.38Å
374F93.3Very high89.5Confident13 Ų1338.9 Ų38.96%0.05720%0.204CC..Hα-helixtrans-75.6-31-178-73.9-84.4000112.4V123 M127 L340 V344 F353 F357 A370 L377 M378V123-F374 HydrophobicContact CG1-CD1 4.37Å; V123-F374 HydrophobicContact CG1-CE1 3.64Å; V123-F374 HydrophobicContact CG1-CZ 4.24Å; M127-F374 HydrophobicContact SD-CD1 4.31Å; L340-F374 HydrophobicContact CD2-CB 3.56Å; L340-F374 HydrophobicContact CD2-CD1 4.03Å; L340-F374 HydrophobicContact CD2-CG 4Å; L340-F374 HydrophobicContact CG-CB 4.31Å; L340-F374 HydrophobicContact CG-CG 4.42Å; V344-F374 HydrophobicContact CB-CE2 4.3Å; V344-F374 HydrophobicContact CG1-CE2 3.76Å; V344-F374 HydrophobicContact CG1-CZ 4.25Å; V344-F374 HydrophobicContact CG2-CD2 4.19Å; V344-F374 HydrophobicContact CG2-CE1 4.37Å; V344-F374 HydrophobicContact CG2-CE2 3.69Å; V344-F374 HydrophobicContact CG2-CZ 3.78Å; F353-F374 HydrophobicContact CE1-CE2 4.49Å; F353-F374 HydrophobicContact CE1-CZ 4.21Å; F353-F374 HydrophobicContact CZ-CZ 4.3Å; F357-F374 HydrophobicContact CD1-CE2 4.28Å; F357-F374 HydrophobicContact CE1-CE2 4.02Å; F357-F374 HydrophobicContact CZ-CE2 4.26Å; A370-F374 HydrophobicContact CB-CD2 4.44Å; A370-F374 WeakPolarHBondContact O-CB 3.5Å; A370-F374 WeakPolarHBondContact O-CD2 3.44Å; A370-F374 PolarHBondContact O-N 2.78Å; F374-L377 PolarHBondContact O-N 3.24Å; F374-M378 HydrophobicContact CB-CE 4.34Å; F374-M378 WeakPolarHBondContact O-CB 3.3Å; F374-M378 WeakPolarHBondContact O-CE 3.3Å; F374-M378 VanDerWaalsContact O-CG 3.25Å; F374-M378 WeakPolarHBondContact O-CG 3.44Å; F374-M378 PolarHBondContact O-N 2.92Å
375G93.3Very high90.2Very high0 Ų040.2 Ų40.20%021%0.207CC..Hα-helixtrans-63.4-42.4171.100000112.7T181 I371 M378 A379T181-G375 WeakPolarHBondContact OG1-CA 3.34Å; I371-G375 VanDerWaalsContact O-CA 3.3Å; I371-G375 WeakPolarHBondContact O-CA 3.24Å; I371-G375 PolarHBondContact O-N 2.88Å; G375-M378 WeakPolarHBondContact O-CB 3.29Å; G375-M378 PolarHBondContact O-N 3.36Å; G375-A379 PolarHBondContact O-N 3.38Å
376L94.1Very high90.6Very high106 Ų10635.2 Ų35.256%0.55519%0.189SC*.Hα-helixtrans-64.9-43.1172.6-177.765000111.5L372 V373 M378 A379 V380L372-L376 VanDerWaalsContact O-CB 3.24Å; L372-L376 WeakPolarHBondContact O-CB 3.45Å; L372-L376 PolarHBondContact O-N 3.46Å; V373-L376 PolarHBondContact O-N 3.19Å; L376-M378 VanDerWaalsContact C-N 3.32Å; L376-M378 PolarHBondContact O-N 2.88Å; L376-A379 WeakPolarHBondContact O-CB 3.3Å; L376-A379 PolarHBondContact O-N 3.27Å; L376-A379 VanDerWaalsContact O-N 3.15Å; L376-V380 WeakPolarHBondContact O-CG2 3.32Å; L376-V380 PolarHBondContact O-N 2.95Å
377L93.9Very high90.8Very high71 Ų7135.7 Ų35.737%0.37219%0.191SC..Hα-helixtrans-62.4-40.3177.5-170.459.1000111.5M127 V373 F374 V380 M381M127-L377 HydrophobicContact CE-CD2 4.2Å; M127-L377 HydrophobicContact SD-CB 4.24Å; M127-L377 HydrophobicContact SD-CD2 3.29Å; M127-L377 WeakPolarHBondContact SD-CD2 3.32Å; M127-L377 HydrophobicContact SD-CG 3.58Å; M127-L377 VanDerWaalsContact SD-CG 3.58Å; V373-L377 WeakPolarHBondContact O-CB 3.5Å; V373-L377 PolarHBondContact O-N 3.38Å; F374-L377 PolarHBondContact O-N 3.24Å; L377-V380 PolarHBondContact O-N 3.45Å; L377-M381 WeakPolarHBondContact O-CG 3.47Å; L377-M381 PolarHBondContact O-N 3.46Å
378M94.4Very high90.6Very high2 Ų241.2 Ų41.21%0.0122%0.216CC..Hα-helixtrans-58.9-45.8171-76-173.7-99.200112M127 L177 L337 L340 F374 G375 L376 V380 M381 A382M127-M378 HydrophobicContact CB-CG 4.16Å; M127-M378 HydrophobicContact CG-CG 3.63Å; M127-M378 VanDerWaalsContact O-CG 3.31Å; M127-M378 WeakPolarHBondContact O-CG 3.3Å; L177-M378 HydrophobicContact CD1-CB 4.25Å; L177-M378 HydrophobicContact CD2-CB 3.94Å; L337-M378 HydrophobicContact CD2-CE 3.4Å; L337-M378 VanDerWaalsContact CD2-CE 3.4Å; L337-M378 HydrophobicContact CD2-SD 4.18Å; L337-M378 HydrophobicContact CG-CE 4.22Å; L340-M378 HydrophobicContact CD2-CE 3.34Å; L340-M378 HydrophobicContact CD2-SD 4.25Å; F374-M378 HydrophobicContact CB-CE 4.34Å; F374-M378 WeakPolarHBondContact O-CB 3.3Å; F374-M378 WeakPolarHBondContact O-CE 3.3Å; F374-M378 VanDerWaalsContact O-CG 3.25Å; F374-M378 WeakPolarHBondContact O-CG 3.44Å; F374-M378 PolarHBondContact O-N 2.92Å; G375-M378 WeakPolarHBondContact O-CB 3.29Å; G375-M378 PolarHBondContact O-N 3.36Å; L376-M378 VanDerWaalsContact C-N 3.32Å; L376-M378 PolarHBondContact O-N 2.88Å; M378-V380 VanDerWaalsContact C-N 3.32Å; M378-V380 PolarHBondContact O-N 3.36Å; M378-M381 PolarHBondContact O-N 2.84Å; M378-A382 WeakPolarHBondContact O-CB 3.43Å; M378-A382 PolarHBondContact O-N 3Å
379A94.7Very high90.4Very high4 Ų441 Ų413%0.03322%0.216CC..Hα-helixtrans-61.9-40.3178.100000112A174 L177 V178 G375 L376 A382 L383A174-A379 HydrophobicContact CB-CB 4.36Å; L177-A379 HydrophobicContact CB-CB 3.94Å; V178-A379 HydrophobicContact CG2-CB 4.03Å; G375-A379 PolarHBondContact O-N 3.38Å; L376-A379 WeakPolarHBondContact O-CB 3.3Å; L376-A379 PolarHBondContact O-N 3.27Å; L376-A379 VanDerWaalsContact O-N 3.15Å; A379-A382 PolarHBondContact O-N 3.05Å; A379-L383 WeakPolarHBondContact O-CB 3.11Å; A379-L383 PolarHBondContact O-N 3.28Å
380V93.8Very high90.3Very high62 Ų6238.7 Ų38.738%0.37620%0.204SC..Hα-helixtrans-65.3-41.4174.8172.50000111.2L376 L377 M378 L383 I384L376-V380 WeakPolarHBondContact O-CG2 3.32Å; L376-V380 PolarHBondContact O-N 2.95Å; L377-V380 PolarHBondContact O-N 3.45Å; M378-V380 VanDerWaalsContact C-N 3.32Å; M378-V380 PolarHBondContact O-N 3.36Å; V380-L383 WeakPolarHBondContact O-CB 3.49Å; V380-L383 PolarHBondContact O-N 3.3Å; V380-I384 HydrophobicContact CG1-CD1 3.61Å; V380-I384 HydrophobicContact CG1-CG1 4.47Å; V380-I384 VanDerWaalsContact O-CG1 3.31Å; V380-I384 WeakPolarHBondContact O-CG1 3.41Å; V380-I384 PolarHBondContact O-N 3.45Å; V380-I384 VanDerWaalsContact O-N 3.09Å
381M91.4Very high90.1Very high19 Ų1939 Ų399%0.09421%0.206CC..Hα-helixtrans-64.9-41.7175.9-71.1-170.58000112.2M127 I128 A131 L377 M378 L383 I384 F385 L390M127-M381 HydrophobicContact CE-CE 4.46Å; M127-M381 HydrophobicContact CE-SD 3.48Å; M127-M381 WeakPolarHBondContact CE-SD 3.14Å; M127-M381 HydrophobicContact CG-SD 3.82Å; M127-M381 HydrophobicContact SD-SD 3.99Å; I128-M381 HydrophobicContact CD1-CE 4.21Å; I128-M381 HydrophobicContact CG1-CE 3.57Å; I128-M381 HydrophobicContact CG1-SD 4.27Å; A131-M381 HydrophobicContact CB-CB 3.94Å; L377-M381 WeakPolarHBondContact O-CG 3.47Å; L377-M381 PolarHBondContact O-N 3.46Å; M378-M381 PolarHBondContact O-N 2.84Å; M381-L383 VanDerWaalsContact C-N 3.3Å; M381-L383 PolarHBondContact O-N 3.3Å; M381-I384 PolarHBondContact O-N 3.22Å; M381-F385 HydrophobicContact CB-CD2 4.29Å; M381-F385 HydrophobicContact CE-CD2 4.27Å; M381-F385 HydrophobicContact CE-CE2 4.26Å; M381-F385 HydrophobicContact CG-CD2 4.48Å; M381-F385 WeakPolarHBondContact O-CB 3.25Å; M381-F385 PolarHBondContact O-N 3.02Å; M381-L390 HydrophobicContact CE-CD2 4.29Å
382A91.9Very high89.7Confident0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-63.3-37.2174.800000111.7A131 A134 R135 A173 L177 M378 A379A131-A382 HydrophobicContact CB-CB 4.06Å; A134-A382 HydrophobicContact CB-CB 4.45Å; R135-A382 WeakPolarHBondContact CD-O 3.37Å; R135-A382 HydrophobicContact CG-CB 4.23Å; A173-A382 HydrophobicContact CB-CB 4.11Å; L177-A382 HydrophobicContact CD1-CB 3.58Å; M378-A382 WeakPolarHBondContact O-CB 3.43Å; M378-A382 PolarHBondContact O-N 3Å; A379-A382 PolarHBondContact O-N 3.05Å
383L90.4Very high89.4Confident43 Ų4338 Ų3823%0.22520%0.199CC..Hα-helixtrans-63.2-42.6176-171.890.4000112.1P169 D170 L171 A174 A379 V380 M381P169-L383 WeakPolarHBondContact CA-O 3.47Å; P169-L383 HydrophobicContact CB-CD1 4.16Å; P169-L383 HydrophobicContact CB-CG 4.06Å; D170-L383 PolarHBondContact N-O 3.4Å; L171-L383 HydrophobicContact CD2-CD1 3.68Å; L171-L383 HydrophobicContact CG-CD1 4.43Å; A174-L383 HydrophobicContact CB-CB 4.29Å; A174-L383 HydrophobicContact CB-CD1 4.01Å; A379-L383 WeakPolarHBondContact O-CB 3.11Å; A379-L383 PolarHBondContact O-N 3.28Å; V380-L383 WeakPolarHBondContact O-CB 3.49Å; V380-L383 PolarHBondContact O-N 3.3Å; M381-L383 VanDerWaalsContact C-N 3.3Å; M381-L383 PolarHBondContact O-N 3.3Å
384I89Confident89.1Confident49 Ų4934.9 Ų34.925%0.25118%0.18SC..Hα-helixtrans-91.8-37.5-166.5-63.6171.4000112.9W160 I165 A166 V380 M381W160-I384 HydrophobicContact CH2-CG1 4.32Å; W160-I384 HydrophobicContact CZ3-CB 4.46Å; W160-I384 HydrophobicContact CZ3-CG1 4.35Å; W160-I384 HydrophobicContact CZ3-CG2 4.3Å; I165-I384 HydrophobicContact CG2-CG2 3.96Å; I165-I384 VanDerWaalsContact CG2-O 3.23Å; I165-I384 WeakPolarHBondContact CG2-O 3.26Å; A166-I384 VanDerWaalsContact CB-O 3.29Å; A166-I384 WeakPolarHBondContact CB-O 3.39Å; A166-I384 PolarHBondContact N-O 3.48Å; V380-I384 HydrophobicContact CG1-CD1 3.61Å; V380-I384 HydrophobicContact CG1-CG1 4.47Å; V380-I384 VanDerWaalsContact O-CG1 3.31Å; V380-I384 WeakPolarHBondContact O-CG1 3.41Å; V380-I384 PolarHBondContact O-N 3.45Å; V380-I384 VanDerWaalsContact O-N 3.09Å; M381-I384 PolarHBondContact O-N 3.22Å
385F87.5Confident88.8Confident59 Ų5934.3 Ų34.326%0.25918%0.178SC..SBendtrans-104.6147-169.5-65.2-70.3000112.7R135 M381 L390R135-F385 PolarHBondContact NE-O 2.9Å; M381-F385 HydrophobicContact CB-CD2 4.29Å; M381-F385 HydrophobicContact CE-CD2 4.27Å; M381-F385 HydrophobicContact CE-CE2 4.26Å; M381-F385 HydrophobicContact CG-CD2 4.48Å; M381-F385 WeakPolarHBondContact O-CB 3.25Å; M381-F385 PolarHBondContact O-N 3.02Å; F385-L390 HydrophobicContact CB-CD1 4.14Å; F385-L390 HydrophobicContact CB-CD2 3.75Å; F385-L390 HydrophobicContact CB-CG 3.72Å; F385-L390 HydrophobicContact CD2-CD2 4.37Å; F385-L390 HydrophobicContact CG-CD2 4.36Å
386D85.3Confident88.5Confident67 Ų6734.3 Ų34.336%0.35818%0.178SC..  trans-79.8157.8176.1-160.517.9000112.5R135 A166 E388 A389 L390R135-D386 IonicContact CZ-OD1 3.5Å; R135-D386 IonicContact NH2-OD1 3.99Å; R135-D386 PolarHBondContact NH2-OD1 3.35Å; A166-D386 HydrophobicContact CB-CB 4.38Å; D386-E388 PolarHBondContact O-N 3.31Å; D386-A389 PolarHBondContact O-N 2.88Å; D386-L390 WeakPolarHBondContact O-CG 3.42Å; D386-L390 PolarHBondContact O-N 3.03Å
387L84.4Confident88.2Confident23 Ų2329.3 Ų29.312%0.1215%0.151CC..Hα-helixtrans-56.9-47-177.2178.362.8000111.7V57 A132 R135 A136 A389 L390 V391V57-L387 HydrophobicContact CG1-CD2 3.78Å; A132-L387 HydrophobicContact CB-CD1 4.09Å; A132-L387 WeakPolarHBondContact O-CD1 3.42Å; R135-L387 HydrophobicContact CB-CB 4.43Å; R135-L387 HydrophobicContact CB-CD1 4.4Å; A136-L387 HydrophobicContact CB-CD1 4.17Å; A136-L387 HydrophobicContact CB-CD2 4.22Å; L387-A389 PolarHBondContact O-N 3.07Å; L387-L390 PolarHBondContact O-N 2.85Å; L387-V391 HydrophobicContact CD1-CG2 4Å; L387-V391 HydrophobicContact CG-CG2 4.38Å; L387-V391 WeakPolarHBondContact O-CB 3.37Å; L387-V391 VanDerWaalsContact O-CG2 3.3Å; L387-V391 WeakPolarHBondContact O-CG2 3.4Å; L387-V391 PolarHBondContact O-N 3.38Å
388E82.1Confident87.9Confident125 Ų12525.9 Ų25.958%0.58413%0.133SC*.Hα-helixtrans-62.3-44-179.5-169.7-173.7168.200111.6D386 L390 V391 Q392D386-E388 PolarHBondContact O-N 3.31Å; E388-L390 VanDerWaalsContact C-N 3.34Å; E388-L390 PolarHBondContact O-N 3.17Å; E388-V391 PolarHBondContact O-N 3.5Å; E388-Q392 WeakPolarHBondContact O-CB 3.28Å; E388-Q392 WeakPolarHBondContact O-CG 3.35Å; E388-Q392 PolarHBondContact O-N 3.43Å; E388-Q392 PolarHBondContact OE1-NE2 3.31Å
389A82.7Confident87.7Confident16 Ų1625.8 Ų25.813%0.13213%0.133CC..Hα-helixtrans-62.7-39.7177.700000112.4D386 L387 F393D386-A389 PolarHBondContact O-N 2.88Å; L387-A389 PolarHBondContact O-N 3.07Å; A389-F393 VanDerWaalsContact O-CB 3.28Å; A389-F393 WeakPolarHBondContact O-CB 3.3Å; A389-F393 PolarHBondContact O-N 3.36Å
390L87.9Confident87.5Confident2 Ų227.3 Ų27.31%0.0114%0.14CC..Hα-helixtrans-67.3-48175.5-70.6165.1000110.7I128 A131 A132 R135 M381 F385 D386 L387 E388 F393 L394I128-L390 HydrophobicContact CG2-CB 3.93Å; I128-L390 HydrophobicContact CG2-CD2 3.88Å; I128-L390 WeakPolarHBondContact CG2-O 3.04Å; A131-L390 HydrophobicContact CB-CD1 4.2Å; A131-L390 HydrophobicContact CB-CD2 4.22Å; A132-L390 HydrophobicContact CB-CB 4Å; R135-L390 HydrophobicContact CG-CD1 4.04Å; M381-L390 HydrophobicContact CE-CD2 4.29Å; F385-L390 HydrophobicContact CB-CD1 4.14Å; F385-L390 HydrophobicContact CB-CD2 3.75Å; F385-L390 HydrophobicContact CB-CG 3.72Å; F385-L390 HydrophobicContact CD2-CD2 4.37Å; F385-L390 HydrophobicContact CG-CD2 4.36Å; D386-L390 WeakPolarHBondContact O-CG 3.42Å; D386-L390 PolarHBondContact O-N 3.03Å; L387-L390 PolarHBondContact O-N 2.85Å; E388-L390 VanDerWaalsContact C-N 3.34Å; E388-L390 PolarHBondContact O-N 3.17Å; L390-F393 PolarHBondContact O-N 3.45Å; L390-L394 VanDerWaalsContact O-CB 3.32Å; L390-L394 WeakPolarHBondContact O-CB 3.43Å; L390-L394 PolarHBondContact O-N 2.95Å
391V85.2Confident87.2Confident5 Ų524.4 Ų24.43%0.0312%0.122CC..Hα-helixtrans-62.8-45.8-179.3170.40000111.8L58 A132 Y246 L387 E388 F393 L394 S395L58-V391 HydrophobicContact CD1-CG1 4.5Å; A132-V391 HydrophobicContact CB-CG2 4.37Å; Y246-V391 HydrophobicContact CD1-CG1 3.8Å; Y246-V391 HydrophobicContact CD1-CG2 3.92Å; Y246-V391 HydrophobicContact CD2-CG1 4.38Å; Y246-V391 HydrophobicContact CE1-CG1 4.49Å; Y246-V391 HydrophobicContact CE1-CG2 3.77Å; Y246-V391 HydrophobicContact CG-CG1 3.71Å; Y246-V391 HydrophobicContact CG-CG2 4.36Å; L387-V391 HydrophobicContact CD1-CG2 4Å; L387-V391 HydrophobicContact CG-CG2 4.38Å; L387-V391 WeakPolarHBondContact O-CB 3.37Å; L387-V391 VanDerWaalsContact O-CG2 3.3Å; L387-V391 WeakPolarHBondContact O-CG2 3.4Å; L387-V391 PolarHBondContact O-N 3.38Å; E388-V391 PolarHBondContact O-N 3.5Å; V391-F393 VanDerWaalsContact C-N 3.31Å; V391-F393 PolarHBondContact O-N 3.14Å; V391-L394 WeakPolarHBondContact O-CB 3.3Å; V391-L394 PolarHBondContact O-N 3.48Å; V391-S395 PolarHBondContact O-N 3.32Å; V391-S395 PolarHBondContact O-OG 3.18Å; V391-S395 VanDerWaalsContact O-OG 3.12Å
392Q82.6Confident87.2Confident44 Ų4423.6 Ų23.621%0.20612%0.118CC..Hα-helixtrans-61.5-41177-71.5-178.110.800111.8E388 S395 I396 S590 T593E388-Q392 WeakPolarHBondContact O-CB 3.28Å; E388-Q392 WeakPolarHBondContact O-CG 3.35Å; E388-Q392 PolarHBondContact O-N 3.43Å; E388-Q392 PolarHBondContact OE1-NE2 3.31Å; Q392-S395 PolarHBondContact O-N 2.73Å; Q392-I396 PolarHBondContact O-N 2.95Å; Q392-S590 PolarHBondContact OE1-OG 3.49Å; Q392-T593 WeakPolarHBondContact O-CG2 3.5Å
393F84.9Confident87.2Confident20 Ų2023.7 Ų23.79%0.08812%0.119CC..Hα-helixtrans-71.9-31.6179.7-172.6-149.1000113L124 I128 A389 L390 V391 I396 R596 F597 W600L124-F393 HydrophobicContact CD1-CE1 3.68Å; L124-F393 HydrophobicContact CD1-CE2 4.48Å; L124-F393 HydrophobicContact CD1-CZ 3.51Å; L124-F393 HydrophobicContact CD2-CE1 4.25Å; L124-F393 HydrophobicContact CD2-CE2 4.26Å; L124-F393 HydrophobicContact CD2-CZ 3.98Å; L124-F393 HydrophobicContact CG-CE1 4.42Å; L124-F393 HydrophobicContact CG-CZ 4.35Å; I128-F393 HydrophobicContact CD1-CB 4.33Å; I128-F393 HydrophobicContact CD1-CD1 3.16Å; I128-F393 HydrophobicContact CD1-CE1 3.44Å; I128-F393 VanDerWaalsContact CD1-CE1 3.44Å; I128-F393 HydrophobicContact CD1-CG 3.81Å; I128-F393 HydrophobicContact CD1-CZ 4.27Å; I128-F393 HydrophobicContact CG1-CD1 4.35Å; A389-F393 VanDerWaalsContact O-CB 3.28Å; A389-F393 WeakPolarHBondContact O-CB 3.3Å; A389-F393 PolarHBondContact O-N 3.36Å; L390-F393 PolarHBondContact O-N 3.45Å; V391-F393 VanDerWaalsContact C-N 3.31Å; V391-F393 PolarHBondContact O-N 3.14Å; F393-I396 HydrophobicContact CD2-CG2 4.03Å; F393-I396 WeakPolarHBondContact O-CG2 3.37Å; F393-R596 HydrophobicContact CD2-CB 4.02Å; F393-R596 HydrophobicContact CE1-CB 4.42Å; F393-R596 HydrophobicContact CE2-CB 3.82Å; F393-R596 HydrophobicContact CG-CB 4.45Å; F393-R596 HydrophobicContact CZ-CB 4.04Å; F393-F597 HydrophobicContact CE2-CB 4.06Å; F393-F597 HydrophobicContact CE2-CD2 4.41Å; F393-W600 HydrophobicContact CZ-CB 4.29Å
394L87.9Confident87.2Confident2 Ų223.6 Ų23.61%0.0112%0.117CC..Hα-helixtrans-65.1-47.3171.6-17958.3000111.9E125 I128 Y246 L390 V391 I396 G397 T398E125-L394 VanDerWaalsContact CA-CD1 3.46Å; E125-L394 HydrophobicContact CB-CD1 3.92Å; E125-L394 HydrophobicContact CG-CD1 3.6Å; E125-L394 WeakPolarHBondContact O-CD1 3.36Å; I128-L394 HydrophobicContact CB-CB 4.47Å; I128-L394 HydrophobicContact CB-CD1 4.33Å; I128-L394 HydrophobicContact CG2-CB 3.78Å; I128-L394 HydrophobicContact CG2-CD1 4.48Å; Y246-L394 HydrophobicContact CD2-CD2 3.51Å; Y246-L394 HydrophobicContact CD2-CG 4.39Å; Y246-L394 HydrophobicContact CE2-CD2 3.23Å; Y246-L394 HydrophobicContact CE2-CG 4.48Å; L390-L394 VanDerWaalsContact O-CB 3.32Å; L390-L394 WeakPolarHBondContact O-CB 3.43Å; L390-L394 PolarHBondContact O-N 2.95Å; V391-L394 WeakPolarHBondContact O-CB 3.3Å; V391-L394 PolarHBondContact O-N 3.48Å; L394-I396 VanDerWaalsContact C-N 3.32Å; L394-I396 PolarHBondContact O-N 3.06Å; L394-G397 PolarHBondContact O-N 3.28Å; L394-T398 HydrophobicContact CD1-CG2 4Å; L394-T398 HydrophobicContact CG-CG2 4.12Å; L394-T398 WeakPolarHBondContact O-CG2 3.05Å; L394-T398 PolarHBondContact O-N 3.41Å
395S86.9Confident87.2Confident2 Ų221.2 Ų21.21%0.01411%0.105CC..Hα-helixtrans-59.2-38.2-175.7-67.20000113.2V391 Q392 G397 T398 L399V391-S395 PolarHBondContact O-N 3.32Å; V391-S395 PolarHBondContact O-OG 3.18Å; V391-S395 VanDerWaalsContact O-OG 3.12Å; Q392-S395 PolarHBondContact O-N 2.73Å; S395-G397 VanDerWaalsContact C-N 3.33Å; S395-G397 PolarHBondContact O-N 2.87Å; S395-T398 WeakPolarHBondContact CA-OG1 3.4Å; S395-T398 PolarHBondContact O-OG1 3.38Å; S395-L399 VanDerWaalsContact O-CB 3.27Å; S395-L399 WeakPolarHBondContact O-CB 3.42Å; S395-L399 WeakPolarHBondContact O-CD1 3.23Å; S395-L399 WeakPolarHBondContact O-CG 3.38Å; S395-L399 PolarHBondContact O-N 3.21Å
