A0A3Q0KI25_SCHMA Loading...

Putative annexin

AlphaFold DB , UniProt , Accession A0A3Q0KI25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 332 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
1M43.9Very low79.3Confident242 Ų24293.5 Ų93.5100%1.19252%0.518SS*.  0115.10-81.9173.4-179.900107.3S3M1-S3 PolarHBondContact O-N 2.87Å
2I50Low80.6Confident143 Ų14391.8 Ų91.873%0.73350%0.502SS*.  trans-68.2115.8164.9-62.4172.2000104.3H4I2-H4 PolarHBondContact O-CD2 3.47Å; I2-H4 PolarHBondContact O-N 2.84Å
3S54.6Low81.8Confident110 Ų11089.1 Ų89.177%0.76949%0.491SS*.  trans-62.1103172.2179.90000106.8M1 Q5M1-S3 PolarHBondContact O-N 2.87Å; S3-Q5 PolarHBondContact O-N 3.4Å
4H70.3Confident82.6Confident113 Ų11393.9 Ų93.952%0.52352%0.516SS..  trans-67.4117.2174-69.3-74.3000107I2 T6 S300I2-H4 PolarHBondContact O-CD2 3.47Å; I2-H4 PolarHBondContact O-N 2.84Å; H4-T6 PolarHBondContact O-N 3.16Å; H4-S300 PolarHBondContact ND1-OG 3.35Å
5Q79Confident83.3Confident135 Ų135103.1 Ų103.163%0.63154%0.54SS*.  trans-55.2132.3172.7-72.5179.4-1400108.5S3 N296S3-Q5 PolarHBondContact O-N 3.4Å; Q5-N296 HydrophobicContact CB-CB 4.06Å; Q5-N296 CarbonylContact O-C 3.48Å; Q5-N296 VanDerWaalsContact O-CB 3.24Å; Q5-N296 WeakPolarHBondContact O-CB 3.38Å
6T90.7Very high84.1Confident109 Ų10998.9 Ų98.967%0.66952%0.518SS*.  trans-111166.5173.557.60000109.2H4H4-T6 PolarHBondContact O-N 3.16Å
7G95.2Very high84.9Confident19 Ų1996.4 Ų96.420%0.19651%0.511CS..SBendtrans86-159.3176.800000114.8V293 D294 M295 N296G7-V293 CarbonylContact C-O 3.56Å; G7-V293 VanDerWaalsContact C-O 3.22Å; G7-V293 VanDerWaalsContact CA-O 3.28Å; G7-V293 WeakPolarHBondContact CA-O 3.4Å; G7-D294 CarbonylContact O-C 3.48Å; G7-D294 VanDerWaalsContact O-C 3.28Å; G7-D294 VanDerWaalsContact O-CA 3.27Å; G7-D294 WeakPolarHBondContact O-CA 3.47Å; G7-M295 PolarHBondContact O-N 2.9Å; G7-N296 WeakPolarHBondContact O-CB 3.41Å; G7-N296 PolarHBondContact O-N 2.6Å
8P97.8Very high85.7Confident62 Ų6291.7 Ų91.740%0.40349%0.487SS..  trans-68142.9-171.227.4-35000112.3C291 N296P8-C291 CarbonylContact C-O 3.3Å; P8-C291 VanDerWaalsContact CA-O 3.28Å; P8-C291 WeakPolarHBondContact CA-O 3.46Å; P8-C291 WeakPolarHBondContact CB-O 3.47Å; P8-N296 PolarHBondContact O-ND2 3.37Å
9S98.2Very high86.3Confident4 Ų491.9 Ų91.93%0.02849%0.485CS..  trans-89.7-34.3173.757.90000112.8C291 M295 L329 G331S9-C291 PolarHBondContact N-O 3Å; S9-M295 VanDerWaalsContact OG-CB 3.24Å; S9-M295 WeakPolarHBondContact OG-CB 3.38Å; S9-M295 VanDerWaalsContact OG-CG 3.22Å; S9-M295 WeakPolarHBondContact OG-CG 3.37Å; S9-L329 PolarHBondContact OG-O 2.82Å; S9-G331 WeakPolarHBondContact O-CA 3.38Å
10I97Very high87Confident5 Ų591.4 Ų91.43%0.02648%0.483CS..  trans-68.8134.7178.3-167.1-177.6000109.3F12 G44 R46 C291 E292 L329I10-F12 HydrophobicContact CG2-CD1 4.13Å; I10-F12 HydrophobicContact CG2-CE1 4.18Å; I10-G44 WeakPolarHBondContact CD1-O 3.22Å; I10-G44 WeakPolarHBondContact CG1-O 3.45Å; I10-R46 WeakPolarHBondContact CD1-O 3.24Å; I10-C291 HydrophobicContact CB-CB 4.34Å; I10-C291 HydrophobicContact CG2-CB 4.45Å; I10-C291 WeakPolarHBondContact CG2-O 3.46Å; I10-C291 PolarHBondContact N-O 3.41Å; I10-E292 HydrophobicContact CG2-CB 4.4Å; I10-E292 HydrophobicContact CG2-CG 3.55Å; I10-L329 HydrophobicContact CD1-CD2 3.63Å; I10-L329 HydrophobicContact CG1-CD2 4.29Å; I10-L329 PolarHBondContact N-O 2.62Å
11T95.1Very high87.5Confident87 Ų8787.3 Ų87.353%0.53446%0.461SS..  trans-107.3138.7173.764.20000109.5H45T11-H45 VanDerWaalsContact O-CA 3.23Å; T11-H45 WeakPolarHBondContact O-CA 3.45Å; T11-H45 WeakPolarHBondContact O-CB 3.18Å; T11-H45 PolarHBondContact O-CD2 2.9Å
12F95.6Very high90.1Very high72 Ų7275.8 Ų75.832%0.31640%0.404SS..  trans-147149.7-18050.1-94.8000109.5I10 H45 N47I10-F12 HydrophobicContact CG2-CD1 4.13Å; I10-F12 HydrophobicContact CG2-CE1 4.18Å; F12-H45 WeakPolarHBondContact CA-O 3.27Å; F12-H45 VanDerWaalsContact CB-O 3.24Å; F12-H45 WeakPolarHBondContact CB-O 3.39Å; F12-N47 HydrophobicContact CD1-CB 3.79Å; F12-N47 HydrophobicContact CD2-CB 4.25Å; F12-N47 WeakPolarHBondContact CD2-ND2 3.46Å; F12-N47 HydrophobicContact CE1-CB 3.7Å; F12-N47 HydrophobicContact CE2-CB 4.18Å; F12-N47 WeakPolarHBondContact CE2-ND2 3.39Å; F12-N47 HydrophobicContact CG-CB 4.07Å; F12-N47 HydrophobicContact CZ-CB 3.9Å; F12-N47 WeakPolarHBondContact CZ-ND2 3.23Å
13P95.6Very high92.4Very high57 Ų5772.5 Ų72.537%0.3739%0.386SS..  trans-71146177.830.9-35.9000110.7R15 I16 H45 Q50P13-R15 PolarHBondContact O-N 2.82Å; P13-I16 HydrophobicContact CG-CG2 3.56Å; P13-H45 WeakPolarHBondContact CD-O 3.46Å; P13-Q50 PolarHBondContact O-NE2 3.04Å
14D93.6Very high94.5Very high157 Ų15770.4 Ų70.484%0.8436%0.364SS*.SBendtrans-60.4-35.1178.2-67.3-31.4000112.7
15R93.6Very high95.9Very high231 Ų23165 Ų6587%0.87234%0.339SS*.SBendtrans-126.3134.7178.4-61.9-175.2-177.6-1440.5109.6P13P13-R15 PolarHBondContact O-N 2.82Å
16I96Very high96.8Very high37 Ų3760.6 Ų60.619%0.1932%0.319CS..  trans-119.1159.8176.561.5157.2000109.9P13 A18 R46 Q50 I54P13-I16 HydrophobicContact CG-CG2 3.56Å; I16-A18 HydrophobicContact CD1-CB 4.27Å; I16-R46 VanDerWaalsContact CG2-NE 3.31Å; I16-Q50 HydrophobicContact CD1-CB 3.84Å; I16-Q50 HydrophobicContact CD1-CG 3.98Å; I16-Q50 HydrophobicContact CG1-CG 4.2Å; I16-Q50 HydrophobicContact CG2-CG 4.32Å; I16-I54 HydrophobicContact CD1-CD1 3.99Å; I16-I54 HydrophobicContact CD1-CG1 3.8Å
17S97.7Very high97.1Very high56 Ų5659.3 Ų59.339%0.39231%0.308SS..  trans-98.9101.2158173.30000107.9E19 N20 D21S17-E19 PolarHBondContact O-N 3.12Å; S17-N20 PolarHBondContact O-N 3.15Å; S17-N20 WeakPolarHBondContact OG-CB 3.47Å; S17-N20 PolarHBondContact OG-N 3.33Å; S17-D21 PolarHBondContact O-N 3.36Å
18A98.3Very high97.2Very high11 Ų1158.6 Ų58.69%0.09130%0.3CS..Hα-helixtrans-61.3-29.8177.200000111.5I16 A22 Q53 I54 T57I16-A18 HydrophobicContact CD1-CB 4.27Å; A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.31Å; A18-Q53 HydrophobicContact CB-CB 4.41Å; A18-I54 HydrophobicContact CB-CG1 4.33Å; A18-T57 HydrophobicContact CB-CG2 4.42Å
19E98.4Very high97.2Very high96 Ų9656.5 Ų56.545%0.44929%0.287SS..Hα-helixtrans-64.1-49.8174.1-66.169.1-152.300111.6S17 A22 E23 T57S17-E19 PolarHBondContact O-N 3.12Å; E19-A22 PolarHBondContact O-N 3.43Å; E19-E23 WeakPolarHBondContact O-CB 3.48Å; E19-E23 PolarHBondContact O-N 2.96Å; E19-T57 HydrophobicContact CB-CG2 4.39Å; E19-T57 HydrophobicContact CG-CG2 3.95Å
20N98.6Very high96.8Very high82 Ų8263.3 Ų63.344%0.43932%0.316SS..Hα-helixtrans-67.1-40.5179.7-174.335.9000111.8S17 E23 Q24S17-N20 PolarHBondContact O-N 3.15Å; S17-N20 WeakPolarHBondContact OG-CB 3.47Å; S17-N20 PolarHBondContact OG-N 3.33Å; N20-E23 PolarHBondContact O-N 2.98Å; N20-Q24 PolarHBondContact ND2-NE2 3.32Å; N20-Q24 VanDerWaalsContact ND2-NE2 3.15Å; N20-Q24 WeakPolarHBondContact O-CB 3.44Å; N20-Q24 WeakPolarHBondContact O-CG 3.4Å; N20-Q24 PolarHBondContact O-N 2.84Å; N20-Q24 PolarHBondContact O-NE2 3.22Å; N20-Q24 PolarHBondContact OD1-NE2 2.98Å
21D98.8Very high96.2Very high5 Ų566.4 Ų66.43%0.02735%0.348CS..Hα-helixtrans-64.2-44.1175.4-72.1-19.1000111.1S17 E23 Q24 L25 I42 R46 I54S17-D21 PolarHBondContact O-N 3.36Å; D21-E23 VanDerWaalsContact C-N 3.32Å; D21-E23 PolarHBondContact O-N 3.42Å; D21-Q24 PolarHBondContact O-N 3.37Å; D21-L25 WeakPolarHBondContact O-CB 3.32Å; D21-L25 VanDerWaalsContact O-CG 3.27Å; D21-L25 WeakPolarHBondContact O-CG 3.44Å; D21-L25 PolarHBondContact O-N 3.37Å; D21-I42 HydrophobicContact CB-CG2 4.19Å; D21-R46 VanDerWaalsContact CG-NH2 3.25Å; D21-R46 IonicContact OD1-CZ 3.51Å; D21-R46 IonicContact OD1-NE 2.86Å; D21-R46 IonicContact OD1-NH2 3.82Å; D21-R46 PolarHBondContact OD1-NH2 3.41Å; D21-R46 IonicContact OD2-CZ 2.81Å; D21-R46 VanDerWaalsContact OD2-CZ 3.25Å; D21-R46 IonicContact OD2-NE 3.89Å; D21-R46 PolarHBondContact OD2-NE 2.69Å; D21-R46 IonicContact OD2-NH2 2.8Å; D21-R46 PolarHBondContact OD2-NH2 3.3Å; D21-I54 HydrophobicContact CB-CD1 3.8Å; D21-I54 HydrophobicContact CB-CG1 3.83Å; D21-I54 HydrophobicContact CB-CG2 4.03Å; D21-I54 WeakPolarHBondContact OD2-CD1 3.46Å
22A98.8Very high95.6Very high0 Ų071.4 Ų71.40%037%0.371CS..Hα-helixtrans-63.2-37.1176.900000112.4A18 E19 H26 I54 T57 F58A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.31Å; E19-A22 PolarHBondContact O-N 3.43Å; A22-H26 WeakPolarHBondContact O-CB 3.46Å; A22-H26 PolarHBondContact O-N 3.11Å; A22-I54 HydrophobicContact CB-CG2 4.3Å; A22-T57 HydrophobicContact CB-CG2 4.22Å; A22-F58 HydrophobicContact CB-CB 3.93Å; A22-F58 HydrophobicContact CB-CD2 4.03Å; A22-F58 HydrophobicContact CB-CG 4.48Å; A22-F58 WeakPolarHBondContact O-CD2 3.42Å
23E98.6Very high95.3Very high75 Ų7572.4 Ų72.435%0.3539%0.387SS..Hα-helixtrans-68.1-45.5174.9-179.6163.5-17500112.8E19 N20 D21 L25 H26 N27 R61 Y62E19-E23 WeakPolarHBondContact O-CB 3.48Å; E19-E23 PolarHBondContact O-N 2.96Å; N20-E23 PolarHBondContact O-N 2.98Å; D21-E23 VanDerWaalsContact C-N 3.32Å; D21-E23 PolarHBondContact O-N 3.42Å; E23-L25 PolarHBondContact O-N 3.17Å; E23-H26 WeakPolarHBondContact O-CB 3.48Å; E23-H26 PolarHBondContact O-N 2.87Å; E23-N27 PolarHBondContact O-N 2.9Å; E23-N27 PolarHBondContact O-ND2 3.46Å; E23-R61 IonicContact OE1-NH2 3.09Å; E23-R61 IonicContact OE2-CZ 2.86Å; E23-R61 IonicContact OE2-NH2 3.81Å; E23-R61 PolarHBondContact OE2-NH2 3.02Å; E23-R61 VanDerWaalsContact OE2-NH2 3.09Å; E23-Y62 WeakPolarHBondContact CA-OH 3.25Å
24Q98.7Very high95.3Very high65 Ų6571.2 Ų71.230%0.30438%0.378SS..Hα-helixtrans-61.4-44.5175.2-76.1174.391.200111.7N20 D21 H26 N27 A28 T38 I42N20-Q24 PolarHBondContact ND2-NE2 3.32Å; N20-Q24 VanDerWaalsContact ND2-NE2 3.15Å; N20-Q24 WeakPolarHBondContact O-CB 3.44Å; N20-Q24 WeakPolarHBondContact O-CG 3.4Å; N20-Q24 PolarHBondContact O-N 2.84Å; N20-Q24 PolarHBondContact O-NE2 3.22Å; N20-Q24 PolarHBondContact OD1-NE2 2.98Å; D21-Q24 PolarHBondContact O-N 3.37Å; Q24-H26 VanDerWaalsContact C-N 3.33Å; Q24-H26 PolarHBondContact O-N 3.46Å; Q24-N27 PolarHBondContact O-N 3.41Å; Q24-A28 VanDerWaalsContact O-CB 3.26Å; Q24-A28 WeakPolarHBondContact O-CB 3.35Å; Q24-A28 PolarHBondContact O-N 2.88Å; Q24-T38 HydrophobicContact CB-CG2 4.01Å; Q24-I42 HydrophobicContact CB-CD1 3.64Å
25L98.6Very high95.5Very high0 Ų066.9 Ų66.90%036%0.355CS..Hα-helixtrans-65-35.5176-68.4174000112.4D21 E23 C29 I39 I42 L43 I54 L66 L70D21-L25 WeakPolarHBondContact O-CB 3.32Å; D21-L25 VanDerWaalsContact O-CG 3.27Å; D21-L25 WeakPolarHBondContact O-CG 3.44Å; D21-L25 PolarHBondContact O-N 3.37Å; E23-L25 PolarHBondContact O-N 3.17Å; L25-C29 PolarHBondContact O-N 3.01Å; L25-C29 PolarHBondContact O-SG 3.06Å; L25-I39 HydrophobicContact CD2-CB 4.36Å; L25-I39 HydrophobicContact CD2-CG1 4.08Å; L25-I39 HydrophobicContact CD2-CG2 4.5Å; L25-I42 HydrophobicContact CD1-CG2 4.17Å; L25-I42 HydrophobicContact CD2-CB 4.22Å; L25-I42 HydrophobicContact CD2-CD1 3.96Å; L25-I42 HydrophobicContact CD2-CG2 4.37Å; L25-I42 HydrophobicContact CG-CD1 3.9Å; L25-I42 HydrophobicContact CG-CG2 4.36Å; L25-L43 HydrophobicContact CD1-CD2 4.38Å; L25-I54 HydrophobicContact CD1-CG2 3.78Å; L25-L66 HydrophobicContact CB-CD1 4.09Å; L25-L66 HydrophobicContact CD1-CD1 4Å; L25-L66 HydrophobicContact CD1-CD2 3.95Å; L25-L70 HydrophobicContact CD2-CD2 4.22Å
26H97.7Very high95.6Very high43 Ų4358.5 Ų58.520%0.19933%0.326CS..Hα-helixtrans-63.3-47.3173.8-178.371.9000111.5A22 E23 Q24 A28 C29 K30 F58 Y62A22-H26 WeakPolarHBondContact O-CB 3.46Å; A22-H26 PolarHBondContact O-N 3.11Å; E23-H26 WeakPolarHBondContact O-CB 3.48Å; E23-H26 PolarHBondContact O-N 2.87Å; Q24-H26 VanDerWaalsContact C-N 3.33Å; Q24-H26 PolarHBondContact O-N 3.46Å; H26-A28 VanDerWaalsContact C-N 3.35Å; H26-C29 PolarHBondContact O-N 3.11Å; H26-K30 PolarHBondContact O-N 3.16Å; H26-F58 HydrophobicContact CB-CE2 3.72Å; H26-F58 HydrophobicContact CB-CZ 4.36Å; H26-Y62 HydrophobicContact CB-CD2 4.2Å; H26-Y62 HydrophobicContact CB-CE1 4.24Å; H26-Y62 HydrophobicContact CB-CE2 3.57Å; H26-Y62 AromaticContact CD2-CE1 3.63Å; H26-Y62 AromaticContact CD2-CZ 3.81Å; H26-Y62 AromaticContact CE1-CD1 3.86Å; H26-Y62 AromaticContact CG-CE1 3.66Å; H26-Y62 AromaticContact CG-CE2 3.83Å; H26-Y62 AromaticContact CG-CZ 3.54Å; H26-Y62 AromaticContact ND1-CD1 3.82Å; H26-Y62 AromaticContact ND1-CE1 3.92Å; H26-Y62 AromaticContact ND1-CG 3.92Å; H26-Y62 AromaticContact NE2-CE1 3.88Å
27N97.5Very high95.7Very high82 Ų8263.7 Ų63.744%0.43935%0.349SS..Hα-helixtrans-66.7-37.6179.1-69.3-24.8000111.6E23 Q24 C29 K30E23-N27 PolarHBondContact O-N 2.9Å; E23-N27 PolarHBondContact O-ND2 3.46Å; Q24-N27 PolarHBondContact O-N 3.41Å; N27-C29 PolarHBondContact O-N 3.49Å; N27-K30 WeakPolarHBondContact O-CB 3.02Å; N27-K30 PolarHBondContact O-N 3.32Å
28A98.1Very high95.8Very high4 Ų462.5 Ų62.53%0.03334%0.34CS..Hα-helixtrans-63.7-24.4176.800000113.5Q24 H26 T34 D35 T38 I39Q24-A28 VanDerWaalsContact O-CB 3.26Å; Q24-A28 WeakPolarHBondContact O-CB 3.35Å; Q24-A28 PolarHBondContact O-N 2.88Å; H26-A28 VanDerWaalsContact C-N 3.35Å; A28-T34 CarbonylContact O-C 3.28Å; A28-T34 WeakPolarHBondContact O-CA 3.39Å; A28-D35 HydrophobicContact CB-CB 3.89Å; A28-D35 PolarHBondContact O-N 3.44Å; A28-T38 HydrophobicContact CB-CG2 3.99Å; A28-I39 HydrophobicContact CB-CD1 4.48Å; A28-I39 HydrophobicContact CB-CG1 3.97Å
29C96.6Very high95.8Very high18 Ų1862 Ų6212%0.12234%0.336CS..THydrogen-bonded Turntrans-99.56175.4-56.20000113L25 H26 N27 V69L25-C29 PolarHBondContact O-N 3.01Å; L25-C29 PolarHBondContact O-SG 3.06Å; H26-C29 PolarHBondContact O-N 3.11Å; N27-C29 PolarHBondContact O-N 3.49Å; C29-V69 HydrophobicContact CB-CG1 3.72Å
30K90.6Very high95.8Very high147 Ų14758 Ų5864%0.63932%0.318SS*.SBendtrans-96.8130-176.1-173.3-178.4177.7-176.50110.6H26 N27H26-K30 PolarHBondContact O-N 3.16Å; N27-K30 WeakPolarHBondContact O-CB 3.02Å; N27-K30 PolarHBondContact O-N 3.32Å
31G84.3Confident95.8Very high69 Ų6960.7 Ų60.771%0.71133%0.326SS*.SBendtrans105.9-162.4174.900000112.3
32L83Confident95.8Very high192 Ų19260.8 Ų60.8100%1.00533%0.326SS*.SBendtrans-83.2-22.7-176.2-67.9172000113.2
33S88.7Confident95.7Very high94 Ų9460.8 Ų60.866%0.65733%0.326SS*.SBendtrans-116.7140.9178.156.10000110.2
34T95.2Very high95.7Very high31 Ų3157.2 Ų57.219%0.1931%0.309CS..  trans-83.3145.3170.5-52.30000108.9A28 E36 I39 S73 T74A28-T34 CarbonylContact O-C 3.28Å; A28-T34 WeakPolarHBondContact O-CA 3.39Å; T34-E36 WeakPolarHBondContact CB-OE1 3.16Å; T34-E36 HydrophobicContact CG2-CG 4.11Å; T34-I39 HydrophobicContact CG2-CD1 3.59Å; T34-S73 WeakPolarHBondContact OG1-CB 3.16Å; T34-S73 PolarHBondContact OG1-O 3.31Å; T34-T74 HydrophobicContact CG2-CG2 4.37Å
35D97.3Very high95.7Very high66 Ų6656.6 Ų56.635%0.35331%0.306SS..  trans-100.180.4169.4178-1000108.8A28 E37 T38 I39A28-D35 HydrophobicContact CB-CB 3.89Å; A28-D35 PolarHBondContact O-N 3.44Å; D35-E37 PolarHBondContact O-N 3.42Å; D35-E37 WeakPolarHBondContact OD1-CB 3.47Å; D35-E37 PolarHBondContact OD1-N 3Å; D35-T38 VanDerWaalsContact CG-OG1 3.27Å; D35-T38 PolarHBondContact O-N 2.76Å; D35-T38 PolarHBondContact OD1-N 2.88Å; D35-T38 PolarHBondContact OD1-OG1 2.91Å; D35-T38 VanDerWaalsContact OD2-CB 3.26Å; D35-T38 WeakPolarHBondContact OD2-CB 3.49Å; D35-T38 PolarHBondContact OD2-OG1 3.09Å; D35-I39 WeakPolarHBondContact O-CG1 3.36Å; D35-I39 PolarHBondContact O-N 3.19Å