396I87.1Confident87.3Confident0 Ų018.4 Ų18.40%09%0.093CC..Hα-helixtrans-64.2-40.2176.3-171.9163.3000111.6Q392 F393 L394 L400 L589 T593 W594 F597Q392-I396 PolarHBondContact O-N 2.95Å; F393-I396 HydrophobicContact CD2-CG2 4.03Å; F393-I396 WeakPolarHBondContact O-CG2 3.37Å; L394-I396 VanDerWaalsContact C-N 3.32Å; L394-I396 PolarHBondContact O-N 3.06Å; I396-L400 WeakPolarHBondContact O-CB 3.27Å; I396-L400 PolarHBondContact O-N 3.5Å; I396-L400 VanDerWaalsContact O-N 3.07Å; I396-L589 HydrophobicContact CB-CD1 3.65Å; I396-L589 HydrophobicContact CG1-CD1 4.38Å; I396-T593 HydrophobicContact CB-CG2 3.74Å; I396-T593 HydrophobicContact CD1-CG2 4.07Å; I396-T593 HydrophobicContact CG2-CG2 3.36Å; I396-W594 HydrophobicContact CD1-CD2 3.7Å; I396-W594 HydrophobicContact CD1-CE3 3.89Å; I396-W594 HydrophobicContact CD1-CG 4.16Å; I396-W594 HydrophobicContact CD1-CH2 4.27Å; I396-W594 HydrophobicContact CD1-CZ2 4.09Å; I396-W594 HydrophobicContact CD1-CZ3 4.17Å; I396-F597 HydrophobicContact CD1-CB 4.05Å; I396-F597 HydrophobicContact CD1-CD1 4.2Å; I396-F597 HydrophobicContact CD1-CG 4.08Å; I396-F597 HydrophobicContact CG1-CG 4.28Å; I396-F597 HydrophobicContact CG2-CB 4.2Å; I396-F597 HydrophobicContact CG2-CD2 4.09Å; I396-F597 HydrophobicContact CG2-CG 4.29Å
397G87.3Confident87.5Confident0 Ų015.7 Ų15.70%08%0.079CC..Hα-helixtrans-64.2-49.9178.300000111.3N121 L394 S395 L399 L400 A401N121-G397 PolarHBondContact ND2-O 2.91Å; N121-G397 WeakPolarHBondContact OD1-CA 3.43Å; L394-G397 PolarHBondContact O-N 3.28Å; S395-G397 VanDerWaalsContact C-N 3.33Å; S395-G397 PolarHBondContact O-N 2.87Å; G397-L399 PolarHBondContact O-N 3.37Å; G397-L400 PolarHBondContact O-N 2.96Å; G397-A401 PolarHBondContact O-N 3.16Å
398T89.1Confident87.6Confident0 Ų014.6 Ų14.60%07%0.073CC..Hα-helixtrans-61.7-45.5-179.360.60000111.4E125 V249 L394 S395 L400 A401 Y402E125-T398 HydrophobicContact CG-CG2 3.61Å; E125-T398 WeakPolarHBondContact OE1-CG2 3.32Å; V249-T398 HydrophobicContact CB-CG2 4.48Å; V249-T398 HydrophobicContact CG1-CG2 3.81Å; V249-T398 HydrophobicContact CG2-CG2 3.76Å; L394-T398 HydrophobicContact CD1-CG2 4Å; L394-T398 HydrophobicContact CG-CG2 4.12Å; L394-T398 WeakPolarHBondContact O-CG2 3.05Å; L394-T398 PolarHBondContact O-N 3.41Å; S395-T398 WeakPolarHBondContact CA-OG1 3.4Å; S395-T398 PolarHBondContact O-OG1 3.38Å; T398-L400 VanDerWaalsContact C-N 3.33Å; T398-L400 PolarHBondContact O-N 2.78Å; T398-A401 PolarHBondContact O-N 3.36Å; T398-Y402 WeakPolarHBondContact O-CD1 3.15Å; T398-Y402 VanDerWaalsContact O-CG 3.27Å; T398-Y402 PolarHBondContact O-N 3.15Å
399L90.1Very high87.8Confident0 Ų08.7 Ų8.70%05%0.046CC..Hα-helixtrans-64.7-39-178.9-70.9168.3000111.3F245 S395 G397 Y402 T403 N582 L585 M586F245-L399 HydrophobicContact CD1-CD2 3.77Å; F245-L399 HydrophobicContact CD1-CG 4.14Å; F245-L399 HydrophobicContact CD2-CD2 4.2Å; F245-L399 HydrophobicContact CE1-CD2 3.41Å; F245-L399 VanDerWaalsContact CE1-CD2 3.41Å; F245-L399 HydrophobicContact CE1-CG 3.9Å; F245-L399 HydrophobicContact CE2-CD2 3.86Å; F245-L399 HydrophobicContact CG-CD2 4.14Å; F245-L399 HydrophobicContact CZ-CD2 3.44Å; F245-L399 VanDerWaalsContact CZ-CD2 3.44Å; F245-L399 HydrophobicContact CZ-CG 4.39Å; S395-L399 VanDerWaalsContact O-CB 3.27Å; S395-L399 WeakPolarHBondContact O-CB 3.42Å; S395-L399 WeakPolarHBondContact O-CD1 3.23Å; S395-L399 WeakPolarHBondContact O-CG 3.38Å; S395-L399 PolarHBondContact O-N 3.21Å; G397-L399 PolarHBondContact O-N 3.37Å; L399-Y402 PolarHBondContact O-N 3.35Å; L399-T403 WeakPolarHBondContact O-CB 3.31Å; L399-T403 PolarHBondContact O-N 2.99Å; L399-T403 PolarHBondContact O-OG1 3.37Å; L399-N582 HydrophobicContact CB-CB 4.45Å; L399-N582 HydrophobicContact CD2-CB 4.04Å; L399-L585 HydrophobicContact CD1-CB 3.81Å; L399-L585 HydrophobicContact CD2-CB 4.29Å; L399-L585 HydrophobicContact CD2-CD1 4.2Å; L399-M586 HydrophobicContact CB-CG 3.48Å; L399-M586 VanDerWaalsContact CB-CG 3.48Å; L399-M586 HydrophobicContact CB-SD 3.89Å; L399-M586 HydrophobicContact CD1-CG 3.69Å; L399-M586 HydrophobicContact CG-CG 4.22Å
400L89.2Confident88Confident36 Ų367.9 Ų7.919%0.1884%0.039CC..Hα-helixtrans-64.8-47174.7-174.5138.2000111.1I118 I396 G397 T398 Y402 T403 F404 M586 F597I118-L400 HydrophobicContact CD1-CD2 3.71Å; I396-L400 WeakPolarHBondContact O-CB 3.27Å; I396-L400 PolarHBondContact O-N 3.5Å; I396-L400 VanDerWaalsContact O-N 3.07Å; G397-L400 PolarHBondContact O-N 2.96Å; T398-L400 VanDerWaalsContact C-N 3.33Å; T398-L400 PolarHBondContact O-N 2.78Å; L400-Y402 VanDerWaalsContact C-N 3.28Å; L400-Y402 PolarHBondContact O-N 3.39Å; L400-T403 WeakPolarHBondContact O-CB 3.16Å; L400-T403 PolarHBondContact O-N 2.99Å; L400-F404 HydrophobicContact CD1-CE2 4.49Å; L400-F404 HydrophobicContact CD2-CD2 3.8Å; L400-F404 HydrophobicContact CD2-CE2 3.89Å; L400-F404 HydrophobicContact CG-CD2 4.02Å; L400-F404 HydrophobicContact CG-CE2 4.02Å; L400-F404 WeakPolarHBondContact O-CD2 3.5Å; L400-F404 PolarHBondContact O-N 3.44Å; L400-M586 HydrophobicContact CB-SD 4.19Å; L400-F597 HydrophobicContact CD1-CE1 3.75Å; L400-F597 HydrophobicContact CD1-CZ 3.63Å; L400-F597 HydrophobicContact CD2-CZ 4.34Å; L400-F597 HydrophobicContact CG-CZ 4.41Å
401A89Confident87.8Confident0 Ų08.7 Ų8.70%04%0.044CC..Hα-helixtrans-56.8-43.3176.600000111.6V122 G397 T398 T403 F404 V405V122-A401 HydrophobicContact CG2-CB 4.38Å; G397-A401 PolarHBondContact O-N 3.16Å; T398-A401 PolarHBondContact O-N 3.36Å; A401-T403 PolarHBondContact O-N 3.16Å; A401-F404 PolarHBondContact O-N 3.2Å; A401-V405 WeakPolarHBondContact O-CG2 3.16Å; A401-V405 PolarHBondContact O-N 3.35Å
402Y91.3Very high87.5Confident2 Ų210 Ų101%0.0085%0.051CC..Hα-helixtrans-69.3-35.9-178.8-687.9000112.3A85 Y89 F245 F251 T398 L399 L400 V405 A406 N582A85-Y402 HydrophobicContact CB-CD2 3.58Å; A85-Y402 HydrophobicContact CB-CE2 4.32Å; A85-Y402 HydrophobicContact CB-CG 4.08Å; Y89-Y402 HydrophobicContact CD2-CD1 4.46Å; Y89-Y402 AromaticContact CE2-CD1 3.37Å; Y89-Y402 HydrophobicContact CE2-CD1 3.37Å; Y89-Y402 AromaticContact CE2-CE1 3.79Å; Y89-Y402 HydrophobicContact CE2-CE1 3.79Å; Y89-Y402 HydrophobicContact CE2-CG 4Å; Y89-Y402 AromaticContact CZ-CD1 3.66Å; Y89-Y402 AromaticContact CZ-CE1 3.83Å; Y89-Y402 VanDerWaalsContact OH-CD1 3.31Å; Y89-Y402 WeakPolarHBondContact OH-CD1 3.11Å; F245-Y402 HydrophobicContact CE1-CD2 4.24Å; F245-Y402 AromaticContact CE1-CE2 3.97Å; F245-Y402 HydrophobicContact CE1-CE2 3.97Å; F245-Y402 AromaticContact CZ-CD2 3.61Å; F245-Y402 HydrophobicContact CZ-CD2 3.61Å; F245-Y402 AromaticContact CZ-CE2 3.58Å; F245-Y402 HydrophobicContact CZ-CE2 3.58Å; F251-Y402 AromaticContact CE1-CE2 3.56Å; F251-Y402 HydrophobicContact CE1-CE2 3.56Å; F251-Y402 AromaticContact CE1-CZ 3.65Å; F251-Y402 WeakPolarHBondContact CE1-OH 3.49Å; F251-Y402 HydrophobicContact CZ-CD2 4.15Å; F251-Y402 HydrophobicContact CZ-CE1 4.05Å; F251-Y402 AromaticContact CZ-CE2 3.45Å; F251-Y402 HydrophobicContact CZ-CE2 3.45Å; F251-Y402 VanDerWaalsContact CZ-CE2 3.45Å; F251-Y402 AromaticContact CZ-CZ 3.39Å; F251-Y402 WeakPolarHBondContact CZ-OH 3.37Å; T398-Y402 WeakPolarHBondContact O-CD1 3.15Å; T398-Y402 VanDerWaalsContact O-CG 3.27Å; T398-Y402 PolarHBondContact O-N 3.15Å; L399-Y402 PolarHBondContact O-N 3.35Å; L400-Y402 VanDerWaalsContact C-N 3.28Å; L400-Y402 PolarHBondContact O-N 3.39Å; Y402-V405 PolarHBondContact O-N 2.86Å; Y402-A406 WeakPolarHBondContact O-CB 3.46Å; Y402-A406 PolarHBondContact O-N 2.82Å; Y402-N582 WeakPolarHBondContact CB-ND2 3.37Å
403T91.7Very high87.4Confident3 Ų39.1 Ų9.12%0.0185%0.046CC..Hα-helixtrans-62.5-44.6174.6-52.60000110.8L399 L400 A401 A406 A407 M512 I579 N582 V583L399-T403 WeakPolarHBondContact O-CB 3.31Å; L399-T403 PolarHBondContact O-N 2.99Å; L399-T403 PolarHBondContact O-OG1 3.37Å; L400-T403 WeakPolarHBondContact O-CB 3.16Å; L400-T403 PolarHBondContact O-N 2.99Å; A401-T403 PolarHBondContact O-N 3.16Å; T403-A406 PolarHBondContact O-N 3.07Å; T403-A407 WeakPolarHBondContact O-CB 3.48Å; T403-A407 PolarHBondContact O-N 3.41Å; T403-M512 HydrophobicContact CG2-CE 3.43Å; T403-M512 VanDerWaalsContact CG2-CE 3.43Å; T403-M512 HydrophobicContact CG2-SD 3.54Å; T403-M512 VanDerWaalsContact CG2-SD 3.54Å; T403-I579 HydrophobicContact CG2-CB 4.18Å; T403-I579 HydrophobicContact CG2-CG1 3.92Å; T403-I579 HydrophobicContact CG2-CG2 3.86Å; T403-N582 VanDerWaalsContact OG1-CB 3.24Å; T403-N582 WeakPolarHBondContact OG1-CB 3.3Å; T403-V583 HydrophobicContact CG2-CG2 4.28Å
404F89.4Confident87.1Confident40 Ų408.3 Ų8.318%0.1754%0.042CC..Hα-helixtrans-68.2-38.3177.1-88.7-87.2000113.2W114 I118 L400 A401 A407 S408W114-F404 HydrophobicContact CD2-CE1 4.32Å; W114-F404 AromaticContact CE3-CE1 3.55Å; W114-F404 HydrophobicContact CE3-CE1 3.55Å; W114-F404 AromaticContact CE3-CZ 3.82Å; W114-F404 HydrophobicContact CE3-CZ 3.82Å; W114-F404 AromaticContact CZ3-CE1 3.78Å; W114-F404 HydrophobicContact CZ3-CE1 3.78Å; W114-F404 AromaticContact CZ3-CZ 3.64Å; W114-F404 HydrophobicContact CZ3-CZ 3.64Å; I118-F404 HydrophobicContact CD1-CB 3.67Å; I118-F404 HydrophobicContact CD1-CD1 4.28Å; I118-F404 HydrophobicContact CD1-CD2 3.59Å; I118-F404 HydrophobicContact CD1-CE2 4.27Å; I118-F404 HydrophobicContact CD1-CG 3.59Å; I118-F404 HydrophobicContact CG1-CB 4.15Å; I118-F404 HydrophobicContact CG1-CG 4.21Å; L400-F404 HydrophobicContact CD1-CE2 4.49Å; L400-F404 HydrophobicContact CD2-CD2 3.8Å; L400-F404 HydrophobicContact CD2-CE2 3.89Å; L400-F404 HydrophobicContact CG-CD2 4.02Å; L400-F404 HydrophobicContact CG-CE2 4.02Å; L400-F404 WeakPolarHBondContact O-CD2 3.5Å; L400-F404 PolarHBondContact O-N 3.44Å; A401-F404 PolarHBondContact O-N 3.2Å; F404-A407 PolarHBondContact O-N 3.49Å; F404-S408 VanDerWaalsContact O-CB 3.26Å; F404-S408 WeakPolarHBondContact O-CB 3.31Å; F404-S408 PolarHBondContact O-N 2.85Å; F404-S408 PolarHBondContact O-OG 3.19Å
405V89.1Confident86.2Confident0 Ų011.4 Ų11.40%06%0.057CC..Hα-helixtrans-64.7-43.2174.6171.90000110.8C88 Y89 F92 A102 F105 A401 Y402 A407 S408 V409C88-V405 HydrophobicContact CB-CG1 4.49Å; Y89-V405 HydrophobicContact CD2-CB 4.28Å; Y89-V405 HydrophobicContact CD2-CG1 3.76Å; Y89-V405 HydrophobicContact CE1-CG2 4.23Å; Y89-V405 HydrophobicContact CE2-CB 3.76Å; Y89-V405 HydrophobicContact CE2-CG1 3.76Å; Y89-V405 HydrophobicContact CE2-CG2 3.88Å; Y89-V405 HydrophobicContact CG-CG1 4.2Å; F92-V405 HydrophobicContact CD2-CG1 3.89Å; F92-V405 HydrophobicContact CE2-CG1 4.31Å; A102-V405 HydrophobicContact CB-CG2 3.67Å; F105-V405 HydrophobicContact CD2-CG1 4.47Å; F105-V405 HydrophobicContact CD2-CG2 4.44Å; A401-V405 WeakPolarHBondContact O-CG2 3.16Å; A401-V405 PolarHBondContact O-N 3.35Å; Y402-V405 PolarHBondContact O-N 2.86Å; V405-A407 PolarHBondContact O-N 2.97Å; V405-S408 WeakPolarHBondContact O-CB 3.37Å; V405-S408 PolarHBondContact O-N 3.4Å; V405-V409 WeakPolarHBondContact O-CG2 3.48Å; V405-V409 PolarHBondContact O-N 3.47Å
406A90.9Very high85Confident0 Ų013.6 Ų13.60%07%0.071CC..Hα-helixtrans-59.9-43.7174.900000112.2Y402 T403 V409 I410 P575 I579Y402-A406 WeakPolarHBondContact O-CB 3.46Å; Y402-A406 PolarHBondContact O-N 2.82Å; T403-A406 PolarHBondContact O-N 3.07Å; A406-V409 PolarHBondContact O-N 2.97Å; A406-I410 PolarHBondContact O-N 3.13Å; A406-P575 HydrophobicContact CB-CB 4.23Å; A406-I579 HydrophobicContact CB-CD1 4.26Å; A406-I579 HydrophobicContact CB-CG1 3.84Å
407A89.6Confident83.5Confident9 Ų921 Ų217%0.07411%0.106CC..Hα-helixtrans-62.9-42.3174.100000112T403 F404 V405 V409 I410 V411 V508 M512 I579T403-A407 WeakPolarHBondContact O-CB 3.48Å; T403-A407 PolarHBondContact O-N 3.41Å; F404-A407 PolarHBondContact O-N 3.49Å; V405-A407 PolarHBondContact O-N 2.97Å; A407-V409 VanDerWaalsContact C-N 3.31Å; A407-V409 PolarHBondContact O-N 3.06Å; A407-I410 PolarHBondContact O-N 3.32Å; A407-V411 WeakPolarHBondContact O-CG2 3.4Å; A407-V411 PolarHBondContact O-N 2.78Å; A407-V508 HydrophobicContact CB-CG1 3.79Å; A407-M512 HydrophobicContact CB-SD 4.31Å; A407-I579 HydrophobicContact CB-CD1 4.32Å
408S85.8Confident81.7Confident0 Ų029.3 Ų29.30%014%0.142CC..Hα-helixtrans-62.2-36.6178.4-60.80000111.9F92 S109 C110 F404 V405 I410 V411 L412F92-S408 VanDerWaalsContact CZ-C 3.45Å; F92-S408 WeakPolarHBondContact CZ-O 3.5Å; S109-S408 VanDerWaalsContact OG-CB 3.29Å; S109-S408 WeakPolarHBondContact OG-CB 3.31Å; S109-S408 PolarHBondContact OG-OG 3.12Å; C110-S408 PolarHBondContact SG-OG 3.37Å; F404-S408 VanDerWaalsContact O-CB 3.26Å; F404-S408 WeakPolarHBondContact O-CB 3.31Å; F404-S408 PolarHBondContact O-N 2.85Å; F404-S408 PolarHBondContact O-OG 3.19Å; V405-S408 WeakPolarHBondContact O-CB 3.37Å; V405-S408 PolarHBondContact O-N 3.4Å; S408-I410 VanDerWaalsContact C-N 3.34Å; S408-I410 PolarHBondContact O-N 2.86Å; S408-V411 PolarHBondContact O-N 2.92Å; S408-L412 WeakPolarHBondContact O-CB 3.4Å; S408-L412 PolarHBondContact O-N 2.94Å
409V86.9Confident79Confident1 Ų137.3 Ų37.31%0.00618%0.179CC..Hα-helixtrans-62.8-45.4178.1169.40000109.5C88 F92 V405 A406 A407 R413C88-V409 HydrophobicContact CB-CG2 3.89Å; C88-V409 WeakPolarHBondContact O-CG2 3.1Å; F92-V409 HydrophobicContact CD2-CB 4.38Å; F92-V409 HydrophobicContact CD2-CG2 3.24Å; F92-V409 VanDerWaalsContact CE2-CA 3.47Å; F92-V409 HydrophobicContact CE2-CB 3.91Å; F92-V409 HydrophobicContact CE2-CG2 3.19Å; F92-V409 HydrophobicContact CG-CG2 4.39Å; F92-V409 HydrophobicContact CZ-CG2 4.28Å; V405-V409 WeakPolarHBondContact O-CG2 3.48Å; V405-V409 PolarHBondContact O-N 3.47Å; A406-V409 PolarHBondContact O-N 2.97Å; A407-V409 VanDerWaalsContact C-N 3.31Å; A407-V409 PolarHBondContact O-N 3.06Å; V409-R413 WeakPolarHBondContact O-CB 3.31Å; V409-R413 PolarHBondContact O-N 3.13Å
410I85.7Confident76.2Confident0 Ų044.4 Ų44.40%021%0.21CC..Hα-helixtrans-60.3-53.7177.8-58.7168.5000108.8A406 A407 S408 L412 R413 F414 V504 V508 I554 P575 I579A406-I410 PolarHBondContact O-N 3.13Å; A407-I410 PolarHBondContact O-N 3.32Å; S408-I410 VanDerWaalsContact C-N 3.34Å; S408-I410 PolarHBondContact O-N 2.86Å; I410-L412 VanDerWaalsContact C-N 3.35Å; I410-L412 PolarHBondContact O-N 3.02Å; I410-R413 PolarHBondContact O-N 3.38Å; I410-R413 VanDerWaalsContact O-N 3.11Å; I410-F414 HydrophobicContact CG2-CD2 4.02Å; I410-F414 HydrophobicContact CG2-CE2 4.11Å; I410-F414 WeakPolarHBondContact O-CD2 3.4Å; I410-F414 PolarHBondContact O-N 3.49Å; I410-V504 HydrophobicContact CG2-CG1 4.2Å; I410-V508 HydrophobicContact CB-CG2 3.83Å; I410-V508 HydrophobicContact CD1-CG2 4.3Å; I410-V508 HydrophobicContact CG2-CG2 3.4Å; I410-I554 HydrophobicContact CG2-CD1 4.27Å; I410-I554 HydrophobicContact CG2-CG2 3.72Å; I410-P575 HydrophobicContact CD1-CB 3.93Å; I410-P575 HydrophobicContact CG1-CB 3.84Å; I410-P575 HydrophobicContact CG1-CG 4.27Å; I410-I579 HydrophobicContact CD1-CD1 4.46Å
411V83.9Confident73.3Confident19 Ų1949.3 Ų49.312%0.11524%0.241CC..Hα-helixtrans-55.8-48.9-178.4172.30000111.4A407 S408 R413 F414 Q415 V508A407-V411 WeakPolarHBondContact O-CG2 3.4Å; A407-V411 PolarHBondContact O-N 2.78Å; S408-V411 PolarHBondContact O-N 2.92Å; V411-R413 VanDerWaalsContact C-N 3.28Å; V411-R413 PolarHBondContact O-N 3.24Å; V411-F414 PolarHBondContact O-N 2.88Å; V411-Q415 HydrophobicContact CG1-CG 4.11Å; V411-Q415 WeakPolarHBondContact O-CG 3.31Å; V411-Q415 PolarHBondContact O-N 3.42Å; V411-V508 HydrophobicContact CG2-CB 4.34Å; V411-V508 HydrophobicContact CG2-CG1 4.23Å; V411-V508 HydrophobicContact CG2-CG2 4.14Å
412L79.1Confident70.5Confident33 Ų3354.7 Ų54.717%0.17328%0.279CS..Hα-helixtrans-61.9-35-179.6-168.585.7000112.5F92 V108 S408 I410 F414F92-L412 HydrophobicContact CD1-CD2 4.27Å; F92-L412 HydrophobicContact CE1-CB 4.36Å; F92-L412 HydrophobicContact CE1-CD2 3.65Å; F92-L412 HydrophobicContact CE1-CG 4.39Å; F92-L412 HydrophobicContact CZ-CB 4.18Å; F92-L412 HydrophobicContact CZ-CD2 4.22Å; V108-L412 HydrophobicContact CG1-CD1 4.42Å; S408-L412 WeakPolarHBondContact O-CB 3.4Å; S408-L412 PolarHBondContact O-N 2.94Å; I410-L412 VanDerWaalsContact C-N 3.35Å; I410-L412 PolarHBondContact O-N 3.02Å; L412-F414 VanDerWaalsContact C-N 3.27Å; L412-F414 PolarHBondContact O-N 3.23Å
413R80.8Confident67.5Low24 Ų2459.7 Ų59.79%0.09132%0.315CS..Hα-helixtrans-72.4-20.5-177.5-156.4175.2-161.6-144.910.9113.1V409 I410 V411 P559 H560V409-R413 WeakPolarHBondContact O-CB 3.31Å; V409-R413 PolarHBondContact O-N 3.13Å; I410-R413 PolarHBondContact O-N 3.38Å; I410-R413 VanDerWaalsContact O-N 3.11Å; V411-R413 VanDerWaalsContact C-N 3.28Å; V411-R413 PolarHBondContact O-N 3.24Å; R413-P559 HydrophobicContact CG-CB 3.88Å; R413-H560 VanDerWaalsContact O-CB 3.25Å; R413-H560 WeakPolarHBondContact O-CB 3.29Å; R413-H560 PolarHBondContact O-N 2.91Å
414F77.5Confident64.5Low3 Ų369.6 Ų69.61%0.01336%0.357CS..Hα-helixtrans-1195.4-177.2-63.6-82.5000113.3I410 V411 L412 G481 V504 I554 H557 E558 P559 V571I410-F414 HydrophobicContact CG2-CD2 4.02Å; I410-F414 HydrophobicContact CG2-CE2 4.11Å; I410-F414 WeakPolarHBondContact O-CD2 3.4Å; I410-F414 PolarHBondContact O-N 3.49Å; V411-F414 PolarHBondContact O-N 2.88Å; L412-F414 VanDerWaalsContact C-N 3.27Å; L412-F414 PolarHBondContact O-N 3.23Å; F414-G481 WeakPolarHBondContact O-CA 3.44Å; F414-V504 HydrophobicContact CB-CB 4.02Å; F414-V504 HydrophobicContact CB-CG1 3.68Å; F414-V504 HydrophobicContact CB-CG2 3.86Å; F414-V504 HydrophobicContact CD2-CG1 3.84Å; F414-V504 HydrophobicContact CG-CG1 3.94Å; F414-V504 HydrophobicContact CG-CG2 4.19Å; F414-I554 HydrophobicContact CD2-CG2 4.02Å; F414-I554 HydrophobicContact CE2-CG2 3.45Å; F414-I554 VanDerWaalsContact CE2-CG2 3.45Å; F414-I554 HydrophobicContact CZ-CG2 3.81Å; F414-H557 HydrophobicContact CD1-CB 3.79Å; F414-H557 HydrophobicContact CE1-CB 3.9Å; F414-H557 WeakPolarHBondContact CE1-O 3.46Å; F414-E558 WeakPolarHBondContact CD1-O 3.36Å; F414-P559 HydrophobicContact CD1-CB 4.38Å; F414-P559 HydrophobicContact CE1-CB 3.72Å; F414-P559 HydrophobicContact CE1-CG 4.43Å; F414-P559 HydrophobicContact CZ-CB 3.86Å; F414-V571 HydrophobicContact CE2-CG1 4.28Å
415Q70.8Confident61.6Low68 Ų6872 Ų7232%0.31839%0.385SS..SBendtrans-73.6131.3169.5-85.9179.33.400109.7S109 V411S109-Q415 PolarHBondContact O-NE2 3.47Å; V411-Q415 HydrophobicContact CG1-CG 4.11Å; V411-Q415 WeakPolarHBondContact O-CG 3.31Å; V411-Q415 PolarHBondContact O-N 3.42Å
416P60Low58.7Low48 Ų4879.2 Ų79.231%0.31242%0.423SS..PPolyproline II helixtrans-63.7136.4171.925.3-32000109.8K418 P500P416-K418 PolarHBondContact O-N 2.96Å; P416-K418 VanDerWaalsContact O-N 3.12Å; P416-P500 WeakPolarHBondContact CD-O 3.17Å; P416-P500 HydrophobicContact CG-CB 4.45Å; P416-P500 HydrophobicContact CG-CG 4.42Å; P416-P500 WeakPolarHBondContact CG-O 3.28Å
417E57Low55.6Low155 Ų15584.8 Ų84.872%0.72446%0.462SS*.PPolyproline II helixtrans-61.2118171.8-167.6168.1-169.600107.5E419E417-E419 VanDerWaalsContact C-N 3.28Å; E417-E419 PolarHBondContact O-N 3.38Å
418K48.2Very low52.7Low174 Ų17489.4 Ų89.476%0.75749%0.489SS*.  trans-69.493173.8-72.2-178.3-178.21740107P416 K420P416-K418 PolarHBondContact O-N 2.96Å; P416-K418 VanDerWaalsContact O-N 3.12Å; K418-K420 PolarHBondContact O-N 3.41Å
419E33.8Very low50Low169 Ų16995.8 Ų95.879%0.7953%0.529SS*.  trans-51117.7168.6-78.9-173156.300108.2E417 T421E417-E419 VanDerWaalsContact C-N 3.28Å; E417-E419 PolarHBondContact O-N 3.38Å; E419-T421 PolarHBondContact O-N 3.4Å
420K30.7Very low47Very low149 Ų149100.7 Ų100.765%0.64856%0.563SS**  trans-65.189165.8-70.1174.7-178.1169.80106.5D26 K418 S422D26-K420 IonicContact OD1-NZ 2.57Å; D26-K420 PolarHBondContact OD1-NZ 3.43Å; D26-K420 IonicContact OD2-NZ 3.32Å; D26-K420 PolarHBondContact OD2-NZ 2.66Å; K418-K420 PolarHBondContact O-N 3.41Å; K420-S422 VanDerWaalsContact C-N 3.29Å; K420-S422 PolarHBondContact O-N 2.88Å
421T29Very low44.2Very low138 Ų138106.1 Ų106.185%0.84760%0.598SS**  trans-65.693.7166.2-33.80000107.3E419E419-T421 PolarHBondContact O-N 3.4Å
422S30.4Very low41.4Very low113 Ų113113.1 Ų113.179%0.7964%0.635SS**SBendtrans14380.5157.3-167.10000111.3K420K420-S422 VanDerWaalsContact C-N 3.29Å; K420-S422 PolarHBondContact O-N 2.88Å
423S28Very low38.9Very low108 Ų108117.1 Ų117.176%0.75566%0.661SS**SBendtrans-176.439.7149.558.40000112.9
424K28.5Very low36.2Very low210 Ų210123.3 Ų123.391%0.91370%0.696SS**SBendtrans-143.418.6166.2-93.8-169.4-177.1177.30113.9
425A27.6Very low33.8Very low91 Ų91133.9 Ų133.975%0.75274%0.737SS**SBendtrans-113.278.4163.200000107
426N28.2Very low31.6Very low152 Ų152137.8 Ų137.881%0.81376%0.76SS**  trans17763158.3-87.5-9.2000108.2
427S27Very low30.1Very low116 Ų116141.3 Ų141.381%0.81178%0.783SS**  trans-113.363.9148.761.90000107.1T429S427-T429 PolarHBondContact O-N 3.45Å
428T27.1Very low28.5Very low106 Ų106143 Ų14365%0.6579%0.791SS**  trans-66.7108.6159.616.30000107.3S430T428-S430 PolarHBondContact O-N 2.8Å
429T29.8Very low27.7Very low134 Ų134139.6 Ų139.682%0.82279%0.787SS**  trans21.1102.3136.4-17.80000115S427S427-T429 PolarHBondContact O-N 3.45Å
430S23.2Very low27.2Very low105 Ų105136.9 Ų136.973%0.73479%0.786SS**  trans-108.8127.4155.8-69.10000108.3T428 N432T428-S430 PolarHBondContact O-N 2.8Å; S430-N432 PolarHBondContact O-N 3.18Å
431P27.7Very low27.4Very low113 Ų113134.6 Ų134.673%0.73479%0.787SS**  trans-76112.1175.430.1-28.7000108.5T433P431-T433 PolarHBondContact O-N 2.89Å
432N25.4Very low27.1Very low166 Ų166136.9 Ų136.989%0.88879%0.788SS**  trans-79.693.8165.1-88.3-12.1000108.8S430S430-N432 PolarHBondContact O-N 3.18Å
433T25.8Very low26.8Very low117 Ų117135.6 Ų135.672%0.71878%0.784SS**  trans-91116.8152.131.90000108.6P431P431-T433 PolarHBondContact O-N 2.89Å
434N24.9Very low26.5Very low154 Ų154135.6 Ų135.682%0.82478%0.784SS**  trans162.691.1136-82.7-8.2000109.8
435Y27Very low26.4Very low226 Ų226134.2 Ų134.289%0.88678%0.781SS**  trans-125.5116155.2-141.5-89.5000107P437Y435-P437 WeakPolarHBondContact O-CD 3.38Å
436N23.5Very low26.1Very low150 Ų150134.5 Ų134.580%0.80278%0.777SS**  trans-74.1136.6172.3-77.6-13.2000109.5
437P28.6Very low25.9Very low122 Ų122135.8 Ų135.879%0.79278%0.778SS**  trans-121.4129.9151.230.2-14.5000110.9Y435Y435-P437 WeakPolarHBondContact O-CD 3.38Å
438E23.8Very low25.7Very low191 Ų191137.2 Ų137.289%0.89378%0.775SS**  trans-97.6165.4165.9-119.6-175.8-161.400109.1
439P32.2Very low25.5Very low102 Ų102139.7 Ų139.766%0.66278%0.783SS**  -119.9153.1-97.237.8-26.5000117
440S22Very low25.2Very low111 Ų111137.7 Ų137.778%0.77678%0.78SS**  trans66.5167.3140.777.10000120.9
441P35.7Very low25.4Very low101 Ų101142.1 Ų142.166%0.65679%0.789SS**  cis-132.9-174.2-8.330.8-7.7000115
442E22.4Very low25.2Very low187 Ų187144 Ų14487%0.87479%0.793SS**  trans88.1131.3161.2-55.9177.4-172.100116.4
443A24.4Very low25.6Very low85 Ų85141.5 Ų141.570%0.70279%0.788SS**  cis-160159.65.500000109.3
444S22.1Very low25.6Very low109 Ų109139.5 Ų139.576%0.76279%0.791SS**  trans40130.5145-45.90000119.4
445E25.4Very low25.7Very low181 Ų181140.8 Ų140.885%0.84679%0.792SS**  cis-178.8141.747-128.9165.5-173.200109.8
446S22.2Very low26Very low96 Ų96136.8 Ų136.867%0.67179%0.785SS**  trans-3.6156.4156.557.30000126.9
447Q23.7Very low26Very low180 Ų180138.4 Ų138.484%0.84179%0.785SS**  trans93.6115.4154.1-67.7175.5-700117.8
448I22.4Very low25.9Very low145 Ų145140.8 Ų140.874%0.74479%0.786SS**  85.3115.353.6-65.9-177.5000114.5
449I22.8Very low26.2Very low159 Ų159141.4 Ų141.482%0.81578%0.781SS**  trans93.4131.8150.9-72.7161.1000121.9
450A23.2Very low26.3Very low91 Ų91143 Ų14375%0.75278%0.78SS**  trans104.7129.5143.400000120
451Q29Very low27.1Very low198 Ų198140.3 Ų140.393%0.92576%0.761SS**  trans-51.8142.2169.5-68.4160.4-68.300112.1
452D23.5Very low27.4Very low153 Ų153143.4 Ų143.482%0.81877%0.765SS**  trans-146.1133.9137.7-152.81.4000110.9
453S33.2Very low28.7Very low113 Ų113137.8 Ų137.879%0.7975%0.746SS**  trans-73.6123.6169.537.60000109.2
454G24.8Very low29.7Very low76 Ų76137.7 Ų137.778%0.78473%0.734SS**  trans-162130.2177.100000112.4
455E26.9Very low30.7Very low181 Ų181136.8 Ų136.885%0.84672%0.716SS**  trans-54.5153.2-178.5-69.3171.1125.100115.7
456L34.1Very low32Very low141 Ų141132.9 Ų132.974%0.73870%0.701SS**  trans41.3114.8145.8-82138.9000119.4
457K23.6Very low33.2Very low185 Ų185133.7 Ų133.780%0.80469%0.694SS**  trans-136.599.3139.3-78.4-170.5179172.10110.9
458E27.2Very low34.5Very low171 Ų171129.9 Ų129.980%0.79968%0.678SS**  trans-71.5117163.1-165166.8-155.500107.8E460E458-E460 PolarHBondContact O-N 3.32Å
459Y29Very low35.7Very low204 Ų204127 Ų12780%0.867%0.667SS**  trans-86.6101.1173.5-91.1-91.5000108.7S461Y459-S461 PolarHBondContact O-N 3.48Å
460E34.6Very low37Very low136 Ų136125.3 Ų125.364%0.63666%0.656SS**  trans-66.197.5167.5-72.9-173.5120.700109.9E458 K465E458-E460 PolarHBondContact O-N 3.32Å; E460-K465 VanDerWaalsContact CD-NZ 3.33Å; E460-K465 WeakPolarHBondContact OE1-CE 3.48Å; E460-K465 IonicContact OE1-NZ 3.3Å; E460-K465 WeakPolarHBondContact OE2-CE 3.31Å; E460-K465 IonicContact OE2-NZ 3.81Å; E460-K465 PolarHBondContact OE2-NZ 3.26Å
461S39.7Very low38.1Very low55 Ų55127.5 Ų127.539%0.38565%0.653SS.*  trans-63.9134.1172.4174.80000110.4Y459 S463 D464 K465Y459-S461 PolarHBondContact O-N 3.48Å; S461-S463 PolarHBondContact O-N 3.24Å; S461-S463 VanDerWaalsContact O-N 3.14Å; S461-S463 PolarHBondContact OG-N 3.07Å; S461-D464 PolarHBondContact O-N 2.85Å; S461-K465 PolarHBondContact O-N 2.96Å
462F41.5Very low38.7Very low166 Ų166123.6 Ų123.673%0.72863%0.634SS**Hα-helixtrans-57.8-25.8173.2-170.4-98.2000111.9L466F462-L466 HydrophobicContact CE1-CD1 4.21Å; F462-L466 WeakPolarHBondContact O-CB 3.48Å; F462-L466 PolarHBondContact O-N 2.67Å
463S49.8Very low39.4Very low69 Ų69123.2 Ų123.248%0.48363%0.625SS.*Hα-helixtrans-71.2-38173.7-1710000112.4S461 L466 Q467S461-S463 PolarHBondContact O-N 3.24Å; S461-S463 VanDerWaalsContact O-N 3.14Å; S461-S463 PolarHBondContact OG-N 3.07Å; S463-L466 PolarHBondContact O-N 3.23Å; S463-Q467 WeakPolarHBondContact O-CB 3.33Å; S463-Q467 WeakPolarHBondContact O-CG 3.46Å; S463-Q467 PolarHBondContact O-N 2.96Å
464D45.9Very low39.8Very low83 Ų83122.5 Ų122.544%0.44462%0.616SS.*Hα-helixtrans-70.8-39173.7-74-32.9000110.2S461 L466 Q467 L468S461-D464 PolarHBondContact O-N 2.85Å; D464-L466 VanDerWaalsContact C-N 3.32Å; D464-L466 PolarHBondContact O-N 3.32Å; D464-Q467 PolarHBondContact O-N 3.22Å; D464-L468 WeakPolarHBondContact O-CA 3.47Å; D464-L468 WeakPolarHBondContact O-CB 3.42Å; D464-L468 WeakPolarHBondContact O-CD1 3.35Å; D464-L468 WeakPolarHBondContact O-CG 3.43Å; D464-L468 PolarHBondContact O-N 3.36Å
465K42.9Very low40.5Very low90 Ų90129.3 Ų129.339%0.39162%0.618SS.*Hα-helixtrans-63-37.5170.6-76.1-171.3173.4173.80112.3E460 S461 V469E460-K465 VanDerWaalsContact CD-NZ 3.33Å; E460-K465 WeakPolarHBondContact OE1-CE 3.48Å; E460-K465 IonicContact OE1-NZ 3.3Å; E460-K465 WeakPolarHBondContact OE2-CE 3.31Å; E460-K465 IonicContact OE2-NZ 3.81Å; E460-K465 PolarHBondContact OE2-NZ 3.26Å; S461-K465 PolarHBondContact O-N 2.96Å; K465-V469 WeakPolarHBondContact O-CB 3.31Å; K465-V469 WeakPolarHBondContact O-CG2 3.22Å; K465-V469 PolarHBondContact O-N 3.16Å
466L52.1Low41.2Very low99 Ų99128.4 Ų128.452%0.51861%0.614SS.*Hα-helixtrans-69.1-42.2176.5-150.183.2000111.3F462 S463 D464 V469 E470F462-L466 HydrophobicContact CE1-CD1 4.21Å; F462-L466 WeakPolarHBondContact O-CB 3.48Å; F462-L466 PolarHBondContact O-N 2.67Å; S463-L466 PolarHBondContact O-N 3.23Å; D464-L466 VanDerWaalsContact C-N 3.32Å; D464-L466 PolarHBondContact O-N 3.32Å; L466-V469 PolarHBondContact O-N 3.24Å; L466-E470 WeakPolarHBondContact O-CB 3.39Å; L466-E470 PolarHBondContact O-N 3.35Å
467Q48.5Very low41.8Very low112 Ų112129.2 Ų129.252%0.52361%0.607SS.*Hα-helixtrans-68.3-36.8175.1-81.5-176.3-19.900112.5S463 D464 E470 M471S463-Q467 WeakPolarHBondContact O-CB 3.33Å; S463-Q467 WeakPolarHBondContact O-CG 3.46Å; S463-Q467 PolarHBondContact O-N 2.96Å; D464-Q467 PolarHBondContact O-N 3.22Å; Q467-E470 PolarHBondContact O-N 3.36Å; Q467-M471 WeakPolarHBondContact O-CA 3.48Å; Q467-M471 WeakPolarHBondContact O-CB 3.29Å; Q467-M471 WeakPolarHBondContact O-CG 3.44Å; Q467-M471 PolarHBondContact O-N 3.05Å
468L49Very low43.3Very low100 Ų100122.7 Ų122.752%0.52459%0.585SS.*Hα-helixtrans-71.6-35.3174.3-73.4168.1000111.2D464 Q472D464-L468 WeakPolarHBondContact O-CA 3.47Å; D464-L468 WeakPolarHBondContact O-CB 3.42Å; D464-L468 WeakPolarHBondContact O-CD1 3.35Å; D464-L468 WeakPolarHBondContact O-CG 3.43Å; D464-L468 PolarHBondContact O-N 3.36Å; L468-Q472 WeakPolarHBondContact O-CA 3.49Å; L468-Q472 WeakPolarHBondContact O-CB 3.29Å; L468-Q472 VanDerWaalsContact O-CG 3.29Å; L468-Q472 WeakPolarHBondContact O-CG 3.47Å; L468-Q472 PolarHBondContact O-N 2.96Å
469V49.2Very low44.9Very low84 Ų84117.3 Ų117.351%0.50957%0.569SS.*Hα-helixtrans-71-37.4171.9167.60000110.6K465 L466 K473K465-V469 WeakPolarHBondContact O-CB 3.31Å; K465-V469 WeakPolarHBondContact O-CG2 3.22Å; K465-V469 PolarHBondContact O-N 3.16Å; L466-V469 PolarHBondContact O-N 3.24Å; V469-K473 WeakPolarHBondContact O-CB 3.34Å; V469-K473 PolarHBondContact O-N 2.95Å
470E50Low46.4Very low125 Ų125108.8 Ų108.858%0.58454%0.539SS*.Hα-helixtrans-71.3-39.7175.8-160165.9-146.100110.6L466 Q467 K473 T474L466-E470 WeakPolarHBondContact O-CB 3.39Å; L466-E470 PolarHBondContact O-N 3.35Å; Q467-E470 PolarHBondContact O-N 3.36Å; E470-K473 PolarHBondContact O-N 3.44Å; E470-T474 VanDerWaalsContact O-CB 3.25Å; E470-T474 WeakPolarHBondContact O-CB 3.21Å; E470-T474 PolarHBondContact O-N 2.91Å; E470-T474 PolarHBondContact O-OG1 3.3Å
471M46.1Very low47.6Very low137 Ų137102.4 Ų102.468%0.67551%0.51SS*.Hα-helixtrans-68.2-39170.1-82-161141.600112.5Q467 T474 R475Q467-M471 WeakPolarHBondContact O-CA 3.48Å; Q467-M471 WeakPolarHBondContact O-CB 3.29Å; Q467-M471 WeakPolarHBondContact O-CG 3.44Å; Q467-M471 PolarHBondContact O-N 3.05Å; M471-T474 CarbonylContact O-C 3.6Å; M471-T474 PolarHBondContact O-N 2.94Å; M471-R475 WeakPolarHBondContact O-CB 3.42Å; M471-R475 PolarHBondContact O-N 3.15Å
472Q41.1Very low49Very low115 Ų115102.2 Ų102.254%0.53751%0.506SS..Hα-helixtrans-66.8-42173.8-87.6-179.9-67.500110.5L468 T474 R475 E476L468-Q472 WeakPolarHBondContact O-CA 3.49Å; L468-Q472 WeakPolarHBondContact O-CB 3.29Å; L468-Q472 VanDerWaalsContact O-CG 3.29Å; L468-Q472 WeakPolarHBondContact O-CG 3.47Å; L468-Q472 PolarHBondContact O-N 2.96Å; Q472-T474 VanDerWaalsContact C-N 3.27Å; Q472-T474 PolarHBondContact O-N 3.33Å; Q472-R475 CarbonylContact O-C 3.41Å; Q472-R475 PolarHBondContact O-N 3.47Å; Q472-R475 VanDerWaalsContact O-N 3.12Å; Q472-E476 WeakPolarHBondContact O-CB 3.36Å; Q472-E476 WeakPolarHBondContact O-CG 3.45Å; Q472-E476 PolarHBondContact O-N 3.26Å
473K39.3Very low50.3Low146 Ų14695.3 Ų95.364%0.63548%0.477SS*.Hα-helixtrans-66.9-30174.7-168.2175.9-172.6177.40112.4V469 E470 R477V469-K473 WeakPolarHBondContact O-CB 3.34Å; V469-K473 PolarHBondContact O-N 2.95Å; E470-K473 PolarHBondContact O-N 3.44Å; K473-R477 PolarHBondContact O-N 3.05Å
474T41.2Very low51.5Low97 Ų9794.3 Ų94.360%0.59546%0.464SS*.Hα-helixtrans-79.4-25.8172.2-50.70000111.9E470 M471 Q472E470-T474 VanDerWaalsContact O-CB 3.25Å; E470-T474 WeakPolarHBondContact O-CB 3.21Å; E470-T474 PolarHBondContact O-N 2.91Å; E470-T474 PolarHBondContact O-OG1 3.3Å; M471-T474 CarbonylContact O-C 3.6Å; M471-T474 PolarHBondContact O-N 2.94Å; Q472-T474 VanDerWaalsContact C-N 3.27Å; Q472-T474 PolarHBondContact O-N 3.33Å
475R38.6Very low52.2Low219 Ų21993.6 Ų93.683%0.82647%0.47SS*.Hα-helixtrans-84.1-26.1174.4-167.3177.1-173.7-178.22.1112.5M471 Q472 R477M471-R475 WeakPolarHBondContact O-CB 3.42Å; M471-R475 PolarHBondContact O-N 3.15Å; Q472-R475 CarbonylContact O-C 3.41Å; Q472-R475 PolarHBondContact O-N 3.47Å; Q472-R475 VanDerWaalsContact O-N 3.12Å; R475-R477 VanDerWaalsContact C-N 3.32Å
476E41.8Very low53.5Low162 Ų16299.1 Ų99.176%0.75749%0.488SS*.SBendtrans-74.2-22.6168.7-79.4-179.3172.900112.1Q472Q472-E476 WeakPolarHBondContact O-CB 3.36Å; Q472-E476 WeakPolarHBondContact O-CG 3.45Å; Q472-E476 PolarHBondContact O-N 3.26Å
477R46.2Very low54.2Low159 Ų15999.1 Ų99.160%0.648%0.481SS*.SBendtrans-85.5105.4160.6-91.1-179.5169.8-179.3-3.8107.8K473 R475K473-R477 PolarHBondContact O-N 3.05Å; R475-R477 VanDerWaalsContact C-N 3.32Å
478S55.8Low55.1Low48 Ų4899.3 Ų99.334%0.33648%0.482SS..PPolyproline II helixtrans-52.9146175.6-780000110.9E558S478-E558 WeakPolarHBondContact CB-OE2 3.26Å; S478-E558 PolarHBondContact N-OE2 3.4Å
479A60.1Low55.8Low57 Ų5799.4 Ų99.447%0.47149%0.489SS..PPolyproline II helixtrans-55.7140.6179.800000110.5G481 V482A479-G481 PolarHBondContact O-N 3.45Å; A479-V482 HydrophobicContact CB-CG2 4.09Å; A479-V482 WeakPolarHBondContact O-CB 3.36Å; A479-V482 VanDerWaalsContact O-CG2 3.32Å; A479-V482 WeakPolarHBondContact O-CG2 3.48Å; A479-V482 PolarHBondContact O-N 2.88Å; A479-V482 VanDerWaalsContact O-N 3.12Å
480P60.7Low56.7Low25 Ų25104.2 Ų104.216%0.16250%0.499CS..THydrogen-bonded Turntrans-56.9135.4179.819-28000110.8H560P480-H560 HydrophobicContact CB-CB 3.96Å
481G59.5Low57.6Low3 Ų3100.1 Ų100.13%0.03148%0.481CS..THydrogen-bonded Turntrans87.83.7-175.600000115.6F414 A479 H557 E558F414-G481 WeakPolarHBondContact O-CA 3.44Å; A479-G481 PolarHBondContact O-N 3.45Å; G481-H557 PolarHBondContact O-CD2 3.23Å; G481-E558 PolarHBondContact N-O 2.97Å
482V68.9Low58.3Low50 Ų5095 Ų9530%0.30346%0.463SS..SBendtrans-89.2152.9168.9-179.40000110.4A479 P500 H557 E558A479-V482 HydrophobicContact CB-CG2 4.09Å; A479-V482 WeakPolarHBondContact O-CB 3.36Å; A479-V482 VanDerWaalsContact O-CG2 3.32Å; A479-V482 WeakPolarHBondContact O-CG2 3.48Å; A479-V482 PolarHBondContact O-N 2.88Å; A479-V482 VanDerWaalsContact O-N 3.12Å; V482-P500 HydrophobicContact CG2-CB 4.34Å; V482-H557 CarbonylContact O-C 3.35Å; V482-H557 WeakPolarHBondContact O-CA 3.34Å; V482-E558 PolarHBondContact O-N 3.36Å
483L69.3Low59.4Low21 Ų21101.4 Ų101.411%0.1148%0.483CS..BIsolated β-bridgetrans-64.8138176.7-128.2104.1000111A485 W487 L491 L495L483-A485 PolarHBondContact O-N 2.88Å; L483-W487 VanDerWaalsContact CD2-C 3.43Å; L483-W487 HydrophobicContact CD2-CB 3.65Å; L483-W487 WeakPolarHBondContact CD2-O 3.18Å; L483-L491 HydrophobicContact CD1-CB 4.35Å; L483-L491 HydrophobicContact CD2-CB 3.65Å; L483-L495 HydrophobicContact CD1-CD2 3.74Å
484K74.9Confident60.7Low49 Ų49101.3 Ų101.321%0.21349%0.488CS..PPolyproline II helixtrans-60.2138.1172.5-74.7169179.9166.90109.8R486 W487 E488 Y555 A556 H557 E558K484-R486 PolarHBondContact O-N 3.39Å; K484-W487 PolarHBondContact O-N 2.96Å; K484-E488 PolarHBondContact O-N 3.31Å; K484-Y555 WeakPolarHBondContact CE-O 3.42Å; K484-Y555 PolarHBondContact NZ-O 3.07Å; K484-A556 VanDerWaalsContact CB-O 3.31Å; K484-A556 WeakPolarHBondContact CB-O 3.47Å; K484-A556 VanDerWaalsContact CG-O 3.31Å; K484-A556 WeakPolarHBondContact CG-O 3.43Å; K484-A556 PolarHBondContact N-O 3.36Å; K484-H557 WeakPolarHBondContact CE-O 3.22Å; K484-E558 HydrophobicContact CB-CG 4.45Å; K484-E558 HydrophobicContact CG-CG 3.55Å