36E97.5Very high95.7Very high56 Ų5658.1 Ų58.126%0.26231%0.312SS..Hα-helixtrans-64-22178.5-65.287.517100112.6T34 T40 Y78 D321T34-E36 WeakPolarHBondContact CB-OE1 3.16Å; T34-E36 HydrophobicContact CG2-CG 4.11Å; E36-T40 WeakPolarHBondContact O-CB 3.12Å; E36-T40 PolarHBondContact O-N 3.18Å; E36-T40 PolarHBondContact O-OG1 2.94Å; E36-Y78 HydrophobicContact CB-CE1 4.04Å; E36-Y78 HydrophobicContact CG-CD1 4.34Å; E36-Y78 HydrophobicContact CG-CE1 3.65Å; E36-Y78 PolarHBondContact O-OH 3.34Å; E36-D321 HydrophobicContact CB-CB 3.93Å; E36-D321 VanDerWaalsContact CB-CG 3.49Å; E36-D321 HydrophobicContact CG-CB 4.27Å
37E97.8Very high95.7Very high145 Ų14557.1 Ų57.168%0.67831%0.308SS*.Hα-helixtrans-67.2-49.4176-174.7177.3166.600110.6D35 I39 T40 K41D35-E37 PolarHBondContact O-N 3.42Å; D35-E37 WeakPolarHBondContact OD1-CB 3.47Å; D35-E37 PolarHBondContact OD1-N 3Å; E37-I39 PolarHBondContact O-N 2.92Å; E37-T40 PolarHBondContact O-N 2.83Å; E37-K41 VanDerWaalsContact O-CB 3.26Å; E37-K41 WeakPolarHBondContact O-CB 3.4Å; E37-K41 PolarHBondContact O-N 2.73Å
38T98.4Very high95.8Very high31 Ų3155 Ų5519%0.1930%0.297CS..Hα-helixtrans-61.7-43.8175-69.30000111.7Q24 A28 D35 T40 K41 I42Q24-T38 HydrophobicContact CB-CG2 4.01Å; A28-T38 HydrophobicContact CB-CG2 3.99Å; D35-T38 VanDerWaalsContact CG-OG1 3.27Å; D35-T38 PolarHBondContact O-N 2.76Å; D35-T38 PolarHBondContact OD1-N 2.88Å; D35-T38 PolarHBondContact OD1-OG1 2.91Å; D35-T38 VanDerWaalsContact OD2-CB 3.26Å; D35-T38 WeakPolarHBondContact OD2-CB 3.49Å; D35-T38 PolarHBondContact OD2-OG1 3.09Å; T38-T40 PolarHBondContact O-N 3.18Å; T38-K41 PolarHBondContact O-N 2.88Å; T38-I42 HydrophobicContact CG2-CD1 3.95Å; T38-I42 WeakPolarHBondContact O-CG1 3.35Å; T38-I42 PolarHBondContact O-N 3.17Å
39I98.6Very high95.8Very high0 Ų061 Ų610%032%0.324CS..Hα-helixtrans-59.3-49.2176.9-64.6169.4000110.4L25 A28 T34 D35 E37 I42 L43 L70 T74 Y78 I82L25-I39 HydrophobicContact CD2-CB 4.36Å; L25-I39 HydrophobicContact CD2-CG1 4.08Å; L25-I39 HydrophobicContact CD2-CG2 4.5Å; A28-I39 HydrophobicContact CB-CD1 4.48Å; A28-I39 HydrophobicContact CB-CG1 3.97Å; T34-I39 HydrophobicContact CG2-CD1 3.59Å; D35-I39 WeakPolarHBondContact O-CG1 3.36Å; D35-I39 PolarHBondContact O-N 3.19Å; E37-I39 PolarHBondContact O-N 2.92Å; I39-I42 PolarHBondContact O-N 3.02Å; I39-L43 HydrophobicContact CG2-CD1 3.7Å; I39-L43 HydrophobicContact CG2-CG 4.22Å; I39-L43 WeakPolarHBondContact O-CB 3.47Å; I39-L43 WeakPolarHBondContact O-CG 3.4Å; I39-L43 PolarHBondContact O-N 3.37Å; I39-L70 HydrophobicContact CD1-CD2 3.79Å; I39-L70 HydrophobicContact CG1-CD2 3.87Å; I39-L70 HydrophobicContact CG2-CD2 3.96Å; I39-T74 HydrophobicContact CD1-CG2 4.48Å; I39-Y78 WeakPolarHBondContact CG2-OH 3.44Å; I39-I82 HydrophobicContact CG2-CD1 3.95Å
40T98.5Very high95.9Very high12 Ų1260.7 Ų60.77%0.07432%0.321CS..Hα-helixtrans-62.9-45.3-179.2-61.60000111.7E36 E37 T38 I42 G44 Y78 K324 L325E36-T40 WeakPolarHBondContact O-CB 3.12Å; E36-T40 PolarHBondContact O-N 3.18Å; E36-T40 PolarHBondContact O-OG1 2.94Å; E37-T40 PolarHBondContact O-N 2.83Å; T38-T40 PolarHBondContact O-N 3.18Å; T40-I42 VanDerWaalsContact C-N 3.31Å; T40-I42 PolarHBondContact O-N 3.48Å; T40-G44 WeakPolarHBondContact O-CA 3.38Å; T40-G44 PolarHBondContact O-N 2.95Å; T40-Y78 PolarHBondContact OG1-OH 3.22Å; T40-K324 HydrophobicContact CG2-CB 4.05Å; T40-L325 HydrophobicContact CG2-CB 3.96Å; T40-L325 HydrophobicContact CG2-CD1 4.2Å
41K97.9Very high96.3Very high140 Ų14054 Ų5461%0.60929%0.292SS*.Hα-helixtrans-59.2-42.4178.8-178.1179.3178.91800111.8E37 T38 H45E37-K41 VanDerWaalsContact O-CB 3.26Å; E37-K41 WeakPolarHBondContact O-CB 3.4Å; E37-K41 PolarHBondContact O-N 2.73Å; T38-K41 PolarHBondContact O-N 2.88Å; K41-H45 WeakPolarHBondContact O-CB 3.14Å; K41-H45 PolarHBondContact O-ND1 2.95Å
42I98.7Very high97Very high6 Ų654.8 Ų54.83%0.03127%0.274CS..Hα-helixtrans-73.9-59.9178.6-65.3171.3000110D21 Q24 L25 T38 I39 T40 G44 H45 R46 I54D21-I42 HydrophobicContact CB-CG2 4.19Å; Q24-I42 HydrophobicContact CB-CD1 3.64Å; L25-I42 HydrophobicContact CD1-CG2 4.17Å; L25-I42 HydrophobicContact CD2-CB 4.22Å; L25-I42 HydrophobicContact CD2-CD1 3.96Å; L25-I42 HydrophobicContact CD2-CG2 4.37Å; L25-I42 HydrophobicContact CG-CD1 3.9Å; L25-I42 HydrophobicContact CG-CG2 4.36Å; T38-I42 HydrophobicContact CG2-CD1 3.95Å; T38-I42 WeakPolarHBondContact O-CG1 3.35Å; T38-I42 PolarHBondContact O-N 3.17Å; I39-I42 PolarHBondContact O-N 3.02Å; T40-I42 VanDerWaalsContact C-N 3.31Å; T40-I42 PolarHBondContact O-N 3.48Å; I42-G44 VanDerWaalsContact C-N 3.32Å; I42-G44 PolarHBondContact O-N 2.87Å; I42-H45 CarbonylContact O-C 3.59Å; I42-H45 PolarHBondContact O-N 3.44Å; I42-R46 HydrophobicContact CG2-CG 4.17Å; I42-R46 WeakPolarHBondContact O-CG 3.19Å; I42-R46 PolarHBondContact O-N 3.28Å; I42-I54 HydrophobicContact CG2-CD1 4.29Å
43L98.7Very high97.7Very high0 Ų049.3 Ų49.30%024%0.243CC..Hα-helixtrans-67.3-32-171.3-61.2-175.4000113.4L25 I39 H45 R51 L70 I82 L85 F86 L325L25-L43 HydrophobicContact CD1-CD2 4.38Å; I39-L43 HydrophobicContact CG2-CD1 3.7Å; I39-L43 HydrophobicContact CG2-CG 4.22Å; I39-L43 WeakPolarHBondContact O-CB 3.47Å; I39-L43 WeakPolarHBondContact O-CG 3.4Å; I39-L43 PolarHBondContact O-N 3.37Å; L43-H45 PolarHBondContact O-N 3.19Å; L43-R51 HydrophobicContact CD2-CG 4.41Å; L43-L70 HydrophobicContact CD1-CD1 4.06Å; L43-I82 HydrophobicContact CD1-CG1 4.03Å; L43-I82 HydrophobicContact CD1-CG2 4.04Å; L43-L85 HydrophobicContact CB-CD1 4.17Å; L43-F86 HydrophobicContact CD1-CE2 4.08Å; L43-F86 HydrophobicContact CD2-CE2 3.87Å; L43-F86 HydrophobicContact CD2-CZ 3.68Å; L43-L325 HydrophobicContact CB-CD1 4.44Å
44G98.3Very high98.2Very high0 Ų044.9 Ų44.90%021%0.212CC..THydrogen-bonded Turntrans-71.5-10174.600000114.2I10 T40 I42I10-G44 WeakPolarHBondContact CD1-O 3.22Å; I10-G44 WeakPolarHBondContact CG1-O 3.45Å; T40-G44 WeakPolarHBondContact O-CA 3.38Å; T40-G44 PolarHBondContact O-N 2.95Å; I42-G44 VanDerWaalsContact C-N 3.32Å; I42-G44 PolarHBondContact O-N 2.87Å
45H98.4Very high98.4Very high53 Ų5347.5 Ų47.525%0.24522%0.218CC..THydrogen-bonded Turntrans-131.231.3-178.1-60.587.8000113T11 F12 P13 K41 I42 L43T11-H45 VanDerWaalsContact O-CA 3.23Å; T11-H45 WeakPolarHBondContact O-CA 3.45Å; T11-H45 WeakPolarHBondContact O-CB 3.18Å; T11-H45 PolarHBondContact O-CD2 2.9Å; F12-H45 WeakPolarHBondContact CA-O 3.27Å; F12-H45 VanDerWaalsContact CB-O 3.24Å; F12-H45 WeakPolarHBondContact CB-O 3.39Å; P13-H45 WeakPolarHBondContact CD-O 3.46Å; K41-H45 WeakPolarHBondContact O-CB 3.14Å; K41-H45 PolarHBondContact O-ND1 2.95Å; I42-H45 CarbonylContact O-C 3.59Å; I42-H45 PolarHBondContact O-N 3.44Å; L43-H45 PolarHBondContact O-N 3.19Å
46R98.5Very high98.4Very high31 Ų3150.3 Ų50.312%0.11723%0.229CC..  trans-131.1136.6172.7-65.9-65.8179.1-80.9-4.6107.8I10 I16 D21 I42 Q50 R51 I54I10-R46 WeakPolarHBondContact CD1-O 3.24Å; I16-R46 VanDerWaalsContact CG2-NE 3.31Å; D21-R46 VanDerWaalsContact CG-NH2 3.25Å; D21-R46 IonicContact OD1-CZ 3.51Å; D21-R46 IonicContact OD1-NE 2.86Å; D21-R46 IonicContact OD1-NH2 3.82Å; D21-R46 PolarHBondContact OD1-NH2 3.41Å; D21-R46 IonicContact OD2-CZ 2.81Å; D21-R46 VanDerWaalsContact OD2-CZ 3.25Å; D21-R46 IonicContact OD2-NE 3.89Å; D21-R46 PolarHBondContact OD2-NE 2.69Å; D21-R46 IonicContact OD2-NH2 2.8Å; D21-R46 PolarHBondContact OD2-NH2 3.3Å; I42-R46 HydrophobicContact CG2-CG 4.17Å; I42-R46 WeakPolarHBondContact O-CG 3.19Å; I42-R46 PolarHBondContact O-N 3.28Å; R46-Q50 HydrophobicContact CB-CB 4.02Å; R46-R51 HydrophobicContact CB-CG 3.73Å; R46-R51 PolarHBondContact O-NH1 3.13Å; R46-I54 HydrophobicContact CB-CD1 4.45Å; R46-I54 HydrophobicContact CG-CD1 3.79Å
47N98.2Very high98.5Very high22 Ų2248.3 Ų48.312%0.11822%0.221CC..  trans-75.2173170.767.431.1000111.6F12 Q49 Q50 R51 E292F12-N47 HydrophobicContact CD1-CB 3.79Å; F12-N47 HydrophobicContact CD2-CB 4.25Å; F12-N47 WeakPolarHBondContact CD2-ND2 3.46Å; F12-N47 HydrophobicContact CE1-CB 3.7Å; F12-N47 HydrophobicContact CE2-CB 4.18Å; F12-N47 WeakPolarHBondContact CE2-ND2 3.39Å; F12-N47 HydrophobicContact CG-CB 4.07Å; F12-N47 HydrophobicContact CZ-CB 3.9Å; F12-N47 WeakPolarHBondContact CZ-ND2 3.23Å; N47-Q49 VanDerWaalsContact C-N 3.31Å; N47-Q49 PolarHBondContact O-N 2.61Å; N47-Q49 PolarHBondContact OD1-N 3.13Å; N47-Q50 PolarHBondContact O-N 3.27Å; N47-Q50 WeakPolarHBondContact OD1-CB 3.36Å; N47-Q50 VanDerWaalsContact OD1-CG 3.26Å; N47-Q50 WeakPolarHBondContact OD1-CG 3.37Å; N47-Q50 PolarHBondContact OD1-N 2.93Å; N47-R51 WeakPolarHBondContact O-CG 3.26Å; N47-R51 PolarHBondContact O-N 3.4Å; N47-E292 WeakPolarHBondContact CB-OE2 3.42Å
48L98.5Very high98.5Very high37 Ų3741.4 Ų41.419%0.19419%0.189CC..Hα-helixtrans-56.4-43.9-178-178.163.2000112.8Q50 R51 Y52 L85 E292L48-Q50 PolarHBondContact O-N 3.14Å; L48-R51 PolarHBondContact O-N 2.84Å; L48-Y52 HydrophobicContact CD1-CD1 4.47Å; L48-Y52 HydrophobicContact CD1-CE1 3.87Å; L48-Y52 HydrophobicContact CD1-CE2 3.97Å; L48-Y52 HydrophobicContact CD2-CE2 4.15Å; L48-Y52 HydrophobicContact CG-CD2 4.3Å; L48-Y52 HydrophobicContact CG-CE2 3.81Å; L48-Y52 PolarHBondContact O-N 3.31Å; L48-L85 WeakPolarHBondContact CD1-O 3.29Å; L48-E292 PolarHBondContact N-OE1 3.44Å; L48-E292 PolarHBondContact N-OE2 3.11Å
49Q98.1Very high98.6Very high132 Ų13244.9 Ų44.962%0.61720%0.203SC*.Hα-helixtrans-62.3-43.7-179.9-176.4-179-6.900111.5N47 Y52 Q53N47-Q49 VanDerWaalsContact C-N 3.31Å; N47-Q49 PolarHBondContact O-N 2.61Å; N47-Q49 PolarHBondContact OD1-N 3.13Å; Q49-Y52 PolarHBondContact O-N 2.77Å; Q49-Q53 WeakPolarHBondContact O-CG 3.2Å; Q49-Q53 PolarHBondContact O-N 2.71Å
50Q98.8Very high98.6Very high11 Ų1151.7 Ų51.75%0.05123%0.228CC..Hα-helixtrans-65.5-41.7176.3-74.1172.8-12.300111.6P13 I16 R46 N47 L48 Y52 Q53 I54P13-Q50 PolarHBondContact O-NE2 3.04Å; I16-Q50 HydrophobicContact CD1-CB 3.84Å; I16-Q50 HydrophobicContact CD1-CG 3.98Å; I16-Q50 HydrophobicContact CG1-CG 4.2Å; I16-Q50 HydrophobicContact CG2-CG 4.32Å; R46-Q50 HydrophobicContact CB-CB 4.02Å; N47-Q50 PolarHBondContact O-N 3.27Å; N47-Q50 WeakPolarHBondContact OD1-CB 3.36Å; N47-Q50 VanDerWaalsContact OD1-CG 3.26Å; N47-Q50 WeakPolarHBondContact OD1-CG 3.37Å; N47-Q50 PolarHBondContact OD1-N 2.93Å; L48-Q50 PolarHBondContact O-N 3.14Å; Q50-Y52 VanDerWaalsContact C-N 3.28Å; Q50-Y52 PolarHBondContact O-N 3.41Å; Q50-Q53 WeakPolarHBondContact O-CB 3.42Å; Q50-Q53 PolarHBondContact O-N 3.37Å; Q50-Q53 VanDerWaalsContact O-N 3.17Å; Q50-I54 WeakPolarHBondContact O-CD1 3.4Å; Q50-I54 WeakPolarHBondContact O-CG1 3.23Å; Q50-I54 PolarHBondContact O-N 3.2Å
51R98.8Very high98.5Very high7 Ų757.3 Ų57.33%0.02625%0.248CC..Hα-helixtrans-59.3-39.6174.2-68.6-174-56.6-101.42111.2L43 R46 N47 L48 I54 R55 L85 F86 E292L43-R51 HydrophobicContact CD2-CG 4.41Å; R46-R51 HydrophobicContact CB-CG 3.73Å; R46-R51 PolarHBondContact O-NH1 3.13Å; N47-R51 WeakPolarHBondContact O-CG 3.26Å; N47-R51 PolarHBondContact O-N 3.4Å; L48-R51 PolarHBondContact O-N 2.84Å; R51-I54 PolarHBondContact O-N 3.49Å; R51-R55 WeakPolarHBondContact O-CB 3.28Å; R51-R55 PolarHBondContact O-N 3.37Å; R51-L85 PolarHBondContact NE-O 3.13Å; R51-L85 PolarHBondContact NH2-O 3.26Å; R51-F86 HydrophobicContact CB-CD1 4.06Å; R51-F86 HydrophobicContact CB-CE1 3.8Å; R51-F86 HydrophobicContact CB-CZ 4.3Å; R51-F86 WeakPolarHBondContact O-CE1 3.31Å; R51-E292 IonicContact CZ-OE1 3.81Å; R51-E292 VanDerWaalsContact CZ-OE1 3.3Å; R51-E292 IonicContact NH1-OE1 3.87Å; R51-E292 PolarHBondContact NH1-OE1 2.97Å; R51-E292 IonicContact NH2-OE1 3.39Å; R51-E292 PolarHBondContact NH2-OE1 2.79Å
52Y98.7Very high98.5Very high85 Ų8552.9 Ų52.933%0.33323%0.228SC..Hα-helixtrans-64.8-43.3172.8-69.2-22000113.5L48 Q49 Q50 I54 R55 E56 F86 G88L48-Y52 HydrophobicContact CD1-CD1 4.47Å; L48-Y52 HydrophobicContact CD1-CE1 3.87Å; L48-Y52 HydrophobicContact CD1-CE2 3.97Å; L48-Y52 HydrophobicContact CD2-CE2 4.15Å; L48-Y52 HydrophobicContact CG-CD2 4.3Å; L48-Y52 HydrophobicContact CG-CE2 3.81Å; L48-Y52 PolarHBondContact O-N 3.31Å; Q49-Y52 PolarHBondContact O-N 2.77Å; Q50-Y52 VanDerWaalsContact C-N 3.28Å; Q50-Y52 PolarHBondContact O-N 3.41Å; Y52-I54 VanDerWaalsContact C-N 3.31Å; Y52-I54 PolarHBondContact O-N 3.49Å; Y52-R55 PolarHBondContact O-N 3.48Å; Y52-E56 WeakPolarHBondContact O-CG 3.36Å; Y52-E56 PolarHBondContact O-N 3.48Å; Y52-F86 WeakPolarHBondContact CE1-O 3.46Å; Y52-F86 PolarHBondContact OH-O 2.99Å; Y52-G88 PolarHBondContact OH-N 3.08Å
53Q98.6Very high98.5Very high77 Ų7759.9 Ų59.936%0.3626%0.258SS..Hα-helixtrans-58.7-43.5174.6-70.3170.6-6.900111.9A18 Q49 Q50 E56 T57A18-Q53 HydrophobicContact CB-CB 4.41Å; Q49-Q53 WeakPolarHBondContact O-CG 3.2Å; Q49-Q53 PolarHBondContact O-N 2.71Å; Q50-Q53 WeakPolarHBondContact O-CB 3.42Å; Q50-Q53 PolarHBondContact O-N 3.37Å; Q50-Q53 VanDerWaalsContact O-N 3.17Å; Q53-E56 PolarHBondContact O-N 2.87Å; Q53-T57 WeakPolarHBondContact O-CB 3.4Å; Q53-T57 PolarHBondContact O-N 2.9Å; Q53-T57 PolarHBondContact O-OG1 2.9Å
54I98.9Very high98.5Very high0 Ų065.4 Ų65.40%028%0.282CS..Hα-helixtrans-63-44.2176.9-62161.5000110.3I16 A18 D21 A22 L25 I42 R46 Q50 R51 Y52 E56 T57 F58 L66I16-I54 HydrophobicContact CD1-CD1 3.99Å; I16-I54 HydrophobicContact CD1-CG1 3.8Å; A18-I54 HydrophobicContact CB-CG1 4.33Å; D21-I54 HydrophobicContact CB-CD1 3.8Å; D21-I54 HydrophobicContact CB-CG1 3.83Å; D21-I54 HydrophobicContact CB-CG2 4.03Å; D21-I54 WeakPolarHBondContact OD2-CD1 3.46Å; A22-I54 HydrophobicContact CB-CG2 4.3Å; L25-I54 HydrophobicContact CD1-CG2 3.78Å; I42-I54 HydrophobicContact CG2-CD1 4.29Å; R46-I54 HydrophobicContact CB-CD1 4.45Å; R46-I54 HydrophobicContact CG-CD1 3.79Å; Q50-I54 WeakPolarHBondContact O-CD1 3.4Å; Q50-I54 WeakPolarHBondContact O-CG1 3.23Å; Q50-I54 PolarHBondContact O-N 3.2Å; R51-I54 PolarHBondContact O-N 3.49Å; Y52-I54 VanDerWaalsContact C-N 3.31Å; Y52-I54 PolarHBondContact O-N 3.49Å; I54-E56 PolarHBondContact O-N 3.27Å; I54-T57 PolarHBondContact O-N 2.86Å; I54-F58 VanDerWaalsContact O-CB 3.24Å; I54-F58 WeakPolarHBondContact O-CB 3.24Å; I54-F58 PolarHBondContact O-N 2.96Å; I54-L66 HydrophobicContact CG2-CD2 3.84Å
55R98.7Very high98.5Very high86 Ų8668 Ų6833%0.32530%0.296SS..Hα-helixtrans-60.6-44.3177.5-179.4172.7-176.5-169.50.8112.3R51 Y52 F58 H59 D65 L66 F86R51-R55 WeakPolarHBondContact O-CB 3.28Å; R51-R55 PolarHBondContact O-N 3.37Å; Y52-R55 PolarHBondContact O-N 3.48Å; R55-F58 PolarHBondContact O-N 2.97Å; R55-H59 PolarHBondContact O-N 3.49Å; R55-D65 IonicContact CZ-OD2 3.48Å; R55-D65 IonicContact NE-OD2 2.76Å; R55-D65 PolarHBondContact NE-OD2 2.6Å; R55-D65 IonicContact NH2-OD1 2.66Å; R55-D65 IonicContact NH2-OD2 3.79Å; R55-D65 PolarHBondContact NH2-OD2 3.12Å; R55-L66 HydrophobicContact CB-CB 4.27Å; R55-L66 HydrophobicContact CB-CD2 4.17Å; R55-L66 HydrophobicContact CG-CB 4.06Å; R55-F86 HydrophobicContact CB-CD1 4.34Å; R55-F86 HydrophobicContact CB-CE1 4.07Å
56E98.7Very high98.5Very high125 Ų12565.4 Ų65.458%0.58428%0.284SS*.Hα-helixtrans-64.4-45.6176.9-72.9-176.6176.700112.2Y52 Q53 I54 H59 R60Y52-E56 WeakPolarHBondContact O-CG 3.36Å; Y52-E56 PolarHBondContact O-N 3.48Å; Q53-E56 PolarHBondContact O-N 2.87Å; I54-E56 PolarHBondContact O-N 3.27Å; E56-H59 PolarHBondContact O-N 3.23Å; E56-R60 PolarHBondContact O-N 3.27Å
57T98.8Very high98.5Very high14 Ų1464.9 Ų64.99%0.08628%0.284CS..Hα-helixtrans-64.8-40.1177.5-71.10000111.7A18 E19 A22 Q53 I54 H59 R60 R61A18-T57 HydrophobicContact CB-CG2 4.42Å; E19-T57 HydrophobicContact CB-CG2 4.39Å; E19-T57 HydrophobicContact CG-CG2 3.95Å; A22-T57 HydrophobicContact CB-CG2 4.22Å; Q53-T57 WeakPolarHBondContact O-CB 3.4Å; Q53-T57 PolarHBondContact O-N 2.9Å; Q53-T57 PolarHBondContact O-OG1 2.9Å; I54-T57 PolarHBondContact O-N 2.86Å; T57-H59 PolarHBondContact O-N 2.63Å; T57-R60 PolarHBondContact O-N 3.39Å; T57-R60 PolarHBondContact OG1-NH1 3.28Å; T57-R61 WeakPolarHBondContact O-CB 3.3Å; T57-R61 PolarHBondContact O-N 3.5Å
58F98.8Very high98.5Very high0 Ų070.2 Ų70.20%031%0.308CS..Hα-helixtrans-59.2-45.9173.6-170.5-82.6000111.5A22 H26 I54 R55 R61 Y62 K64 L66 V69A22-F58 HydrophobicContact CB-CB 3.93Å; A22-F58 HydrophobicContact CB-CD2 4.03Å; A22-F58 HydrophobicContact CB-CG 4.48Å; A22-F58 WeakPolarHBondContact O-CD2 3.42Å; H26-F58 HydrophobicContact CB-CE2 3.72Å; H26-F58 HydrophobicContact CB-CZ 4.36Å; I54-F58 VanDerWaalsContact O-CB 3.24Å; I54-F58 WeakPolarHBondContact O-CB 3.24Å; I54-F58 PolarHBondContact O-N 2.96Å; R55-F58 PolarHBondContact O-N 2.97Å; F58-R61 PolarHBondContact O-N 3.3Å; F58-Y62 HydrophobicContact CD1-CD2 4.14Å; F58-Y62 AromaticContact CD2-CD2 3.66Å; F58-Y62 HydrophobicContact CD2-CD2 3.66Å; F58-Y62 AromaticContact CD2-CE2 3.95Å; F58-Y62 HydrophobicContact CD2-CE2 3.95Å; F58-Y62 HydrophobicContact CE1-CD2 4.18Å; F58-Y62 AromaticContact CE2-CD2 3.73Å; F58-Y62 HydrophobicContact CE2-CD2 3.73Å; F58-Y62 HydrophobicContact CE2-CE2 4.04Å; F58-Y62 AromaticContact CG-CD2 3.89Å; F58-Y62 HydrophobicContact CG-CD2 3.89Å; F58-Y62 AromaticContact CZ-CD2 3.99Å; F58-Y62 HydrophobicContact CZ-CD2 3.99Å; F58-Y62 WeakPolarHBondContact O-CB 3.13Å; F58-Y62 PolarHBondContact O-N 3Å; F58-K64 WeakPolarHBondContact CD1-O 3.5Å; F58-K64 HydrophobicContact CE1-CB 3.98Å; F58-L66 HydrophobicContact CB-CB 4.07Å; F58-L66 HydrophobicContact CB-CD2 4.46Å; F58-L66 HydrophobicContact CD1-CB 3.85Å; F58-L66 HydrophobicContact CD1-CD1 4.28Å; F58-L66 HydrophobicContact CD2-CD1 3.61Å; F58-L66 HydrophobicContact CE1-CB 4.42Å; F58-L66 HydrophobicContact CE1-CD1 4.39Å; F58-L66 HydrophobicContact CE2-CD1 3.72Å; F58-L66 HydrophobicContact CG-CB 3.9Å; F58-L66 HydrophobicContact CG-CD1 3.9Å; F58-L66 HydrophobicContact CG-CG 4.36Å; F58-L66 HydrophobicContact CZ-CD1 4.13Å; F58-V69 HydrophobicContact CE1-CB 4.28Å; F58-V69 HydrophobicContact CE1-CG2 3.89Å; F58-V69 HydrophobicContact CZ-CB 4.11Å; F58-V69 HydrophobicContact CZ-CG1 4.06Å; F58-V69 HydrophobicContact CZ-CG2 4.03Å
59H98.6Very high98.4Very high105 Ų10569.2 Ų69.249%0.48630%0.303SS..Hα-helixtrans-61.9-45.1175.6-178.774.7000112R55 E56 T57 R61 K63 K64R55-H59 PolarHBondContact O-N 3.49Å; E56-H59 PolarHBondContact O-N 3.23Å; T57-H59 PolarHBondContact O-N 2.63Å; H59-R61 VanDerWaalsContact C-N 3.3Å; H59-R61 PolarHBondContact O-N 3.27Å; H59-K63 WeakPolarHBondContact O-CA 3.47Å; H59-K63 PolarHBondContact O-N 2.89Å; H59-K64 VanDerWaalsContact CA-O 3.31Å; H59-K64 WeakPolarHBondContact CA-O 3.3Å
60R98.6Very high98.5Very high142 Ų14263 Ų6354%0.53627%0.274SS..Hα-helixtrans-57.4-44.6178.8-168.9-176-56.7114.77.5111.7E56 T57 K63E56-R60 PolarHBondContact O-N 3.27Å; T57-R60 PolarHBondContact O-N 3.39Å; T57-R60 PolarHBondContact OG1-NH1 3.28Å; R60-K63 PolarHBondContact O-NZ 3.05Å
61R98.3Very high98.3Very high130 Ų13063.3 Ų63.349%0.49128%0.277SS..Hα-helixtrans-78.8-47.5-175.2-174.9173.3176.8108.6-13.4113.4E23 T57 F58 H59E23-R61 IonicContact OE1-NH2 3.09Å; E23-R61 IonicContact OE2-CZ 2.86Å; E23-R61 IonicContact OE2-NH2 3.81Å; E23-R61 PolarHBondContact OE2-NH2 3.02Å; E23-R61 VanDerWaalsContact OE2-NH2 3.09Å; T57-R61 WeakPolarHBondContact O-CB 3.3Å; T57-R61 PolarHBondContact O-N 3.5Å; F58-R61 PolarHBondContact O-N 3.3Å; H59-R61 VanDerWaalsContact C-N 3.3Å; H59-R61 PolarHBondContact O-N 3.27Å
62Y97.8Very high98.1Very high48 Ų4867 Ų6719%0.18831%0.305CS..Hα-helixtrans-106.5-4.8-170.2-58.5-66.1000114.4E23 H26 F58 K64E23-Y62 WeakPolarHBondContact CA-OH 3.25Å; H26-Y62 HydrophobicContact CB-CD2 4.2Å; H26-Y62 HydrophobicContact CB-CE1 4.24Å; H26-Y62 HydrophobicContact CB-CE2 3.57Å; H26-Y62 AromaticContact CD2-CE1 3.63Å; H26-Y62 AromaticContact CD2-CZ 3.81Å; H26-Y62 AromaticContact CE1-CD1 3.86Å; H26-Y62 AromaticContact CG-CE1 3.66Å; H26-Y62 AromaticContact CG-CE2 3.83Å; H26-Y62 AromaticContact CG-CZ 3.54Å; H26-Y62 AromaticContact ND1-CD1 3.82Å; H26-Y62 AromaticContact ND1-CE1 3.92Å; H26-Y62 AromaticContact ND1-CG 3.92Å; H26-Y62 AromaticContact NE2-CE1 3.88Å; F58-Y62 HydrophobicContact CD1-CD2 4.14Å; F58-Y62 AromaticContact CD2-CD2 3.66Å; F58-Y62 HydrophobicContact CD2-CD2 3.66Å; F58-Y62 AromaticContact CD2-CE2 3.95Å; F58-Y62 HydrophobicContact CD2-CE2 3.95Å; F58-Y62 HydrophobicContact CE1-CD2 4.18Å; F58-Y62 AromaticContact CE2-CD2 3.73Å; F58-Y62 HydrophobicContact CE2-CD2 3.73Å; F58-Y62 HydrophobicContact CE2-CE2 4.04Å; F58-Y62 AromaticContact CG-CD2 3.89Å; F58-Y62 HydrophobicContact CG-CD2 3.89Å; F58-Y62 AromaticContact CZ-CD2 3.99Å; F58-Y62 HydrophobicContact CZ-CD2 3.99Å; F58-Y62 WeakPolarHBondContact O-CB 3.13Å; F58-Y62 PolarHBondContact O-N 3Å; Y62-K64 PolarHBondContact O-N 2.91Å
63K98.1Very high97.8Very high152 Ų15264.5 Ų64.566%0.66130%0.3SS*.SBendtrans54.832.4-176.8-51.7-53.4-174.2-161.40113.3H59 R60H59-K63 WeakPolarHBondContact O-CA 3.47Å; H59-K63 PolarHBondContact O-N 2.89Å; R60-K63 PolarHBondContact O-NZ 3.05Å
64K97.9Very high97.6Very high117 Ų11761.5 Ų61.551%0.50929%0.286SS..SBendtrans-130.9152.7-179.8-70.5178.7-178.1-173.90109.8F58 H59 Y62 V69F58-K64 WeakPolarHBondContact CD1-O 3.5Å; F58-K64 HydrophobicContact CE1-CB 3.98Å; H59-K64 VanDerWaalsContact CA-O 3.31Å; H59-K64 WeakPolarHBondContact CA-O 3.3Å; Y62-K64 PolarHBondContact O-N 2.91Å; K64-V69 HydrophobicContact CB-CG2 3.93Å; K64-V69 HydrophobicContact CD-CG2 4.01Å
65D98.2Very high97.4Very high53 Ų5370 Ų7028%0.28332%0.323SS..  trans-78128170.1179.5-101.3000110.3R55 V67 H68 V69R55-D65 IonicContact CZ-OD2 3.48Å; R55-D65 IonicContact NE-OD2 2.76Å; R55-D65 PolarHBondContact NE-OD2 2.6Å; R55-D65 IonicContact NH2-OD1 2.66Å; R55-D65 IonicContact NH2-OD2 3.79Å; R55-D65 PolarHBondContact NH2-OD2 3.12Å; D65-V67 PolarHBondContact O-N 3.45Å; D65-V67 WeakPolarHBondContact OD1-CB 3.47Å; D65-V67 PolarHBondContact OD1-N 2.86Å; D65-V67 VanDerWaalsContact OD1-N 3.11Å; D65-H68 HydrophobicContact CB-CB 4Å; D65-H68 PolarHBondContact O-N 2.95Å; D65-H68 PolarHBondContact OD1-N 3.24Å; D65-V69 WeakPolarHBondContact O-CG2 3.38Å; D65-V69 PolarHBondContact O-N 2.95Å
66L98.7Very high97.3Very high0 Ų068 Ų680%033%0.33CS..Hα-helixtrans-62.5-43.7-177.1174.559000112.2L25 I54 R55 F58 H68 V69 L70 F86L25-L66 HydrophobicContact CB-CD1 4.09Å; L25-L66 HydrophobicContact CD1-CD1 4Å; L25-L66 HydrophobicContact CD1-CD2 3.95Å; I54-L66 HydrophobicContact CG2-CD2 3.84Å; R55-L66 HydrophobicContact CB-CB 4.27Å; R55-L66 HydrophobicContact CB-CD2 4.17Å; R55-L66 HydrophobicContact CG-CB 4.06Å; F58-L66 HydrophobicContact CB-CB 4.07Å; F58-L66 HydrophobicContact CB-CD2 4.46Å; F58-L66 HydrophobicContact CD1-CB 3.85Å; F58-L66 HydrophobicContact CD1-CD1 4.28Å; F58-L66 HydrophobicContact CD2-CD1 3.61Å; F58-L66 HydrophobicContact CE1-CB 4.42Å; F58-L66 HydrophobicContact CE1-CD1 4.39Å; F58-L66 HydrophobicContact CE2-CD1 3.72Å; F58-L66 HydrophobicContact CG-CB 3.9Å; F58-L66 HydrophobicContact CG-CD1 3.9Å; F58-L66 HydrophobicContact CG-CG 4.36Å; F58-L66 HydrophobicContact CZ-CD1 4.13Å; L66-H68 VanDerWaalsContact C-N 3.34Å; L66-H68 PolarHBondContact O-N 3.39Å; L66-V69 PolarHBondContact O-N 3.41Å; L66-L70 HydrophobicContact CD1-CD1 3.85Å; L66-L70 HydrophobicContact CD1-CG 3.93Å; L66-L70 HydrophobicContact CG-CD1 3.83Å; L66-L70 HydrophobicContact CG-CG 4.37Å; L66-L70 WeakPolarHBondContact O-CG 3.47Å; L66-L70 PolarHBondContact O-N 3.22Å; L66-F86 HydrophobicContact CD2-CE1 3.9Å; L66-F86 HydrophobicContact CD2-CZ 3.76Å; L66-F86 HydrophobicContact CG-CZ 4.28Å
67V98.4Very high97.3Very high19 Ų1965 Ų6512%0.11532%0.318CS..Hα-helixtrans-64.1-44.7-178-178.20000109.5D65 V69 L70 C71 K83 F86D65-V67 PolarHBondContact O-N 3.45Å; D65-V67 WeakPolarHBondContact OD1-CB 3.47Å; D65-V67 PolarHBondContact OD1-N 2.86Å; D65-V67 VanDerWaalsContact OD1-N 3.11Å; V67-V69 VanDerWaalsContact C-N 3.33Å; V67-V69 PolarHBondContact O-N 3.02Å; V67-L70 PolarHBondContact O-N 3.31Å; V67-C71 WeakPolarHBondContact O-CB 3.22Å; V67-C71 PolarHBondContact O-N 3Å; V67-C71 PolarHBondContact O-SG 3.09Å; V67-K83 HydrophobicContact CG1-CG 4.04Å; V67-F86 HydrophobicContact CG2-CB 3.7Å; V67-F86 HydrophobicContact CG2-CD1 3.92Å; V67-F86 HydrophobicContact CG2-CD2 3.69Å; V67-F86 HydrophobicContact CG2-CE1 4.43Å; V67-F86 HydrophobicContact CG2-CE2 4.25Å; V67-F86 HydrophobicContact CG2-CG 3.5Å
68H98Very high97.3Very high135 Ų13565.1 Ų65.163%0.62532%0.317SS*.Hα-helixtrans-57.6-43.6174.2-177.8-77.7000112.5D65 L66 C71 S72D65-H68 HydrophobicContact CB-CB 4Å; D65-H68 PolarHBondContact O-N 2.95Å; D65-H68 PolarHBondContact OD1-N 3.24Å; L66-H68 VanDerWaalsContact C-N 3.34Å; L66-H68 PolarHBondContact O-N 3.39Å; H68-C71 PolarHBondContact O-N 3.31Å; H68-S72 WeakPolarHBondContact O-CB 3.15Å; H68-S72 PolarHBondContact O-N 3.29Å
69V98Very high97.2Very high16 Ų1667.1 Ų67.110%0.09733%0.326CS..Hα-helixtrans-63.6-49.3178171.90000111.2C29 F58 K64 D65 L66 V67 C71 S72C29-V69 HydrophobicContact CB-CG1 3.72Å; F58-V69 HydrophobicContact CE1-CB 4.28Å; F58-V69 HydrophobicContact CE1-CG2 3.89Å; F58-V69 HydrophobicContact CZ-CB 4.11Å; F58-V69 HydrophobicContact CZ-CG1 4.06Å; F58-V69 HydrophobicContact CZ-CG2 4.03Å; K64-V69 HydrophobicContact CB-CG2 3.93Å; K64-V69 HydrophobicContact CD-CG2 4.01Å; D65-V69 WeakPolarHBondContact O-CG2 3.38Å; D65-V69 PolarHBondContact O-N 2.95Å; L66-V69 PolarHBondContact O-N 3.41Å; V67-V69 VanDerWaalsContact C-N 3.33Å; V67-V69 PolarHBondContact O-N 3.02Å; V69-C71 VanDerWaalsContact C-N 3.27Å; V69-C71 PolarHBondContact O-N 3.18Å; V69-S72 PolarHBondContact O-N 3.21Å; V69-S72 PolarHBondContact O-OG 3.25Å
70L98.1Very high97.2Very high0 Ų063.9 Ų63.90%032%0.315CS..Hα-helixtrans-58.2-42.2177.5-68.5166.2000111.4L25 I39 L43 L66 V67 S72 S73 T74 I82 F86L25-L70 HydrophobicContact CD2-CD2 4.22Å; I39-L70 HydrophobicContact CD1-CD2 3.79Å; I39-L70 HydrophobicContact CG1-CD2 3.87Å; I39-L70 HydrophobicContact CG2-CD2 3.96Å; L43-L70 HydrophobicContact CD1-CD1 4.06Å; L66-L70 HydrophobicContact CD1-CD1 3.85Å; L66-L70 HydrophobicContact CD1-CG 3.93Å; L66-L70 HydrophobicContact CG-CD1 3.83Å; L66-L70 HydrophobicContact CG-CG 4.37Å; L66-L70 WeakPolarHBondContact O-CG 3.47Å; L66-L70 PolarHBondContact O-N 3.22Å; V67-L70 PolarHBondContact O-N 3.31Å; L70-S72 VanDerWaalsContact C-N 3.34Å; L70-S72 PolarHBondContact O-N 2.86Å; L70-S73 PolarHBondContact O-N 3.5Å; L70-T74 WeakPolarHBondContact O-CB 3.48Å; L70-T74 WeakPolarHBondContact O-CG2 3.28Å; L70-T74 PolarHBondContact O-N 3.03Å; L70-T74 VanDerWaalsContact O-N 3.12Å; L70-T74 PolarHBondContact O-OG1 3.08Å; L70-I82 HydrophobicContact CB-CG2 4Å; L70-I82 HydrophobicContact CD1-CG2 3.9Å; L70-F86 HydrophobicContact CD1-CE2 4Å; L70-F86 HydrophobicContact CD1-CZ 4.24Å
71C95.4Very high97.2Very high18 Ų1857.1 Ų57.112%0.12229%0.29CS..Hα-helixtrans-75.1-22.1-178.8-59.90000113.4V67 H68 V69 S73 E79 K83V67-C71 WeakPolarHBondContact O-CB 3.22Å; V67-C71 PolarHBondContact O-N 3Å; V67-C71 PolarHBondContact O-SG 3.09Å; H68-C71 PolarHBondContact O-N 3.31Å; V69-C71 VanDerWaalsContact C-N 3.27Å; V69-C71 PolarHBondContact O-N 3.18Å; C71-S73 PolarHBondContact O-N 3.17Å; C71-E79 HydrophobicContact CB-CG 3.87Å; C71-K83 WeakPolarHBondContact SG-CE 3.37Å; C71-K83 WeakPolarHBondContact SG-CG 3.29Å
72S95Very high97.3Very high85 Ų8550.9 Ų50.959%0.59427%0.266SS*.Hα-helixtrans-71.3-16.2171.469.30000113.1H68 V69 L70H68-S72 WeakPolarHBondContact O-CB 3.15Å; H68-S72 PolarHBondContact O-N 3.29Å; V69-S72 PolarHBondContact O-N 3.21Å; V69-S72 PolarHBondContact O-OG 3.25Å; L70-S72 VanDerWaalsContact C-N 3.34Å; L70-S72 PolarHBondContact O-N 2.86Å
73S91.5Very high97.3Very high33 Ų3351.5 Ų51.523%0.23127%0.27CS..SBendtrans-115.2-2.5-175.3-65.10000113.3T34 L70 C71T34-S73 WeakPolarHBondContact OG1-CB 3.16Å; T34-S73 PolarHBondContact OG1-O 3.31Å; L70-S73 PolarHBondContact O-N 3.5Å; C71-S73 PolarHBondContact O-N 3.17Å
74T95.2Very high97.3Very high13 Ų1344.5 Ų44.58%0.0824%0.24CC..  trans-129.2163.6-178.556.20000110.1T34 I39 L70 Y78 I82T34-T74 HydrophobicContact CG2-CG2 4.37Å; I39-T74 HydrophobicContact CD1-CG2 4.48Å; L70-T74 WeakPolarHBondContact O-CB 3.48Å; L70-T74 WeakPolarHBondContact O-CG2 3.28Å; L70-T74 PolarHBondContact O-N 3.03Å; L70-T74 VanDerWaalsContact O-N 3.12Å; L70-T74 PolarHBondContact O-OG1 3.08Å; T74-Y78 HydrophobicContact CG2-CD1 3.71Å; T74-Y78 HydrophobicContact CG2-CE1 3.59Å; T74-I82 HydrophobicContact CG2-CD1 3.93Å
75K95.2Very high97.4Very high179 Ų17939 Ų3978%0.77822%0.216SC*.  trans-146.6165.9-179.862.4-176.4176.2-176.80112.4E79K75-E79 WeakPolarHBondContact CA-OE2 3.44Å; K75-E79 PolarHBondContact O-N 3.31Å
76G96.5Very high97.4Very high45 Ų4536.9 Ų36.946%0.46420%0.204SC..Hα-helixtrans65.7-145.2171.900000113.2Y78 E79 S80G76-Y78 VanDerWaalsContact C-N 3.28Å; G76-Y78 PolarHBondContact O-N 2.96Å; G76-E79 WeakPolarHBondContact O-CB 3.47Å; G76-E79 PolarHBondContact O-N 3.32Å; G76-S80 PolarHBondContact O-N 2.89Å; G76-S80 PolarHBondContact O-OG 3.22Å
77D97.5Very high97.4Very high62 Ų6239.6 Ų39.633%0.33222%0.215SC..Hα-helixtrans-70.4-26.3-175.1-52.8-56000112.9S80 L81 E280 F322D77-S80 PolarHBondContact O-N 3.25Å; D77-L81 WeakPolarHBondContact O-CB 3.41Å; D77-L81 PolarHBondContact O-N 3.01Å; D77-E280 HydrophobicContact CB-CB 4.36Å; D77-E280 HydrophobicContact CB-CG 4.2Å; D77-F322 HydrophobicContact CB-CD1 3.97Å; D77-F322 HydrophobicContact CB-CD2 3.79Å; D77-F322 HydrophobicContact CB-CE1 4.04Å; D77-F322 HydrophobicContact CB-CE2 3.88Å; D77-F322 HydrophobicContact CB-CG 3.84Å; D77-F322 HydrophobicContact CB-CZ 3.99Å; D77-F322 WeakPolarHBondContact O-CD2 3.42Å
78Y98.5Very high97.4Very high15 Ų1539.1 Ų39.16%0.05921%0.214CC..Hα-helixtrans-63.7-46.9171.9-174.6-121000111.6E36 I39 T40 T74 G76 S80 L81 I82 D321 L325E36-Y78 HydrophobicContact CB-CE1 4.04Å; E36-Y78 HydrophobicContact CG-CD1 4.34Å; E36-Y78 HydrophobicContact CG-CE1 3.65Å; E36-Y78 PolarHBondContact O-OH 3.34Å; I39-Y78 WeakPolarHBondContact CG2-OH 3.44Å; T40-Y78 PolarHBondContact OG1-OH 3.22Å; T74-Y78 HydrophobicContact CG2-CD1 3.71Å; T74-Y78 HydrophobicContact CG2-CE1 3.59Å; G76-Y78 VanDerWaalsContact C-N 3.28Å; G76-Y78 PolarHBondContact O-N 2.96Å; Y78-S80 VanDerWaalsContact C-N 3.32Å; Y78-S80 PolarHBondContact O-N 2.61Å; Y78-L81 PolarHBondContact O-N 3.37Å; Y78-I82 HydrophobicContact CD1-CD1 3.87Å; Y78-I82 HydrophobicContact CE1-CD1 3.53Å; Y78-I82 HydrophobicContact CE2-CD1 4.24Å; Y78-I82 HydrophobicContact CG-CD1 4.35Å; Y78-I82 WeakPolarHBondContact O-CG1 3.46Å; Y78-I82 PolarHBondContact O-N 3.23Å; Y78-D321 HydrophobicContact CD1-CB 4.23Å; Y78-D321 HydrophobicContact CD2-CB 3.87Å; Y78-D321 WeakPolarHBondContact CD2-O 3.26Å; Y78-D321 HydrophobicContact CE1-CB 4.16Å; Y78-D321 HydrophobicContact CE2-CB 3.77Å; Y78-D321 WeakPolarHBondContact CE2-O 3.47Å; Y78-D321 HydrophobicContact CG-CB 4.09Å; Y78-L325 HydrophobicContact CD2-CB 4.33Å; Y78-L325 HydrophobicContact CD2-CD2 4.15Å; Y78-L325 HydrophobicContact CE2-CB 3.87Å; Y78-L325 HydrophobicContact CE2-CD2 3.7Å; Y78-L325 HydrophobicContact CE2-CG 4.44Å