485A61.1Low61.8Low68 Ų6897.8 Ų97.856%0.56247%0.466SS*.THydrogen-bonded Turntrans-51.6-27.8-179.100000114.5L483 W487L483-A485 PolarHBondContact O-N 2.88Å; A485-W487 VanDerWaalsContact C-N 3.35Å; A485-W487 PolarHBondContact O-N 2.93Å
486R70.4Confident62.7Low205 Ų20590.1 Ų90.177%0.77445%0.454SS*.THydrogen-bonded Turntrans-67.9-30.2176.5-173.4175.1179.2179.60.6113.9K484K484-R486 PolarHBondContact O-N 3.39Å
487W66.4Low63.6Low100 Ų10090.4 Ų90.438%0.37946%0.461SS..THydrogen-bonded Turntrans-103.4-13-174.3-65.1105.8000113.1L483 K484 A485 P489 Y490 L491 A556L483-W487 VanDerWaalsContact CD2-C 3.43Å; L483-W487 HydrophobicContact CD2-CB 3.65Å; L483-W487 WeakPolarHBondContact CD2-O 3.18Å; K484-W487 PolarHBondContact O-N 2.96Å; A485-W487 VanDerWaalsContact C-N 3.35Å; A485-W487 PolarHBondContact O-N 2.93Å; W487-P489 VanDerWaalsContact C-N 3.32Å; W487-Y490 PolarHBondContact O-N 3.03Å; W487-L491 HydrophobicContact CE3-CD1 4.25Å; W487-L491 PolarHBondContact O-N 3.1Å; W487-A556 HydrophobicContact CB-CB 4.35Å; W487-A556 HydrophobicContact CG-CB 4.09Å
488E67.7Low64.4Low115 Ų11587.9 Ų87.954%0.53746%0.455SS..Hα-helixtrans-50.8-40.7177.1-159.1171.2-175.900113.7K484 Y490 G492K484-E488 PolarHBondContact O-N 3.31Å; E488-Y490 VanDerWaalsContact C-N 3.3Å; E488-Y490 PolarHBondContact O-N 3.2Å; E488-G492 VanDerWaalsContact O-CA 3.29Å; E488-G492 WeakPolarHBondContact O-CA 3.37Å; E488-G492 PolarHBondContact O-N 3.14Å
489P62.6Low64.9Low102 Ų10291.1 Ų91.166%0.66247%0.465SS*.Hα-helixtrans-67.3-26.9178-17.530.3000114.2W487W487-P489 VanDerWaalsContact C-N 3.32Å
490Y69.6Low65Low185 Ų18591.9 Ų91.973%0.72547%0.465SS*.Hα-helixtrans-97.7-43.4-173.5-67.4-80.1000112.5W487 E488W487-Y490 PolarHBondContact O-N 3.03Å; E488-Y490 VanDerWaalsContact C-N 3.3Å; E488-Y490 PolarHBondContact O-N 3.2Å
491L67.8Low65.4Low39 Ų3991.3 Ų91.320%0.20446%0.463CS..Hα-helixtrans-99.2-18.2-176.9-8890.9000113.4L483 W487 R493 L494 L495 V553L483-L491 HydrophobicContact CD1-CB 4.35Å; L483-L491 HydrophobicContact CD2-CB 3.65Å; W487-L491 HydrophobicContact CE3-CD1 4.25Å; W487-L491 PolarHBondContact O-N 3.1Å; L491-R493 PolarHBondContact O-N 3.03Å; L491-L494 PolarHBondContact O-N 2.94Å; L491-L495 HydrophobicContact CB-CD1 4.36Å; L491-L495 HydrophobicContact CD2-CD1 4.03Å; L491-L495 HydrophobicContact CD2-CD2 3.96Å; L491-L495 HydrophobicContact CG-CD1 4.42Å; L491-L495 PolarHBondContact O-N 3.44Å; L491-V553 HydrophobicContact CD2-CG2 4.41Å
492G61.4Low66.1Low30 Ų3094.6 Ų94.631%0.30948%0.478SS..Hα-helixtrans-60-30.9-17800000113.5E488 L494 G496E488-G492 VanDerWaalsContact O-CA 3.29Å; E488-G492 WeakPolarHBondContact O-CA 3.37Å; E488-G492 PolarHBondContact O-N 3.14Å; G492-L494 VanDerWaalsContact C-N 3.35Å; G492-L494 PolarHBondContact O-N 3.12Å; G492-G496 VanDerWaalsContact O-CA 3.3Å; G492-G496 WeakPolarHBondContact O-CA 3.12Å; G492-G496 PolarHBondContact O-N 3.49Å
493R64.5Low66.8Low250 Ų25093 Ų9394%0.94347%0.468SS*.Hα-helixtrans-72.9-24.7176.9-161177.7-166172.94.9113.8L491L491-R493 PolarHBondContact O-N 3.03Å
494L65.1Low67.3Low143 Ų14392 Ų9275%0.74946%0.463SS*.Hα-helixtrans-97.7-30-178-16290.4000111.9L491 G492L491-L494 PolarHBondContact O-N 2.94Å; G492-L494 VanDerWaalsContact C-N 3.35Å; G492-L494 PolarHBondContact O-N 3.12Å
495L64.9Low67.6Low24 Ų2492 Ų9213%0.12647%0.472CS..Hα-helixtrans-109.7-1-173.6-81.369.3000113.8L483 L491 D497 F498 V503 V553L483-L495 HydrophobicContact CD1-CD2 3.74Å; L491-L495 HydrophobicContact CB-CD1 4.36Å; L491-L495 HydrophobicContact CD2-CD1 4.03Å; L491-L495 HydrophobicContact CD2-CD2 3.96Å; L491-L495 HydrophobicContact CG-CD1 4.42Å; L491-L495 PolarHBondContact O-N 3.44Å; L495-D497 VanDerWaalsContact C-N 3.26Å; L495-D497 PolarHBondContact O-N 2.95Å; L495-F498 PolarHBondContact O-N 3.33Å; L495-V503 HydrophobicContact CD2-CB 4.47Å; L495-V503 HydrophobicContact CD2-CG1 3.48Å; L495-V503 VanDerWaalsContact CD2-CG1 3.48Å; L495-V503 HydrophobicContact CD2-CG2 4.33Å; L495-V503 HydrophobicContact CG-CG1 4.12Å; L495-V503 HydrophobicContact CG-CG2 4.4Å; L495-V553 HydrophobicContact CD2-CG1 4.4Å
496G57.8Low68.8Low57 Ų5794.7 Ų94.759%0.58847%0.471SS*.THydrogen-bonded Turntrans-66.5-17.6-170.600000116.3G492G492-G496 VanDerWaalsContact O-CA 3.3Å; G492-G496 WeakPolarHBondContact O-CA 3.12Å; G492-G496 PolarHBondContact O-N 3.49Å
497D61.7Low69.6Low168 Ų16885.6 Ų85.690%0.89844%0.439SS*.THydrogen-bonded Turntrans-88-6-178.2-65.2-32.1000113.9L495L495-D497 VanDerWaalsContact C-N 3.26Å; L495-D497 PolarHBondContact O-N 2.95Å
498F62.9Low70.6Confident107 Ų10781.3 Ų81.347%0.46942%0.424SS..SBendtrans-97144.8-174.7-70.6-84.2000113.1L495 V503 F506L495-F498 PolarHBondContact O-N 3.33Å; F498-V503 HydrophobicContact CB-CG2 3.46Å; F498-V503 VanDerWaalsContact CB-CG2 3.46Å; F498-V503 HydrophobicContact CD2-CG2 4.2Å; F498-V503 HydrophobicContact CG-CG2 3.9Å; F498-F506 HydrophobicContact CE1-CE2 4.33Å
499E65.5Low71.7Confident116 Ų11681 Ų8154%0.54243%0.425SS..PPolyproline II helixtrans-64.1146.8173.2-69.8-171163.500111G501 E502E499-G501 PolarHBondContact O-N 2.93Å; E499-E502 HydrophobicContact CB-CG 4.06Å; E499-E502 PolarHBondContact O-N 3.47Å; E499-E502 VanDerWaalsContact O-N 3.09Å
500P63Low73Confident73 Ų7377.9 Ų77.947%0.47441%0.408SS..THydrogen-bonded Turntrans-57.8124.8178.922.1-31.7000110.9P416 V482P416-P500 WeakPolarHBondContact CD-O 3.17Å; P416-P500 HydrophobicContact CG-CB 4.45Å; P416-P500 HydrophobicContact CG-CG 4.42Å; P416-P500 WeakPolarHBondContact CG-O 3.28Å; V482-P500 HydrophobicContact CG2-CB 4.34Å
501G67.8Low74.1Confident12 Ų1269.1 Ų69.112%0.12437%0.374CS..THydrogen-bonded Turntrans94.2-21.5-177.400000116.1E499 V504 A505E499-G501 PolarHBondContact O-N 2.93Å; G501-V504 PolarHBondContact O-N 3.35Å; G501-A505 PolarHBondContact O-N 3.23Å; G501-A505 VanDerWaalsContact O-N 3.1Å
502E75.9Confident75.2Confident72 Ų7268.9 Ų68.934%0.33637%0.372SS..Hα-helixtrans-66.5-43.3176.6-74.8-168.115000111.6E499 V504 A505 F506E499-E502 HydrophobicContact CB-CG 4.06Å; E499-E502 PolarHBondContact O-N 3.47Å; E499-E502 VanDerWaalsContact O-N 3.09Å; E502-V504 PolarHBondContact O-N 2.89Å; E502-A505 WeakPolarHBondContact O-CB 3.46Å; E502-A505 PolarHBondContact O-N 2.94Å; E502-A505 VanDerWaalsContact O-N 3.1Å; E502-F506 HydrophobicContact CB-CE2 4.43Å; E502-F506 WeakPolarHBondContact O-CD2 3.22Å; E502-F506 PolarHBondContact O-N 2.87Å
503V81.6Confident76.7Confident17 Ų1771.5 Ų71.510%0.10338%0.382CS..Hα-helixtrans-55.1-41.2174.6-179.70000111L495 F498 F506 S507 V553L495-V503 HydrophobicContact CD2-CB 4.47Å; L495-V503 HydrophobicContact CD2-CG1 3.48Å; L495-V503 VanDerWaalsContact CD2-CG1 3.48Å; L495-V503 HydrophobicContact CD2-CG2 4.33Å; L495-V503 HydrophobicContact CG-CG1 4.12Å; L495-V503 HydrophobicContact CG-CG2 4.4Å; F498-V503 HydrophobicContact CB-CG2 3.46Å; F498-V503 VanDerWaalsContact CB-CG2 3.46Å; F498-V503 HydrophobicContact CD2-CG2 4.2Å; F498-V503 HydrophobicContact CG-CG2 3.9Å; V503-F506 PolarHBondContact O-N 2.85Å; V503-S507 VanDerWaalsContact O-CB 3.3Å; V503-S507 WeakPolarHBondContact O-CB 3.42Å; V503-S507 PolarHBondContact O-N 3.21Å; V503-S507 PolarHBondContact O-OG 3.31Å; V503-V553 HydrophobicContact CG1-CG1 4.12Å
504V81.2Confident78.1Confident1 Ų159.8 Ų59.81%0.00634%0.338CS..Hα-helixtrans-68.9-39.9-179.6179.30000110.8I410 F414 G501 E502 S507 V508 I554 H557I410-V504 HydrophobicContact CG2-CG1 4.2Å; F414-V504 HydrophobicContact CB-CB 4.02Å; F414-V504 HydrophobicContact CB-CG1 3.68Å; F414-V504 HydrophobicContact CB-CG2 3.86Å; F414-V504 HydrophobicContact CD2-CG1 3.84Å; F414-V504 HydrophobicContact CG-CG1 3.94Å; F414-V504 HydrophobicContact CG-CG2 4.19Å; G501-V504 PolarHBondContact O-N 3.35Å; E502-V504 PolarHBondContact O-N 2.89Å; V504-S507 PolarHBondContact O-N 2.97Å; V504-V508 HydrophobicContact CG1-CG2 4.4Å; V504-V508 VanDerWaalsContact O-CG2 3.3Å; V504-V508 WeakPolarHBondContact O-CG2 3.19Å; V504-V508 PolarHBondContact O-N 2.69Å; V504-I554 HydrophobicContact CG1-CG1 4.39Å; V504-I554 HydrophobicContact CG1-CG2 4.32Å; V504-H557 HydrophobicContact CG2-CB 4.14Å
505A81.4Confident79.4Confident48 Ų4853 Ų5340%0.39730%0.303SS..Hα-helixtrans-61.7-45.6174.400000112.2G501 E502 S507 V508 L509G501-A505 PolarHBondContact O-N 3.23Å; G501-A505 VanDerWaalsContact O-N 3.1Å; E502-A505 WeakPolarHBondContact O-CB 3.46Å; E502-A505 PolarHBondContact O-N 2.94Å; E502-A505 VanDerWaalsContact O-N 3.1Å; A505-S507 VanDerWaalsContact C-N 3.32Å; A505-S507 PolarHBondContact O-N 3.32Å; A505-V508 PolarHBondContact O-N 3.24Å; A505-L509 PolarHBondContact O-N 3.27Å
506F86.3Confident80.7Confident125 Ų12555.1 Ų55.155%0.54832%0.317SS..Hα-helixtrans-63-38.8174.1-73.6-64.1000112.3F498 E502 V503 L509 A510F498-F506 HydrophobicContact CE1-CE2 4.33Å; E502-F506 HydrophobicContact CB-CE2 4.43Å; E502-F506 WeakPolarHBondContact O-CD2 3.22Å; E502-F506 PolarHBondContact O-N 2.87Å; V503-F506 PolarHBondContact O-N 2.85Å; F506-L509 PolarHBondContact O-N 3.04Å; F506-A510 WeakPolarHBondContact O-CB 3.36Å; F506-A510 PolarHBondContact O-N 3.04Å
507S86.4Confident82.3Confident14 Ų1453.9 Ų53.910%0.09830%0.299CS..Hα-helixtrans-65.7-39.6177.1-58.60000111.7V503 V504 A505 A510 V511 V553V503-S507 VanDerWaalsContact O-CB 3.3Å; V503-S507 WeakPolarHBondContact O-CB 3.42Å; V503-S507 PolarHBondContact O-N 3.21Å; V503-S507 PolarHBondContact O-OG 3.31Å; V504-S507 PolarHBondContact O-N 2.97Å; A505-S507 VanDerWaalsContact C-N 3.32Å; A505-S507 PolarHBondContact O-N 3.32Å; S507-A510 WeakPolarHBondContact O-CB 3.21Å; S507-A510 PolarHBondContact O-N 3.44Å; S507-V511 WeakPolarHBondContact O-CG2 3.35Å; S507-V511 PolarHBondContact O-N 3.37Å; S507-V553 WeakPolarHBondContact OG-CG1 3.36Å
508V87.6Confident83.8Confident9 Ų947.2 Ų47.26%0.05526%0.263CS..Hα-helixtrans-63.7-42.3174170.20000111A407 I410 V411 V504 A505 A510 V511 M512 I554A407-V508 HydrophobicContact CB-CG1 3.79Å; I410-V508 HydrophobicContact CB-CG2 3.83Å; I410-V508 HydrophobicContact CD1-CG2 4.3Å; I410-V508 HydrophobicContact CG2-CG2 3.4Å; V411-V508 HydrophobicContact CG2-CB 4.34Å; V411-V508 HydrophobicContact CG2-CG1 4.23Å; V411-V508 HydrophobicContact CG2-CG2 4.14Å; V504-V508 HydrophobicContact CG1-CG2 4.4Å; V504-V508 VanDerWaalsContact O-CG2 3.3Å; V504-V508 WeakPolarHBondContact O-CG2 3.19Å; V504-V508 PolarHBondContact O-N 2.69Å; A505-V508 PolarHBondContact O-N 3.24Å; V508-A510 VanDerWaalsContact C-N 3.31Å; V508-A510 PolarHBondContact O-N 3.48Å; V508-V511 WeakPolarHBondContact O-CB 3.09Å; V508-V511 PolarHBondContact O-N 2.86Å; V508-M512 VanDerWaalsContact O-CG 3.29Å; V508-M512 WeakPolarHBondContact O-CG 3.41Å; V508-M512 PolarHBondContact O-N 2.9Å; V508-I554 HydrophobicContact CG2-CD1 4.05Å
509L89.9Confident85.1Confident108 Ų10842.4 Ų42.457%0.56524%0.243SC*.Hα-helixtrans-61.4-41.5173.8-172.869.6000111.2A505 F506 M512 V513A505-L509 PolarHBondContact O-N 3.27Å; F506-L509 PolarHBondContact O-N 3.04Å; L509-M512 WeakPolarHBondContact O-CB 3.43Å; L509-M512 PolarHBondContact O-N 2.66Å; L509-V513 HydrophobicContact CG-CG2 4.49Å; L509-V513 WeakPolarHBondContact O-CG2 3.34Å; L509-V513 PolarHBondContact O-N 2.81Å
510A90.4Very high86.2Confident38 Ų3838.3 Ų38.331%0.31423%0.229SC..Hα-helixtrans-63.3-39.8175.200000112.2F506 S507 V508 S514F506-A510 WeakPolarHBondContact O-CB 3.36Å; F506-A510 PolarHBondContact O-N 3.04Å; S507-A510 WeakPolarHBondContact O-CB 3.21Å; S507-A510 PolarHBondContact O-N 3.44Å; V508-A510 VanDerWaalsContact C-N 3.31Å; V508-A510 PolarHBondContact O-N 3.48Å; A510-S514 WeakPolarHBondContact O-CB 3.21Å; A510-S514 PolarHBondContact O-N 2.78Å; A510-S514 PolarHBondContact O-OG 3.24Å
511V92.2Very high87.4Confident0 Ų035.6 Ų35.60%021%0.211CC..Hα-helixtrans-58.5-47.5172.1169.10000110.3S507 V508 S514 S515 F547 S550 L551 I554 I579S507-V511 WeakPolarHBondContact O-CG2 3.35Å; S507-V511 PolarHBondContact O-N 3.37Å; V508-V511 WeakPolarHBondContact O-CB 3.09Å; V508-V511 PolarHBondContact O-N 2.86Å; V511-S514 PolarHBondContact O-OG 2.89Å; V511-S514 VanDerWaalsContact O-OG 3.1Å; V511-S515 WeakPolarHBondContact O-CB 3.37Å; V511-S515 PolarHBondContact O-N 3.1Å; V511-S515 PolarHBondContact O-OG 3.22Å; V511-F547 HydrophobicContact CG1-CD2 4.11Å; V511-F547 HydrophobicContact CG1-CE2 3.71Å; V511-S550 WeakPolarHBondContact CG2-OG 3.2Å; V511-L551 HydrophobicContact CG1-CD2 4.43Å; V511-L551 HydrophobicContact CG2-CD2 3.91Å; V511-L551 HydrophobicContact CG2-CG 4.2Å; V511-I554 HydrophobicContact CG2-CD1 3.95Å; V511-I579 HydrophobicContact CG1-CD1 4.31Å
512M91.2Very high88.2Confident35 Ų3540.9 Ų40.917%0.17223%0.231CC..Hα-helixtrans-61.7-52.5179.3-67.8-74.3-66.900111.5T403 A407 V508 L509 S514 S515 V516 I579T403-M512 HydrophobicContact CG2-CE 3.43Å; T403-M512 VanDerWaalsContact CG2-CE 3.43Å; T403-M512 HydrophobicContact CG2-SD 3.54Å; T403-M512 VanDerWaalsContact CG2-SD 3.54Å; A407-M512 HydrophobicContact CB-SD 4.31Å; V508-M512 VanDerWaalsContact O-CG 3.29Å; V508-M512 WeakPolarHBondContact O-CG 3.41Å; V508-M512 PolarHBondContact O-N 2.9Å; L509-M512 WeakPolarHBondContact O-CB 3.43Å; L509-M512 PolarHBondContact O-N 2.66Å; M512-S514 PolarHBondContact O-N 2.98Å; M512-S515 PolarHBondContact O-N 2.72Å; M512-S515 PolarHBondContact O-OG 3.46Å; M512-V516 WeakPolarHBondContact O-CG2 3.46Å; M512-V516 PolarHBondContact O-N 2.87Å; M512-I579 HydrophobicContact SD-CB 4.47Å; M512-I579 HydrophobicContact SD-CD1 3.89Å; M512-I579 HydrophobicContact SD-CG1 4.07Å; M512-I579 HydrophobicContact SD-CG2 3.57Å; M512-I579 VanDerWaalsContact SD-CG2 3.57Å
513V93.1Very high88.6Confident84 Ų8438 Ų3851%0.50922%0.218SC..Hα-helixtrans-65.2-41.5-178.3174.20000112.1L509 V516 S517L509-V513 HydrophobicContact CG-CG2 4.49Å; L509-V513 WeakPolarHBondContact O-CG2 3.34Å; L509-V513 PolarHBondContact O-N 2.81Å; V513-V516 PolarHBondContact O-N 3.45Å; V513-S517 WeakPolarHBondContact O-CB 3.23Å; V513-S517 PolarHBondContact O-N 2.82Å; V513-S517 PolarHBondContact O-OG 3.19Å
514S93.3Very high88.6Confident4 Ų441.2 Ų41.23%0.02823%0.231CC..Hα-helixtrans-67.4-36.4176.660.10000111.8A510 V511 M512 S517 L518 F547A510-S514 WeakPolarHBondContact O-CB 3.21Å; A510-S514 PolarHBondContact O-N 2.78Å; A510-S514 PolarHBondContact O-OG 3.24Å; V511-S514 PolarHBondContact O-OG 2.89Å; V511-S514 VanDerWaalsContact O-OG 3.1Å; M512-S514 PolarHBondContact O-N 2.98Å; S514-S517 PolarHBondContact O-N 3.38Å; S514-L518 WeakPolarHBondContact O-CB 3.41Å; S514-L518 PolarHBondContact O-N 3.23Å; S514-F547 WeakPolarHBondContact OG-CA 3.42Å
515S93.1Very high88.1Confident0 Ų041.3 Ų41.30%023%0.232CC..Hα-helixtrans-65-43.2175.373.70000112.4V511 M512 L518 C519V511-S515 WeakPolarHBondContact O-CB 3.37Å; V511-S515 PolarHBondContact O-N 3.1Å; V511-S515 PolarHBondContact O-OG 3.22Å; M512-S515 PolarHBondContact O-N 2.72Å; M512-S515 PolarHBondContact O-OG 3.46Å; S515-L518 PolarHBondContact O-N 3.14Å; S515-C519 WeakPolarHBondContact O-CB 3.27Å; S515-C519 PolarHBondContact O-N 2.95Å; S515-C519 PolarHBondContact O-SG 3.45Å
516V92.7Very high87.4Confident70 Ų7042.6 Ų42.642%0.42424%0.238SC..Hα-helixtrans-62.9-47.8175.4174.30000110.5M512 V513 C519 A520 V583M512-V516 WeakPolarHBondContact O-CG2 3.46Å; M512-V516 PolarHBondContact O-N 2.87Å; V513-V516 PolarHBondContact O-N 3.45Å; V516-C519 PolarHBondContact O-N 3.41Å; V516-A520 WeakPolarHBondContact O-CB 3.24Å; V516-A520 PolarHBondContact O-N 2.95Å; V516-V583 HydrophobicContact CB-CG1 4.29Å; V516-V583 HydrophobicContact CG2-CG1 3.82Å; V516-V583 HydrophobicContact CG2-CG2 4.24Å
517S92Very high86.5Confident31 Ų3142.5 Ų42.522%0.21724%0.243CC..Hα-helixtrans-62.1-45.6178.2-58.20000112.1V513 S514 A520 V521V513-S517 WeakPolarHBondContact O-CB 3.23Å; V513-S517 PolarHBondContact O-N 2.82Å; V513-S517 PolarHBondContact O-OG 3.19Å; S514-S517 PolarHBondContact O-N 3.38Å; S517-A520 PolarHBondContact O-N 2.86Å; S517-V521 WeakPolarHBondContact O-CG2 3.43Å; S517-V521 PolarHBondContact O-N 3.34Å
518L91.8Very high85.7Confident27 Ų2749 Ų4914%0.14127%0.272CS..Hα-helixtrans-61.9-47.4178.8-178.562.1000111.4S514 S515 V521 F522 I540 F543 L580S514-L518 WeakPolarHBondContact O-CB 3.41Å; S514-L518 PolarHBondContact O-N 3.23Å; S515-L518 PolarHBondContact O-N 3.14Å; L518-V521 PolarHBondContact O-N 3.02Å; L518-F522 WeakPolarHBondContact O-CB 3.2Å; L518-F522 PolarHBondContact O-N 3.48Å; L518-I540 HydrophobicContact CD1-CG2 4.28Å; L518-F543 HydrophobicContact CB-CB 3.93Å; L518-F543 HydrophobicContact CD1-CB 4.14Å; L518-L580 HydrophobicContact CD2-CD1 4.03Å
519C90.6Very high84.6Confident6 Ų653.7 Ų53.74%0.04130%0.296CS..Hα-helixtrans-67.4-37.2178.6-63.50000111.5S515 V516 F522 V523 V583 L587S515-C519 WeakPolarHBondContact O-CB 3.27Å; S515-C519 PolarHBondContact O-N 2.95Å; S515-C519 PolarHBondContact O-SG 3.45Å; V516-C519 PolarHBondContact O-N 3.41Å; C519-F522 PolarHBondContact O-N 2.9Å; C519-V523 WeakPolarHBondContact O-CB 3.4Å; C519-V523 WeakPolarHBondContact O-CG2 3.19Å; C519-V523 PolarHBondContact O-N 3.38Å; C519-V583 HydrophobicContact CB-CG1 3.93Å; C519-L587 HydrophobicContact CB-CD1 3.51Å
520A88.6Confident83.7Confident30 Ų3056.7 Ų56.725%0.24831%0.307CS..Hα-helixtrans-64-43.3176.700000111.8V516 S517 F522 V523 F524 L587V516-A520 WeakPolarHBondContact O-CB 3.24Å; V516-A520 PolarHBondContact O-N 2.95Å; S517-A520 PolarHBondContact O-N 2.86Å; A520-F522 VanDerWaalsContact C-N 3.33Å; A520-F522 PolarHBondContact O-N 3.23Å; A520-V523 PolarHBondContact O-N 2.98Å; A520-F524 HydrophobicContact CB-CD2 4.27Å; A520-F524 WeakPolarHBondContact O-CB 3.23Å; A520-F524 WeakPolarHBondContact O-CD2 3.46Å; A520-F524 PolarHBondContact O-N 3.01Å; A520-L587 HydrophobicContact CB-CD1 4.12Å; A520-L587 VanDerWaalsContact N-CD1 3.3Å