79E98.3Very high97.4Very high42 Ų4236 Ų3620%0.19621%0.207CC..Hα-helixtrans-61.2-42.5173.9-175.4-166.3154.300111.2C71 K75 G76 I82 K83C71-E79 HydrophobicContact CB-CG 3.87Å; K75-E79 WeakPolarHBondContact CA-OE2 3.44Å; K75-E79 PolarHBondContact O-N 3.31Å; G76-E79 WeakPolarHBondContact O-CB 3.47Å; G76-E79 PolarHBondContact O-N 3.32Å; E79-I82 PolarHBondContact O-N 3.01Å; E79-K83 WeakPolarHBondContact O-CG 3.27Å; E79-K83 PolarHBondContact O-N 3.27Å; E79-K83 WeakPolarHBondContact OE1-CE 3.5Å; E79-K83 IonicContact OE1-NZ 3.63Å; E79-K83 PolarHBondContact OE1-NZ 2.87Å
80S98.5Very high97.4Very high37 Ų3736.7 Ų36.726%0.25921%0.21SC..Hα-helixtrans-62-45.6178.4-62.30000111.7G76 D77 Y78 K83 T84G76-S80 PolarHBondContact O-N 2.89Å; G76-S80 PolarHBondContact O-OG 3.22Å; D77-S80 PolarHBondContact O-N 3.25Å; Y78-S80 VanDerWaalsContact C-N 3.32Å; Y78-S80 PolarHBondContact O-N 2.61Å; S80-K83 PolarHBondContact O-N 3.29Å; S80-T84 PolarHBondContact O-N 3.42Å; S80-T84 PolarHBondContact O-OG1 3.04Å
81L98.8Very high97.4Very high0 Ų040.2 Ų40.20%023%0.226CC..Hα-helixtrans-61.8-43.7175.7179.755.1000111.8D77 Y78 K83 T84 L85 I284 C288 F322 L325 L326 L329D77-L81 WeakPolarHBondContact O-CB 3.41Å; D77-L81 PolarHBondContact O-N 3.01Å; Y78-L81 PolarHBondContact O-N 3.37Å; L81-K83 PolarHBondContact O-N 2.87Å; L81-T84 PolarHBondContact O-N 3.27Å; L81-L85 HydrophobicContact CD1-CG 4.44Å; L81-L85 WeakPolarHBondContact O-CG 3.25Å; L81-L85 PolarHBondContact O-N 3.15Å; L81-I284 HydrophobicContact CB-CD1 4.24Å; L81-I284 HydrophobicContact CB-CG1 4.28Å; L81-I284 HydrophobicContact CD1-CG1 4.26Å; L81-I284 HydrophobicContact CD1-CG2 3.94Å; L81-C288 WeakPolarHBondContact CD1-SG 3.43Å; L81-F322 HydrophobicContact CB-CD2 4.2Å; L81-F322 HydrophobicContact CB-CE2 4.16Å; L81-F322 HydrophobicContact CD2-CD2 3.89Å; L81-F322 HydrophobicContact CD2-CE2 3.94Å; L81-L325 HydrophobicContact CD2-CB 3.96Å; L81-L325 HydrophobicContact CD2-CD2 3.78Å; L81-L325 HydrophobicContact CD2-CG 3.67Å; L81-L325 HydrophobicContact CG-CD2 3.84Å; L81-L325 HydrophobicContact CG-CG 4.16Å; L81-L326 HydrophobicContact CD1-CD2 4.32Å; L81-L326 HydrophobicContact CD2-CD2 3.77Å; L81-L326 HydrophobicContact CD2-CG 3.81Å; L81-L329 HydrophobicContact CD1-CD1 3.92Å; L81-L329 HydrophobicContact CD2-CD1 4.31Å; L81-L329 HydrophobicContact CG-CD1 4.45Å
82I98.8Very high97.6Very high0 Ų039.5 Ų39.50%022%0.221CC..Hα-helixtrans-57.2-49.4174.7-72.3169000110.5I39 L43 L70 T74 Y78 E79 T84 L85 F86 L325I39-I82 HydrophobicContact CG2-CD1 3.95Å; L43-I82 HydrophobicContact CD1-CG1 4.03Å; L43-I82 HydrophobicContact CD1-CG2 4.04Å; L70-I82 HydrophobicContact CB-CG2 4Å; L70-I82 HydrophobicContact CD1-CG2 3.9Å; T74-I82 HydrophobicContact CG2-CD1 3.93Å; Y78-I82 HydrophobicContact CD1-CD1 3.87Å; Y78-I82 HydrophobicContact CE1-CD1 3.53Å; Y78-I82 HydrophobicContact CE2-CD1 4.24Å; Y78-I82 HydrophobicContact CG-CD1 4.35Å; Y78-I82 WeakPolarHBondContact O-CG1 3.46Å; Y78-I82 PolarHBondContact O-N 3.23Å; E79-I82 PolarHBondContact O-N 3.01Å; I82-T84 VanDerWaalsContact C-N 3.3Å; I82-T84 PolarHBondContact O-N 3.33Å; I82-L85 PolarHBondContact O-N 3.16Å; I82-F86 HydrophobicContact CG2-CE2 4.42Å; I82-F86 VanDerWaalsContact O-CD2 3.32Å; I82-F86 WeakPolarHBondContact O-CD2 3.46Å; I82-L325 HydrophobicContact CG1-CD2 4.06Å
83K98.6Very high97.8Very high60 Ų6036.5 Ų36.526%0.26120%0.198SC..Hα-helixtrans-57.9-43.9178-72.4176.2-176.91720111.7V67 C71 E79 S80 L81 L85 F86V67-K83 HydrophobicContact CG1-CG 4.04Å; C71-K83 WeakPolarHBondContact SG-CE 3.37Å; C71-K83 WeakPolarHBondContact SG-CG 3.29Å; E79-K83 WeakPolarHBondContact O-CG 3.27Å; E79-K83 PolarHBondContact O-N 3.27Å; E79-K83 WeakPolarHBondContact OE1-CE 3.5Å; E79-K83 IonicContact OE1-NZ 3.63Å; E79-K83 PolarHBondContact OE1-NZ 2.87Å; S80-K83 PolarHBondContact O-N 3.29Å; L81-K83 PolarHBondContact O-N 2.87Å; K83-L85 VanDerWaalsContact C-N 3.34Å; K83-L85 PolarHBondContact O-N 3.49Å; K83-F86 PolarHBondContact O-N 3.41Å
84T98.8Very high98.1Very high6 Ų635 Ų354%0.03719%0.188CC..Hα-helixtrans-65-36.3-178.8-58.30000112.1S80 L81 I82 F86 R87 I92 I284 C288S80-T84 PolarHBondContact O-N 3.42Å; S80-T84 PolarHBondContact O-OG1 3.04Å; L81-T84 PolarHBondContact O-N 3.27Å; I82-T84 VanDerWaalsContact C-N 3.3Å; I82-T84 PolarHBondContact O-N 3.33Å; T84-F86 PolarHBondContact O-N 2.96Å; T84-F86 VanDerWaalsContact O-N 3.14Å; T84-R87 WeakPolarHBondContact O-CB 3.28Å; T84-R87 PolarHBondContact O-N 3.42Å; T84-I92 HydrophobicContact CG2-CB 4.42Å; T84-I92 HydrophobicContact CG2-CD1 3.77Å; T84-I92 HydrophobicContact CG2-CG1 3.74Å; T84-I92 HydrophobicContact CG2-CG2 3.9Å; T84-I284 HydrophobicContact CG2-CG2 3.82Å; T84-C288 HydrophobicContact CG2-CB 3.73Å
85L98.8Very high98.2Very high1 Ų135 Ų351%0.00519%0.187CC..Hα-helixtrans-61.2-23176.9-74.2174.3000113.7L43 L48 R51 L81 I82 K83 L325 L329L43-L85 HydrophobicContact CB-CD1 4.17Å; L48-L85 WeakPolarHBondContact CD1-O 3.29Å; R51-L85 PolarHBondContact NE-O 3.13Å; R51-L85 PolarHBondContact NH2-O 3.26Å; L81-L85 HydrophobicContact CD1-CG 4.44Å; L81-L85 WeakPolarHBondContact O-CG 3.25Å; L81-L85 PolarHBondContact O-N 3.15Å; I82-L85 PolarHBondContact O-N 3.16Å; K83-L85 VanDerWaalsContact C-N 3.34Å; K83-L85 PolarHBondContact O-N 3.49Å; L85-L325 HydrophobicContact CD1-CD1 4.15Å; L85-L325 HydrophobicContact CD1-CD2 3.95Å; L85-L325 HydrophobicContact CD1-CG 4.31Å; L85-L329 HydrophobicContact CD1-CD1 4.32Å; L85-L329 HydrophobicContact CD1-CD2 4.39Å; L85-L329 HydrophobicContact CD2-CD1 3.86Å; L85-L329 HydrophobicContact CD2-CD2 3.71Å; L85-L329 HydrophobicContact CD2-CG 4.45Å; L85-L329 HydrophobicContact CG-CD1 4.48Å
86F98.7Very high98.4Very high8 Ų827 Ų274%0.03515%0.153CC..THydrogen-bonded Turntrans-96.120.1174.7-69.4-93.2000113.3L43 R51 Y52 R55 L66 V67 L70 I82 K83 T84L43-F86 HydrophobicContact CD1-CE2 4.08Å; L43-F86 HydrophobicContact CD2-CE2 3.87Å; L43-F86 HydrophobicContact CD2-CZ 3.68Å; R51-F86 HydrophobicContact CB-CD1 4.06Å; R51-F86 HydrophobicContact CB-CE1 3.8Å; R51-F86 HydrophobicContact CB-CZ 4.3Å; R51-F86 WeakPolarHBondContact O-CE1 3.31Å; Y52-F86 WeakPolarHBondContact CE1-O 3.46Å; Y52-F86 PolarHBondContact OH-O 2.99Å; R55-F86 HydrophobicContact CB-CD1 4.34Å; R55-F86 HydrophobicContact CB-CE1 4.07Å; L66-F86 HydrophobicContact CD2-CE1 3.9Å; L66-F86 HydrophobicContact CD2-CZ 3.76Å; L66-F86 HydrophobicContact CG-CZ 4.28Å; V67-F86 HydrophobicContact CG2-CB 3.7Å; V67-F86 HydrophobicContact CG2-CD1 3.92Å; V67-F86 HydrophobicContact CG2-CD2 3.69Å; V67-F86 HydrophobicContact CG2-CE1 4.43Å; V67-F86 HydrophobicContact CG2-CE2 4.25Å; V67-F86 HydrophobicContact CG2-CG 3.5Å; L70-F86 HydrophobicContact CD1-CE2 4Å; L70-F86 HydrophobicContact CD1-CZ 4.24Å; I82-F86 HydrophobicContact CG2-CE2 4.42Å; I82-F86 VanDerWaalsContact O-CD2 3.32Å; I82-F86 WeakPolarHBondContact O-CD2 3.46Å; K83-F86 PolarHBondContact O-N 3.41Å; T84-F86 PolarHBondContact O-N 2.96Å; T84-F86 VanDerWaalsContact O-N 3.14Å
87R98.5Very high98.4Very high58 Ų5824.9 Ų24.922%0.21913%0.131CC..SBendtrans-116.1141.3173.9-66.8-178.8-177.2-95.93.2110T84 Q91 I92 H95 E129T84-R87 WeakPolarHBondContact O-CB 3.28Å; T84-R87 PolarHBondContact O-N 3.42Å; R87-Q91 HydrophobicContact CB-CB 3.97Å; R87-Q91 HydrophobicContact CG-CB 4.36Å; R87-I92 HydrophobicContact CB-CG1 3.6Å; R87-H95 PolarHBondContact NH2-CE1 2.9Å; R87-H95 PolarHBondContact NH2-ND1 3.01Å; R87-H95 VanDerWaalsContact NH2-ND1 3.2Å; R87-E129 IonicContact CZ-OE2 3.22Å; R87-E129 IonicContact NH1-OE2 2.75Å; R87-E129 PolarHBondContact NH1-OE2 3.45Å; R87-E129 IonicContact NH2-OE1 2.71Å; R87-E129 IonicContact NH2-OE2 2.6Å
88G98.3Very high98.4Very high9 Ų926 Ų269%0.09313%0.131CC..  trans-72.3164.6166.400000111.2Y52 I90 Q91 I92Y52-G88 PolarHBondContact OH-N 3.08Å; G88-I90 PolarHBondContact O-N 3.42Å; G88-Q91 CarbonylContact O-C 3.46Å; G88-Q91 WeakPolarHBondContact O-CA 3.4Å; G88-Q91 WeakPolarHBondContact O-CB 3.39Å; G88-Q91 PolarHBondContact O-N 3.08Å; G88-I92 WeakPolarHBondContact O-CG1 3.32Å; G88-I92 PolarHBondContact O-N 2.68Å
89S98.4Very high98.3Very high70 Ų7031.2 Ų31.249%0.4915%0.154SC..Hα-helixtrans-52.6-48.7-171.4-49.90000113.5Q91 I92 L93S89-Q91 VanDerWaalsContact C-N 3.34Å; S89-Q91 PolarHBondContact O-N 2.77Å; S89-I92 WeakPolarHBondContact O-CB 3.49Å; S89-I92 PolarHBondContact O-N 3.2Å; S89-L93 WeakPolarHBondContact O-CG 2.88Å; S89-L93 PolarHBondContact O-N 3.37Å; S89-L93 VanDerWaalsContact O-N 3.16Å
90I98.5Very high98.1Very high30 Ų3029.3 Ų29.315%0.15415%0.146CC..Hα-helixtrans-66.3-35.7178.7-63.9-61.7000111.8G88 L93 A94 E118 M121 A125G88-I90 PolarHBondContact O-N 3.42Å; I90-L93 PolarHBondContact O-N 3.21Å; I90-A94 WeakPolarHBondContact O-CB 3.42Å; I90-A94 PolarHBondContact O-N 3.3Å; I90-E118 HydrophobicContact CD1-CB 4.37Å; I90-E118 HydrophobicContact CD1-CG 4.4Å; I90-M121 HydrophobicContact CD1-CB 4.1Å; I90-M121 HydrophobicContact CG1-CB 3.99Å; I90-M121 HydrophobicContact CG2-CB 3.97Å; I90-M121 WeakPolarHBondContact CG2-O 3.41Å; I90-A125 HydrophobicContact CG2-CB 3.62Å
91Q98.6Very high98Very high73 Ų7328.2 Ų28.234%0.34114%0.137SC..Hα-helixtrans-69.9-31.5176.8-71.872.528.300112.5R87 G88 S89 H95R87-Q91 HydrophobicContact CB-CB 3.97Å; R87-Q91 HydrophobicContact CG-CB 4.36Å; G88-Q91 CarbonylContact O-C 3.46Å; G88-Q91 WeakPolarHBondContact O-CA 3.4Å; G88-Q91 WeakPolarHBondContact O-CB 3.39Å; G88-Q91 PolarHBondContact O-N 3.08Å; S89-Q91 VanDerWaalsContact C-N 3.34Å; S89-Q91 PolarHBondContact O-N 2.77Å; Q91-H95 VanDerWaalsContact O-CB 3.24Å; Q91-H95 WeakPolarHBondContact O-CB 3.38Å; Q91-H95 PolarHBondContact O-N 3Å
92I98.8Very high97.8Very high4 Ų436 Ų362%0.02117%0.171CC..Hα-helixtrans-62.1-53.9171-64.8173.1000109T84 R87 G88 S89 A94 H95 D96 R285 C288 L289T84-I92 HydrophobicContact CG2-CB 4.42Å; T84-I92 HydrophobicContact CG2-CD1 3.77Å; T84-I92 HydrophobicContact CG2-CG1 3.74Å; T84-I92 HydrophobicContact CG2-CG2 3.9Å; R87-I92 HydrophobicContact CB-CG1 3.6Å; G88-I92 WeakPolarHBondContact O-CG1 3.32Å; G88-I92 PolarHBondContact O-N 2.68Å; S89-I92 WeakPolarHBondContact O-CB 3.49Å; S89-I92 PolarHBondContact O-N 3.2Å; I92-A94 VanDerWaalsContact C-N 3.33Å; I92-A94 PolarHBondContact O-N 3.01Å; I92-H95 PolarHBondContact O-N 3.48Å; I92-D96 PolarHBondContact O-N 2.68Å; I92-R285 HydrophobicContact CG2-CB 4.38Å; I92-R285 HydrophobicContact CG2-CG 3.97Å; I92-C288 HydrophobicContact CD1-CB 3.87Å; I92-L289 HydrophobicContact CB-CD2 4.33Å; I92-L289 HydrophobicContact CD1-CD2 4.14Å; I92-L289 HydrophobicContact CG2-CD2 4.47Å; I92-L289 HydrophobicContact CG2-CG 4.45Å
93L98.7Very high97.7Very high21 Ų2141.3 Ų41.311%0.1119%0.194CC..Hα-helixtrans-58.8-43.7-179.9-62.3-176.7000112.3S89 I90 L97 I110 L122 R285 L289S89-L93 WeakPolarHBondContact O-CG 2.88Å; S89-L93 PolarHBondContact O-N 3.37Å; S89-L93 VanDerWaalsContact O-N 3.16Å; I90-L93 PolarHBondContact O-N 3.21Å; L93-L97 WeakPolarHBondContact O-CB 3.41Å; L93-L97 PolarHBondContact O-N 3Å; L93-I110 HydrophobicContact CB-CG2 3.91Å; L93-I110 HydrophobicContact CD1-CG2 4.41Å; L93-I110 HydrophobicContact CD2-CD1 4.45Å; L93-I110 HydrophobicContact CD2-CG1 4.1Å; L93-I110 HydrophobicContact CD2-CG2 4.13Å; L93-I110 HydrophobicContact CG-CG2 4.36Å; L93-L122 HydrophobicContact CB-CD1 3.61Å; L93-R285 HydrophobicContact CD2-CG 4.36Å; L93-L289 HydrophobicContact CD2-CD1 3.75Å
94A98.5Very high97.7Very high1 Ų140.7 Ų40.71%0.00820%0.196CC..Hα-helixtrans-64.3-43.6178.400000112.4I90 I92 L97 Y98 L122 A125I90-A94 WeakPolarHBondContact O-CB 3.42Å; I90-A94 PolarHBondContact O-N 3.3Å; I92-A94 VanDerWaalsContact C-N 3.33Å; I92-A94 PolarHBondContact O-N 3.01Å; A94-L97 PolarHBondContact O-N 3.05Å; A94-Y98 WeakPolarHBondContact O-CB 3.22Å; A94-Y98 PolarHBondContact O-N 3.18Å; A94-L122 HydrophobicContact CB-CD1 4.12Å; A94-A125 HydrophobicContact CB-CB 3.62Å
95H98Very high97.5Very high13 Ų1343.9 Ų43.96%0.0621%0.213CC..Hα-helixtrans-63.9-43.4178.6-176.271.9000112R87 Q91 I92 Y98 K99 E129R87-H95 PolarHBondContact NH2-CE1 2.9Å; R87-H95 PolarHBondContact NH2-ND1 3.01Å; R87-H95 VanDerWaalsContact NH2-ND1 3.2Å; Q91-H95 VanDerWaalsContact O-CB 3.24Å; Q91-H95 WeakPolarHBondContact O-CB 3.38Å; Q91-H95 PolarHBondContact O-N 3Å; I92-H95 PolarHBondContact O-N 3.48Å; H95-Y98 WeakPolarHBondContact O-CB 3.23Å; H95-Y98 PolarHBondContact O-N 3.05Å; H95-K99 WeakPolarHBondContact CE1-CE 3.47Å; H95-K99 WeakPolarHBondContact NE2-CD 3.43Å; H95-K99 WeakPolarHBondContact NE2-CE 3.4Å; H95-K99 PolarHBondContact NE2-NZ 3.22Å; H95-K99 PolarHBondContact O-N 3.36Å; H95-E129 IonicContact CE1-OE1 2.93Å; H95-E129 PolarHBondContact CE1-OE1 3.45Å; H95-E129 IonicContact ND1-OE1 3.25Å; H95-E129 PolarHBondContact ND1-OE1 3.08Å; H95-E129 IonicContact ND1-OE2 3.72Å
96D98.2Very high97.4Very high12 Ų1244 Ų446%0.06421%0.214CC..Hα-helixtrans-67.7-40179.2-74.66.1000111.5I92 Y98 G100 I106 I110 R285I92-D96 PolarHBondContact O-N 2.68Å; D96-Y98 VanDerWaalsContact C-N 3.34Å; D96-G100 VanDerWaalsContact O-CA 3.22Å; D96-G100 WeakPolarHBondContact O-CA 3.28Å; D96-G100 PolarHBondContact O-N 2.91Å; D96-I106 HydrophobicContact CB-CG2 4.39Å; D96-I110 HydrophobicContact CB-CD1 3.76Å; D96-R285 WeakPolarHBondContact OD2-CB 3.23Å; D96-R285 VanDerWaalsContact OD2-CD 3.25Å; D96-R285 WeakPolarHBondContact OD2-CD 3.44Å; D96-R285 IonicContact OD2-CZ 3.52Å; D96-R285 IonicContact OD2-NE 3.73Å; D96-R285 IonicContact OD2-NH1 3.87Å; D96-R285 PolarHBondContact OD2-NH1 3.2Å
97L97.7Very high97.4Very high0 Ų043.7 Ų43.70%021%0.212CC..Hα-helixtrans-62-42170.2-80.4-179.1000111.8L93 A94 G100 L101 V107 I110 I111 L122 Y126 L135L93-L97 WeakPolarHBondContact O-CB 3.41Å; L93-L97 PolarHBondContact O-N 3Å; A94-L97 PolarHBondContact O-N 3.05Å; L97-G100 PolarHBondContact O-N 3.42Å; L97-L101 HydrophobicContact CD2-CD1 4.45Å; L97-L101 WeakPolarHBondContact O-CA 3.43Å; L97-L101 VanDerWaalsContact O-CB 3.26Å; L97-L101 WeakPolarHBondContact O-CB 3.35Å; L97-L101 PolarHBondContact O-N 3.48Å; L97-V107 HydrophobicContact CD2-CB 4.48Å; L97-V107 HydrophobicContact CD2-CG2 4.27Å; L97-I110 HydrophobicContact CD1-CB 4.38Å; L97-I110 HydrophobicContact CD1-CG2 3.7Å; L97-I110 HydrophobicContact CD2-CB 4.02Å; L97-I110 HydrophobicContact CD2-CD1 4.01Å; L97-I110 HydrophobicContact CD2-CG2 4.25Å; L97-I110 HydrophobicContact CG-CB 4.08Å; L97-I110 HydrophobicContact CG-CD1 3.75Å; L97-I110 HydrophobicContact CG-CG2 3.8Å; L97-I111 HydrophobicContact CD1-CD1 4.39Å; L97-I111 HydrophobicContact CD1-CG1 4Å; L97-I111 HydrophobicContact CD2-CD1 4.42Å; L97-I111 HydrophobicContact CD2-CG1 4.21Å; L97-L122 HydrophobicContact CD1-CD1 4.02Å; L97-L122 HydrophobicContact CD1-CD2 3.73Å; L97-L122 HydrophobicContact CD1-CG 4.06Å; L97-Y126 HydrophobicContact CB-CD2 3.92Å; L97-Y126 HydrophobicContact CB-CE2 3.87Å; L97-L135 HydrophobicContact CD1-CD1 4.03Å; L97-L135 HydrophobicContact CD1-CD2 3.96Å
98Y96.7Very high97.5Very high87 Ų8741 Ų4134%0.34120%0.202SC..Hα-helixtrans-62.4-47.2-178.4174.5-103000111.8A94 H95 D96 E129 A130A94-Y98 WeakPolarHBondContact O-CB 3.22Å; A94-Y98 PolarHBondContact O-N 3.18Å; H95-Y98 WeakPolarHBondContact O-CB 3.23Å; H95-Y98 PolarHBondContact O-N 3.05Å; D96-Y98 VanDerWaalsContact C-N 3.34Å; Y98-E129 HydrophobicContact CD1-CG 3.76Å; Y98-E129 HydrophobicContact CD2-CG 4.38Å; Y98-E129 HydrophobicContact CE1-CG 4.35Å; Y98-E129 HydrophobicContact CG-CG 3.79Å; Y98-A130 HydrophobicContact CD2-CB 3.81Å; Y98-A130 HydrophobicContact CE2-CB 3.76Å
99K95.8Very high97.5Very high123 Ų12341.7 Ų41.754%0.53520%0.203SC..Hα-helixtrans-74-34.9177-76-175.9165.9170.40113.1H95H95-K99 WeakPolarHBondContact CE1-CE 3.47Å; H95-K99 WeakPolarHBondContact NE2-CD 3.43Å; H95-K99 WeakPolarHBondContact NE2-CE 3.4Å; H95-K99 PolarHBondContact NE2-NZ 3.22Å; H95-K99 PolarHBondContact O-N 3.36Å