521V88.5Confident82.8Confident17 Ų1757 Ų5710%0.10330%0.304CS..Hα-helixtrans-60.6-45.9172.9173.50000110S517 L518 V523 G525 F536 L539 I540 F543S517-V521 WeakPolarHBondContact O-CG2 3.43Å; S517-V521 PolarHBondContact O-N 3.34Å; L518-V521 PolarHBondContact O-N 3.02Å; V521-V523 PolarHBondContact O-N 2.74Å; V521-G525 WeakPolarHBondContact O-CA 3.35Å; V521-G525 PolarHBondContact O-N 3.47Å; V521-F536 HydrophobicContact CG1-CD2 3.94Å; V521-F536 HydrophobicContact CG1-CE2 3.99Å; V521-F536 WeakPolarHBondContact O-CE2 3.23Å; V521-L539 HydrophobicContact CG1-CB 4.01Å; V521-L539 HydrophobicContact CG2-CB 4.11Å; V521-L539 HydrophobicContact CG2-CD1 4.45Å; V521-I540 HydrophobicContact CG1-CG1 3.78Å; V521-F543 HydrophobicContact CG2-CD2 3.93Å; V521-F543 HydrophobicContact CG2-CE2 3.84Å
522F85.4Confident82.3Confident122 Ų12260 Ų6054%0.53532%0.322SS..Hα-helixtrans-64.5-39-178.7-164.4-89.1000113.4L518 C519 A520 I540 F584L518-F522 WeakPolarHBondContact O-CB 3.2Å; L518-F522 PolarHBondContact O-N 3.48Å; C519-F522 PolarHBondContact O-N 2.9Å; A520-F522 VanDerWaalsContact C-N 3.33Å; A520-F522 PolarHBondContact O-N 3.23Å; F522-I540 HydrophobicContact CD2-CD1 4.5Å; F522-F584 HydrophobicContact CD1-CD2 4.43Å; F522-F584 AromaticContact CD1-CE2 3.7Å; F522-F584 HydrophobicContact CD1-CE2 3.7Å; F522-F584 AromaticContact CE1-CE2 3.94Å; F522-F584 HydrophobicContact CE1-CE2 3.94Å
523V82.6Confident81.9Confident13 Ų1364.2 Ų64.28%0.07935%0.35CS..Hα-helixtrans-84.5-43.3-176.11750000112.5C519 A520 V521 F584 L587 K588C519-V523 WeakPolarHBondContact O-CB 3.4Å; C519-V523 WeakPolarHBondContact O-CG2 3.19Å; C519-V523 PolarHBondContact O-N 3.38Å; A520-V523 PolarHBondContact O-N 2.98Å; V521-V523 PolarHBondContact O-N 2.74Å; V523-F584 HydrophobicContact CG2-CD2 4.31Å; V523-F584 HydrophobicContact CG2-CE2 4.1Å; V523-L587 HydrophobicContact CB-CB 4.46Å; V523-L587 HydrophobicContact CG1-CB 4.46Å; V523-L587 HydrophobicContact CG2-CB 4.14Å; V523-K588 HydrophobicContact CG1-CD 4.35Å; V523-K588 HydrophobicContact CG2-CD 4.44Å
524F82.9Confident81.5Confident84 Ų8468.7 Ų68.737%0.36836%0.358SS..Hα-helixtrans-101.1-19.2-173.5-58.9-66.1000113.8A520 S526 N527 Q528 L529 L587A520-F524 HydrophobicContact CB-CD2 4.27Å; A520-F524 WeakPolarHBondContact O-CB 3.23Å; A520-F524 WeakPolarHBondContact O-CD2 3.46Å; A520-F524 PolarHBondContact O-N 3.01Å; F524-S526 VanDerWaalsContact C-N 3.32Å; F524-S526 PolarHBondContact O-N 3.01Å; F524-N527 PolarHBondContact O-N 2.93Å; F524-Q528 HydrophobicContact CB-CB 4.5Å; F524-Q528 HydrophobicContact CD1-CG 4.3Å; F524-Q528 PolarHBondContact O-N 3.39Å; F524-L529 PolarHBondContact O-N 3.13Å; F524-L587 HydrophobicContact CE2-CD1 4.5Å; F524-L587 HydrophobicContact CE2-CD2 4.22Å
525G71.1Confident81.1Confident2 Ų269.6 Ų69.62%0.02137%0.365CS..THydrogen-bonded Turntrans-60.7-36.9-173.500000114V521V521-G525 WeakPolarHBondContact O-CA 3.35Å; V521-G525 PolarHBondContact O-N 3.47Å
526S65.8Low80.7Confident76 Ų7672.3 Ų72.353%0.53138%0.377SS..THydrogen-bonded Turntrans-80.4-37.1179.3640000113.6F524F524-S526 VanDerWaalsContact C-N 3.32Å; F524-S526 PolarHBondContact O-N 3.01Å
527N66.9Low80.4Confident122 Ų12271.2 Ų71.265%0.65238%0.375SS*.THydrogen-bonded Turntrans-100.4-36.7-165-65.7-1.5000113.5F524F524-N527 PolarHBondContact O-N 2.93Å
528Q70Confident80.4Confident151 Ų15173.6 Ų73.671%0.70639%0.388SS*.THydrogen-bonded Turntrans-110.3-35.9-171.9-65.9-67.9-10.900112.4F524F524-Q528 HydrophobicContact CB-CB 4.5Å; F524-Q528 HydrophobicContact CD1-CG 4.3Å; F524-Q528 PolarHBondContact O-N 3.39Å
529L63.6Low80.2Confident107 Ų10774.7 Ų74.756%0.5639%0.394SS*.SBendtrans-87.7-12.8-174.2-106.475.6000113.9F524 L531F524-L529 PolarHBondContact O-N 3.13Å; L529-L531 HydrophobicContact CB-CD1 3.89Å; L529-L531 HydrophobicContact CB-CG 3.95Å; L529-L531 HydrophobicContact CD2-CD1 3.57Å; L529-L531 HydrophobicContact CD2-CG 4.16Å; L529-L531 HydrophobicContact CG-CD1 4.33Å; L529-L531 PolarHBondContact O-N 3.19Å
530Q71.8Confident80.2Confident171 Ų17176.8 Ų76.880%0.79940%0.404SS*.  trans39.538.3-176.6-65.8-175.5-0.800112.9
531L71.5Confident80.4Confident46 Ų4680 Ų8024%0.24142%0.421CS..  trans-66.8140.2-175.7-81158.4000109.4L529 T533 F536 L539L529-L531 HydrophobicContact CB-CD1 3.89Å; L529-L531 HydrophobicContact CB-CG 3.95Å; L529-L531 HydrophobicContact CD2-CD1 3.57Å; L529-L531 HydrophobicContact CD2-CG 4.16Å; L529-L531 HydrophobicContact CG-CD1 4.33Å; L529-L531 PolarHBondContact O-N 3.19Å; L531-T533 PolarHBondContact O-N 3.29Å; L531-F536 HydrophobicContact CB-CB 4.34Å; L531-L539 HydrophobicContact CD1-CD1 3.94Å
532P82.1Confident80.6Confident61 Ų6182.6 Ų82.640%0.39644%0.437SS..  trans-60142.6169.926.9-33000109.3W534 S535 F536P532-W534 HydrophobicContact CG-CZ2 4.15Å; P532-W534 PolarHBondContact O-N 3.11Å; P532-S535 PolarHBondContact O-N 3.32Å; P532-F536 PolarHBondContact O-N 2.97Å; P532-F536 VanDerWaalsContact O-N 3.11Å
533T82.6Confident81Confident124 Ų12479.3 Ų79.376%0.76142%0.422SS*.Hα-helixtrans-52.8-34.1-171.245.60000113.7L531 A537L531-T533 PolarHBondContact O-N 3.29Å; T533-A537 WeakPolarHBondContact O-CB 3.47Å; T533-A537 PolarHBondContact O-N 2.64Å
534W85.3Confident81.4Confident178 Ų17879.5 Ų79.567%0.67443%0.426SS*.Hα-helixtrans-66.5-41.2175.868.5-95.7000112.6P532 A537 V538P532-W534 HydrophobicContact CG-CZ2 4.15Å; P532-W534 PolarHBondContact O-N 3.11Å; W534-A537 PolarHBondContact O-N 3.28Å; W534-V538 WeakPolarHBondContact O-CB 3.3Å; W534-V538 WeakPolarHBondContact O-CG2 3.26Å; W534-V538 PolarHBondContact O-N 2.84Å
535S85Confident81.8Confident24 Ų2478.4 Ų78.417%0.16843%0.429CS..Hα-helixtrans-70.8-40.6-179.8-1780000110.9P532 V538 L539P532-S535 PolarHBondContact O-N 3.32Å; S535-V538 PolarHBondContact O-N 2.97Å; S535-L539 WeakPolarHBondContact O-CG 3.25Å; S535-L539 PolarHBondContact O-N 2.94Å
536F84.1Confident82.8Confident56 Ų5681.1 Ų81.125%0.24645%0.446CS..Hα-helixtrans-58.3-48.2171.7177.5-99.8000112V521 L531 P532 V538 L539 I540V521-F536 HydrophobicContact CG1-CD2 3.94Å; V521-F536 HydrophobicContact CG1-CE2 3.99Å; V521-F536 WeakPolarHBondContact O-CE2 3.23Å; L531-F536 HydrophobicContact CB-CB 4.34Å; P532-F536 PolarHBondContact O-N 2.97Å; P532-F536 VanDerWaalsContact O-N 3.11Å; F536-V538 PolarHBondContact O-N 3.02Å; F536-L539 PolarHBondContact O-N 3.33Å; F536-I540 HydrophobicContact CD1-CD1 3.91Å; F536-I540 HydrophobicContact CE1-CD1 3.33Å; F536-I540 HydrophobicContact CE2-CD1 4.05Å; F536-I540 HydrophobicContact CG-CD1 4.48Å; F536-I540 HydrophobicContact CZ-CD1 3.43Å; F536-I540 VanDerWaalsContact CZ-CD1 3.43Å; F536-I540 WeakPolarHBondContact O-CG1 3.37Å; F536-I540 PolarHBondContact O-N 3.37Å; F536-I540 VanDerWaalsContact O-N 3.09Å
537A86.9Confident84.1Confident48 Ų4878.2 Ų78.240%0.39742%0.423SS..Hα-helixtrans-62.5-43.2177.900000112.2T533 W534 I540 V541T533-A537 WeakPolarHBondContact O-CB 3.47Å; T533-A537 PolarHBondContact O-N 2.64Å; W534-A537 PolarHBondContact O-N 3.28Å; A537-I540 PolarHBondContact O-N 3.05Å; A537-V541 VanDerWaalsContact O-CG2 3.31Å; A537-V541 WeakPolarHBondContact O-CG2 3.14Å; A537-V541 PolarHBondContact O-N 3.06Å
538V90.5Very high85.3Confident80 Ų8077.2 Ų77.249%0.48542%0.418SS..Hα-helixtrans-61-46177168.90000111.1W534 S535 F536 I540 V541 V542W534-V538 WeakPolarHBondContact O-CB 3.3Å; W534-V538 WeakPolarHBondContact O-CG2 3.26Å; W534-V538 PolarHBondContact O-N 2.84Å; S535-V538 PolarHBondContact O-N 2.97Å; F536-V538 PolarHBondContact O-N 3.02Å; V538-I540 PolarHBondContact O-N 2.97Å; V538-V541 PolarHBondContact O-N 3.21Å; V538-V542 HydrophobicContact CG1-CG2 4.14Å; V538-V542 WeakPolarHBondContact O-CB 3.27Å; V538-V542 VanDerWaalsContact O-CG2 3.26Å; V538-V542 WeakPolarHBondContact O-CG2 3.44Å; V538-V542 PolarHBondContact O-N 2.73Å
539L89.5Confident86.3Confident51 Ų5175.3 Ų75.327%0.26741%0.411SS..Hα-helixtrans-62.5-40.9179.3-74.3167.8000112.4V521 L531 S535 F536 V541 V542 F543V521-L539 HydrophobicContact CG1-CB 4.01Å; V521-L539 HydrophobicContact CG2-CB 4.11Å; V521-L539 HydrophobicContact CG2-CD1 4.45Å; L531-L539 HydrophobicContact CD1-CD1 3.94Å; S535-L539 WeakPolarHBondContact O-CG 3.25Å; S535-L539 PolarHBondContact O-N 2.94Å; F536-L539 PolarHBondContact O-N 3.33Å; L539-V541 VanDerWaalsContact C-N 3.35Å; L539-V542 PolarHBondContact O-N 3.07Å; L539-F543 HydrophobicContact CB-CD2 4.45Å; L539-F543 HydrophobicContact CB-CE2 4.39Å; L539-F543 HydrophobicContact CD2-CE2 3.84Å; L539-F543 HydrophobicContact CD2-CZ 4.39Å; L539-F543 WeakPolarHBondContact O-CD2 3.4Å; L539-F543 PolarHBondContact O-N 3.47Å
540I89.8Confident87.5Confident49 Ų4970.6 Ų70.625%0.25139%0.388SS..Hα-helixtrans-61.3-45.2174.6-72.2178.1000110.8L518 V521 F522 F536 A537 V538 G544L518-I540 HydrophobicContact CD1-CG2 4.28Å; V521-I540 HydrophobicContact CG1-CG1 3.78Å; F522-I540 HydrophobicContact CD2-CD1 4.5Å; F536-I540 HydrophobicContact CD1-CD1 3.91Å; F536-I540 HydrophobicContact CE1-CD1 3.33Å; F536-I540 HydrophobicContact CE2-CD1 4.05Å; F536-I540 HydrophobicContact CG-CD1 4.48Å; F536-I540 HydrophobicContact CZ-CD1 3.43Å; F536-I540 VanDerWaalsContact CZ-CD1 3.43Å; F536-I540 WeakPolarHBondContact O-CG1 3.37Å; F536-I540 PolarHBondContact O-N 3.37Å; F536-I540 VanDerWaalsContact O-N 3.09Å; A537-I540 PolarHBondContact O-N 3.05Å; V538-I540 PolarHBondContact O-N 2.97Å; I540-G544 WeakPolarHBondContact O-CA 3.45Å; I540-G544 PolarHBondContact O-N 2.8Å
541V92.5Very high88.3Confident99 Ų9962.7 Ų62.760%0.635%0.351SS*.Hα-helixtrans-65.9-41.2179.5172.80000111.1A537 V538 L539 S545A537-V541 VanDerWaalsContact O-CG2 3.31Å; A537-V541 WeakPolarHBondContact O-CG2 3.14Å; A537-V541 PolarHBondContact O-N 3.06Å; V538-V541 PolarHBondContact O-N 3.21Å; L539-V541 VanDerWaalsContact C-N 3.35Å; V541-S545 WeakPolarHBondContact O-CB 3.44Å; V541-S545 PolarHBondContact O-N 3.01Å; V541-S545 PolarHBondContact O-OG 3.23Å
542V93.8Very high89.1Confident71 Ų7165 Ų6543%0.4336%0.363SS..Hα-helixtrans-66-51.5179.4170.20000111.4V538 L539 S545 T546V538-V542 HydrophobicContact CG1-CG2 4.14Å; V538-V542 WeakPolarHBondContact O-CB 3.27Å; V538-V542 VanDerWaalsContact O-CG2 3.26Å; V538-V542 WeakPolarHBondContact O-CG2 3.44Å; V538-V542 PolarHBondContact O-N 2.73Å; L539-V542 PolarHBondContact O-N 3.07Å; V542-S545 PolarHBondContact O-OG 3.33Å; V542-T546 WeakPolarHBondContact O-CB 3.31Å; V542-T546 PolarHBondContact O-N 2.95Å; V542-T546 PolarHBondContact O-OG1 2.88Å
543F92.9Very high89.2Confident53 Ų5363.3 Ų63.323%0.23235%0.351CS..Hα-helixtrans-71.4-35.9180-65.9-53.8000112.2L518 V521 L539 T546 F547L518-F543 HydrophobicContact CB-CB 3.93Å; L518-F543 HydrophobicContact CD1-CB 4.14Å; V521-F543 HydrophobicContact CG2-CD2 3.93Å; V521-F543 HydrophobicContact CG2-CE2 3.84Å; L539-F543 HydrophobicContact CB-CD2 4.45Å; L539-F543 HydrophobicContact CB-CE2 4.39Å; L539-F543 HydrophobicContact CD2-CE2 3.84Å; L539-F543 HydrophobicContact CD2-CZ 4.39Å; L539-F543 WeakPolarHBondContact O-CD2 3.4Å; L539-F543 PolarHBondContact O-N 3.47Å; F543-T546 PolarHBondContact O-N 3.47Å; F543-F547 WeakPolarHBondContact O-CB 3.38Å; F543-F547 PolarHBondContact O-N 3.31Å
544G91.6Very high89.3Confident16 Ų1657.4 Ų57.417%0.16532%0.315CS..Hα-helixtrans-63.9-44.2174.500000112.6I540 F547 L548I540-G544 WeakPolarHBondContact O-CA 3.45Å; I540-G544 PolarHBondContact O-N 2.8Å; G544-F547 PolarHBondContact O-N 3.31Å; G544-L548 WeakPolarHBondContact O-CG 3.37Å; G544-L548 PolarHBondContact O-N 3.39Å
545S91.6Very high89.3Confident62 Ų6254.1 Ų54.143%0.43430%0.303SS..Hα-helixtrans-66.9-38.6175.4590000112.1V541 V542 L548 L549V541-S545 WeakPolarHBondContact O-CB 3.44Å; V541-S545 PolarHBondContact O-N 3.01Å; V541-S545 PolarHBondContact O-OG 3.23Å; V542-S545 PolarHBondContact O-OG 3.33Å; S545-L548 PolarHBondContact O-N 2.77Å; S545-L549 WeakPolarHBondContact O-CB 3.35Å; S545-L549 PolarHBondContact O-N 2.99Å
546T91.8Very high89Confident59 Ų5953.2 Ų53.236%0.36230%0.297SS..Hα-helixtrans-63.1-41.9174.9-55.60000111.7V542 F543 L549 S550V542-T546 WeakPolarHBondContact O-CB 3.31Å; V542-T546 PolarHBondContact O-N 2.95Å; V542-T546 PolarHBondContact O-OG1 2.88Å; F543-T546 PolarHBondContact O-N 3.47Å; T546-L549 PolarHBondContact O-N 3.28Å; T546-S550 WeakPolarHBondContact O-CB 3.45Å; T546-S550 PolarHBondContact O-N 3.07Å; T546-S550 PolarHBondContact O-OG 2.99Å
547F92.6Very high88.8Confident15 Ų1550.8 Ų50.87%0.06629%0.287CS..Hα-helixtrans-62.8-46.5175.2177.6-94.7000111.7V511 S514 F543 G544 S550 L551 G576 L580V511-F547 HydrophobicContact CG1-CD2 4.11Å; V511-F547 HydrophobicContact CG1-CE2 3.71Å; S514-F547 WeakPolarHBondContact OG-CA 3.42Å; F543-F547 WeakPolarHBondContact O-CB 3.38Å; F543-F547 PolarHBondContact O-N 3.31Å; G544-F547 PolarHBondContact O-N 3.31Å; F547-S550 PolarHBondContact O-OG 3.44Å; F547-L551 HydrophobicContact CD1-CD1 4.06Å; F547-L551 HydrophobicContact CE1-CD1 3.49Å; F547-L551 VanDerWaalsContact CE1-CD1 3.49Å; F547-L551 HydrophobicContact CE1-CG 4.47Å; F547-L551 HydrophobicContact CZ-CD1 3.78Å; F547-L551 WeakPolarHBondContact O-CG 3.45Å; F547-L551 PolarHBondContact O-N 2.92Å; F547-L551 VanDerWaalsContact O-N 3.15Å; F547-G576 WeakPolarHBondContact CZ-O 3.04Å; F547-L580 HydrophobicContact CE1-CD2 4.45Å; F547-L580 HydrophobicContact CE2-CB 4.36Å; F547-L580 HydrophobicContact CZ-CB 4.08Å; F547-L580 HydrophobicContact CZ-CD2 4.4Å
548L92.5Very high88.2Confident101 Ų10150.7 Ų50.753%0.52928%0.278SS..Hα-helixtrans-66.4-41.8177.4-69.2175.8000112.1G544 S545 L551 L552G544-L548 WeakPolarHBondContact O-CG 3.37Å; G544-L548 PolarHBondContact O-N 3.39Å; S545-L548 PolarHBondContact O-N 2.77Å; L548-L551 PolarHBondContact O-N 3.16Å; L548-L552 VanDerWaalsContact O-CG 3.31Å; L548-L552 WeakPolarHBondContact O-CG 3.34Å; L548-L552 PolarHBondContact O-N 3.38Å
549L90.6Very high87.6Confident110 Ų11048.5 Ų48.558%0.57627%0.265SS*.Hα-helixtrans-63.1-44.5179.4-17566.3000111.2S545 T546 L551 L552 V553S545-L549 WeakPolarHBondContact O-CB 3.35Å; S545-L549 PolarHBondContact O-N 2.99Å; T546-L549 PolarHBondContact O-N 3.28Å; L549-L551 PolarHBondContact O-N 2.89Å; L549-L552 PolarHBondContact O-N 3.34Å; L549-L552 VanDerWaalsContact O-N 3.16Å; L549-V553 WeakPolarHBondContact O-CG2 3.41Å; L549-V553 PolarHBondContact O-N 3.41Å
550S88.9Confident86.7Confident9 Ų949.1 Ų49.16%0.06327%0.267CS..Hα-helixtrans-63.4-38.917753.10000112.4V511 T546 F547 V553 I554V511-S550 WeakPolarHBondContact CG2-OG 3.2Å; T546-S550 WeakPolarHBondContact O-CB 3.45Å; T546-S550 PolarHBondContact O-N 3.07Å; T546-S550 PolarHBondContact O-OG 2.99Å; F547-S550 PolarHBondContact O-OG 3.44Å; S550-V553 PolarHBondContact O-N 3.12Å; S550-I554 WeakPolarHBondContact O-CD1 3.4Å; S550-I554 VanDerWaalsContact O-CG1 3.29Å; S550-I554 WeakPolarHBondContact O-CG1 3.19Å; S550-I554 PolarHBondContact O-N 3.43Å; S550-I554 VanDerWaalsContact O-N 3.07Å
551L89.3Confident85.6Confident5 Ų551 Ų513%0.02628%0.276CS..Hα-helixtrans-64.2-39.1171.3-70.8178.5000112.8V511 F547 L548 L549 I554 Y555 P572 F573V511-L551 HydrophobicContact CG1-CD2 4.43Å; V511-L551 HydrophobicContact CG2-CD2 3.91Å; V511-L551 HydrophobicContact CG2-CG 4.2Å; F547-L551 HydrophobicContact CD1-CD1 4.06Å; F547-L551 HydrophobicContact CE1-CD1 3.49Å; F547-L551 VanDerWaalsContact CE1-CD1 3.49Å; F547-L551 HydrophobicContact CE1-CG 4.47Å; F547-L551 HydrophobicContact CZ-CD1 3.78Å; F547-L551 WeakPolarHBondContact O-CG 3.45Å; F547-L551 PolarHBondContact O-N 2.92Å; F547-L551 VanDerWaalsContact O-N 3.15Å; L548-L551 PolarHBondContact O-N 3.16Å; L549-L551 PolarHBondContact O-N 2.89Å; L551-I554 PolarHBondContact O-N 3.38Å; L551-Y555 WeakPolarHBondContact O-CB 3.44Å; L551-Y555 PolarHBondContact O-N 3.33Å; L551-P572 HydrophobicContact CD2-CB 4.04Å; L551-P572 HydrophobicContact CD2-CG 4.28Å; L551-P572 WeakPolarHBondContact O-CG 3.31Å; L551-F573 HydrophobicContact CD1-CD1 4.41Å
552L87.8Confident84.4Confident94 Ų9449 Ų4949%0.49226%0.262SS..Hα-helixtrans-66.3-39.1176.4-72.5173.5000112L548 L549 I554 Y555 A556L548-L552 VanDerWaalsContact O-CG 3.31Å; L548-L552 WeakPolarHBondContact O-CG 3.34Å; L548-L552 PolarHBondContact O-N 3.38Å; L549-L552 PolarHBondContact O-N 3.34Å; L549-L552 VanDerWaalsContact O-N 3.16Å; L552-I554 VanDerWaalsContact C-N 3.35Å; L552-Y555 PolarHBondContact O-N 3.38Å; L552-A556 WeakPolarHBondContact O-CB 3.34Å; L552-A556 PolarHBondContact O-N 2.88Å
553V84.9Confident82.7Confident26 Ų2651.5 Ų51.516%0.15828%0.278CS..Hα-helixtrans-60.6-45.8173.7171.60000110.2L491 L495 V503 S507 L549 S550 Y555 A556 H557L491-V553 HydrophobicContact CD2-CG2 4.41Å; L495-V553 HydrophobicContact CD2-CG1 4.4Å; V503-V553 HydrophobicContact CG1-CG1 4.12Å; S507-V553 WeakPolarHBondContact OG-CG1 3.36Å; L549-V553 WeakPolarHBondContact O-CG2 3.41Å; L549-V553 PolarHBondContact O-N 3.41Å; S550-V553 PolarHBondContact O-N 3.12Å; V553-Y555 VanDerWaalsContact C-N 3.33Å; V553-Y555 PolarHBondContact O-N 3.43Å; V553-A556 WeakPolarHBondContact O-CB 3.15Å; V553-A556 PolarHBondContact O-N 3.41Å; V553-H557 PolarHBondContact O-ND1 2.93Å
554I84.3Confident81.3Confident0 Ų056.7 Ų56.70%030%0.3CS..Hα-helixtrans-62.7-42.1176-62.5161.3000110.7I410 F414 V504 V508 V511 S550 L551 L552 A556 H557 P572I410-I554 HydrophobicContact CG2-CD1 4.27Å; I410-I554 HydrophobicContact CG2-CG2 3.72Å; F414-I554 HydrophobicContact CD2-CG2 4.02Å; F414-I554 HydrophobicContact CE2-CG2 3.45Å; F414-I554 VanDerWaalsContact CE2-CG2 3.45Å; F414-I554 HydrophobicContact CZ-CG2 3.81Å; V504-I554 HydrophobicContact CG1-CG1 4.39Å; V504-I554 HydrophobicContact CG1-CG2 4.32Å; V508-I554 HydrophobicContact CG2-CD1 4.05Å; V511-I554 HydrophobicContact CG2-CD1 3.95Å; S550-I554 WeakPolarHBondContact O-CD1 3.4Å; S550-I554 VanDerWaalsContact O-CG1 3.29Å; S550-I554 WeakPolarHBondContact O-CG1 3.19Å; S550-I554 PolarHBondContact O-N 3.43Å; S550-I554 VanDerWaalsContact O-N 3.07Å; L551-I554 PolarHBondContact O-N 3.38Å; L552-I554 VanDerWaalsContact C-N 3.35Å; I554-A556 PolarHBondContact O-N 2.97Å; I554-H557 PolarHBondContact O-N 3.46Å; I554-P572 HydrophobicContact CB-CB 4.1Å; I554-P572 HydrophobicContact CB-CG 3.92Å; I554-P572 HydrophobicContact CG2-CB 3.58Å; I554-P572 HydrophobicContact CG2-CG 3.77Å
555Y84.4Confident80.6Confident109 Ų10956.8 Ų56.843%0.42730%0.298SS..Hα-helixtrans-64.5-27.5177.3-179.8-101.8000113.3K484 L551 L552 V553 H557 F573K484-Y555 WeakPolarHBondContact CE-O 3.42Å; K484-Y555 PolarHBondContact NZ-O 3.07Å; L551-Y555 WeakPolarHBondContact O-CB 3.44Å; L551-Y555 PolarHBondContact O-N 3.33Å; L552-Y555 PolarHBondContact O-N 3.38Å; V553-Y555 VanDerWaalsContact C-N 3.33Å; V553-Y555 PolarHBondContact O-N 3.43Å; Y555-H557 VanDerWaalsContact C-N 3.26Å; Y555-H557 PolarHBondContact O-N 3.29Å; Y555-F573 AromaticContact CD2-CE2 3.91Å; Y555-F573 HydrophobicContact CD2-CE2 3.91Å; Y555-F573 HydrophobicContact CE2-CE2 4.35Å; Y555-F573 HydrophobicContact CG-CE2 4.29Å; Y555-F573 HydrophobicContact CG-CZ 4.45Å
556A79.4Confident80.1Confident4 Ų457 Ų573%0.03329%0.291CS..Hα-helixtrans-72.3-17177.100000113.3K484 W487 L552 V553 I554K484-A556 VanDerWaalsContact CB-O 3.31Å; K484-A556 WeakPolarHBondContact CB-O 3.47Å; K484-A556 VanDerWaalsContact CG-O 3.31Å; K484-A556 WeakPolarHBondContact CG-O 3.43Å; K484-A556 PolarHBondContact N-O 3.36Å; W487-A556 HydrophobicContact CB-CB 4.35Å; W487-A556 HydrophobicContact CG-CB 4.09Å; L552-A556 WeakPolarHBondContact O-CB 3.34Å; L552-A556 PolarHBondContact O-N 2.88Å; V553-A556 WeakPolarHBondContact O-CB 3.15Å; V553-A556 PolarHBondContact O-N 3.41Å; I554-A556 PolarHBondContact O-N 2.97Å
557H80.3Confident79.7Confident6 Ų655.9 Ų55.93%0.02828%0.282CS..BIsolated β-bridgetrans-85.6158174.8-67.974.9000111.7F414 G481 V482 K484 V504 V553 I554 Y555 P559F414-H557 HydrophobicContact CD1-CB 3.79Å; F414-H557 HydrophobicContact CE1-CB 3.9Å; F414-H557 WeakPolarHBondContact CE1-O 3.46Å; G481-H557 PolarHBondContact O-CD2 3.23Å; V482-H557 CarbonylContact O-C 3.35Å; V482-H557 WeakPolarHBondContact O-CA 3.34Å; K484-H557 WeakPolarHBondContact CE-O 3.22Å; V504-H557 HydrophobicContact CG2-CB 4.14Å; V553-H557 PolarHBondContact O-ND1 2.93Å; I554-H557 PolarHBondContact O-N 3.46Å; Y555-H557 VanDerWaalsContact C-N 3.26Å; Y555-H557 PolarHBondContact O-N 3.29Å; H557-P559 WeakPolarHBondContact O-CD 3.43Å
558E74.4Confident79.2Confident46 Ų4655.2 Ų55.222%0.21528%0.279CS..PPolyproline II helixtrans-82.2119176.6-70.5-161.5-172.200111.8F414 S478 G481 V482 K484F414-E558 WeakPolarHBondContact CD1-O 3.36Å; S478-E558 WeakPolarHBondContact CB-OE2 3.26Å; S478-E558 PolarHBondContact N-OE2 3.4Å; G481-E558 PolarHBondContact N-O 2.97Å; V482-E558 PolarHBondContact O-N 3.36Å; K484-E558 HydrophobicContact CB-CG 4.45Å; K484-E558 HydrophobicContact CG-CG 3.55Å
559P76.4Confident78.8Confident34 Ų3453.5 Ų53.522%0.22127%0.274CS..PPolyproline II helixtrans-79.6148.4177.131.8-33.2000111.3R413 F414 H557 I561R413-P559 HydrophobicContact CG-CB 3.88Å; F414-P559 HydrophobicContact CD1-CB 4.38Å; F414-P559 HydrophobicContact CE1-CB 3.72Å; F414-P559 HydrophobicContact CE1-CG 4.43Å; F414-P559 HydrophobicContact CZ-CB 3.86Å; H557-P559 WeakPolarHBondContact O-CD 3.43Å; P559-I561 HydrophobicContact CG-CG1 4.46Å; P559-I561 PolarHBondContact O-N 2.97Å
560H70.3Confident78.4Confident63 Ų6354.2 Ų54.229%0.29228%0.277SS..  trans-68.8112168.7-174-101.6000110.9R413 P480 Q567R413-H560 VanDerWaalsContact O-CB 3.25Å; R413-H560 WeakPolarHBondContact O-CB 3.29Å; R413-H560 PolarHBondContact O-N 2.91Å; P480-H560 HydrophobicContact CB-CB 3.96Å; H560-Q567 PolarHBondContact O-NE2 3.15Å
561I67.4Low78.1Confident88 Ų8854.2 Ų54.245%0.45128%0.277SS..  trans-102.7106.2178.2-59.3173.4000109.1P559P559-I561 HydrophobicContact CG-CG1 4.46Å; P559-I561 PolarHBondContact O-N 2.97Å
562N66.8Low78Confident57 Ų5754 Ų5431%0.30528%0.276SS..  trans-101.7118.4170.7-172.6-15.4000108.8K564N562-K564 VanDerWaalsContact C-N 3.31Å; N562-K564 PolarHBondContact O-N 3.49Å; N562-K564 WeakPolarHBondContact OD1-CB 3.35Å; N562-K564 PolarHBondContact OD1-N 2.81Å
563T59.6Low78Confident124 Ų12453.1 Ų53.176%0.76127%0.269SS*.SBendtrans-79.3-10.9-177.752.80000113.7
564K63.4Low78.3Confident162 Ų16253.3 Ų53.370%0.70427%0.268SS*.SBendtrans-89.2-22.2-176.7-62.9-178.3-179.7176.10113.5N562N562-K564 VanDerWaalsContact C-N 3.31Å; N562-K564 PolarHBondContact O-N 3.49Å; N562-K564 WeakPolarHBondContact OD1-CB 3.35Å; N562-K564 PolarHBondContact OD1-N 2.81Å
565T75.2Confident78.6Confident18 Ų1853.3 Ų53.311%0.1127%0.268CS..SBendtrans-119.1149.4-175.555.90000111.1R95 Q265R95-T565 HydrophobicContact CG-CG2 4.49Å; Q265-T565 HydrophobicContact CG-CG2 4.3Å
566F82.4Confident79Confident68 Ų6848.1 Ų48.130%0.29825%0.248SC..  trans-56142171.1178.3-100.3000111.7L87 A90 E91 A94 P269 V568L87-F566 HydrophobicContact CD2-CE1 4.37Å; L87-F566 HydrophobicContact CD2-CZ 3.93Å; A90-F566 HydrophobicContact CB-CD1 4.11Å; A90-F566 HydrophobicContact CB-CE1 3.97Å; E91-F566 HydrophobicContact CB-CD1 4.4Å; A94-F566 HydrophobicContact CB-CB 4.32Å; P269-F566 HydrophobicContact CB-CB 3.78Å; P269-F566 HydrophobicContact CB-CD1 3.71Å; P269-F566 HydrophobicContact CB-CD2 3.94Å; P269-F566 HydrophobicContact CB-CE1 4.27Å; P269-F566 HydrophobicContact CB-CE2 4.47Å; P269-F566 HydrophobicContact CB-CG 3.53Å; P269-F566 HydrophobicContact CG-CB 3.35Å; P269-F566 HydrophobicContact CG-CD1 3.91Å; P269-F566 HydrophobicContact CG-CD2 4.47Å; P269-F566 HydrophobicContact CG-CG 3.68Å; F566-V568 HydrophobicContact CE1-CG2 4.49Å
567Q82.6Confident79.6Confident34 Ų3449.8 Ų49.816%0.15926%0.262CS..  trans-133.1137.9175.5-56.1-162.1-31.300108.9H560H560-Q567 PolarHBondContact O-NE2 3.15Å
568V82.9Confident80.2Confident1 Ų149.5 Ų49.51%0.00626%0.261CS..  trans-60.4130.8176.21770000109L87 E91 F566 V571 I574L87-V568 HydrophobicContact CB-CG1 4.34Å; L87-V568 HydrophobicContact CB-CG2 4.07Å; L87-V568 WeakPolarHBondContact O-CG2 3.29Å; E91-V568 HydrophobicContact CB-CG2 3.75Å; E91-V568 VanDerWaalsContact OE2-CB 3.23Å; E91-V568 WeakPolarHBondContact OE2-CB 3.42Å; E91-V568 WeakPolarHBondContact OE2-CG2 3.46Å; E91-V568 PolarHBondContact OE2-N 3.41Å; F566-V568 HydrophobicContact CE1-CG2 4.49Å; V568-V571 HydrophobicContact CB-CG2 3.89Å; V568-V571 HydrophobicContact CG1-CG2 4.08Å; V568-V571 WeakPolarHBondContact O-CG2 3.19Å; V568-I574 HydrophobicContact CG1-CB 4.01Å; V568-I574 HydrophobicContact CG1-CD1 4.35Å; V568-I574 HydrophobicContact CG1-CG2 3.83Å
569P82.8Confident81.1Confident66 Ų6647.3 Ų47.343%0.42925%0.25SS..THydrogen-bonded Turntrans-67.5156.5175.426-30.8000110.8V571 I574P569-V571 VanDerWaalsContact C-N 3.26Å; P569-V571 PolarHBondContact O-N 3.37Å; P569-V571 VanDerWaalsContact O-N 3.07Å; P569-I574 HydrophobicContact CB-CD1 4.49Å; P569-I574 HydrophobicContact CG-CD1 3.84Å; P569-I574 WeakPolarHBondContact O-CD1 3.47Å
570L83.5Confident82Confident124 Ų12448 Ų4865%0.64925%0.252SS*.THydrogen-bonded Turntrans56.727170.3-71.8139.6000116F573 I574L570-F573 WeakPolarHBondContact O-CA 3.31Å; L570-F573 WeakPolarHBondContact O-CB 3.36Å; L570-F573 PolarHBondContact O-N 3.33Å; L570-I574 HydrophobicContact CB-CD1 4.18Å; L570-I574 HydrophobicContact CB-CG1 4.02Å; L570-I574 PolarHBondContact O-N 2.93Å
571V82.7Confident83Confident10 Ų1048.7 Ų48.76%0.06126%0.256CS..THydrogen-bonded Turntrans-62.9131.2168.4177.90000108.8F414 V568 P569 P575F414-V571 HydrophobicContact CE2-CG1 4.28Å; V568-V571 HydrophobicContact CB-CG2 3.89Å; V568-V571 HydrophobicContact CG1-CG2 4.08Å; V568-V571 WeakPolarHBondContact O-CG2 3.19Å; P569-V571 VanDerWaalsContact C-N 3.26Å; P569-V571 PolarHBondContact O-N 3.37Å; P569-V571 VanDerWaalsContact O-N 3.07Å; V571-P575 HydrophobicContact CG1-CG 4.44Å; V571-P575 HydrophobicContact CG2-CG 4.03Å
572P85.5Confident84.1Confident0 Ų044.5 Ų44.50%024%0.235CC..THydrogen-bonded Turncis-961.615.937.2-36.6000116.7L551 I554 G576L551-P572 HydrophobicContact CD2-CB 4.04Å; L551-P572 HydrophobicContact CD2-CG 4.28Å; L551-P572 WeakPolarHBondContact O-CG 3.31Å; I554-P572 HydrophobicContact CB-CB 4.1Å; I554-P572 HydrophobicContact CB-CG 3.92Å; I554-P572 HydrophobicContact CG2-CB 3.58Å; I554-P572 HydrophobicContact CG2-CG 3.77Å; P572-G576 PolarHBondContact O-N 2.81Å
573F89.7Confident85.3Confident76 Ų7642 Ų4233%0.33322%0.221SC..Hα-helixtrans-67.4-43.8-172.6-58.5-74.9000113.8L551 Y555 L570 G576 A577L551-F573 HydrophobicContact CD1-CD1 4.41Å; Y555-F573 AromaticContact CD2-CE2 3.91Å; Y555-F573 HydrophobicContact CD2-CE2 3.91Å; Y555-F573 HydrophobicContact CE2-CE2 4.35Å; Y555-F573 HydrophobicContact CG-CE2 4.29Å; Y555-F573 HydrophobicContact CG-CZ 4.45Å; L570-F573 WeakPolarHBondContact O-CA 3.31Å; L570-F573 WeakPolarHBondContact O-CB 3.36Å; L570-F573 PolarHBondContact O-N 3.33Å; F573-G576 PolarHBondContact O-N 3.15Å; F573-A577 VanDerWaalsContact O-CB 3.31Å; F573-A577 WeakPolarHBondContact O-CB 3.49Å; F573-A577 PolarHBondContact O-N 3.13Å
574I91Very high86.8Confident29 Ų2937.1 Ų37.115%0.14919%0.19CC..Hα-helixtrans-63.8-52.8178.7-66.3-173.7000111.5M84 V568 P569 L570 G576 A577 S578M84-I574 HydrophobicContact CB-CG2 4.19Å; M84-I574 VanDerWaalsContact CE-O 3.31Å; M84-I574 WeakPolarHBondContact CE-O 3.32Å; M84-I574 HydrophobicContact CG-CG2 4.31Å; V568-I574 HydrophobicContact CG1-CB 4.01Å; V568-I574 HydrophobicContact CG1-CD1 4.35Å; V568-I574 HydrophobicContact CG1-CG2 3.83Å; P569-I574 HydrophobicContact CB-CD1 4.49Å; P569-I574 HydrophobicContact CG-CD1 3.84Å; P569-I574 WeakPolarHBondContact O-CD1 3.47Å; L570-I574 HydrophobicContact CB-CD1 4.18Å; L570-I574 HydrophobicContact CB-CG1 4.02Å; L570-I574 PolarHBondContact O-N 2.93Å; I574-G576 VanDerWaalsContact C-N 3.32Å; I574-G576 PolarHBondContact O-N 3.46Å; I574-A577 PolarHBondContact O-N 3.47Å; I574-S578 PolarHBondContact O-N 3.47Å
575P90.1Very high88Confident0 Ų029.6 Ų29.60%016%0.157CC..Hα-helixtrans-61.3-38.9175.8-23.934.4000113A406 I410 V571 S578 I579A406-P575 HydrophobicContact CB-CB 4.23Å; I410-P575 HydrophobicContact CD1-CB 3.93Å; I410-P575 HydrophobicContact CG1-CB 3.84Å; I410-P575 HydrophobicContact CG1-CG 4.27Å; V571-P575 HydrophobicContact CG1-CG 4.44Å; V571-P575 HydrophobicContact CG2-CG 4.03Å; P575-S578 WeakPolarHBondContact O-CB 3.42Å; P575-S578 PolarHBondContact O-N 3.34Å; P575-I579 WeakPolarHBondContact O-CG1 3.49Å; P575-I579 PolarHBondContact O-N 3.45Å
576G91.7Very high88.6Confident0 Ų029.4 Ų29.40%016%0.155CC..Hα-helixtrans-62.4-44.8177.200000113.3F547 P572 F573 I574 S578 I579 L580F547-G576 WeakPolarHBondContact CZ-O 3.04Å; P572-G576 PolarHBondContact O-N 2.81Å; F573-G576 PolarHBondContact O-N 3.15Å; I574-G576 VanDerWaalsContact C-N 3.32Å; I574-G576 PolarHBondContact O-N 3.46Å; G576-S578 VanDerWaalsContact C-N 3.32Å; G576-I579 WeakPolarHBondContact O-CB 3.37Å; G576-I579 PolarHBondContact O-N 3.08Å; G576-L580 PolarHBondContact O-N 3.46Å
577A92.4Very high88.8Confident40 Ų4027.4 Ų27.433%0.33115%0.147SC..Hα-helixtrans-71.5-28176.600000112.1M84 F573 I574 L580 M581M84-A577 VanDerWaalsContact CE-C 3.44Å; M84-A577 HydrophobicContact CE-CB 3.3Å; F573-A577 VanDerWaalsContact O-CB 3.31Å; F573-A577 WeakPolarHBondContact O-CB 3.49Å; F573-A577 PolarHBondContact O-N 3.13Å; I574-A577 PolarHBondContact O-N 3.47Å; A577-L580 PolarHBondContact O-N 2.76Å; A577-M581 PolarHBondContact O-N 2.85Å
578S93.2Very high88.8Confident0 Ų029.7 Ų29.70%016%0.157CC..Hα-helixtrans-64.7-45.7170.4-174.70000111.2M84 I574 P575 G576 L580 M581 N582M84-S578 VanDerWaalsContact CE-N 3.3Å; I574-S578 PolarHBondContact O-N 3.47Å; P575-S578 WeakPolarHBondContact O-CB 3.42Å; P575-S578 PolarHBondContact O-N 3.34Å; G576-S578 VanDerWaalsContact C-N 3.32Å; S578-L580 VanDerWaalsContact C-N 3.33Å; S578-L580 PolarHBondContact O-N 2.88Å; S578-M581 PolarHBondContact O-N 2.97Å; S578-N582 WeakPolarHBondContact O-CB 3.35Å; S578-N582 PolarHBondContact O-N 3.48Å; S578-N582 PolarHBondContact O-ND2 3.14Å
579I93.9Very high88.8Confident0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-55.9-49.3173.9-71.1164.2000110.2T403 A406 A407 I410 V511 M512 P575 G576 M581 N582 V583T403-I579 HydrophobicContact CG2-CB 4.18Å; T403-I579 HydrophobicContact CG2-CG1 3.92Å; T403-I579 HydrophobicContact CG2-CG2 3.86Å; A406-I579 HydrophobicContact CB-CD1 4.26Å; A406-I579 HydrophobicContact CB-CG1 3.84Å; A407-I579 HydrophobicContact CB-CD1 4.32Å; I410-I579 HydrophobicContact CD1-CD1 4.46Å; V511-I579 HydrophobicContact CG1-CD1 4.31Å; M512-I579 HydrophobicContact SD-CB 4.47Å; M512-I579 HydrophobicContact SD-CD1 3.89Å; M512-I579 HydrophobicContact SD-CG1 4.07Å; M512-I579 HydrophobicContact SD-CG2 3.57Å; M512-I579 VanDerWaalsContact SD-CG2 3.57Å; P575-I579 WeakPolarHBondContact O-CG1 3.49Å; P575-I579 PolarHBondContact O-N 3.45Å; G576-I579 WeakPolarHBondContact O-CB 3.37Å; G576-I579 PolarHBondContact O-N 3.08Å; I579-M581 PolarHBondContact O-N 3.43Å; I579-N582 PolarHBondContact O-N 3.41Å; I579-V583 HydrophobicContact CG2-CG2 4.38Å; I579-V583 WeakPolarHBondContact O-CB 3.19Å; I579-V583 WeakPolarHBondContact O-CG2 3.21Å; I579-V583 PolarHBondContact O-N 2.88Å
580L93.9Very high88.7Confident48 Ų4829.1 Ų29.125%0.25115%0.153SC..Hα-helixtrans-60-47.3-179.5-173.970.7000112.3L518 F547 G576 A577 S578 V583 F584L518-L580 HydrophobicContact CD2-CD1 4.03Å; F547-L580 HydrophobicContact CE1-CD2 4.45Å; F547-L580 HydrophobicContact CE2-CB 4.36Å; F547-L580 HydrophobicContact CZ-CB 4.08Å; F547-L580 HydrophobicContact CZ-CD2 4.4Å; G576-L580 PolarHBondContact O-N 3.46Å; A577-L580 PolarHBondContact O-N 2.76Å; S578-L580 VanDerWaalsContact C-N 3.33Å; S578-L580 PolarHBondContact O-N 2.88Å; L580-V583 PolarHBondContact O-N 3.37Å; L580-F584 WeakPolarHBondContact O-CB 3.15Å; L580-F584 PolarHBondContact O-N 3.23Å
581M91.5Very high88.7Confident77 Ų7728.3 Ų28.338%0.37916%0.155SC..Hα-helixtrans-63.7-44.6178-79.8-64.4-171.400111.9A81 A577 S578 I579 V583 F584 L585A81-M581 HydrophobicContact CB-CB 4.24Å; A577-M581 PolarHBondContact O-N 2.85Å; S578-M581 PolarHBondContact O-N 2.97Å; I579-M581 PolarHBondContact O-N 3.43Å; M581-V583 VanDerWaalsContact C-N 3.34Å; M581-V583 PolarHBondContact O-N 3.39Å; M581-F584 PolarHBondContact O-N 3.08Å; M581-L585 WeakPolarHBondContact O-CG 3.15Å; M581-L585 PolarHBondContact O-N 3.45Å
582N92Very high88.5Confident0 Ų030.8 Ų30.80%017%0.166CC..Hα-helixtrans-62.5-44.1180-67-18.2000111.3L399 Y402 T403 S578 I579 L585 M586L399-N582 HydrophobicContact CB-CB 4.45Å; L399-N582 HydrophobicContact CD2-CB 4.04Å; Y402-N582 WeakPolarHBondContact CB-ND2 3.37Å; T403-N582 VanDerWaalsContact OG1-CB 3.24Å; T403-N582 WeakPolarHBondContact OG1-CB 3.3Å; S578-N582 WeakPolarHBondContact O-CB 3.35Å; S578-N582 PolarHBondContact O-N 3.48Å; S578-N582 PolarHBondContact O-ND2 3.14Å; I579-N582 PolarHBondContact O-N 3.41Å; N582-L585 PolarHBondContact O-N 3.02Å; N582-M586 VanDerWaalsContact O-CG 3.31Å; N582-M586 WeakPolarHBondContact O-CG 3.41Å; N582-M586 PolarHBondContact O-N 2.89Å
583V92.1Very high88.5Confident4 Ų430.8 Ų30.82%0.02417%0.166CC..Hα-helixtrans-63.7-42.6177172.20000111.6T403 V516 C519 I579 L580 M581 L585 M586 L587T403-V583 HydrophobicContact CG2-CG2 4.28Å; V516-V583 HydrophobicContact CB-CG1 4.29Å; V516-V583 HydrophobicContact CG2-CG1 3.82Å; V516-V583 HydrophobicContact CG2-CG2 4.24Å; C519-V583 HydrophobicContact CB-CG1 3.93Å; I579-V583 HydrophobicContact CG2-CG2 4.38Å; I579-V583 WeakPolarHBondContact O-CB 3.19Å; I579-V583 WeakPolarHBondContact O-CG2 3.21Å; I579-V583 PolarHBondContact O-N 2.88Å; L580-V583 PolarHBondContact O-N 3.37Å; M581-V583 VanDerWaalsContact C-N 3.34Å; M581-V583 PolarHBondContact O-N 3.39Å; V583-L585 PolarHBondContact O-N 3.27Å; V583-M586 HydrophobicContact CB-CE 4.21Å; V583-M586 HydrophobicContact CG2-CE 3.72Å; V583-M586 PolarHBondContact O-N 3.33Å; V583-L587 WeakPolarHBondContact O-CG 3.1Å; V583-L587 PolarHBondContact O-N 3.42Å; V583-L587 VanDerWaalsContact O-N 3.15Å
584F90.6Very high88.3Confident23 Ų2331.6 Ų31.610%0.10117%0.167CC..Hα-helixtrans-58.3-46.9174.8176.5-89.4000111.9M238 F522 V523 L580 M581 L587 K588M238-F584 HydrophobicContact CE-CD1 4.11Å; M238-F584 HydrophobicContact CE-CE1 3.25Å; M238-F584 HydrophobicContact CE-CZ 3.75Å; F522-F584 HydrophobicContact CD1-CD2 4.43Å; F522-F584 AromaticContact CD1-CE2 3.7Å; F522-F584 HydrophobicContact CD1-CE2 3.7Å; F522-F584 AromaticContact CE1-CE2 3.94Å; F522-F584 HydrophobicContact CE1-CE2 3.94Å; V523-F584 HydrophobicContact CG2-CD2 4.31Å; V523-F584 HydrophobicContact CG2-CE2 4.1Å; L580-F584 WeakPolarHBondContact O-CB 3.15Å; L580-F584 PolarHBondContact O-N 3.23Å; M581-F584 PolarHBondContact O-N 3.08Å; F584-L587 PolarHBondContact O-N 3.17Å; F584-K588 HydrophobicContact CE1-CG 4.11Å; F584-K588 HydrophobicContact CZ-CG 4.28Å; F584-K588 PolarHBondContact O-N 3.08Å
585L87.4Confident88.2Confident3 Ų335 Ų352%0.01619%0.185CC..Hα-helixtrans-65.9-38.4178.8-65.1177.6000111.9T241 A242 F245 L399 M581 N582 V583 L587 K588T241-L585 HydrophobicContact CG2-CD2 4.01Å; A242-L585 HydrophobicContact CB-CD2 3.98Å; F245-L585 HydrophobicContact CB-CD1 4.43Å; F245-L585 HydrophobicContact CD2-CD1 3.91Å; F245-L585 HydrophobicContact CG-CD1 4.3Å; L399-L585 HydrophobicContact CD1-CB 3.81Å; L399-L585 HydrophobicContact CD2-CB 4.29Å; L399-L585 HydrophobicContact CD2-CD1 4.2Å; M581-L585 WeakPolarHBondContact O-CG 3.15Å; M581-L585 PolarHBondContact O-N 3.45Å; N582-L585 PolarHBondContact O-N 3.02Å; V583-L585 PolarHBondContact O-N 3.27Å; L585-L587 VanDerWaalsContact C-N 3.3Å; L585-L587 PolarHBondContact O-N 3.34Å; L585-K588 PolarHBondContact O-N 3.42Å; L585-K588 VanDerWaalsContact O-N 3.15Å