100G95.5Very high97.5Very high3 Ų338.4 Ų38.43%0.03118%0.18CC..Hα-helixtrans-102.48-167.800000115.3D96 L97 K102 K103D96-G100 VanDerWaalsContact O-CA 3.22Å; D96-G100 WeakPolarHBondContact O-CA 3.28Å; D96-G100 PolarHBondContact O-N 2.91Å; L97-G100 PolarHBondContact O-N 3.42Å; G100-K102 PolarHBondContact O-N 3.2Å; G100-K103 WeakPolarHBondContact O-CA 3.4Å; G100-K103 WeakPolarHBondContact O-CB 3.05Å; G100-K103 PolarHBondContact O-N 2.86Å
101L95.2Very high97.5Very high13 Ų1337 Ų377%0.06817%0.173CC..THydrogen-bonded Turntrans-58.1-28.1-169.3-154.374.3000114.6L97 K103 V107 Y126 L135 D138 I139 E142L97-L101 HydrophobicContact CD2-CD1 4.45Å; L97-L101 WeakPolarHBondContact O-CA 3.43Å; L97-L101 VanDerWaalsContact O-CB 3.26Å; L97-L101 WeakPolarHBondContact O-CB 3.35Å; L97-L101 PolarHBondContact O-N 3.48Å; L101-K103 VanDerWaalsContact C-N 3.31Å; L101-V107 HydrophobicContact CD1-CG2 4.37Å; L101-V107 WeakPolarHBondContact O-CG2 3.36Å; L101-Y126 HydrophobicContact CD1-CE2 4.34Å; L101-L135 HydrophobicContact CD1-CD1 3.98Å; L101-D138 HydrophobicContact CD2-CB 3.38Å; L101-I139 HydrophobicContact CD1-CD1 3.64Å; L101-I139 HydrophobicContact CD1-CG1 4.4Å; L101-I139 HydrophobicContact CG-CD1 4.13Å; L101-E142 HydrophobicContact CD2-CB 4.44Å; L101-E142 HydrophobicContact CD2-CG 4.08Å
102K95.4Very high97.5Very high165 Ų16533.9 Ų33.972%0.71716%0.159SC*.THydrogen-bonded Turntrans-80.9-8.4177.2-63.7-173.7179.1-173.60113.9G100 P104 E142G100-K102 PolarHBondContact O-N 3.2Å; K102-P104 WeakPolarHBondContact O-CD 3.35Å; K102-E142 WeakPolarHBondContact CE-OE2 3.4Å
103K96.3Very high97.5Very high110 Ų11035 Ų3548%0.47817%0.167SC..  trans-99.2103.1178.3-62.4179.2-177.6179.30108G100 L101 D105 I106 V107 D281G100-K103 WeakPolarHBondContact O-CA 3.4Å; G100-K103 WeakPolarHBondContact O-CB 3.05Å; G100-K103 PolarHBondContact O-N 2.86Å; L101-K103 VanDerWaalsContact C-N 3.31Å; K103-D105 PolarHBondContact O-N 3.45Å; K103-D105 VanDerWaalsContact O-N 3.11Å; K103-I106 HydrophobicContact CB-CB 4.42Å; K103-I106 HydrophobicContact CB-CD1 4.26Å; K103-I106 HydrophobicContact CB-CG1 4.21Å; K103-I106 HydrophobicContact CD-CD1 3.68Å; K103-I106 HydrophobicContact CD-CG1 4.37Å; K103-I106 PolarHBondContact O-N 3.46Å; K103-I106 VanDerWaalsContact O-N 3.07Å; K103-V107 PolarHBondContact O-N 3.27Å; K103-D281 IonicContact NZ-OD2 2.88Å; K103-D281 PolarHBondContact NZ-OD2 3.3Å
104P97.4Very high97.5Very high48 Ų4834.9 Ų34.931%0.31217%0.167SC..Hα-helixtrans-59.8-28.3-174.2-24.134.4000114K102 V107 N108 Y147 P246K102-P104 WeakPolarHBondContact O-CD 3.35Å; P104-V107 PolarHBondContact O-N 2.78Å; P104-N108 WeakPolarHBondContact O-CB 3.41Å; P104-N108 PolarHBondContact O-N 3.35Å; P104-N108 PolarHBondContact O-ND2 3.35Å; P104-Y147 HydrophobicContact CB-CE1 4.41Å; P104-Y147 PolarHBondContact O-OH 3.23Å; P104-P246 HydrophobicContact CB-CB 3.3Å; P104-P246 HydrophobicContact CB-CG 3.96Å; P104-P246 HydrophobicContact CG-CB 3.86Å; P104-P246 HydrophobicContact CG-CG 4.11Å
105D95.7Very high97.4Very high73 Ų7337.9 Ų37.939%0.3918%0.183SC..Hα-helixtrans-62.6-44.5176.4-59.7-22.5000111.7K103 V107 N108 E109 R279K103-D105 PolarHBondContact O-N 3.45Å; K103-D105 VanDerWaalsContact O-N 3.11Å; D105-V107 VanDerWaalsContact C-N 3.33Å; D105-V107 PolarHBondContact O-N 2.85Å; D105-N108 PolarHBondContact O-N 3.1Å; D105-E109 VanDerWaalsContact O-CB 3.29Å; D105-E109 WeakPolarHBondContact O-CB 3.49Å; D105-E109 WeakPolarHBondContact O-CG 3.09Å; D105-E109 PolarHBondContact O-N 3.33Å; D105-R279 VanDerWaalsContact CB-NH2 3.33Å; D105-R279 IonicContact OD2-CZ 2.9Å; D105-R279 IonicContact OD2-NH1 2.57Å; D105-R279 PolarHBondContact OD2-NH1 3.32Å
106I97.4Very high97.5Very high4 Ų438.4 Ų38.42%0.02119%0.187CC..Hα-helixtrans-64-42.2175.9-64-175.8000110.4D96 K103 N108 E109 I110 D281D96-I106 HydrophobicContact CB-CG2 4.39Å; K103-I106 HydrophobicContact CB-CB 4.42Å; K103-I106 HydrophobicContact CB-CD1 4.26Å; K103-I106 HydrophobicContact CB-CG1 4.21Å; K103-I106 HydrophobicContact CD-CD1 3.68Å; K103-I106 HydrophobicContact CD-CG1 4.37Å; K103-I106 PolarHBondContact O-N 3.46Å; K103-I106 VanDerWaalsContact O-N 3.07Å; I106-N108 VanDerWaalsContact C-N 3.34Å; I106-N108 PolarHBondContact O-N 2.81Å; I106-E109 PolarHBondContact O-N 3.07Å; I106-I110 HydrophobicContact CG2-CD1 3.72Å; I106-I110 WeakPolarHBondContact O-CB 3.31Å; I106-I110 VanDerWaalsContact O-CG1 3.29Å; I106-I110 WeakPolarHBondContact O-CG1 3.46Å; I106-I110 PolarHBondContact O-N 2.66Å; I106-D281 HydrophobicContact CD1-CB 4.13Å
107V98.7Very high97.5Very high1 Ų143.3 Ų43.31%0.00621%0.209CC..Hα-helixtrans-61.4-44.1178.1179.40000111L97 L101 K103 P104 D105 I111 I139 Y147 L151L97-V107 HydrophobicContact CD2-CB 4.48Å; L97-V107 HydrophobicContact CD2-CG2 4.27Å; L101-V107 HydrophobicContact CD1-CG2 4.37Å; L101-V107 WeakPolarHBondContact O-CG2 3.36Å; K103-V107 PolarHBondContact O-N 3.27Å; P104-V107 PolarHBondContact O-N 2.78Å; D105-V107 VanDerWaalsContact C-N 3.33Å; D105-V107 PolarHBondContact O-N 2.85Å; V107-I111 HydrophobicContact CG1-CD1 3.81Å; V107-I111 HydrophobicContact CG1-CG1 4.37Å; V107-I111 WeakPolarHBondContact O-CB 3.14Å; V107-I111 PolarHBondContact O-N 3.11Å; V107-I139 HydrophobicContact CG1-CD1 3.98Å; V107-Y147 WeakPolarHBondContact CG1-OH 3.48Å; V107-L151 HydrophobicContact CG1-CD1 3.57Å; V107-L151 HydrophobicContact CG1-CD2 3.95Å; V107-L151 HydrophobicContact CG1-CG 4.43Å
108N98.8Very high97.5Very high2 Ų246.6 Ų46.61%0.01122%0.224CC..Hα-helixtrans-66.8-49.1178-71-14.1000111.8P104 D105 I106 I110 C112 Y147 P246 S249 G250P104-N108 WeakPolarHBondContact O-CB 3.41Å; P104-N108 PolarHBondContact O-N 3.35Å; P104-N108 PolarHBondContact O-ND2 3.35Å; D105-N108 PolarHBondContact O-N 3.1Å; I106-N108 VanDerWaalsContact C-N 3.34Å; I106-N108 PolarHBondContact O-N 2.81Å; N108-I110 PolarHBondContact O-N 2.74Å; N108-I110 VanDerWaalsContact O-N 3.09Å; N108-C112 WeakPolarHBondContact O-CB 3.36Å; N108-C112 PolarHBondContact O-N 3.02Å; N108-C112 VanDerWaalsContact O-N 3.16Å; N108-Y147 WeakPolarHBondContact OD1-CE2 3.46Å; N108-Y147 VanDerWaalsContact OD1-CZ 3.29Å; N108-Y147 PolarHBondContact OD1-OH 2.82Å; N108-P246 PolarHBondContact ND2-O 3.3Å; N108-S249 WeakPolarHBondContact ND2-CB 3.08Å; N108-S249 PolarHBondContact ND2-OG 2.92Å; N108-G250 PolarHBondContact ND2-N 3.48Å; N108-G250 VanDerWaalsContact ND2-N 3.17Å; N108-G250 WeakPolarHBondContact OD1-CA 3.47Å
109E98.3Very high97.6Very high22 Ų2242.6 Ų42.610%0.10321%0.209CC..Hα-helixtrans-58.8-24.6-179.4-72.3172-155.600113D105 I106 C113 Q268 R279 T282 R285D105-E109 VanDerWaalsContact O-CB 3.29Å; D105-E109 WeakPolarHBondContact O-CB 3.49Å; D105-E109 WeakPolarHBondContact O-CG 3.09Å; D105-E109 PolarHBondContact O-N 3.33Å; I106-E109 PolarHBondContact O-N 3.07Å; E109-C113 PolarHBondContact O-SG 3.41Å; E109-Q268 HydrophobicContact CG-CG 4.38Å; E109-R279 IonicContact OE1-CZ 2.68Å; E109-R279 IonicContact OE1-NH1 2.7Å; E109-R279 IonicContact OE1-NH2 2.74Å; E109-R279 PolarHBondContact OE1-NH2 2.92Å; E109-R279 IonicContact OE2-NH2 3.15Å; E109-T282 WeakPolarHBondContact OE2-CG2 3.31Å; E109-T282 PolarHBondContact OE2-OG1 3.28Å; E109-R285 IonicContact OE2-CZ 3.9Å; E109-R285 IonicContact OE2-NH2 2.9Å; E109-R285 PolarHBondContact OE2-NH2 2.71Å
110I98.8Very high97.7Very high2 Ų241.8 Ų41.81%0.0121%0.208CC..Hα-helixtrans-100.5-65.7-179.8-59.1174.6000111.4L93 D96 L97 I106 N108 C112 C113 C114 L122L93-I110 HydrophobicContact CB-CG2 3.91Å; L93-I110 HydrophobicContact CD1-CG2 4.41Å; L93-I110 HydrophobicContact CD2-CD1 4.45Å; L93-I110 HydrophobicContact CD2-CG1 4.1Å; L93-I110 HydrophobicContact CD2-CG2 4.13Å; L93-I110 HydrophobicContact CG-CG2 4.36Å; D96-I110 HydrophobicContact CB-CD1 3.76Å; L97-I110 HydrophobicContact CD1-CB 4.38Å; L97-I110 HydrophobicContact CD1-CG2 3.7Å; L97-I110 HydrophobicContact CD2-CB 4.02Å; L97-I110 HydrophobicContact CD2-CD1 4.01Å; L97-I110 HydrophobicContact CD2-CG2 4.25Å; L97-I110 HydrophobicContact CG-CB 4.08Å; L97-I110 HydrophobicContact CG-CD1 3.75Å; L97-I110 HydrophobicContact CG-CG2 3.8Å; I106-I110 HydrophobicContact CG2-CD1 3.72Å; I106-I110 WeakPolarHBondContact O-CB 3.31Å; I106-I110 VanDerWaalsContact O-CG1 3.29Å; I106-I110 WeakPolarHBondContact O-CG1 3.46Å; I106-I110 PolarHBondContact O-N 2.66Å; N108-I110 PolarHBondContact O-N 2.74Å; N108-I110 VanDerWaalsContact O-N 3.09Å; I110-C112 PolarHBondContact O-N 3.08Å; I110-C113 PolarHBondContact O-N 2.82Å; I110-C114 PolarHBondContact O-N 3.03Å; I110-C114 PolarHBondContact O-SG 3.27Å; I110-C114 VanDerWaalsContact O-SG 3.35Å; I110-L122 HydrophobicContact CG2-CD1 4.42Å; I110-L122 HydrophobicContact CG2-CD2 3.9Å
111I98.8Very high97.9Very high0 Ų045.4 Ų45.40%023%0.225CC..Hα-helixtrans-65.8-38.2-170.9-61.4-176.9000111.5L97 V107 C113 I119 L135 I139 L151 L154 L155L97-I111 HydrophobicContact CD1-CD1 4.39Å; L97-I111 HydrophobicContact CD1-CG1 4Å; L97-I111 HydrophobicContact CD2-CD1 4.42Å; L97-I111 HydrophobicContact CD2-CG1 4.21Å; V107-I111 HydrophobicContact CG1-CD1 3.81Å; V107-I111 HydrophobicContact CG1-CG1 4.37Å; V107-I111 WeakPolarHBondContact O-CB 3.14Å; V107-I111 PolarHBondContact O-N 3.11Å; I111-C113 PolarHBondContact O-N 2.87Å; I111-I119 HydrophobicContact CG2-CD1 4.22Å; I111-L135 HydrophobicContact CD1-CD1 4.42Å; I111-L135 HydrophobicContact CD1-CD2 4.46Å; I111-I139 HydrophobicContact CD1-CD1 4.07Å; I111-I139 HydrophobicContact CD1-CG1 4.21Å; I111-L151 HydrophobicContact CB-CD2 4.28Å; I111-L151 HydrophobicContact CD1-CD2 4.43Å; I111-L151 HydrophobicContact CG2-CD2 4.07Å; I111-L154 HydrophobicContact CG2-CB 4.06Å; I111-L154 HydrophobicContact CG2-CD1 4.17Å; I111-L155 HydrophobicContact CD1-CD1 4.47Å; I111-L155 HydrophobicContact CD1-CD2 4.34Å; I111-L155 HydrophobicContact CG2-CD2 4.34Å; I111-L155 HydrophobicContact CG2-CG 4.43Å
112C98.7Very high98.1Very high7 Ų744.8 Ų44.85%0.04722%0.222CC..THydrogen-bonded Turntrans-75.5-11.2-177.1-59.40000113.2N108 I110 L154 G250 T253 M254N108-C112 WeakPolarHBondContact O-CB 3.36Å; N108-C112 PolarHBondContact O-N 3.02Å; N108-C112 VanDerWaalsContact O-N 3.16Å; I110-C112 PolarHBondContact O-N 3.08Å; C112-L154 HydrophobicContact CB-CD1 4.48Å; C112-G250 PolarHBondContact SG-O 3.44Å; C112-T253 HydrophobicContact CB-CG2 4.05Å; C112-M254 HydrophobicContact CB-CB 4Å; C112-M254 WeakPolarHBondContact O-CA 3.29Å
113C98.5Very high98.2Very high28 Ų2839.5 Ų39.519%0.18920%0.199CC..THydrogen-bonded Turntrans-102.3-14.2-177.9-61.40000113.6E109 I110 I111 A257 L261E109-C113 PolarHBondContact O-SG 3.41Å; I110-C113 PolarHBondContact O-N 2.82Å; I111-C113 PolarHBondContact O-N 2.87Å; C113-A257 HydrophobicContact CB-CB 4.27Å; C113-L261 HydrophobicContact CB-CD1 4.35Å
114C98.5Very high98.3Very high18 Ų1840.3 Ų40.312%0.12220%0.203CC..  trans-81.1142.6-176.8-73.80000113.1I110 E118 I119I110-C114 PolarHBondContact O-N 3.03Å; I110-C114 PolarHBondContact O-SG 3.27Å; I110-C114 VanDerWaalsContact O-SG 3.35Å; C114-E118 WeakPolarHBondContact CA-OE2 3.4Å; C114-E118 HydrophobicContact CB-CB 3.8Å; C114-I119 HydrophobicContact CB-CD1 3.51Å; C114-I119 HydrophobicContact CB-CG1 3.69Å
115N97.6Very high98.3Very high64 Ų6438.3 Ų38.334%0.34219%0.19SC..  trans-79.5176.8166.771.145.5000112H117 E118 I119 E161N115-H117 VanDerWaalsContact C-N 3.34Å; N115-H117 PolarHBondContact O-N 3.45Å; N115-H117 WeakPolarHBondContact OD1-CA 3.39Å; N115-H117 WeakPolarHBondContact OD1-CB 3.3Å; N115-H117 PolarHBondContact OD1-N 2.62Å; N115-E118 PolarHBondContact N-OE2 2.9Å; N115-E118 VanDerWaalsContact ND2-CD 3.28Å; N115-E118 PolarHBondContact ND2-OE2 2.95Å; N115-E118 PolarHBondContact O-N 3.45Å; N115-E118 WeakPolarHBondContact OD1-CG 3.47Å; N115-E118 PolarHBondContact OD1-N 3.17Å; N115-I119 WeakPolarHBondContact O-CG1 3.27Å; N115-I119 PolarHBondContact O-N 3.09Å; N115-E161 WeakPolarHBondContact CB-OE1 3.35Å
116N98.6Very high98.4Very high25 Ų2534.9 Ų34.913%0.13417%0.172CC..Hα-helixtrans-59.4-44.6-176.2-68.6-33.1000112.3I119 M120 A157 R158 R159 E161N116-I119 PolarHBondContact O-N 3.43Å; N116-M120 WeakPolarHBondContact O-CG 3.28Å; N116-M120 PolarHBondContact O-N 3.08Å; N116-M120 VanDerWaalsContact O-N 3.08Å; N116-A157 HydrophobicContact CB-CB 4.1Å; N116-A157 WeakPolarHBondContact OD1-CA 3.49Å; N116-A157 PolarHBondContact OD1-O 3.32Å; N116-R158 PolarHBondContact OD1-N 3.33Å; N116-R159 PolarHBondContact ND2-O 3.35Å; N116-R159 PolarHBondContact OD1-N 2.76Å; N116-E161 WeakPolarHBondContact CB-OE1 3.36Å; N116-E161 PolarHBondContact N-OE1 3.34Å; N116-E161 PolarHBondContact ND2-OE1 3.41Å; N116-E161 PolarHBondContact ND2-OE2 3.08Å
117H98.3Very high98.4Very high115 Ų11539.1 Ų39.153%0.53219%0.191SC..Hα-helixtrans-63.7-45.7179.2-179.175.6000112N115 I119 M120 M121N115-H117 VanDerWaalsContact C-N 3.34Å; N115-H117 PolarHBondContact O-N 3.45Å; N115-H117 WeakPolarHBondContact OD1-CA 3.39Å; N115-H117 WeakPolarHBondContact OD1-CB 3.3Å; N115-H117 PolarHBondContact OD1-N 2.62Å; H117-I119 VanDerWaalsContact C-N 3.34Å; H117-I119 PolarHBondContact O-N 2.7Å; H117-M120 HydrophobicContact CB-CE 4.4Å; H117-M120 PolarHBondContact O-N 2.79Å; H117-M121 WeakPolarHBondContact O-CG 3.31Å; H117-M121 PolarHBondContact O-N 3.08Å
118E98.7Very high98.3Very high69 Ų6944.9 Ų44.932%0.32222%0.218SC..Hα-helixtrans-60.9-42.1176.4-70.8171.5151.900111.5I90 C114 N115 M120 M121 L122I90-E118 HydrophobicContact CD1-CB 4.37Å; I90-E118 HydrophobicContact CD1-CG 4.4Å; C114-E118 WeakPolarHBondContact CA-OE2 3.4Å; C114-E118 HydrophobicContact CB-CB 3.8Å; N115-E118 PolarHBondContact N-OE2 2.9Å; N115-E118 VanDerWaalsContact ND2-CD 3.28Å; N115-E118 PolarHBondContact ND2-OE2 2.95Å; N115-E118 PolarHBondContact O-N 3.45Å; N115-E118 WeakPolarHBondContact OD1-CG 3.47Å; N115-E118 PolarHBondContact OD1-N 3.17Å; E118-M120 PolarHBondContact O-N 3.15Å; E118-M121 PolarHBondContact O-N 3.43Å; E118-L122 WeakPolarHBondContact O-CB 3.42Å; E118-L122 PolarHBondContact O-N 3.32Å
119I98.8Very high97.9Very high3 Ų347.8 Ų47.82%0.01523%0.232CC..Hα-helixtrans-60-43.4174.8-70.4-64.9000111.4I111 C114 N115 N116 H117 M121 L122 K123 L155 A157I111-I119 HydrophobicContact CG2-CD1 4.22Å; C114-I119 HydrophobicContact CB-CD1 3.51Å; C114-I119 HydrophobicContact CB-CG1 3.69Å; N115-I119 WeakPolarHBondContact O-CG1 3.27Å; N115-I119 PolarHBondContact O-N 3.09Å; N116-I119 PolarHBondContact O-N 3.43Å; H117-I119 VanDerWaalsContact C-N 3.34Å; H117-I119 PolarHBondContact O-N 2.7Å; I119-M121 PolarHBondContact O-N 3.2Å; I119-L122 HydrophobicContact CD1-CD2 4.37Å; I119-L122 PolarHBondContact O-N 2.68Å; I119-K123 HydrophobicContact CG2-CD 3.92Å; I119-K123 WeakPolarHBondContact O-CB 3.16Å; I119-K123 VanDerWaalsContact O-CG 3.29Å; I119-K123 WeakPolarHBondContact O-CG 3.49Å; I119-K123 PolarHBondContact O-N 3.48Å; I119-L155 HydrophobicContact CD1-CD2 4.3Å; I119-L155 HydrophobicContact CG2-CD2 4.15Å; I119-A157 HydrophobicContact CB-CB 4.14Å; I119-A157 HydrophobicContact CG2-CB 3.85Å
120M98.7Very high97.5Very high106 Ų10647.1 Ų47.152%0.52223%0.23SC..Hα-helixtrans-61.4-45.4176.9-67.6-170.6-62.800111.7N116 H117 E118 K124 A157N116-M120 WeakPolarHBondContact O-CG 3.28Å; N116-M120 PolarHBondContact O-N 3.08Å; N116-M120 VanDerWaalsContact O-N 3.08Å; H117-M120 HydrophobicContact CB-CE 4.4Å; H117-M120 PolarHBondContact O-N 2.79Å; E118-M120 PolarHBondContact O-N 3.15Å; M120-K124 PolarHBondContact O-N 2.99Å; M120-A157 HydrophobicContact CG-CB 4.08Å