586M88Confident88Confident15 Ų1537 Ų377%0.07419%0.192CC..Hα-helixtrans-59.9-38.1175.6-75.8-172-69.400112.7L399 L400 N582 V583 K588 L589 W594L399-M586 HydrophobicContact CB-CG 3.48Å; L399-M586 VanDerWaalsContact CB-CG 3.48Å; L399-M586 HydrophobicContact CB-SD 3.89Å; L399-M586 HydrophobicContact CD1-CG 3.69Å; L399-M586 HydrophobicContact CG-CG 4.22Å; L400-M586 HydrophobicContact CB-SD 4.19Å; N582-M586 VanDerWaalsContact O-CG 3.31Å; N582-M586 WeakPolarHBondContact O-CG 3.41Å; N582-M586 PolarHBondContact O-N 2.89Å; V583-M586 HydrophobicContact CB-CE 4.21Å; V583-M586 HydrophobicContact CG2-CE 3.72Å; V583-M586 PolarHBondContact O-N 3.33Å; M586-K588 VanDerWaalsContact C-N 3.28Å; M586-K588 PolarHBondContact O-N 2.87Å; M586-L589 WeakPolarHBondContact O-CB 3.2Å; M586-L589 PolarHBondContact O-N 3.12Å; M586-W594 HydrophobicContact CB-CZ2 4.1Å; M586-W594 PolarHBondContact O-NE1 3.14Å
587L87.4Confident87.8Confident25 Ų2537.8 Ų37.813%0.13120%0.196CC..Hα-helixtrans-75.2-15.7179.2-65.5-175.8000113.8C519 A520 V523 F524 V583 F584 L585 L589 W594C519-L587 HydrophobicContact CB-CD1 3.51Å; A520-L587 HydrophobicContact CB-CD1 4.12Å; A520-L587 VanDerWaalsContact N-CD1 3.3Å; V523-L587 HydrophobicContact CB-CB 4.46Å; V523-L587 HydrophobicContact CG1-CB 4.46Å; V523-L587 HydrophobicContact CG2-CB 4.14Å; F524-L587 HydrophobicContact CE2-CD1 4.5Å; F524-L587 HydrophobicContact CE2-CD2 4.22Å; V583-L587 WeakPolarHBondContact O-CG 3.1Å; V583-L587 PolarHBondContact O-N 3.42Å; V583-L587 VanDerWaalsContact O-N 3.15Å; F584-L587 PolarHBondContact O-N 3.17Å; L585-L587 VanDerWaalsContact C-N 3.3Å; L585-L587 PolarHBondContact O-N 3.34Å; L587-L589 VanDerWaalsContact C-N 3.34Å; L587-W594 HydrophobicContact CD2-CZ2 4.12Å
588K83.3Confident87.7Confident83 Ų8340 Ų4036%0.36121%0.205SC..THydrogen-bonded Turntrans-84.7-7.4173.4-71.9-65.4-171.4-178.60113.3V523 F584 L585 M586V523-K588 HydrophobicContact CG1-CD 4.35Å; V523-K588 HydrophobicContact CG2-CD 4.44Å; F584-K588 HydrophobicContact CE1-CG 4.11Å; F584-K588 HydrophobicContact CZ-CG 4.28Å; F584-K588 PolarHBondContact O-N 3.08Å; L585-K588 PolarHBondContact O-N 3.42Å; L585-K588 VanDerWaalsContact O-N 3.15Å; M586-K588 VanDerWaalsContact C-N 3.28Å; M586-K588 PolarHBondContact O-N 2.87Å
589L81.4Confident87.6Confident20 Ų2044.7 Ų44.711%0.10523%0.234CC..SBendtrans-74160.5175.4-63173.9000111.9I396 M586 L587 T593I396-L589 HydrophobicContact CB-CD1 3.65Å; I396-L589 HydrophobicContact CG1-CD1 4.38Å; M586-L589 WeakPolarHBondContact O-CB 3.2Å; M586-L589 PolarHBondContact O-N 3.12Å; L587-L589 VanDerWaalsContact C-N 3.34Å; L589-T593 HydrophobicContact CB-CG2 4.46Å; L589-T593 HydrophobicContact CD1-CG2 4.29Å
590S81.6Confident87.4Confident35 Ų3546.9 Ų46.925%0.24524%0.242CC..  trans-63.7145-178.963.30000112.1Q392 M592 T593Q392-S590 PolarHBondContact OE1-OG 3.49Å; S590-M592 PolarHBondContact O-N 3.02Å; S590-M592 VanDerWaalsContact O-N 3.14Å; S590-T593 WeakPolarHBondContact O-CB 3.45Å; S590-T593 PolarHBondContact O-N 2.69Å; S590-T593 PolarHBondContact OG-OG1 2.98Å
591P83.2Confident87.3Confident106 Ų10646.3 Ų46.369%0.68824%0.241SC*.Hα-helixtrans-57.2-30.7176.4-25.734.3000113.4T593 W594 I595P591-T593 VanDerWaalsContact C-N 3.26Å; P591-T593 PolarHBondContact O-N 3.27Å; P591-W594 WeakPolarHBondContact O-CB 3.37Å; P591-W594 PolarHBondContact O-N 3.49Å; P591-I595 PolarHBondContact O-N 3.38Å
592M79.5Confident87.4Confident62 Ų6244.8 Ų44.831%0.30524%0.24SC..Hα-helixtrans-64.6-32.2177.3-166.261.1-176.600112.4Y164 S590 W594 I595 R596Y164-M592 HydrophobicContact CD1-CG 4.27Å; Y164-M592 HydrophobicContact CG-CE 4.44Å; S590-M592 PolarHBondContact O-N 3.02Å; S590-M592 VanDerWaalsContact O-N 3.14Å; M592-W594 VanDerWaalsContact C-N 3.31Å; M592-W594 PolarHBondContact O-N 3.06Å; M592-I595 PolarHBondContact O-N 2.76Å; M592-I595 HydrophobicContact SD-CD1 4.15Å; M592-R596 WeakPolarHBondContact O-CG 3.39Å; M592-R596 PolarHBondContact O-N 3.08Å
593T84Confident87.4Confident0 Ų046.7 Ų46.70%026%0.256CS..Hα-helixtrans-61.1-41.5175.5-62.30000111.1Q392 I396 L589 S590 P591 I595 R596 F597Q392-T593 WeakPolarHBondContact O-CG2 3.5Å; I396-T593 HydrophobicContact CB-CG2 3.74Å; I396-T593 HydrophobicContact CD1-CG2 4.07Å; I396-T593 HydrophobicContact CG2-CG2 3.36Å; L589-T593 HydrophobicContact CB-CG2 4.46Å; L589-T593 HydrophobicContact CD1-CG2 4.29Å; S590-T593 WeakPolarHBondContact O-CB 3.45Å; S590-T593 PolarHBondContact O-N 2.69Å; S590-T593 PolarHBondContact OG-OG1 2.98Å; P591-T593 VanDerWaalsContact C-N 3.26Å; P591-T593 PolarHBondContact O-N 3.27Å; T593-I595 PolarHBondContact O-N 3.43Å; T593-R596 PolarHBondContact O-N 3.22Å; T593-F597 VanDerWaalsContact O-CB 3.3Å; T593-F597 WeakPolarHBondContact O-CB 3.32Å; T593-F597 PolarHBondContact O-N 3.21Å
594W86.7Confident87.4Confident94 Ų9446.5 Ų46.536%0.35626%0.255SS..Hα-helixtrans-65.2-38.3176.6-75.492.9000113.1I396 M586 L587 P591 M592 T598I396-W594 HydrophobicContact CD1-CD2 3.7Å; I396-W594 HydrophobicContact CD1-CE3 3.89Å; I396-W594 HydrophobicContact CD1-CG 4.16Å; I396-W594 HydrophobicContact CD1-CH2 4.27Å; I396-W594 HydrophobicContact CD1-CZ2 4.09Å; I396-W594 HydrophobicContact CD1-CZ3 4.17Å; M586-W594 HydrophobicContact CB-CZ2 4.1Å; M586-W594 PolarHBondContact O-NE1 3.14Å; L587-W594 HydrophobicContact CD2-CZ2 4.12Å; P591-W594 WeakPolarHBondContact O-CB 3.37Å; P591-W594 PolarHBondContact O-N 3.49Å; M592-W594 VanDerWaalsContact C-N 3.31Å; M592-W594 PolarHBondContact O-N 3.06Å; W594-T598 WeakPolarHBondContact O-CB 3.42Å; W594-T598 PolarHBondContact O-N 2.82Å; W594-T598 PolarHBondContact O-OG1 3.16Å
595I88.2Confident87.5Confident99 Ų9947.9 Ų47.951%0.50826%0.263SS..Hα-helixtrans-63.5-51.1176.3-63.5171.9000109.9P591 M592 T593 F597 T598 V599P591-I595 PolarHBondContact O-N 3.38Å; M592-I595 PolarHBondContact O-N 2.76Å; M592-I595 HydrophobicContact SD-CD1 4.15Å; T593-I595 PolarHBondContact O-N 3.43Å; I595-F597 VanDerWaalsContact C-N 3.31Å; I595-F597 PolarHBondContact O-N 2.7Å; I595-T598 PolarHBondContact O-N 3.18Å; I595-V599 WeakPolarHBondContact O-CG2 3.18Å; I595-V599 PolarHBondContact O-N 3.47Å
596R85.9Confident87.8Confident43 Ų4354.1 Ų54.116%0.16230%0.295CS..Hα-helixtrans-57.6-44.6178.2-69.6172.5177.1177.9-3.4111.7Y164 F393 M592 T593 V599 W600Y164-R596 PolarHBondContact O-NH2 3.5Å; Y164-R596 VanDerWaalsContact O-NH2 3.14Å; F393-R596 HydrophobicContact CD2-CB 4.02Å; F393-R596 HydrophobicContact CE1-CB 4.42Å; F393-R596 HydrophobicContact CE2-CB 3.82Å; F393-R596 HydrophobicContact CG-CB 4.45Å; F393-R596 HydrophobicContact CZ-CB 4.04Å; M592-R596 WeakPolarHBondContact O-CG 3.39Å; M592-R596 PolarHBondContact O-N 3.08Å; T593-R596 PolarHBondContact O-N 3.22Å; R596-V599 PolarHBondContact O-N 2.82Å; R596-W600 PolarHBondContact O-N 3Å
597F88.1Confident87.9Confident16 Ų1654.9 Ų54.97%0.0730%0.301CS..Hα-helixtrans-63.2-43.3177.5-175.1-105.2000112.5N121 F393 I396 L400 T593 I595 V599 W600 V601N121-F597 WeakPolarHBondContact OD1-CE2 3.37Å; F393-F597 HydrophobicContact CE2-CB 4.06Å; F393-F597 HydrophobicContact CE2-CD2 4.41Å; I396-F597 HydrophobicContact CD1-CB 4.05Å; I396-F597 HydrophobicContact CD1-CD1 4.2Å; I396-F597 HydrophobicContact CD1-CG 4.08Å; I396-F597 HydrophobicContact CG1-CG 4.28Å; I396-F597 HydrophobicContact CG2-CB 4.2Å; I396-F597 HydrophobicContact CG2-CD2 4.09Å; I396-F597 HydrophobicContact CG2-CG 4.29Å; L400-F597 HydrophobicContact CD1-CE1 3.75Å; L400-F597 HydrophobicContact CD1-CZ 3.63Å; L400-F597 HydrophobicContact CD2-CZ 4.34Å; L400-F597 HydrophobicContact CG-CZ 4.41Å; T593-F597 VanDerWaalsContact O-CB 3.3Å; T593-F597 WeakPolarHBondContact O-CB 3.32Å; T593-F597 PolarHBondContact O-N 3.21Å; I595-F597 VanDerWaalsContact C-N 3.31Å; I595-F597 PolarHBondContact O-N 2.7Å; F597-V599 PolarHBondContact O-N 2.77Å; F597-W600 PolarHBondContact O-N 3.48Å; F597-V601 HydrophobicContact CD1-CG2 4.12Å; F597-V601 HydrophobicContact CD2-CG2 4.46Å; F597-V601 HydrophobicContact CE1-CG2 3.62Å; F597-V601 HydrophobicContact CE2-CG2 3.99Å; F597-V601 HydrophobicContact CZ-CG2 3.53Å; F597-V601 WeakPolarHBondContact O-CG2 3.47Å; F597-V601 PolarHBondContact O-N 2.92Å
598T89.7Confident88Confident87 Ų8753.7 Ų53.753%0.53430%0.295SS..Hα-helixtrans-62.6-43.1177.8-57.10000111.6W594 I595 W600 V601 A602W594-T598 WeakPolarHBondContact O-CB 3.42Å; W594-T598 PolarHBondContact O-N 2.82Å; W594-T598 PolarHBondContact O-OG1 3.16Å; I595-T598 PolarHBondContact O-N 3.18Å; T598-W600 VanDerWaalsContact C-N 3.32Å; T598-W600 PolarHBondContact O-N 3.46Å; T598-V601 PolarHBondContact O-N 3.01Å; T598-A602 WeakPolarHBondContact O-CB 3.44Å; T598-A602 PolarHBondContact O-N 2.85Å
599V91.1Very high88.4Confident98 Ų9853.8 Ų53.859%0.59430%0.295SS*.Hα-helixtrans-61.2-42.4175.3173.20000110.9I595 R596 F597 A602 A603I595-V599 WeakPolarHBondContact O-CG2 3.18Å; I595-V599 PolarHBondContact O-N 3.47Å; R596-V599 PolarHBondContact O-N 2.82Å; F597-V599 PolarHBondContact O-N 2.77Å; V599-A602 PolarHBondContact O-N 3.34Å; V599-A603 PolarHBondContact O-N 3.25Å
600W90.6Very high88.7Confident46 Ų4655.6 Ų55.617%0.17432%0.319CS..Hα-helixtrans-65.1-45.3177.7-179.7-108.3000113.3W120 L124 M127 F393 R596 F597 T598 A602 A603 G604W120-W600 AromaticContact CD1-CD1 3.68Å; W120-W600 AromaticContact CD1-CE2 3.75Å; W120-W600 AromaticContact CD1-NE1 3.21Å; W120-W600 AromaticContact CD2-CZ2 3.9Å; W120-W600 HydrophobicContact CD2-CZ2 3.9Å; W120-W600 AromaticContact CE2-CE2 3.36Å; W120-W600 AromaticContact CE2-CH2 3.91Å; W120-W600 AromaticContact CE2-CZ2 3.31Å; W120-W600 AromaticContact CE2-NE1 3.71Å; W120-W600 HydrophobicContact CE3-CZ2 4.37Å; W120-W600 HydrophobicContact CG-CZ2 4.5Å; W120-W600 AromaticContact CG-NE1 3.93Å; W120-W600 AromaticContact CH2-CH2 3.74Å; W120-W600 HydrophobicContact CH2-CH2 3.74Å; W120-W600 AromaticContact CH2-CZ2 3.86Å; W120-W600 HydrophobicContact CH2-CZ2 3.86Å; W120-W600 HydrophobicContact CH2-CZ3 4.43Å; W120-W600 HydrophobicContact CZ2-CD2 4.13Å; W120-W600 AromaticContact CZ2-CE2 3.7Å; W120-W600 HydrophobicContact CZ2-CE3 4.16Å; W120-W600 AromaticContact CZ2-CH2 3.38Å; W120-W600 HydrophobicContact CZ2-CH2 3.38Å; W120-W600 AromaticContact CZ2-CZ2 3.31Å; W120-W600 HydrophobicContact CZ2-CZ2 3.31Å; W120-W600 AromaticContact CZ2-CZ3 3.82Å; W120-W600 HydrophobicContact CZ2-CZ3 3.82Å; W120-W600 HydrophobicContact CZ3-CZ2 4.35Å; W120-W600 AromaticContact NE1-CD1 3.5Å; W120-W600 AromaticContact NE1-CD2 3.58Å; W120-W600 AromaticContact NE1-CE2 3.12Å; W120-W600 AromaticContact NE1-CG 3.81Å; W120-W600 AromaticContact NE1-CZ2 3.63Å; W120-W600 AromaticContact NE1-NE1 3.05Å; W120-W600 PolarHBondContact NE1-O 3.01Å; W120-W600 PolarHBondContact O-NE1 2.9Å; L124-W600 HydrophobicContact CB-CD2 4.33Å; L124-W600 HydrophobicContact CB-CZ2 3.67Å; L124-W600 VanDerWaalsContact CB-NE1 3.32Å; L124-W600 HydrophobicContact CD1-CB 4.13Å; L124-W600 HydrophobicContact CD1-CD2 3.19Å; L124-W600 HydrophobicContact CD1-CE3 3.71Å; L124-W600 HydrophobicContact CD1-CG 3.37Å; L124-W600 HydrophobicContact CD1-CH2 4.31Å; L124-W600 HydrophobicContact CD1-CZ2 3.89Å; L124-W600 HydrophobicContact CD1-CZ3 4.23Å; L124-W600 HydrophobicContact CG-CD2 4.34Å; L124-W600 HydrophobicContact CG-CG 4.48Å; L124-W600 HydrophobicContact CG-CZ2 4.38Å; M127-W600 HydrophobicContact CE-CH2 4Å; M127-W600 HydrophobicContact CE-CZ3 4.4Å; F393-W600 HydrophobicContact CZ-CB 4.29Å; R596-W600 PolarHBondContact O-N 3Å; F597-W600 PolarHBondContact O-N 3.48Å; T598-W600 VanDerWaalsContact C-N 3.32Å; T598-W600 PolarHBondContact O-N 3.46Å; W600-A602 VanDerWaalsContact C-N 3.3Å; W600-A602 PolarHBondContact O-N 3.41Å; W600-A603 WeakPolarHBondContact O-CB 3.32Å; W600-A603 PolarHBondContact O-N 2.99Å; W600-G604 PolarHBondContact O-N 3.4Å
601V91Very high89.1Confident37 Ų3756.1 Ų56.122%0.22432%0.316CS..Hα-helixtrans-62-41.2176.41710000110.4L117 F597 T598 A603 G604 L605L117-V601 HydrophobicContact CD2-CG1 4.12Å; F597-V601 HydrophobicContact CD1-CG2 4.12Å; F597-V601 HydrophobicContact CD2-CG2 4.46Å; F597-V601 HydrophobicContact CE1-CG2 3.62Å; F597-V601 HydrophobicContact CE2-CG2 3.99Å; F597-V601 HydrophobicContact CZ-CG2 3.53Å; F597-V601 WeakPolarHBondContact O-CG2 3.47Å; F597-V601 PolarHBondContact O-N 2.92Å; T598-V601 PolarHBondContact O-N 3.01Å; V601-A603 PolarHBondContact O-N 3.49Å; V601-G604 PolarHBondContact O-N 2.95Å; V601-L605 HydrophobicContact CG1-CD1 4.17Å; V601-L605 HydrophobicContact CG1-CG 4.45Å; V601-L605 WeakPolarHBondContact O-CG 3.19Å; V601-L605 PolarHBondContact O-N 2.98Å
602A92.9Very high89.1Confident45 Ų4551.1 Ų51.137%0.37228%0.283SS..Hα-helixtrans-60.7-43.9175.100000111.9T598 V599 W600 G604 L605 L606T598-A602 WeakPolarHBondContact O-CB 3.44Å; T598-A602 PolarHBondContact O-N 2.85Å; V599-A602 PolarHBondContact O-N 3.34Å; W600-A602 VanDerWaalsContact C-N 3.3Å; W600-A602 PolarHBondContact O-N 3.41Å; A602-G604 VanDerWaalsContact C-N 3.33Å; A602-G604 PolarHBondContact O-N 3.4Å; A602-L605 PolarHBondContact O-N 2.95Å; A602-L606 WeakPolarHBondContact O-CG 3.4Å; A602-L606 PolarHBondContact O-N 2.83Å
603A93.1Very high89.4Confident40 Ų4048.8 Ų48.833%0.33127%0.272SS..Hα-helixtrans-60.3-41.8174.700000112.1W120 V599 W600 V601 L606 V607W120-A603 HydrophobicContact CZ2-CB 4.5Å; V599-A603 PolarHBondContact O-N 3.25Å; W600-A603 WeakPolarHBondContact O-CB 3.32Å; W600-A603 PolarHBondContact O-N 2.99Å; V601-A603 PolarHBondContact O-N 3.49Å; A603-L606 WeakPolarHBondContact O-CB 3.46Å; A603-L606 PolarHBondContact O-N 2.87Å; A603-V607 WeakPolarHBondContact O-CG2 3.36Å; A603-V607 PolarHBondContact O-N 3.44Å; A603-V607 VanDerWaalsContact O-N 3.12Å
604G91.4Very high89.3Confident0 Ų057.1 Ų57.10%030%0.303CS..Hα-helixtrans-62-47.117500000112.6F116 W600 V601 A602 L606 V607 Y608F116-G604 WeakPolarHBondContact CE1-O 3.29Å; W600-G604 PolarHBondContact O-N 3.4Å; V601-G604 PolarHBondContact O-N 2.95Å; A602-G604 VanDerWaalsContact C-N 3.33Å; A602-G604 PolarHBondContact O-N 3.4Å; G604-L606 VanDerWaalsContact C-N 3.27Å; G604-L606 PolarHBondContact O-N 2.88Å; G604-V607 WeakPolarHBondContact O-CB 3.43Å; G604-V607 PolarHBondContact O-N 3.44Å; G604-V607 VanDerWaalsContact O-N 3.08Å; G604-Y608 PolarHBondContact O-N 2.96Å
605L92.3Very high89.1Confident51 Ų5156.9 Ų56.927%0.26731%0.306SS..Hα-helixtrans-59.3-39176.9-73.1173000111.8L117 V601 A602 V607 Y608 F609L117-L605 HydrophobicContact CD1-CD2 4.39Å; L117-L605 HydrophobicContact CD2-CD2 3.7Å; L117-L605 HydrophobicContact CD2-CG 3.98Å; L117-L605 HydrophobicContact CG-CD2 4.31Å; V601-L605 HydrophobicContact CG1-CD1 4.17Å; V601-L605 HydrophobicContact CG1-CG 4.45Å; V601-L605 WeakPolarHBondContact O-CG 3.19Å; V601-L605 PolarHBondContact O-N 2.98Å; A602-L605 PolarHBondContact O-N 2.95Å; L605-V607 PolarHBondContact O-N 3.45Å; L605-Y608 PolarHBondContact O-N 2.75Å; L605-F609 HydrophobicContact CB-CD2 4.28Å; L605-F609 HydrophobicContact CB-CE2 4.28Å; L605-F609 HydrophobicContact CD2-CE2 3.94Å; L605-F609 WeakPolarHBondContact O-CB 3.49Å; L605-F609 WeakPolarHBondContact O-CD2 3.43Å; L605-F609 PolarHBondContact O-N 2.73Å
606L93.4Very high88.9Confident134 Ų13452.2 Ų52.270%0.70228%0.282SS*.Hα-helixtrans-61.1-43.1174-70.8172.6000112A602 A603 G604 G610A602-L606 WeakPolarHBondContact O-CG 3.4Å; A602-L606 PolarHBondContact O-N 2.83Å; A603-L606 WeakPolarHBondContact O-CB 3.46Å; A603-L606 PolarHBondContact O-N 2.87Å; G604-L606 VanDerWaalsContact C-N 3.27Å; G604-L606 PolarHBondContact O-N 2.88Å; L606-G610 WeakPolarHBondContact O-CA 3.49Å; L606-G610 PolarHBondContact O-N 2.71Å
607V91.9Very high88.7Confident32 Ų3255 Ų5519%0.19430%0.295CS..Hα-helixtrans-64.4-42.3175.6174.60000111.2F116 F353 F354 A603 G604 L605 Y611 G612F116-V607 HydrophobicContact CZ-CB 4.29Å; F116-V607 HydrophobicContact CZ-CG1 4.16Å; F353-V607 HydrophobicContact CD2-CG1 4.15Å; F353-V607 HydrophobicContact CE2-CG1 4.1Å; F354-V607 HydrophobicContact CE2-CG1 4.21Å; F354-V607 HydrophobicContact CZ-CG1 4.27Å; A603-V607 WeakPolarHBondContact O-CG2 3.36Å; A603-V607 PolarHBondContact O-N 3.44Å; A603-V607 VanDerWaalsContact O-N 3.12Å; G604-V607 WeakPolarHBondContact O-CB 3.43Å; G604-V607 PolarHBondContact O-N 3.44Å; G604-V607 VanDerWaalsContact O-N 3.08Å; L605-V607 PolarHBondContact O-N 3.45Å; V607-Y611 WeakPolarHBondContact O-CB 3.47Å; V607-Y611 PolarHBondContact O-N 2.92Å; V607-G612 PolarHBondContact O-N 3.08Å
608Y89.7Confident88.2Confident0 Ų055.1 Ų55.10%030%0.296CS..Iπ-helixtrans-65.5-50.6-180-178.2-102.6000112.8L18 E112 I113 F116 L352 G604 L605 G610 G612 I613L18-Y608 HydrophobicContact CD2-CE1 3.68Å; E112-Y608 HydrophobicContact CG-CE2 4.24Å; E112-Y608 PolarHBondContact OE1-OH 2.91Å; I113-Y608 HydrophobicContact CB-CE1 4.17Å; I113-Y608 HydrophobicContact CD1-CE1 4.3Å; I113-Y608 HydrophobicContact CG1-CD1 4.4Å; I113-Y608 HydrophobicContact CG1-CE1 4Å; F116-Y608 HydrophobicContact CB-CD2 3.65Å; F116-Y608 HydrophobicContact CB-CE2 3.89Å; F116-Y608 HydrophobicContact CB-CG 4.49Å; F116-Y608 AromaticContact CD1-CD2 3.79Å; F116-Y608 HydrophobicContact CD1-CD2 3.79Å; F116-Y608 AromaticContact CD1-CG 3.95Å; F116-Y608 HydrophobicContact CD1-CG 3.95Å; F116-Y608 AromaticContact CD2-CD2 3.81Å; F116-Y608 HydrophobicContact CD2-CD2 3.81Å; F116-Y608 HydrophobicContact CE1-CD2 4.46Å; F116-Y608 HydrophobicContact CE1-CG 4.41Å; F116-Y608 HydrophobicContact CE2-CD2 4.42Å; F116-Y608 AromaticContact CG-CD2 3.43Å; F116-Y608 HydrophobicContact CG-CD2 3.43Å; F116-Y608 VanDerWaalsContact CG-CD2 3.43Å; F116-Y608 HydrophobicContact CG-CE2 4.18Å; F116-Y608 HydrophobicContact CG-CG 4.08Å; L352-Y608 HydrophobicContact CD2-CE2 4.34Å; G604-Y608 PolarHBondContact O-N 2.96Å; L605-Y608 PolarHBondContact O-N 2.75Å; Y608-G610 VanDerWaalsContact C-N 3.32Å; Y608-G610 PolarHBondContact O-N 3.46Å; Y608-G612 WeakPolarHBondContact O-CA 3.31Å; Y608-G612 PolarHBondContact O-N 3.44Å; Y608-I613 HydrophobicContact CE1-CB 4.3Å; Y608-I613 PolarHBondContact O-N 2.83Å