121M98.8Very high96.9Very high78 Ų7851.5 Ų51.538%0.38426%0.261SS..Hα-helixtrans-67.9-39.6179.3-65.8-58.2-66.700111.8I90 H117 E118 I119 K124 A125I90-M121 HydrophobicContact CD1-CB 4.1Å; I90-M121 HydrophobicContact CG1-CB 3.99Å; I90-M121 HydrophobicContact CG2-CB 3.97Å; I90-M121 WeakPolarHBondContact CG2-O 3.41Å; H117-M121 WeakPolarHBondContact O-CG 3.31Å; H117-M121 PolarHBondContact O-N 3.08Å; E118-M121 PolarHBondContact O-N 3.43Å; I119-M121 PolarHBondContact O-N 3.2Å; M121-K124 PolarHBondContact O-N 3.42Å; M121-A125 PolarHBondContact O-N 3.31Å
122L98.7Very high96.4Very high0 Ų060.4 Ų60.40%030%0.303CS..Hα-helixtrans-61.4-45.2177.3-178.163.4000111.6L93 A94 L97 I110 E118 I119 K124 A125 Y126 L135L93-L122 HydrophobicContact CB-CD1 3.61Å; A94-L122 HydrophobicContact CB-CD1 4.12Å; L97-L122 HydrophobicContact CD1-CD1 4.02Å; L97-L122 HydrophobicContact CD1-CD2 3.73Å; L97-L122 HydrophobicContact CD1-CG 4.06Å; I110-L122 HydrophobicContact CG2-CD1 4.42Å; I110-L122 HydrophobicContact CG2-CD2 3.9Å; E118-L122 WeakPolarHBondContact O-CB 3.42Å; E118-L122 PolarHBondContact O-N 3.32Å; I119-L122 HydrophobicContact CD1-CD2 4.37Å; I119-L122 PolarHBondContact O-N 2.68Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 3.5Å; L122-A125 PolarHBondContact O-N 3.43Å; L122-Y126 VanDerWaalsContact O-CB 3.28Å; L122-Y126 WeakPolarHBondContact O-CB 3.46Å; L122-Y126 PolarHBondContact O-N 2.85Å; L122-L135 HydrophobicContact CD2-CD2 4.24Å; L122-L135 HydrophobicContact CG-CD2 4.18Å
123K98.5Very high96.2Very high54 Ų5464.4 Ų64.424%0.23532%0.317CS..Hα-helixtrans-58.4-44.7176.3-76.5165.347.7156.90111.9I119 Q127 L135 E136 L155I119-K123 HydrophobicContact CG2-CD 3.92Å; I119-K123 WeakPolarHBondContact O-CB 3.16Å; I119-K123 VanDerWaalsContact O-CG 3.29Å; I119-K123 WeakPolarHBondContact O-CG 3.49Å; I119-K123 PolarHBondContact O-N 3.48Å; K123-Q127 PolarHBondContact O-N 2.88Å; K123-Q127 VanDerWaalsContact O-N 3.14Å; K123-L135 HydrophobicContact CG-CB 4.46Å; K123-L135 HydrophobicContact CG-CD2 4.28Å; K123-E136 WeakPolarHBondContact CE-OE1 3.32Å; K123-E136 IonicContact NZ-OE1 2.74Å; K123-E136 PolarHBondContact NZ-OE1 3.18Å; K123-L155 HydrophobicContact CD-CD2 4.42Å; K123-L155 HydrophobicContact CG-CD2 4.35Å; K123-L155 PolarHBondContact NZ-O 2.99Å
124K97.8Very high96.1Very high128 Ų12865.3 Ų65.356%0.55732%0.321SS*.Hα-helixtrans-62.6-50.8176.7-176.1-178.4175.3-175.10111.4M120 M121 L122 Y126 Q127 E128M120-K124 PolarHBondContact O-N 2.99Å; M121-K124 PolarHBondContact O-N 3.42Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 3.5Å; K124-Y126 VanDerWaalsContact C-N 3.32Å; K124-Y126 PolarHBondContact O-N 3.37Å; K124-Q127 PolarHBondContact O-N 3.49Å; K124-E128 WeakPolarHBondContact CE-OE1 3.28Å; K124-E128 WeakPolarHBondContact O-CG 2.97Å; K124-E128 PolarHBondContact O-N 3.41Å; K124-E128 VanDerWaalsContact O-N 3.12Å
125A98.2Very high96.1Very high6 Ų664.5 Ų64.55%0.0532%0.316CS..Hα-helixtrans-65.2-34.2-179.300000112.8I90 A94 M121 L122 E128 E129I90-A125 HydrophobicContact CG2-CB 3.62Å; A94-A125 HydrophobicContact CB-CB 3.62Å; M121-A125 PolarHBondContact O-N 3.31Å; L122-A125 PolarHBondContact O-N 3.43Å; A125-E128 PolarHBondContact O-N 3.27Å; A125-E129 PolarHBondContact O-N 3.2Å
126Y98.4Very high96.1Very high1 Ų163.5 Ų63.50%0.00431%0.309CS..Hα-helixtrans-63.1-43.9174.3-172.6-83.1000111.4L97 L101 L122 K124 E128 E129 A130 L135 D138L97-Y126 HydrophobicContact CB-CD2 3.92Å; L97-Y126 HydrophobicContact CB-CE2 3.87Å; L101-Y126 HydrophobicContact CD1-CE2 4.34Å; L122-Y126 VanDerWaalsContact O-CB 3.28Å; L122-Y126 WeakPolarHBondContact O-CB 3.46Å; L122-Y126 PolarHBondContact O-N 2.85Å; K124-Y126 VanDerWaalsContact C-N 3.32Å; K124-Y126 PolarHBondContact O-N 3.37Å; Y126-E128 VanDerWaalsContact C-N 3.31Å; Y126-E128 PolarHBondContact O-N 3.01Å; Y126-E129 PolarHBondContact O-N 3.41Å; Y126-A130 HydrophobicContact CD1-CB 4.06Å; Y126-A130 HydrophobicContact CE1-CB 3.78Å; Y126-A130 WeakPolarHBondContact O-CB 3.41Å; Y126-A130 PolarHBondContact O-N 3.34Å; Y126-L135 HydrophobicContact CD1-CB 3.84Å; Y126-L135 HydrophobicContact CD2-CB 4.4Å; Y126-L135 HydrophobicContact CD2-CD1 3.85Å; Y126-L135 HydrophobicContact CE1-CB 4.35Å; Y126-L135 HydrophobicContact CE2-CD1 3.81Å; Y126-L135 HydrophobicContact CG-CB 3.87Å; Y126-L135 HydrophobicContact CG-CD1 4.2Å; Y126-L135 HydrophobicContact CG-CG 4.48Å; Y126-D138 WeakPolarHBondContact CE1-OD2 3.34Å; Y126-D138 PolarHBondContact OH-OD2 3.03Å
127Q96.8Very high96Very high93 Ų9364.9 Ų64.944%0.43532%0.32SS..Hα-helixtrans-65.4-35.1178.4-170.4173.29.700112.2K123 K124 E129 A130 S131K123-Q127 PolarHBondContact O-N 2.88Å; K123-Q127 VanDerWaalsContact O-N 3.14Å; K124-Q127 PolarHBondContact O-N 3.49Å; Q127-E129 VanDerWaalsContact C-N 3.32Å; Q127-E129 PolarHBondContact O-N 3.23Å; Q127-A130 PolarHBondContact O-N 3.1Å; Q127-S131 WeakPolarHBondContact O-CA 3.39Å; Q127-S131 PolarHBondContact O-N 3.38Å
128E95.3Very high96Very high122 Ų12259.6 Ų59.657%0.5730%0.296SS*.Hα-helixtrans-61-39.1172.7-70.1169.6-174.200111.9K124 A125 Y126K124-E128 WeakPolarHBondContact CE-OE1 3.28Å; K124-E128 WeakPolarHBondContact O-CG 2.97Å; K124-E128 PolarHBondContact O-N 3.41Å; K124-E128 VanDerWaalsContact O-N 3.12Å; A125-E128 PolarHBondContact O-N 3.27Å; Y126-E128 VanDerWaalsContact C-N 3.31Å; Y126-E128 PolarHBondContact O-N 3.01Å
129E91.1Very high96Very high62 Ų6256.3 Ų56.329%0.2928%0.281SS..Hα-helixtrans-76.7-38.1176.8-167.885.6-169.400112.1R87 H95 Y98 A125 Y126 Q127R87-E129 IonicContact CZ-OE2 3.22Å; R87-E129 IonicContact NH1-OE2 2.75Å; R87-E129 PolarHBondContact NH1-OE2 3.45Å; R87-E129 IonicContact NH2-OE1 2.71Å; R87-E129 IonicContact NH2-OE2 2.6Å; H95-E129 IonicContact CE1-OE1 2.93Å; H95-E129 PolarHBondContact CE1-OE1 3.45Å; H95-E129 IonicContact ND1-OE1 3.25Å; H95-E129 PolarHBondContact ND1-OE1 3.08Å; H95-E129 IonicContact ND1-OE2 3.72Å; Y98-E129 HydrophobicContact CD1-CG 3.76Å; Y98-E129 HydrophobicContact CD2-CG 4.38Å; Y98-E129 HydrophobicContact CE1-CG 4.35Å; Y98-E129 HydrophobicContact CG-CG 3.79Å; A125-E129 PolarHBondContact O-N 3.2Å; Y126-E129 PolarHBondContact O-N 3.41Å; Q127-E129 VanDerWaalsContact C-N 3.32Å; Q127-E129 PolarHBondContact O-N 3.23Å
130A90.1Very high96Very high9 Ų960.2 Ų60.27%0.07430%0.301CS..Hα-helixtrans-91.10.2-174.800000114.8Y98 Y126 Q127 Q132 R133Y98-A130 HydrophobicContact CD2-CB 3.81Å; Y98-A130 HydrophobicContact CE2-CB 3.76Å; Y126-A130 HydrophobicContact CD1-CB 4.06Å; Y126-A130 HydrophobicContact CE1-CB 3.78Å; Y126-A130 WeakPolarHBondContact O-CB 3.41Å; Y126-A130 PolarHBondContact O-N 3.34Å; Q127-A130 PolarHBondContact O-N 3.1Å; A130-Q132 PolarHBondContact O-N 2.91Å; A130-R133 HydrophobicContact CB-CB 4.09Å; A130-R133 PolarHBondContact O-N 3.31Å
131S86.9Confident95.9Very high94 Ų9462.2 Ų62.266%0.65731%0.307SS*.THydrogen-bonded Turntrans59.8-82.9-176.4-55.80000114.3Q127Q127-S131 WeakPolarHBondContact O-CA 3.39Å; Q127-S131 PolarHBondContact O-N 3.38Å
132Q88.1Confident95.8Very high187 Ų18761.8 Ų61.887%0.87430%0.304SS*.THydrogen-bonded Turntrans-103.2-9.3-173.4-68.4-173.9-2600113.8A130A130-Q132 PolarHBondContact O-N 2.91Å
133R93.3Very high95.7Very high91 Ų9162.7 Ų62.734%0.34331%0.309SS..  trans-93.4146.7-179.4-54.8-173-65.7143-4.9110.7A130 D138A130-R133 HydrophobicContact CB-CB 4.09Å; A130-R133 PolarHBondContact O-N 3.31Å; R133-D138 VanDerWaalsContact CB-OD2 3.32Å; R133-D138 WeakPolarHBondContact CB-OD2 3.18Å; R133-D138 WeakPolarHBondContact CD-OD1 3.4Å; R133-D138 IonicContact CZ-OD1 3.6Å; R133-D138 IonicContact CZ-OD2 3.31Å; R133-D138 IonicContact NE-OD1 3.78Å; R133-D138 IonicContact NE-OD2 3.02Å; R133-D138 IonicContact NH1-OD1 2.8Å; R133-D138 PolarHBondContact NH1-OD1 2.88Å; R133-D138 IonicContact NH1-OD2 2.61Å; R133-D138 PolarHBondContact NH1-OD2 2.85Å; R133-D138 IonicContact NH2-OD2 3.25Å
134T96.7Very high95.7Very high47 Ų4768.2 Ų68.229%0.28833%0.333SS..  trans-103.4152.7174.266.10000109.9E136 S137 D138T134-E136 PolarHBondContact O-N 3.36Å; T134-S137 PolarHBondContact N-OG 3.47Å; T134-S137 VanDerWaalsContact N-OG 3.11Å; T134-S137 PolarHBondContact O-N 3.45Å; T134-S137 PolarHBondContact O-OG 2.87Å; T134-S137 VanDerWaalsContact OG1-CB 3.27Å; T134-S137 WeakPolarHBondContact OG1-CB 3.4Å; T134-S137 PolarHBondContact OG1-N 2.98Å; T134-S137 VanDerWaalsContact OG1-N 3.08Å; T134-S137 PolarHBondContact OG1-OG 2.95Å; T134-D138 PolarHBondContact O-N 3Å
135L98.2Very high95.7Very high0 Ų065.8 Ų65.80%033%0.331CS..Hα-helixtrans-57.3-42.4176.3178.555.1000110.5L97 L101 I111 L122 K123 Y126 D138 I139 L155L97-L135 HydrophobicContact CD1-CD1 4.03Å; L97-L135 HydrophobicContact CD1-CD2 3.96Å; L101-L135 HydrophobicContact CD1-CD1 3.98Å; I111-L135 HydrophobicContact CD1-CD1 4.42Å; I111-L135 HydrophobicContact CD1-CD2 4.46Å; L122-L135 HydrophobicContact CD2-CD2 4.24Å; L122-L135 HydrophobicContact CG-CD2 4.18Å; K123-L135 HydrophobicContact CG-CB 4.46Å; K123-L135 HydrophobicContact CG-CD2 4.28Å; Y126-L135 HydrophobicContact CD1-CB 3.84Å; Y126-L135 HydrophobicContact CD2-CB 4.4Å; Y126-L135 HydrophobicContact CD2-CD1 3.85Å; Y126-L135 HydrophobicContact CE1-CB 4.35Å; Y126-L135 HydrophobicContact CE2-CD1 3.81Å; Y126-L135 HydrophobicContact CG-CB 3.87Å; Y126-L135 HydrophobicContact CG-CD1 4.2Å; Y126-L135 HydrophobicContact CG-CG 4.48Å; L135-D138 PolarHBondContact O-N 2.9Å; L135-I139 HydrophobicContact CD1-CD1 4.48Å; L135-I139 HydrophobicContact CD1-CG1 3.98Å; L135-I139 HydrophobicContact CG-CG1 4.44Å; L135-I139 WeakPolarHBondContact O-CB 3.31Å; L135-I139 VanDerWaalsContact O-CG1 3.28Å; L135-I139 WeakPolarHBondContact O-CG1 3.29Å; L135-I139 PolarHBondContact O-N 2.91Å; L135-L155 HydrophobicContact CD2-CD2 3.6Å; L135-L155 HydrophobicContact CG-CD1 4.19Å; L135-L155 HydrophobicContact CG-CD2 4.07Å
136E97.9Very high95.7Very high44 Ų4467.6 Ų67.621%0.20634%0.342CS..Hα-helixtrans-62.1-48.5177.9-62.695.7128.100112.7K123 T134 D138 I139 I140 L155K123-E136 WeakPolarHBondContact CE-OE1 3.32Å; K123-E136 IonicContact NZ-OE1 2.74Å; K123-E136 PolarHBondContact NZ-OE1 3.18Å; T134-E136 PolarHBondContact O-N 3.36Å; E136-D138 VanDerWaalsContact C-N 3.28Å; E136-D138 PolarHBondContact O-N 2.88Å; E136-I139 PolarHBondContact O-N 2.91Å; E136-I140 VanDerWaalsContact O-CG1 3.31Å; E136-I140 WeakPolarHBondContact O-CG1 3.5Å; E136-I140 PolarHBondContact O-N 3.26Å; E136-L155 HydrophobicContact CG-CB 4.17Å; E136-L155 HydrophobicContact CG-CD1 4.08Å
137S97.3Very high95.8Very high53 Ų5368 Ų6837%0.37134%0.344SS..Hα-helixtrans-62.6-38.6-179.9590000112T134 K141T134-S137 PolarHBondContact N-OG 3.47Å; T134-S137 VanDerWaalsContact N-OG 3.11Å; T134-S137 PolarHBondContact O-N 3.45Å; T134-S137 PolarHBondContact O-OG 2.87Å; T134-S137 VanDerWaalsContact OG1-CB 3.27Å; T134-S137 WeakPolarHBondContact OG1-CB 3.4Å; T134-S137 PolarHBondContact OG1-N 2.98Å; T134-S137 VanDerWaalsContact OG1-N 3.08Å; T134-S137 PolarHBondContact OG1-OG 2.95Å; S137-K141 WeakPolarHBondContact O-CB 3.46Å; S137-K141 PolarHBondContact O-N 3.44Å; S137-K141 VanDerWaalsContact O-N 3.1Å
138D98Very high95.9Very high5 Ų565.6 Ų65.63%0.02733%0.332CS..Hα-helixtrans-73.6-36.8179.2-73.9-29.7000111.5L101 Y126 R133 T134 L135 E136 K141 E142L101-D138 HydrophobicContact CD2-CB 3.38Å; Y126-D138 WeakPolarHBondContact CE1-OD2 3.34Å; Y126-D138 PolarHBondContact OH-OD2 3.03Å; R133-D138 VanDerWaalsContact CB-OD2 3.32Å; R133-D138 WeakPolarHBondContact CB-OD2 3.18Å; R133-D138 WeakPolarHBondContact CD-OD1 3.4Å; R133-D138 IonicContact CZ-OD1 3.6Å; R133-D138 IonicContact CZ-OD2 3.31Å; R133-D138 IonicContact NE-OD1 3.78Å; R133-D138 IonicContact NE-OD2 3.02Å; R133-D138 IonicContact NH1-OD1 2.8Å; R133-D138 PolarHBondContact NH1-OD1 2.88Å; R133-D138 IonicContact NH1-OD2 2.61Å; R133-D138 PolarHBondContact NH1-OD2 2.85Å; R133-D138 IonicContact NH2-OD2 3.25Å; T134-D138 PolarHBondContact O-N 3Å; L135-D138 PolarHBondContact O-N 2.9Å; E136-D138 VanDerWaalsContact C-N 3.28Å; E136-D138 PolarHBondContact O-N 2.88Å; D138-K141 PolarHBondContact O-N 3.44Å; D138-E142 WeakPolarHBondContact O-CB 3.26Å; D138-E142 VanDerWaalsContact O-CG 3.3Å; D138-E142 WeakPolarHBondContact O-CG 3.46Å; D138-E142 PolarHBondContact O-N 3.27Å
139I98.3Very high96Very high0 Ų063.5 Ų63.50%032%0.322CS..Hα-helixtrans-62-46.9172.7-74.4-57.5000111.6L101 V107 I111 L135 E136 K141 E142 T143 L151 V152 L155L101-I139 HydrophobicContact CD1-CD1 3.64Å; L101-I139 HydrophobicContact CD1-CG1 4.4Å; L101-I139 HydrophobicContact CG-CD1 4.13Å; V107-I139 HydrophobicContact CG1-CD1 3.98Å; I111-I139 HydrophobicContact CD1-CD1 4.07Å; I111-I139 HydrophobicContact CD1-CG1 4.21Å; L135-I139 HydrophobicContact CD1-CD1 4.48Å; L135-I139 HydrophobicContact CD1-CG1 3.98Å; L135-I139 HydrophobicContact CG-CG1 4.44Å; L135-I139 WeakPolarHBondContact O-CB 3.31Å; L135-I139 VanDerWaalsContact O-CG1 3.28Å; L135-I139 WeakPolarHBondContact O-CG1 3.29Å; L135-I139 PolarHBondContact O-N 2.91Å; E136-I139 PolarHBondContact O-N 2.91Å; I139-K141 PolarHBondContact O-N 3.15Å; I139-E142 PolarHBondContact O-N 3.46Å; I139-T143 WeakPolarHBondContact O-CB 3.34Å; I139-T143 PolarHBondContact O-N 3.28Å; I139-T143 PolarHBondContact O-OG1 2.88Å; I139-L151 HydrophobicContact CD1-CD1 3.94Å; I139-L151 HydrophobicContact CG2-CB 3.71Å; I139-L151 HydrophobicContact CG2-CD1 3.81Å; I139-L151 HydrophobicContact CG2-CG 4.46Å; I139-V152 HydrophobicContact CG2-CG2 4.5Å; I139-L155 HydrophobicContact CB-CD1 4.38Å; I139-L155 HydrophobicContact CG1-CD1 4.08Å
140I98.1Very high96.4Very high85 Ų8560.5 Ų60.544%0.43631%0.309SS..Hα-helixtrans-60.1-37.8177.6-68.9165.9000110.7E136 E148 V152E136-I140 VanDerWaalsContact O-CG1 3.31Å; E136-I140 WeakPolarHBondContact O-CG1 3.5Å; E136-I140 PolarHBondContact O-N 3.26Å; I140-E148 HydrophobicContact CG1-CG 4.45Å; I140-V152 HydrophobicContact CD1-CG2 4.35Å; I140-V152 HydrophobicContact CG1-CG2 3.83Å
141K96.7Very high96.8Very high148 Ų14860.1 Ų60.164%0.64331%0.305SS*.Hα-helixtrans-72.5-40.4-179.8-177.8-176171.9-169.90113.2S137 D138 I139S137-K141 WeakPolarHBondContact O-CB 3.46Å; S137-K141 PolarHBondContact O-N 3.44Å; S137-K141 VanDerWaalsContact O-N 3.1Å; D138-K141 PolarHBondContact O-N 3.44Å; I139-K141 PolarHBondContact O-N 3.15Å
142E97Very high97.4Very high68 Ų6857.5 Ų57.532%0.31829%0.285SS..Hα-helixtrans-96-7.1-169.4-61-64.3149.400113.5L101 K102 D138 I139L101-E142 HydrophobicContact CD2-CB 4.44Å; L101-E142 HydrophobicContact CD2-CG 4.08Å; K102-E142 WeakPolarHBondContact CE-OE2 3.4Å; D138-E142 WeakPolarHBondContact O-CB 3.26Å; D138-E142 VanDerWaalsContact O-CG 3.3Å; D138-E142 WeakPolarHBondContact O-CG 3.46Å; D138-E142 PolarHBondContact O-N 3.27Å; I139-E142 PolarHBondContact O-N 3.46Å
143T98Very high97.9Very high20 Ų2049.6 Ų49.612%0.12325%0.252CS..  trans-120.6176-179.770.20000112.2I139 Y147 E148 L151I139-T143 WeakPolarHBondContact O-CB 3.34Å; I139-T143 PolarHBondContact O-N 3.28Å; I139-T143 PolarHBondContact O-OG1 2.88Å; T143-Y147 HydrophobicContact CG2-CD1 3.86Å; T143-Y147 HydrophobicContact CG2-CE1 3.82Å; T143-E148 VanDerWaalsContact OG1-CA 3.31Å; T143-E148 WeakPolarHBondContact OG1-CA 3.36Å; T143-E148 VanDerWaalsContact OG1-CB 3.25Å; T143-E148 WeakPolarHBondContact OG1-CB 2.97Å; T143-E148 WeakPolarHBondContact OG1-CG 3.47Å; T143-L151 HydrophobicContact CG2-CD1 4.08Å