609F90Very high87.5Confident84 Ų8451.2 Ų51.237%0.36827%0.273SS..Iπ-helixtrans-71.2-29.5179.8-71-61.4000112.5F14 L18 I113 L605 W614F14-F609 HydrophobicContact CZ-CD1 4.46Å; F14-F609 AromaticContact CZ-CE1 3.84Å; F14-F609 HydrophobicContact CZ-CE1 3.84Å; L18-F609 HydrophobicContact CD2-CE1 4.09Å; I113-F609 HydrophobicContact CD1-CZ 4.18Å; L605-F609 HydrophobicContact CB-CD2 4.28Å; L605-F609 HydrophobicContact CB-CE2 4.28Å; L605-F609 HydrophobicContact CD2-CE2 3.94Å; L605-F609 WeakPolarHBondContact O-CB 3.49Å; L605-F609 WeakPolarHBondContact O-CD2 3.43Å; L605-F609 PolarHBondContact O-N 2.73Å; F609-W614 PolarHBondContact O-NE1 3.05Å
610G88.4Confident86.5Confident58 Ų5851.1 Ų51.160%0.59827%0.269SS*.Iπ-helixtrans-76.7-39.1176.700000114L606 Y608L606-G610 WeakPolarHBondContact O-CA 3.49Å; L606-G610 PolarHBondContact O-N 2.71Å; Y608-G610 VanDerWaalsContact C-N 3.32Å; Y608-G610 PolarHBondContact O-N 3.46Å
611Y89.4Confident85.5Confident47 Ų4754.1 Ų54.118%0.18428%0.281CS..Iπ-helixtrans-125.8-54.9-172.7-176.8-92.6000113.3F353 F354 A355 V607 I613 W614 H615F353-Y611 VanDerWaalsContact C-CE1 3.46Å; F353-Y611 VanDerWaalsContact O-CE1 3.29Å; F353-Y611 WeakPolarHBondContact O-CE1 3.35Å; F354-Y611 HydrophobicContact CD1-CD1 4.23Å; F354-Y611 AromaticContact CD1-CD2 3.96Å; F354-Y611 HydrophobicContact CD1-CD2 3.96Å; F354-Y611 HydrophobicContact CD1-CE1 4.37Å; F354-Y611 HydrophobicContact CD1-CE2 4.11Å; F354-Y611 HydrophobicContact CD1-CG 4.02Å; F354-Y611 HydrophobicContact CE1-CD2 4.09Å; F354-Y611 HydrophobicContact CE1-CG 4.04Å; A355-Y611 PolarHBondContact N-OH 3.22Å; V607-Y611 WeakPolarHBondContact O-CB 3.47Å; V607-Y611 PolarHBondContact O-N 2.92Å; Y611-I613 PolarHBondContact O-N 2.77Å; Y611-W614 PolarHBondContact O-N 2.98Å; Y611-H615 HydrophobicContact CD1-CB 4.47Å; Y611-H615 AromaticContact CD2-CE1 3.72Å; Y611-H615 AromaticContact CD2-ND1 3.62Å; Y611-H615 HydrophobicContact CE1-CB 4Å; Y611-H615 AromaticContact CE2-CD2 3.98Å; Y611-H615 AromaticContact CE2-CE1 3.59Å; Y611-H615 AromaticContact CE2-CG 3.85Å; Y611-H615 AromaticContact CE2-ND1 3.6Å; Y611-H615 AromaticContact CE2-NE2 3.81Å; Y611-H615 AromaticContact CG-ND1 3.98Å; Y611-H615 AromaticContact CZ-CD2 3.99Å; Y611-H615 AromaticContact CZ-CG 3.75Å; Y611-H615 AromaticContact CZ-ND1 3.94Å; Y611-H615 PolarHBondContact O-N 3.24Å; Y611-H615 PolarHBondContact O-ND1 2.86Å
612G83.7Confident84.2Confident0 Ų058.2 Ų58.20%030%0.297CS..Iπ-helixtrans-60.4-45.8-167.600000114.6L352 V607 Y608 W614 H615 S616L352-G612 WeakPolarHBondContact O-CA 3.14Å; V607-G612 PolarHBondContact O-N 3.08Å; Y608-G612 WeakPolarHBondContact O-CA 3.31Å; Y608-G612 PolarHBondContact O-N 3.44Å; G612-W614 PolarHBondContact O-N 3.07Å; G612-W614 VanDerWaalsContact O-N 3.14Å; G612-H615 PolarHBondContact O-N 2.88Å; G612-S616 PolarHBondContact O-N 3.43Å
613I84.9Confident82.6Confident14 Ų1462.5 Ų62.57%0.07231%0.313CS..Hα-helixtrans-62-26.2-178.5-165171.8000113.1F14 L18 Y608 Y611F14-I613 HydrophobicContact CD2-CD1 4.46Å; F14-I613 HydrophobicContact CE2-CD1 3.94Å; L18-I613 HydrophobicContact CD2-CD1 3.84Å; Y608-I613 HydrophobicContact CE1-CB 4.3Å; Y608-I613 PolarHBondContact O-N 2.83Å; Y611-I613 PolarHBondContact O-N 2.77Å
614W81.9Confident80.6Confident174 Ų17467 Ų6766%0.65933%0.327SS*.Hα-helixtrans-91.1-26.5-178.1-59.1101.1000112.9F609 Y611 G612F609-W614 PolarHBondContact O-NE1 3.05Å; Y611-W614 PolarHBondContact O-N 2.98Å; G612-W614 PolarHBondContact O-N 3.07Å; G612-W614 VanDerWaalsContact O-N 3.14Å
615H83.6Confident78.3Confident89 Ų8971 Ų7141%0.41235%0.354SS..Hα-helixtrans-106.60.1-175.2-65.682.8000113.7G351 Y611 G612 K617G351-H615 WeakPolarHBondContact CA-O 3.32Å; G351-H615 CarbonylContact O-C 3.36Å; G351-H615 VanDerWaalsContact O-CB 3.3Å; G351-H615 WeakPolarHBondContact O-CB 3.27Å; Y611-H615 HydrophobicContact CD1-CB 4.47Å; Y611-H615 AromaticContact CD2-CE1 3.72Å; Y611-H615 AromaticContact CD2-ND1 3.62Å; Y611-H615 HydrophobicContact CE1-CB 4Å; Y611-H615 AromaticContact CE2-CD2 3.98Å; Y611-H615 AromaticContact CE2-CE1 3.59Å; Y611-H615 AromaticContact CE2-CG 3.85Å; Y611-H615 AromaticContact CE2-ND1 3.6Å; Y611-H615 AromaticContact CE2-NE2 3.81Å; Y611-H615 AromaticContact CG-ND1 3.98Å; Y611-H615 AromaticContact CZ-CD2 3.99Å; Y611-H615 AromaticContact CZ-CG 3.75Å; Y611-H615 AromaticContact CZ-ND1 3.94Å; Y611-H615 PolarHBondContact O-N 3.24Å; Y611-H615 PolarHBondContact O-ND1 2.86Å; G612-H615 PolarHBondContact O-N 2.88Å; H615-K617 PolarHBondContact O-N 3.16Å
616S84.7Confident76.2Confident2 Ų278.6 Ų78.61%0.01438%0.384CS..  trans-52.9122.3175.6169.80000112.1E112 G612 E618 G619 L620E112-S616 VanDerWaalsContact CD-OG 3.22Å; E112-S616 WeakPolarHBondContact OE1-CB 3.33Å; E112-S616 PolarHBondContact OE1-OG 3.27Å; E112-S616 PolarHBondContact OE2-OG 3.35Å; G612-S616 PolarHBondContact O-N 3.43Å; S616-E618 PolarHBondContact O-N 3.34Å; S616-G619 WeakPolarHBondContact O-CA 3.38Å; S616-G619 PolarHBondContact O-N 3.38Å; S616-G619 VanDerWaalsContact O-N 3.16Å; S616-G619 PolarHBondContact OG-N 3.09Å; S616-L620 PolarHBondContact O-N 3.02Å; S616-L620 VanDerWaalsContact O-N 3.16Å
617K80.5Confident73.6Confident100 Ų10079.3 Ų79.344%0.43539%0.389SS..Hα-helixtrans-65.3-36.3178-76.2-171.1178.4167.30112.9E349 D350 H615 G619 L620 R621E349-K617 WeakPolarHBondContact O-CD 3.45Å; E349-K617 WeakPolarHBondContact O-CE 3.16Å; E349-K617 PolarHBondContact O-NZ 3.49Å; D350-K617 PolarHBondContact O-N 3.27Å; D350-K617 VanDerWaalsContact O-N 3.08Å; H615-K617 PolarHBondContact O-N 3.16Å; K617-G619 PolarHBondContact O-N 3.44Å; K617-L620 WeakPolarHBondContact O-CB 3.26Å; K617-L620 PolarHBondContact O-N 2.85Å; K617-L620 VanDerWaalsContact O-N 3.1Å; K617-R621 PolarHBondContact O-N 3.21Å
618E78.9Confident71.3Confident19 Ų1985.6 Ų85.69%0.08942%0.418CS..Hα-helixtrans-65-32.8175.4-67.9-60.4123.300110.5S616 R621 E622S616-E618 PolarHBondContact O-N 3.34Å; E618-R621 PolarHBondContact O-N 3.32Å; E618-R621 WeakPolarHBondContact OE1-CD 3.47Å; E618-R621 IonicContact OE1-CZ 3.96Å; E618-R621 IonicContact OE1-NH1 3.49Å; E618-R621 PolarHBondContact OE1-NH1 2.87Å; E618-E622 PolarHBondContact O-N 2.97Å
619G74.1Confident68.7Low5 Ų589.4 Ų89.45%0.05245%0.449CS..Hα-helixtrans-65.2-35.6170.100000115.1S616 K617 L623S616-G619 WeakPolarHBondContact O-CA 3.38Å; S616-G619 PolarHBondContact O-N 3.38Å; S616-G619 VanDerWaalsContact O-N 3.16Å; S616-G619 PolarHBondContact OG-N 3.09Å; K617-G619 PolarHBondContact O-N 3.44Å; G619-L623 WeakPolarHBondContact O-CD1 3.47Å; G619-L623 WeakPolarHBondContact O-CG 3.05Å; G619-L623 PolarHBondContact O-N 3.23Å
620L70.6Confident66.2Low97 Ų9788.4 Ų88.451%0.50846%0.456SS..Hα-helixtrans-72.3-36.3173.8-67.5168.6000111.8S616 K617 L623 Q624S616-L620 PolarHBondContact O-N 3.02Å; S616-L620 VanDerWaalsContact O-N 3.16Å; K617-L620 WeakPolarHBondContact O-CB 3.26Å; K617-L620 PolarHBondContact O-N 2.85Å; K617-L620 VanDerWaalsContact O-N 3.1Å; L620-L623 PolarHBondContact O-N 3Å; L620-Q624 PolarHBondContact O-N 3.24Å
621R68.3Low63.3Low109 Ų10997.1 Ų97.141%0.41147%0.471SS..Hα-helixtrans-61.8-42.3173.2-91.6175.4147.3-177.3-9112.2D25 K617 E618 L623 Q624D25-R621 IonicContact OD1-NH2 2.8Å; D25-R621 PolarHBondContact OD1-NH2 3.37Å; D25-R621 IonicContact OD2-NH2 3.3Å; K617-R621 PolarHBondContact O-N 3.21Å; E618-R621 PolarHBondContact O-N 3.32Å; E618-R621 WeakPolarHBondContact OE1-CD 3.47Å; E618-R621 IonicContact OE1-CZ 3.96Å; E618-R621 IonicContact OE1-NH1 3.49Å; E618-R621 PolarHBondContact OE1-NH1 2.87Å; R621-L623 VanDerWaalsContact C-N 3.25Å; R621-L623 PolarHBondContact O-N 3.36Å; R621-Q624 PolarHBondContact O-N 3.31Å
622E65Low60.8Low123 Ų123103.7 Ų103.758%0.57550%0.497SS*.Hα-helixtrans-63.6-29.4175.2-77.3-177.8160.500113.5R20 E618R20-E622 IonicContact CZ-OE2 2.67Å; R20-E622 VanDerWaalsContact CZ-OE2 3.3Å; R20-E622 IonicContact NE-OE1 3.82Å; R20-E622 IonicContact NE-OE2 3.95Å; R20-E622 PolarHBondContact NE-OE2 3.49Å; R20-E622 IonicContact NH2-OE2 3.86Å; R20-E622 PolarHBondContact NH2-OE2 3.37Å; E618-E622 PolarHBondContact O-N 2.97Å
623L58.8Low58.3Low134 Ų134109.3 Ų109.370%0.70253%0.531SS*.Hα-helixtrans-77.7-21.7178.4-74163.9000112.6G619 L620 R621 P625G619-L623 WeakPolarHBondContact O-CD1 3.47Å; G619-L623 WeakPolarHBondContact O-CG 3.05Å; G619-L623 PolarHBondContact O-N 3.23Å; L620-L623 PolarHBondContact O-N 3Å; R621-L623 VanDerWaalsContact C-N 3.25Å; R621-L623 PolarHBondContact O-N 3.36Å; L623-P625 WeakPolarHBondContact O-CD 3.33Å
624Q50.8Low55.8Low135 Ų135115 Ų11563%0.63157%0.566SS**SBendtrans-76.6117.5171.6-76.4-175.3-25.700109.3L620 R621 K626L620-Q624 PolarHBondContact O-N 3.24Å; R621-Q624 PolarHBondContact O-N 3.31Å; Q624-K626 PolarHBondContact O-N 2.92Å
625P43.8Very low53.6Low85 Ų85112.7 Ų112.755%0.55257%0.566SS**  trans-61.9128.3176.523-29.9000110L623 D627 M628L623-P625 WeakPolarHBondContact O-CD 3.33Å; P625-D627 PolarHBondContact O-N 3.18Å; P625-M628 PolarHBondContact O-N 3.12Å
626K47.9Very low51.4Low209 Ų209114.5 Ų114.591%0.90959%0.586SS**THydrogen-bonded Turntrans-57-8.8173.4-85.7-179.5173.4176.20114.1Q624 M628Q624-K626 PolarHBondContact O-N 2.92Å; K626-M628 VanDerWaalsContact C-N 3.27Å; K626-M628 PolarHBondContact O-N 3.08Å
627D38.2Very low49.4Very low150 Ų150118.7 Ų118.780%0.80262%0.615SS**THydrogen-bonded Turntrans-791.8-178.1-65.4-34000114.7P625 A629P625-D627 PolarHBondContact O-N 3.18Å; D627-A629 PolarHBondContact O-N 3.08Å; D627-A629 VanDerWaalsContact O-N 3.15Å
628M43.5Very low47.5Very low164 Ų164118.2 Ų118.281%0.80864%0.639SS**  trans-82.836.9166.6-68.8-139.8-90.200112.7P625 K626 A630P625-M628 PolarHBondContact O-N 3.12Å; K626-M628 VanDerWaalsContact C-N 3.27Å; K626-M628 PolarHBondContact O-N 3.08Å; M628-A630 PolarHBondContact O-N 2.91Å
629A35.8Very low45.2Very low79 Ų79121.8 Ų121.865%0.65367%0.666SS**SBendtrans-71.3111.4155.400000106.7D627 R631D627-A629 PolarHBondContact O-N 3.08Å; D627-A629 VanDerWaalsContact O-N 3.15Å; A629-R631 PolarHBondContact O-N 3.07Å
630A38Very low43Very low63 Ų63129.7 Ų129.752%0.52171%0.706SS.*  trans-48111.1176.700000110M628 Y632M628-A630 PolarHBondContact O-N 2.91Å; A630-Y632 HydrophobicContact CB-CE1 4.15Å; A630-Y632 HydrophobicContact CB-CE2 4.1Å; A630-Y632 WeakPolarHBondContact O-CD2 3.22Å; A630-Y632 PolarHBondContact O-N 3.28Å; A630-Y632 VanDerWaalsContact O-N 3.11Å
631R28.1Very low41.3Very low241 Ų241130.6 Ų130.691%0.90972%0.715SS**  trans-7498.1166.5-106.3-175.7179179.40.6106.6A629 V633A629-R631 PolarHBondContact O-N 3.07Å; R631-V633 PolarHBondContact O-N 3.34Å; R631-V633 VanDerWaalsContact O-N 3.15Å
632Y36Very low39.5Very low186 Ų186134.2 Ų134.273%0.72974%0.737SS**  trans-69.3108.1167.2-53.6-79.3000107.9A630 V634A630-Y632 HydrophobicContact CB-CE1 4.15Å; A630-Y632 HydrophobicContact CB-CE2 4.1Å; A630-Y632 WeakPolarHBondContact O-CD2 3.22Å; A630-Y632 PolarHBondContact O-N 3.28Å; A630-Y632 VanDerWaalsContact O-N 3.11Å; Y632-V634 PolarHBondContact O-N 3.23Å
633V32Very low37.8Very low118 Ų118134 Ų13472%0.71574%0.744SS**  trans-86.9105.4165.4-178.80000106.2R631 L635R631-V633 PolarHBondContact O-N 3.34Å; R631-V633 VanDerWaalsContact O-N 3.15Å; V633-L635 PolarHBondContact O-N 3.12Å; V633-L635 VanDerWaalsContact O-N 3.09Å
634V30.6Very low36.3Very low133 Ų133134.1 Ų134.181%0.80675%0.75SS**  trans-72102.2169.7-178.10000106.9Y632Y632-V634 PolarHBondContact O-N 3.23Å
635L35.9Very low35.2Very low125 Ų125136.1 Ų136.165%0.65476%0.759SS**  trans-70.2143166.4-79.1151.5000108.7V633 S637V633-L635 PolarHBondContact O-N 3.12Å; V633-L635 VanDerWaalsContact O-N 3.09Å; L635-S637 PolarHBondContact O-N 3.48Å
636P38.8Very low34.3Very low127 Ų127137.3 Ų137.383%0.82577%0.77SS**SBendtrans-73.942.2-176.730.7-34.2000112.9
637S42.3Very low33.4Very low91 Ų91134.1 Ų134.164%0.63677%0.767SS**SBendtrans-156.555.5-177.7-43.90000111.6L635 S639L635-S637 PolarHBondContact O-N 3.48Å; S637-S639 VanDerWaalsContact C-N 3.28Å; S637-S639 PolarHBondContact O-N 3.42Å; S637-S639 PolarHBondContact O-OG 2.94Å
638G40.3Very low32.9Very low90 Ų90134.9 Ų134.993%0.92877%0.766SS**SBendtrans47.419.1147.200000121.7
639S29.6Very low32.2Very low93 Ų93132.9 Ų132.965%0.6577%0.765SS**  trans-138125.317662.80000111.6S637S637-S639 VanDerWaalsContact C-N 3.28Å; S637-S639 PolarHBondContact O-N 3.42Å; S637-S639 PolarHBondContact O-OG 2.94Å
640L29.9Very low31.8Very low172 Ų172137 Ų13790%0.90178%0.776SS**  trans-82111.8172.9-88.3150.6000108.3
641V34.8Very low31.2Very low115 Ų115137.5 Ų137.570%0.69779%0.788SS**  trans-118.8123.7164.7-179.80000107.9T643V641-T643 HydrophobicContact CG1-CG2 4.26Å; V641-T643 PolarHBondContact O-N 2.98Å
642E30.5Very low31.2Very low186 Ų186135.6 Ų135.687%0.86979%0.789SS**  trans-82.1103.6178-167175.8-159.800108.9
643T29.1Very low30.7Very low119 Ų119129.9 Ų129.973%0.7379%0.786SS**  trans-108.9109.8171.448.90000110.2V641 Q645V641-T643 HydrophobicContact CG1-CG2 4.26Å; V641-T643 PolarHBondContact O-N 2.98Å; T643-Q645 PolarHBondContact O-N 3.11Å
644V27.2Very low30.4Very low136 Ų136132.5 Ų132.582%0.82480%0.797SS**  trans-76.9115.6171.6179.60000108.3
645Q26.2Very low30.3Very low176 Ų176130.5 Ų130.582%0.82279%0.794SS**  trans-121.9117.7170.6-151.1161.91200109.9T643 V647T643-Q645 PolarHBondContact O-N 3.11Å; Q645-V647 PolarHBondContact O-N 3.04Å
646S25.2Very low29.8Very low111 Ų111130.3 Ų130.378%0.77680%0.803SS**  trans-71.6117.4176.253.20000110.1Q648S646-Q648 PolarHBondContact O-N 2.87Å
647V29.8Very low29.2Very low141 Ų141128.7 Ų128.786%0.85580%0.8SS**  trans-75.4109.2172.8179.40000108.7Q645Q645-V647 PolarHBondContact O-N 3.04Å
648Q26.6Very low28.4Very low167 Ų167131.6 Ų131.678%0.7881%0.808SS**PPolyproline II helixtrans-71.8144.8161.2-93.4-177.1-23.100109.7S646S646-Q648 PolarHBondContact O-N 2.87Å
649P29.9Very low27.7Very low122 Ų122134.3 Ų134.379%0.79280%0.796SS**PPolyproline II helixtrans-73.7130.7-178.129.6-31.5000110.9G651P649-G651 PolarHBondContact O-N 2.92Å
650N27.1Very low27.5Very low165 Ų165135.6 Ų135.688%0.88280%0.8SS**PPolyproline II helixtrans-57.5116.7177.2-75.5-20.8000111.8
651G26.3Very low27.2Very low74 Ų74133.6 Ų133.676%0.76380%0.795SS**PPolyproline II helixtrans-88.7137.9161.900000110.9P649P649-G651 PolarHBondContact O-N 2.92Å
652H27.3Very low27.2Very low200 Ų200133.9 Ų133.993%0.92680%0.799SS**PPolyproline II helixtrans-78.2136.2171-95.523.4000111.7
653G25.9Very low26.9Very low66 Ų66130.2 Ų130.268%0.6880%0.795SS**  trans74.7106.5141.500000119.4
654D25Very low27.5Very low174 Ų174129.9 Ų129.993%0.9379%0.794SS**  175.1148.398.5-95.1-20.9000112.6
655A27.9Very low27.4Very low91 Ų91127.1 Ų127.175%0.75279%0.785SS**  trans-82.1140.8-176.300000113
656S25.4Very low27.4Very low121 Ų121127.5 Ų127.585%0.84679%0.787SS**  167.7140.9127.4-79.60000114
657A26.6Very low27.5Very low92 Ų92127.2 Ų127.276%0.7679%0.786SS**  trans82.3103.8146.900000121.6
658L25.4Very low27.4Very low152 Ų152124.9 Ų124.980%0.79678%0.781SS**  71.6130.3118.8-116.569.7000122.3
659H26.2Very low27.6Very low147 Ų147125.7 Ų125.768%0.68179%0.785SS**  trans106.2102.2143.1-85.6-62.4000122
660T25.6Very low27.7Very low120 Ų120128 Ų12874%0.73679%0.785SS**  64125126.946.20000122.2
661T23.4Very low27.9Very low130 Ų130127.9 Ų127.980%0.79878%0.779SS**  trans-57.4176.215945.20000113.5
662P35.6Very low28.1Very low121 Ų121132.7 Ų132.779%0.78678%0.782SS**  cis-134.7177.66.429.3-4.7000116.9
663S22.7Very low28.4Very low110 Ų110128.2 Ų128.277%0.76978%0.779SS**  trans-56.5-178164.5-145.50000113.7
664P41.8Very low29Very low112 Ų112134.8 Ų134.873%0.72779%0.789SS**  cis-141.2-170.20.337.6-15000115.4
665A26.3Very low29.6Very low77 Ų77142 Ų14264%0.63680%0.803SS**  trans121.4131.1138.200000119.7
666Q25.8Very low29.7Very low184 Ų184144.6 Ų144.686%0.8681%0.806SS**  trans71143.8145.6-69.5168.2-13.100118.5
667S27.9Very low30Very low106 Ų106145.8 Ų145.874%0.74180%0.804SS**  cis-168.9137.210.432.10000105.7
668A28Very low30.1Very low92 Ų92148.8 Ų148.876%0.7681%0.806SS**  52.7146.195.800000116
669E29.8Very low30.4Very low183 Ų183148.6 Ų148.686%0.85581%0.807SS**  trans86.9134.1175-76174.8169.900116.5
670E31.4Very low30.7Very low172 Ų172148.7 Ų148.780%0.80482%0.815SS**  cis-165.9162.64.5-156.9170175.600109.7
671Q31.2Very low31Very low162 Ų162150.6 Ų150.676%0.75782%0.82SS**  trans-70.9159.2179-79.6171.8-44.800115.1
672Q31.9Very low31.6Very low175 Ų175152.1 Ų152.182%0.81882%0.821SS**  trans65119.7143.7-78.5173.2-13.800119.8
673A32.6Very low31.3Very low105 Ų105154.5 Ų154.587%0.86882%0.824SS**  -174135.5112.700000113.5
674K38.8Very low32Very low205 Ų205158.2 Ų158.289%0.89183%0.829SS**  trans-24136.4162.1-68.7166.7171.7176.30117.3
675R38.4Very low31.1Very low325 Ų325162.4 Ų162.4100%1.22684%0.838SS**  -157.80113.3-110.8-178-172.2-168.63111.6

Retrieved 675 of 675 residues in 3935.9 ms (Link to these results)

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