144K98Very high98.2Very high169 Ų16946 Ų4674%0.73524%0.239SC*.  trans-138.4151.6178.2-65.9-177.1-179.3177.40110.4Y147 E148K144-Y147 WeakPolarHBondContact O-CB 3.33Å; K144-Y147 PolarHBondContact O-N 3.07Å; K144-Y147 VanDerWaalsContact O-N 3.09Å; K144-E148 PolarHBondContact O-N 3.11Å
145P98.5Very high98.3Very high77 Ų7743.8 Ų43.850%0.523%0.225SC..THydrogen-bonded Turntrans-59.3147.4173.1-2635.8000112.9E148 Q149P145-E148 HydrophobicContact CG-CB 4.46Å; P145-Q149 HydrophobicContact CB-CG 4.22Å
146P98.3Very high98.3Very high44 Ų4447.9 Ų47.929%0.28625%0.245SC..THydrogen-bonded Turncis-83.1-5.4133.7-36000114.3E148 Q149 L150 S205 I209 F247P146-E148 PolarHBondContact O-N 3.45Å; P146-Q149 WeakPolarHBondContact O-CB 3.28Å; P146-Q149 PolarHBondContact O-N 3.42Å; P146-L150 PolarHBondContact O-N 3.14Å; P146-S205 VanDerWaalsContact CB-CB 3.42Å; P146-I209 HydrophobicContact CB-CD1 4.49Å; P146-F247 HydrophobicContact CB-CD2 4.42Å; P146-F247 HydrophobicContact CB-CE1 4.47Å; P146-F247 HydrophobicContact CB-CE2 4.34Å; P146-F247 HydrophobicContact CB-CZ 4.36Å; P146-F247 HydrophobicContact CG-CB 4.38Å; P146-F247 HydrophobicContact CG-CD1 3.82Å; P146-F247 HydrophobicContact CG-CD2 4.31Å; P146-F247 HydrophobicContact CG-CE1 4.13Å; P146-F247 HydrophobicContact CG-CG 3.92Å; P146-F247 HydrophobicContact CG-CZ 4.47Å
147Y98.8Very high98.3Very high11 Ų1146.7 Ų46.74%0.04324%0.243CC..Hα-helixtrans-63.4-44.4-178.4-178.7-127.1000112.7P104 V107 N108 T143 K144 Q149 L150 L151 P246 F247P104-Y147 HydrophobicContact CB-CE1 4.41Å; P104-Y147 PolarHBondContact O-OH 3.23Å; V107-Y147 WeakPolarHBondContact CG1-OH 3.48Å; N108-Y147 WeakPolarHBondContact OD1-CE2 3.46Å; N108-Y147 VanDerWaalsContact OD1-CZ 3.29Å; N108-Y147 PolarHBondContact OD1-OH 2.82Å; T143-Y147 HydrophobicContact CG2-CD1 3.86Å; T143-Y147 HydrophobicContact CG2-CE1 3.82Å; K144-Y147 WeakPolarHBondContact O-CB 3.33Å; K144-Y147 PolarHBondContact O-N 3.07Å; K144-Y147 VanDerWaalsContact O-N 3.09Å; Y147-Q149 PolarHBondContact O-N 3.47Å; Y147-L150 WeakPolarHBondContact O-CB 3.31Å; Y147-L150 PolarHBondContact O-N 2.85Å; Y147-L151 HydrophobicContact CD1-CD1 4.13Å; Y147-L151 HydrophobicContact CD2-CG 4.37Å; Y147-L151 HydrophobicContact CE1-CD1 3.64Å; Y147-L151 HydrophobicContact CE1-CG 4.45Å; Y147-L151 HydrophobicContact CE2-CD1 4.08Å; Y147-L151 HydrophobicContact CE2-CD2 4.05Å; Y147-L151 HydrophobicContact CE2-CG 4.04Å; Y147-L151 PolarHBondContact O-N 3.45Å; Y147-P246 HydrophobicContact CD1-CB 4.32Å; Y147-P246 HydrophobicContact CD1-CG 3.41Å; Y147-P246 VanDerWaalsContact CD1-CG 3.41Å; Y147-P246 HydrophobicContact CD2-CB 4.45Å; Y147-P246 HydrophobicContact CD2-CG 4.13Å; Y147-P246 HydrophobicContact CE1-CB 4.11Å; Y147-P246 HydrophobicContact CE1-CG 3.6Å; Y147-P246 HydrophobicContact CE2-CB 4.26Å; Y147-P246 HydrophobicContact CE2-CG 4.29Å; Y147-P246 HydrophobicContact CG-CB 4.46Å; Y147-P246 HydrophobicContact CG-CG 3.67Å; Y147-F247 HydrophobicContact CD2-CB 4.36Å
148E98.7Very high98.3Very high42 Ų4252.4 Ų52.420%0.19626%0.256CS..Hα-helixtrans-52.5-45173.3-175.3-166.211400111.7I140 T143 K144 P145 P146 L150 L151 V152I140-E148 HydrophobicContact CG1-CG 4.45Å; T143-E148 VanDerWaalsContact OG1-CA 3.31Å; T143-E148 WeakPolarHBondContact OG1-CA 3.36Å; T143-E148 VanDerWaalsContact OG1-CB 3.25Å; T143-E148 WeakPolarHBondContact OG1-CB 2.97Å; T143-E148 WeakPolarHBondContact OG1-CG 3.47Å; K144-E148 PolarHBondContact O-N 3.11Å; P145-E148 HydrophobicContact CG-CB 4.46Å; P146-E148 PolarHBondContact O-N 3.45Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 3.19Å; E148-L151 PolarHBondContact O-N 3.12Å; E148-V152 HydrophobicContact CG-CG2 4.23Å; E148-V152 WeakPolarHBondContact O-CB 3.14Å; E148-V152 VanDerWaalsContact O-CG2 3.28Å; E148-V152 WeakPolarHBondContact O-CG2 3.39Å; E148-V152 PolarHBondContact O-N 3.38Å
149Q98.8Very high98.4Very high77 Ų7753.5 Ų53.536%0.3626%0.26SS..Hα-helixtrans-64.5-38.4-177.7-64.8169.8-25.200112P145 P146 Y147 A153 I209P145-Q149 HydrophobicContact CB-CG 4.22Å; P146-Q149 WeakPolarHBondContact O-CB 3.28Å; P146-Q149 PolarHBondContact O-N 3.42Å; Y147-Q149 PolarHBondContact O-N 3.47Å; Q149-A153 WeakPolarHBondContact O-CB 3.36Å; Q149-A153 PolarHBondContact O-N 3.23Å; Q149-I209 HydrophobicContact CB-CD1 3.84Å
150L98.9Very high98.4Very high0 Ų057.7 Ų57.70%028%0.282CS..Hα-helixtrans-59.3-52.2173.5173.960.8000111.2P146 Y147 E148 A153 L154 I209 T213 F247 L251 M254P146-L150 PolarHBondContact O-N 3.14Å; Y147-L150 WeakPolarHBondContact O-CB 3.31Å; Y147-L150 PolarHBondContact O-N 2.85Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 3.19Å; L150-A153 PolarHBondContact O-N 3.48Å; L150-L154 HydrophobicContact CD1-CD1 4.17Å; L150-L154 HydrophobicContact CD1-CG 4.43Å; L150-L154 HydrophobicContact CG-CD1 4.27Å; L150-L154 WeakPolarHBondContact O-CG 3.41Å; L150-L154 PolarHBondContact O-N 2.84Å; L150-I209 HydrophobicContact CB-CD1 4.34Å; L150-I209 HydrophobicContact CB-CG1 4.23Å; L150-I209 HydrophobicContact CD1-CG1 4.4Å; L150-T213 HydrophobicContact CD1-CG2 3.62Å; L150-F247 HydrophobicContact CB-CD2 4.08Å; L150-F247 HydrophobicContact CB-CE2 3.89Å; L150-F247 HydrophobicContact CD2-CD2 3.93Å; L150-F247 HydrophobicContact CD2-CE2 4.06Å; L150-F247 HydrophobicContact CG-CE2 4.47Å; L150-L251 HydrophobicContact CD1-CD2 3.94Å; L150-L251 HydrophobicContact CD2-CD2 4.11Å; L150-L251 HydrophobicContact CD2-CG 4.27Å; L150-M254 HydrophobicContact CD1-CE 4.17Å; L150-M254 HydrophobicContact CD1-SD 4.42Å
151L98.9Very high98.3Very high0 Ų058.4 Ų58.40%028%0.284CS..Hα-helixtrans-65.4-44.6-176.8-61.6-179.7000111.1V107 I111 I139 T143 Y147 E148 A153 L154 L155V107-L151 HydrophobicContact CG1-CD1 3.57Å; V107-L151 HydrophobicContact CG1-CD2 3.95Å; V107-L151 HydrophobicContact CG1-CG 4.43Å; I111-L151 HydrophobicContact CB-CD2 4.28Å; I111-L151 HydrophobicContact CD1-CD2 4.43Å; I111-L151 HydrophobicContact CG2-CD2 4.07Å; I139-L151 HydrophobicContact CD1-CD1 3.94Å; I139-L151 HydrophobicContact CG2-CB 3.71Å; I139-L151 HydrophobicContact CG2-CD1 3.81Å; I139-L151 HydrophobicContact CG2-CG 4.46Å; T143-L151 HydrophobicContact CG2-CD1 4.08Å; Y147-L151 HydrophobicContact CD1-CD1 4.13Å; Y147-L151 HydrophobicContact CD2-CG 4.37Å; Y147-L151 HydrophobicContact CE1-CD1 3.64Å; Y147-L151 HydrophobicContact CE1-CG 4.45Å; Y147-L151 HydrophobicContact CE2-CD1 4.08Å; Y147-L151 HydrophobicContact CE2-CD2 4.05Å; Y147-L151 HydrophobicContact CE2-CG 4.04Å; Y147-L151 PolarHBondContact O-N 3.45Å; E148-L151 PolarHBondContact O-N 3.12Å; L151-A153 VanDerWaalsContact C-N 3.28Å; L151-A153 PolarHBondContact O-N 3.47Å; L151-L154 PolarHBondContact O-N 3.16Å; L151-L155 WeakPolarHBondContact O-CB 3.39Å; L151-L155 VanDerWaalsContact O-CG 3.23Å; L151-L155 WeakPolarHBondContact O-CG 3.2Å; L151-L155 PolarHBondContact O-N 2.86Å
152V98.8Very high98.3Very high40 Ų4052.7 Ų52.724%0.24226%0.26CS..Hα-helixtrans-60.5-39.1176170.50000111.3I139 I140 E148 L155 Q156I139-V152 HydrophobicContact CG2-CG2 4.5Å; I140-V152 HydrophobicContact CD1-CG2 4.35Å; I140-V152 HydrophobicContact CG1-CG2 3.83Å; E148-V152 HydrophobicContact CG-CG2 4.23Å; E148-V152 WeakPolarHBondContact O-CB 3.14Å; E148-V152 VanDerWaalsContact O-CG2 3.28Å; E148-V152 WeakPolarHBondContact O-CG2 3.39Å; E148-V152 PolarHBondContact O-N 3.38Å; V152-L155 PolarHBondContact O-N 3.17Å; V152-Q156 WeakPolarHBondContact O-CG 3.39Å; V152-Q156 PolarHBondContact O-N 3.09Å; V152-Q156 PolarHBondContact O-NE2 3.33Å
153A98.8Very high98.3Very high20 Ų2052.2 Ų52.217%0.16526%0.263CS..Hα-helixtrans-65.3-41176.600000112.5Q149 L150 L151 Q156 I209 T213Q149-A153 WeakPolarHBondContact O-CB 3.36Å; Q149-A153 PolarHBondContact O-N 3.23Å; L150-A153 PolarHBondContact O-N 3.48Å; L151-A153 VanDerWaalsContact C-N 3.28Å; L151-A153 PolarHBondContact O-N 3.47Å; A153-Q156 WeakPolarHBondContact O-CB 3.32Å; A153-Q156 PolarHBondContact O-N 3.32Å; A153-I209 HydrophobicContact CB-CG2 3.85Å; A153-T213 HydrophobicContact CB-CG2 4.01Å
154L98.8Very high98.2Very high16 Ų1655.5 Ų55.58%0.08429%0.285CS..Hα-helixtrans-66.1-42.4174.1-70.1171.3000111.9I111 C112 L150 L151 Q156 A157 T213 M254I111-L154 HydrophobicContact CG2-CB 4.06Å; I111-L154 HydrophobicContact CG2-CD1 4.17Å; C112-L154 HydrophobicContact CB-CD1 4.48Å; L150-L154 HydrophobicContact CD1-CD1 4.17Å; L150-L154 HydrophobicContact CD1-CG 4.43Å; L150-L154 HydrophobicContact CG-CD1 4.27Å; L150-L154 WeakPolarHBondContact O-CG 3.41Å; L150-L154 PolarHBondContact O-N 2.84Å; L151-L154 PolarHBondContact O-N 3.16Å; L154-Q156 PolarHBondContact O-N 3.41Å; L154-Q156 VanDerWaalsContact O-N 3.08Å; L154-A157 PolarHBondContact O-N 2.96Å; L154-T213 HydrophobicContact CD2-CG2 3.99Å; L154-T213 HydrophobicContact CG-CG2 4.09Å; L154-M254 HydrophobicContact CD1-SD 4.41Å; L154-M254 HydrophobicContact CD2-SD 3.81Å
155L98.8Very high98.1Very high0 Ų054 Ų540%028%0.28CS..Hα-helixtrans-65.8-10.9178.9-69.7173.4000114I111 I119 K123 L135 E136 I139 L151 V152 A157I111-L155 HydrophobicContact CD1-CD1 4.47Å; I111-L155 HydrophobicContact CD1-CD2 4.34Å; I111-L155 HydrophobicContact CG2-CD2 4.34Å; I111-L155 HydrophobicContact CG2-CG 4.43Å; I119-L155 HydrophobicContact CD1-CD2 4.3Å; I119-L155 HydrophobicContact CG2-CD2 4.15Å; K123-L155 HydrophobicContact CD-CD2 4.42Å; K123-L155 HydrophobicContact CG-CD2 4.35Å; K123-L155 PolarHBondContact NZ-O 2.99Å; L135-L155 HydrophobicContact CD2-CD2 3.6Å; L135-L155 HydrophobicContact CG-CD1 4.19Å; L135-L155 HydrophobicContact CG-CD2 4.07Å; E136-L155 HydrophobicContact CG-CB 4.17Å; E136-L155 HydrophobicContact CG-CD1 4.08Å; I139-L155 HydrophobicContact CB-CD1 4.38Å; I139-L155 HydrophobicContact CG1-CD1 4.08Å; L151-L155 WeakPolarHBondContact O-CB 3.39Å; L151-L155 VanDerWaalsContact O-CG 3.23Å; L151-L155 WeakPolarHBondContact O-CG 3.2Å; L151-L155 PolarHBondContact O-N 2.86Å; V152-L155 PolarHBondContact O-N 3.17Å; L155-A157 PolarHBondContact O-N 3.43Å
156Q98.6Very high98Very high86 Ų8653 Ų5340%0.40227%0.27SS..THydrogen-bonded Turntrans-67.3-20.9168.6-61.5-49.8-60.100112.9V152 A153 L154 R158V152-Q156 WeakPolarHBondContact O-CG 3.39Å; V152-Q156 PolarHBondContact O-N 3.09Å; V152-Q156 PolarHBondContact O-NE2 3.33Å; A153-Q156 WeakPolarHBondContact O-CB 3.32Å; A153-Q156 PolarHBondContact O-N 3.32Å; L154-Q156 PolarHBondContact O-N 3.41Å; L154-Q156 VanDerWaalsContact O-N 3.08Å; Q156-R158 VanDerWaalsContact C-N 3.34Å; Q156-R158 HydrophobicContact CB-CG 4.37Å; Q156-R158 WeakPolarHBondContact O-CG 3.32Å; Q156-R158 PolarHBondContact O-N 2.82Å
157A98.4Very high97.9Very high20 Ų2052.3 Ų52.317%0.16527%0.265CS..  trans52.348.8-176.600000112.7N116 I119 M120 L154 L155N116-A157 HydrophobicContact CB-CB 4.1Å; N116-A157 WeakPolarHBondContact OD1-CA 3.49Å; N116-A157 PolarHBondContact OD1-O 3.32Å; I119-A157 HydrophobicContact CB-CB 4.14Å; I119-A157 HydrophobicContact CG2-CB 3.85Å; M120-A157 HydrophobicContact CG-CB 4.08Å; L154-A157 PolarHBondContact O-N 2.96Å; L155-A157 PolarHBondContact O-N 3.43Å
158R98.1Very high97.8Very high173 Ų17358.4 Ų58.465%0.65329%0.294SS*.  trans-13239.5-178.8-63.9179.1-166.6-166.43111.8N116 Q156 K214N116-R158 PolarHBondContact OD1-N 3.33Å; Q156-R158 VanDerWaalsContact C-N 3.34Å; Q156-R158 HydrophobicContact CB-CG 4.37Å; Q156-R158 WeakPolarHBondContact O-CG 3.32Å; Q156-R158 PolarHBondContact O-N 2.82Å; R158-K214 WeakPolarHBondContact O-CD 3.42Å; R158-K214 PolarHBondContact O-NZ 3.38Å
159R98.3Very high97.6Very high27 Ų2758.5 Ų58.510%0.10230%0.295CS..  trans-77.3141.9168.1174.5178.9-61.8-71.63.8108.6N116 E161 L212 R215 M254N116-R159 PolarHBondContact ND2-O 3.35Å; N116-R159 PolarHBondContact OD1-N 2.76Å; R159-E161 PolarHBondContact O-N 3.39Å; R159-L212 PolarHBondContact NH1-O 3.28Å; R159-L212 PolarHBondContact NH2-O 3.13Å; R159-R215 WeakPolarHBondContact CG-O 3.23Å; R159-R215 PolarHBondContact NH1-O 2.9Å; R159-M254 PolarHBondContact NH2-SD 2.84Å
160D98.2Very high97.5Very high88 Ų8855.2 Ų55.247%0.47128%0.281SS..  trans-63.8127169.1-59-27.5000108.5K214 S216D160-K214 VanDerWaalsContact CB-O 3.3Å; D160-K214 WeakPolarHBondContact CB-O 3.44Å; D160-K214 VanDerWaalsContact CG-O 3.22Å; D160-K214 PolarHBondContact N-O 3.21Å; D160-S216 WeakPolarHBondContact O-CA 3.25Å; D160-S216 WeakPolarHBondContact O-CB 3.43Å
161E97.1Very high97.3Very high101 Ų10160.6 Ų60.647%0.47231%0.308SS..  trans-113.4137.2179.6-74.5173.1157.800110N115 N116 R159 P163N115-E161 WeakPolarHBondContact CB-OE1 3.35Å; N116-E161 WeakPolarHBondContact CB-OE1 3.36Å; N116-E161 PolarHBondContact N-OE1 3.34Å; N116-E161 PolarHBondContact ND2-OE1 3.41Å; N116-E161 PolarHBondContact ND2-OE2 3.08Å; R159-E161 PolarHBondContact O-N 3.39Å; E161-P163 WeakPolarHBondContact O-CD 3.35Å
162D96.7Very high97.2Very high28 Ų2869.3 Ų69.315%0.1534%0.341CS..  trans-74.5123-176.7-62.2-63.8000110.2V167 L179 S216 K217 Y218D162-V167 HydrophobicContact CB-CG2 3.59Å; D162-L179 HydrophobicContact CB-CD2 3.94Å; D162-S216 VanDerWaalsContact CG-CB 3.43Å; D162-S216 VanDerWaalsContact CG-OG 3.26Å; D162-S216 WeakPolarHBondContact OD1-CB 3.27Å; D162-S216 PolarHBondContact OD1-OG 2.97Å; D162-S216 VanDerWaalsContact OD2-CB 3.28Å; D162-S216 WeakPolarHBondContact OD2-CB 3.26Å; D162-S216 PolarHBondContact OD2-OG 2.79Å; D162-K217 WeakPolarHBondContact OD2-CB 3.26Å; D162-K217 PolarHBondContact OD2-N 3.21Å; D162-Y218 HydrophobicContact CB-CD2 4.08Å; D162-Y218 WeakPolarHBondContact OD2-CD2 3.34Å; D162-Y218 PolarHBondContact OD2-N 3.17Å
163P96Very high97Very high58 Ų5870.1 Ų70.138%0.37735%0.346SS..  trans-62134-179.3-24.735000112.1E161 E165 L166 V167E161-P163 WeakPolarHBondContact O-CD 3.35Å; P163-E165 VanDerWaalsContact C-N 3.31Å; P163-E165 PolarHBondContact O-N 3.2Å; P163-L166 HydrophobicContact CB-CB 4.42Å; P163-L166 HydrophobicContact CB-CD1 4.32Å; P163-L166 HydrophobicContact CB-CG 4.26Å; P163-L166 HydrophobicContact CG-CD1 4.06Å; P163-L166 PolarHBondContact O-N 3.32Å; P163-V167 WeakPolarHBondContact O-CG2 3.5Å; P163-V167 PolarHBondContact O-N 2.83Å
164P95.9Very high96.7Very high89 Ų8980.5 Ų80.558%0.57838%0.381SS*.Hα-helixtrans-54.1-41.8-175.5-28.635.7000114.3L166 V167 E168P164-L166 VanDerWaalsContact C-N 3.29Å; P164-L166 PolarHBondContact O-N 3.32Å; P164-V167 WeakPolarHBondContact O-CB 3.28Å; P164-V167 PolarHBondContact O-N 2.91Å; P164-E168 PolarHBondContact O-N 3.44Å
165E96.3Very high96.5Very high138 Ų13882 Ų8265%0.64539%0.393SS*.Hα-helixtrans-64.7-36-178.9-55.485.8178.900111.9P163 E169P163-E165 VanDerWaalsContact C-N 3.31Å; P163-E165 PolarHBondContact O-N 3.2Å; E165-E169 PolarHBondContact O-N 3Å; E165-E169 VanDerWaalsContact O-N 3.07Å
166L97.1Very high96.4Very high55 Ų5583.4 Ų83.429%0.28840%0.402SS..Hα-helixtrans-76.2-30.5177-62.9-174.9000112.1P163 P164 E169 A170 L179P163-L166 HydrophobicContact CB-CB 4.42Å; P163-L166 HydrophobicContact CB-CD1 4.32Å; P163-L166 HydrophobicContact CB-CG 4.26Å; P163-L166 HydrophobicContact CG-CD1 4.06Å; P163-L166 PolarHBondContact O-N 3.32Å; P164-L166 VanDerWaalsContact C-N 3.29Å; P164-L166 PolarHBondContact O-N 3.32Å; L166-E169 PolarHBondContact O-N 2.83Å; L166-A170 VanDerWaalsContact O-CB 3.31Å; L166-A170 WeakPolarHBondContact O-CB 3.5Å; L166-A170 PolarHBondContact O-N 3.26Å; L166-L179 HydrophobicContact CB-CD2 3.4Å; L166-L179 VanDerWaalsContact CB-CD2 3.4Å; L166-L179 HydrophobicContact CB-CG 4.09Å; L166-L179 HydrophobicContact CD1-CD2 4.26Å; L166-L179 HydrophobicContact CG-CD2 4.5Å
167V96.6Very high96.1Very high30 Ų3083.5 Ų83.518%0.18241%0.412CS..Hα-helixtrans-64.9-46.6171.7171.40000110.7D162 P163 P164 E169 A170 I171 L179 Y218D162-V167 HydrophobicContact CB-CG2 3.59Å; P163-V167 WeakPolarHBondContact O-CG2 3.5Å; P163-V167 PolarHBondContact O-N 2.83Å; P164-V167 WeakPolarHBondContact O-CB 3.28Å; P164-V167 PolarHBondContact O-N 2.91Å; V167-E169 VanDerWaalsContact C-N 3.32Å; V167-E169 PolarHBondContact O-N 2.92Å; V167-A170 PolarHBondContact O-N 2.66Å; V167-I171 HydrophobicContact CG1-CD1 3.91Å; V167-I171 VanDerWaalsContact O-CG1 3.31Å; V167-I171 WeakPolarHBondContact O-CG1 3.48Å; V167-I171 PolarHBondContact O-N 3.39Å; V167-L179 HydrophobicContact CG2-CD1 4.41Å; V167-L179 HydrophobicContact CG2-CD2 4.36Å; V167-Y218 HydrophobicContact CB-CE2 4.3Å; V167-Y218 HydrophobicContact CG1-CE2 3.81Å; V167-Y218 HydrophobicContact CG2-CD2 4.15Å; V167-Y218 HydrophobicContact CG2-CE2 3.71Å
168E95.9Very high96Very high139 Ų13990.7 Ų90.765%0.6544%0.435SS*.Hα-helixtrans-59.5-43.1174.6-72179.6-176.300111.7P164 I171 R172P164-E168 PolarHBondContact O-N 3.44Å; E168-I171 PolarHBondContact O-N 3.22Å; E168-R172 WeakPolarHBondContact O-CB 3.29Å; E168-R172 PolarHBondContact O-N 2.77Å
169E95.4Very high95.9Very high43 Ų4383.8 Ų83.820%0.20141%0.411CS..Hα-helixtrans-60.6-45.3173.8-174178.7-179.200111.8E165 L166 V167 I171 R172 T173 R178E165-E169 PolarHBondContact O-N 3Å; E165-E169 VanDerWaalsContact O-N 3.07Å; L166-E169 PolarHBondContact O-N 2.83Å; V167-E169 VanDerWaalsContact C-N 3.32Å; V167-E169 PolarHBondContact O-N 2.92Å; E169-I171 PolarHBondContact O-N 3.46Å; E169-R172 PolarHBondContact O-N 2.98Å; E169-T173 HydrophobicContact CG-CG2 4.1Å; E169-T173 WeakPolarHBondContact O-CB 3.11Å; E169-T173 WeakPolarHBondContact O-CG2 3.29Å; E169-T173 PolarHBondContact O-N 3.21Å; E169-T173 PolarHBondContact O-OG1 2.9Å; E169-R178 VanDerWaalsContact CD-NH1 3.34Å; E169-R178 IonicContact OE1-CZ 3.55Å; E169-R178 IonicContact OE1-NE 3.67Å; E169-R178 PolarHBondContact OE1-NE 2.95Å; E169-R178 IonicContact OE1-NH1 2.83Å; E169-R178 PolarHBondContact OE1-NH1 3.44Å; E169-R178 IonicContact OE1-NH2 2.76Å; E169-R178 WeakPolarHBondContact OE2-CD 3.39Å; E169-R178 IonicContact OE2-CZ 3.74Å; E169-R178 IonicContact OE2-NE 3.18Å; E169-R178 IonicContact OE2-NH1 3.33Å; E169-R178 PolarHBondContact OE2-NH1 3.37Å
170A96Very high95.8Very high8 Ų883.1 Ų83.17%0.06641%0.41CS..Hα-helixtrans-64.1-39.3-18000000112L166 V167 R174 S175 L179L166-A170 VanDerWaalsContact O-CB 3.31Å; L166-A170 WeakPolarHBondContact O-CB 3.5Å; L166-A170 PolarHBondContact O-N 3.26Å; V167-A170 PolarHBondContact O-N 2.66Å; A170-R174 WeakPolarHBondContact O-CA 3.44Å; A170-R174 PolarHBondContact O-N 2.98Å; A170-S175 VanDerWaalsContact CA-O 3.27Å; A170-S175 WeakPolarHBondContact CA-O 3.1Å; A170-S175 VanDerWaalsContact CB-O 3.29Å; A170-S175 WeakPolarHBondContact CB-O 3.46Å; A170-S175 PolarHBondContact O-N 2.99Å; A170-L179 HydrophobicContact CB-CD1 3.5Å; A170-L179 HydrophobicContact CB-CG 4.43Å
171I95Very high95.7Very high113 Ų11381.9 Ų81.958%0.57941%0.408SS*.Hα-helixtrans-63.2-46.7174.3-68.4165.6000110.4V167 E168 E169V167-I171 HydrophobicContact CG1-CD1 3.91Å; V167-I171 VanDerWaalsContact O-CG1 3.31Å; V167-I171 WeakPolarHBondContact O-CG1 3.48Å; V167-I171 PolarHBondContact O-N 3.39Å; E168-I171 PolarHBondContact O-N 3.22Å; E169-I171 PolarHBondContact O-N 3.46Å
172R96.2Very high95.7Very high183 Ų18383 Ų8369%0.69141%0.408SS*.Hα-helixtrans-64.8-43.5-179.4-176.2-1746174.81.8112.7E168 E169E168-R172 WeakPolarHBondContact O-CB 3.29Å; E168-R172 PolarHBondContact O-N 2.77Å; E169-R172 PolarHBondContact O-N 2.98Å
173T95.5Very high95.8Very high58 Ų5885.8 Ų85.836%0.35643%0.43SS..Hα-helixtrans-89.3-13.2-17660.40000113.4E169 S175E169-T173 HydrophobicContact CG-CG2 4.1Å; E169-T173 WeakPolarHBondContact O-CB 3.11Å; E169-T173 WeakPolarHBondContact O-CG2 3.29Å; E169-T173 PolarHBondContact O-N 3.21Å; E169-T173 PolarHBondContact O-OG1 2.9Å; T173-S175 PolarHBondContact O-N 3.25Å; T173-S175 PolarHBondContact OG1-N 3.02Å
174R92.9Very high95.9Very high237 Ų23785.9 Ų85.989%0.89443%0.425SS*.THydrogen-bonded Turntrans53.934-168.7-55.8-179.1179.7170.1-0.7112.4A170A170-R174 WeakPolarHBondContact O-CA 3.44Å; A170-R174 PolarHBondContact O-N 2.98Å
175S94.5Very high96Very high49 Ų4981.7 Ų81.734%0.34340%0.398SS..  trans-132.6128-180-174.50000111.1A170 T173 S177A170-S175 VanDerWaalsContact CA-O 3.27Å; A170-S175 WeakPolarHBondContact CA-O 3.1Å; A170-S175 VanDerWaalsContact CB-O 3.29Å; A170-S175 WeakPolarHBondContact CB-O 3.46Å; A170-S175 PolarHBondContact O-N 2.99Å; T173-S175 PolarHBondContact O-N 3.25Å; T173-S175 PolarHBondContact OG1-N 3.02Å; S175-S177 PolarHBondContact OG-N 2.94Å; S175-S177 PolarHBondContact OG-OG 2.79Å
176T94.9Very high96.2Very high29 Ų2978.1 Ų78.118%0.17838%0.383CS..  trans-92.34.5176.751.60000112.8R178 L179 V180 Y218 E222T176-R178 PolarHBondContact O-N 2.61Å; T176-L179 WeakPolarHBondContact O-CB 3.49Å; T176-L179 PolarHBondContact O-N 2.9Å; T176-V180 PolarHBondContact O-N 3.39Å; T176-Y218 HydrophobicContact CG2-CD1 3.71Å; T176-Y218 HydrophobicContact CG2-CE1 4.41Å; T176-E222 WeakPolarHBondContact CB-OE1 3.31Å; T176-E222 WeakPolarHBondContact CG2-OE1 3.38Å; T176-E222 VanDerWaalsContact OG1-CD 3.29Å; T176-E222 PolarHBondContact OG1-OE1 3.02Å
177S94.3Very high96.2Very high88 Ų8880.8 Ų80.862%0.61539%0.393SS*.THydrogen-bonded Turntrans-59.2-23.4-171.256.60000115.5S175S175-S177 PolarHBondContact OG-N 2.94Å; S175-S177 PolarHBondContact OG-OG 2.79Å
178R94.8Very high96.3Very high170 Ų17079.5 Ų79.564%0.64238%0.384SS*.THydrogen-bonded Turntrans-92.3-19.5173.8-66.5-172.3-177-170.5-1.1114.2E169 T176E169-R178 VanDerWaalsContact CD-NH1 3.34Å; E169-R178 IonicContact OE1-CZ 3.55Å; E169-R178 IonicContact OE1-NE 3.67Å; E169-R178 PolarHBondContact OE1-NE 2.95Å; E169-R178 IonicContact OE1-NH1 2.83Å; E169-R178 PolarHBondContact OE1-NH1 3.44Å; E169-R178 IonicContact OE1-NH2 2.76Å; E169-R178 WeakPolarHBondContact OE2-CD 3.39Å; E169-R178 IonicContact OE2-CZ 3.74Å; E169-R178 IonicContact OE2-NE 3.18Å; E169-R178 IonicContact OE2-NH1 3.33Å; E169-R178 PolarHBondContact OE2-NH1 3.37Å; T176-R178 PolarHBondContact O-N 2.61Å
179L95.6Very high96.5Very high28 Ų2872.9 Ų72.915%0.14735%0.354CS..THydrogen-bonded Turntrans-85.5-34.1176-73170.9000111.3D162 L166 V167 A170 T176 Y218D162-L179 HydrophobicContact CB-CD2 3.94Å; L166-L179 HydrophobicContact CB-CD2 3.4Å; L166-L179 VanDerWaalsContact CB-CD2 3.4Å; L166-L179 HydrophobicContact CB-CG 4.09Å; L166-L179 HydrophobicContact CD1-CD2 4.26Å; L166-L179 HydrophobicContact CG-CD2 4.5Å; V167-L179 HydrophobicContact CG2-CD1 4.41Å; V167-L179 HydrophobicContact CG2-CD2 4.36Å; A170-L179 HydrophobicContact CB-CD1 3.5Å; A170-L179 HydrophobicContact CB-CG 4.43Å; T176-L179 WeakPolarHBondContact O-CB 3.49Å; T176-L179 PolarHBondContact O-N 2.9Å; L179-Y218 HydrophobicContact CD1-CD1 4.01Å; L179-Y218 HydrophobicContact CD1-CD2 3.84Å; L179-Y218 HydrophobicContact CD1-CE1 4.43Å; L179-Y218 HydrophobicContact CD1-CE2 4.3Å; L179-Y218 HydrophobicContact CD1-CG 3.68Å
180V97Very high96.6Very high13 Ų1374.7 Ų74.78%0.07936%0.362CS..SBendtrans-130.7129.5-163.2-178.30000111.4T176 R182 V185 H219 E222T176-V180 PolarHBondContact O-N 3.39Å; V180-R182 PolarHBondContact O-N 3.16Å; V180-V185 HydrophobicContact CG1-CG2 3.18Å; V180-H219 HydrophobicContact CG1-CB 4.29Å; V180-H219 HydrophobicContact CG2-CB 4.11Å; V180-E222 HydrophobicContact CB-CG 4.31Å; V180-E222 HydrophobicContact CG1-CB 4.25Å; V180-E222 HydrophobicContact CG1-CG 4.02Å; V180-E222 HydrophobicContact CG2-CG 4.18Å
181S97.1Very high96.8Very high63 Ų6377.1 Ų77.144%0.44137%0.374SS..  trans-79117.2171.6172.90000110.8S183 Q184 V185S181-S183 PolarHBondContact O-N 2.91Å; S181-S183 PolarHBondContact OG-OG 3.4Å; S181-Q184 PolarHBondContact O-N 3.4Å; S181-Q184 VanDerWaalsContact O-N 3.15Å; S181-V185 PolarHBondContact O-N 2.96Å
182R96.5Very high97Very high123 Ų12371.7 Ų71.746%0.46435%0.346SS..Hα-helixtrans-60.4-43.7-178.3-177.263.2-161.1-171.51.6113V180 Q184 V185 D186 L226V180-R182 PolarHBondContact O-N 3.16Å; R182-Q184 PolarHBondContact O-N 3Å; R182-V185 PolarHBondContact O-N 3.45Å; R182-D186 IonicContact CZ-OD1 3.42Å; R182-D186 IonicContact NE-OD1 3.57Å; R182-D186 PolarHBondContact NE-OD1 3.37Å; R182-D186 IonicContact NE-OD2 3.71Å; R182-D186 PolarHBondContact NE-OD2 3.24Å; R182-D186 IonicContact NH2-OD1 2.79Å; R182-D186 PolarHBondContact NH2-OD1 2.92Å; R182-D186 PolarHBondContact O-N 3.26Å; R182-L226 VanDerWaalsContact NH2-CD2 3.27Å
183S98.2Very high97.1Very high87 Ų8765.1 Ų65.161%0.60832%0.322SS*.Hα-helixtrans-63.2-33.5178.457.90000112.3S181 K187S181-S183 PolarHBondContact O-N 2.91Å; S181-S183 PolarHBondContact OG-OG 3.4Å; S183-K187 WeakPolarHBondContact O-CB 3.35Å; S183-K187 PolarHBondContact O-N 3.36Å; S183-K187 VanDerWaalsContact O-N 3.12Å
184Q98.6Very high97.2Very high60 Ų6068.2 Ų68.228%0.2833%0.328SS..Hα-helixtrans-73.4-37.2176.2-171.858.667.400111.8S181 R182 D188S181-Q184 PolarHBondContact O-N 3.4Å; S181-Q184 VanDerWaalsContact O-N 3.15Å; R182-Q184 PolarHBondContact O-N 3Å; Q184-D188 PolarHBondContact NE2-OD1 3.33Å; Q184-D188 WeakPolarHBondContact O-CB 3.49Å; Q184-D188 PolarHBondContact O-N 3.19Å
185V98.7Very high97.5Very high1 Ų157.1 Ų57.11%0.00629%0.287CS..Hα-helixtrans-62.3-49.1172.1174.40000110.7V180 S181 R182 K187 D188 V189 E222 I223 L226V180-V185 HydrophobicContact CG1-CG2 3.18Å; S181-V185 PolarHBondContact O-N 2.96Å; R182-V185 PolarHBondContact O-N 3.45Å; V185-K187 VanDerWaalsContact C-N 3.26Å; V185-K187 PolarHBondContact O-N 2.98Å; V185-D188 PolarHBondContact O-N 2.86Å; V185-V189 HydrophobicContact CG1-CG2 4.23Å; V185-V189 WeakPolarHBondContact O-CB 3.32Å; V185-V189 WeakPolarHBondContact O-CG2 3.35Å; V185-V189 PolarHBondContact O-N 2.79Å; V185-E222 HydrophobicContact CG1-CB 4Å; V185-E222 HydrophobicContact CG2-CB 3.83Å; V185-I223 HydrophobicContact CG1-CG1 4.29Å; V185-L226 HydrophobicContact CG1-CB 4.4Å; V185-L226 HydrophobicContact CG1-CD2 3.79Å
186D98.7Very high97.7Very high63 Ų6354.8 Ų54.834%0.33727%0.27SS..Hα-helixtrans-57.5-42.7-179.5-69.4-42.2000110.9R182 E190 L226R182-D186 IonicContact CZ-OD1 3.42Å; R182-D186 IonicContact NE-OD1 3.57Å; R182-D186 PolarHBondContact NE-OD1 3.37Å; R182-D186 IonicContact NE-OD2 3.71Å; R182-D186 PolarHBondContact NE-OD2 3.24Å; R182-D186 IonicContact NH2-OD1 2.79Å; R182-D186 PolarHBondContact NH2-OD1 2.92Å; R182-D186 PolarHBondContact O-N 3.26Å; D186-E190 WeakPolarHBondContact O-CB 3.33Å; D186-E190 PolarHBondContact O-N 2.86Å; D186-E190 VanDerWaalsContact O-N 3.09Å; D186-L226 WeakPolarHBondContact OD1-CD2 3.42Å
187K98.8Very high97.7Very high112 Ų11256.4 Ų56.449%0.48728%0.276SS..Hα-helixtrans-64.3-49.9174.4-178.1-179.8176.1-176.90112.6S183 V185 V189 E190 D191S183-K187 WeakPolarHBondContact O-CB 3.35Å; S183-K187 PolarHBondContact O-N 3.36Å; S183-K187 VanDerWaalsContact O-N 3.12Å; V185-K187 VanDerWaalsContact C-N 3.26Å; V185-K187 PolarHBondContact O-N 2.98Å; K187-V189 VanDerWaalsContact C-N 3.28Å; K187-V189 PolarHBondContact O-N 3.07Å; K187-E190 PolarHBondContact O-N 2.75Å; K187-E190 VanDerWaalsContact O-N 3.16Å; K187-D191 WeakPolarHBondContact O-CB 3.46Å; K187-D191 PolarHBondContact O-N 3.41Å
188D98.9Very high97.9Very high2 Ų258.5 Ų58.51%0.01127%0.274CS..Hα-helixtrans-62.6-37.3-178.4-69.9-26.4000111.2Q184 V185 D191 L192 I211 R215 H219 I223Q184-D188 PolarHBondContact NE2-OD1 3.33Å; Q184-D188 WeakPolarHBondContact O-CB 3.49Å; Q184-D188 PolarHBondContact O-N 3.19Å; V185-D188 PolarHBondContact O-N 2.86Å; D188-D191 PolarHBondContact O-N 2.88Å; D188-L192 WeakPolarHBondContact O-CB 3.42Å; D188-L192 WeakPolarHBondContact O-CD1 3.22Å; D188-L192 WeakPolarHBondContact O-CG 3.34Å; D188-L192 PolarHBondContact O-N 3.42Å; D188-I211 HydrophobicContact CB-CD1 4.23Å; D188-I211 HydrophobicContact CB-CG2 4.03Å; D188-R215 IonicContact OD1-CZ 3.52Å; D188-R215 IonicContact OD1-NE 2.73Å; D188-R215 IonicContact OD1-NH2 3.42Å; D188-R215 PolarHBondContact OD1-NH2 3.04Å; D188-R215 IonicContact OD2-CZ 3.78Å; D188-R215 IonicContact OD2-NE 3Å; D188-R215 PolarHBondContact OD2-NE 3.05Å; D188-R215 IonicContact OD2-NH2 3.82Å; D188-R215 PolarHBondContact OD2-NH2 3.28Å; D188-H219 IonicContact OD2-CD2 3.64Å; D188-H219 IonicContact OD2-CE1 2.88Å; D188-H219 IonicContact OD2-NE2 3.71Å; D188-H219 PolarHBondContact OD2-NE2 3.22Å; D188-I223 HydrophobicContact CB-CD1 3.68Å; D188-I223 HydrophobicContact CB-CG1 4.19Å
189V98.9Very high97.9Very high0 Ų055.7 Ų55.70%026%0.263CS..Hα-helixtrans-64.8-40.3174.7167.20000111.8V185 K187 Y193 I223 L226 Y227 K230 Y231V185-V189 HydrophobicContact CG1-CG2 4.23Å; V185-V189 WeakPolarHBondContact O-CB 3.32Å; V185-V189 WeakPolarHBondContact O-CG2 3.35Å; V185-V189 PolarHBondContact O-N 2.79Å; K187-V189 VanDerWaalsContact C-N 3.28Å; K187-V189 PolarHBondContact O-N 3.07Å; V189-Y193 WeakPolarHBondContact O-CB 3.48Å; V189-Y193 PolarHBondContact O-N 2.79Å; V189-I223 HydrophobicContact CG2-CB 4.22Å; V189-I223 HydrophobicContact CG2-CG1 4.17Å; V189-I223 HydrophobicContact CG2-CG2 4.12Å; V189-L226 HydrophobicContact CB-CD2 4.11Å; V189-L226 HydrophobicContact CB-CG 4.5Å; V189-L226 HydrophobicContact CG1-CD2 4.31Å; V189-L226 HydrophobicContact CG1-CG 4.24Å; V189-L226 HydrophobicContact CG2-CB 4.07Å; V189-L226 HydrophobicContact CG2-CD2 3.82Å; V189-L226 HydrophobicContact CG2-CG 4.09Å; V189-Y227 HydrophobicContact CG1-CD2 4.11Å; V189-K230 HydrophobicContact CG1-CD 4.48Å; V189-Y231 HydrophobicContact CG1-CD2 4.3Å; V189-Y231 HydrophobicContact CG1-CE2 3.55Å
190E98.7Very high97.9Very high82 Ų8258.9 Ų58.938%0.38329%0.294SS..Hα-helixtrans-65.3-48.3174.4-175168.3-153.600111.8D186 K187 L192 Y193 Y194D186-E190 WeakPolarHBondContact O-CB 3.33Å; D186-E190 PolarHBondContact O-N 2.86Å; D186-E190 VanDerWaalsContact O-N 3.09Å; K187-E190 PolarHBondContact O-N 2.75Å; K187-E190 VanDerWaalsContact O-N 3.16Å; E190-L192 VanDerWaalsContact C-N 3.34Å; E190-L192 PolarHBondContact O-N 3.28Å; E190-Y193 WeakPolarHBondContact O-CB 3.25Å; E190-Y193 PolarHBondContact O-N 3.43Å; E190-Y193 VanDerWaalsContact O-N 3.16Å; E190-Y194 HydrophobicContact CG-CD2 3.65Å; E190-Y194 HydrophobicContact CG-CE2 3.42Å; E190-Y194 VanDerWaalsContact CG-CE2 3.42Å; E190-Y194 VanDerWaalsContact O-CD2 3.22Å; E190-Y194 WeakPolarHBondContact O-CD2 3.3Å; E190-Y194 PolarHBondContact O-N 2.82Å; E190-Y194 WeakPolarHBondContact OE1-CE2 3.31Å
191D98.9Very high97.8Very high58 Ų5861.1 Ų61.131%0.3132%0.32SS..Hα-helixtrans-57.9-45.1177.5-73.8-13.4000110.9K187 D188 Y193 Y194 A195 T207 I211K187-D191 WeakPolarHBondContact O-CB 3.46Å; K187-D191 PolarHBondContact O-N 3.41Å; D188-D191 PolarHBondContact O-N 2.88Å; D191-Y193 PolarHBondContact O-N 3.2Å; D191-Y194 PolarHBondContact O-N 2.74Å; D191-A195 WeakPolarHBondContact O-CB 3.17Å; D191-A195 PolarHBondContact O-N 3.13Å; D191-T207 HydrophobicContact CB-CG2 4.17Å; D191-I211 HydrophobicContact CB-CD1 3.85Å
192L98.9Very high97.8Very high0 Ų066.3 Ų66.30%033%0.334CS..Hα-helixtrans-64.7-37.6176.9-73167.4000112.9D188 E190 A195 G196 F208 I211 I223 Y227 I235D188-L192 WeakPolarHBondContact O-CB 3.42Å; D188-L192 WeakPolarHBondContact O-CD1 3.22Å; D188-L192 WeakPolarHBondContact O-CG 3.34Å; D188-L192 PolarHBondContact O-N 3.42Å; E190-L192 VanDerWaalsContact C-N 3.34Å; E190-L192 PolarHBondContact O-N 3.28Å; L192-A195 PolarHBondContact O-N 3.07Å; L192-G196 PolarHBondContact O-N 3.28Å; L192-F208 HydrophobicContact CD2-CD1 3.75Å; L192-F208 HydrophobicContact CD2-CD2 4.01Å; L192-F208 HydrophobicContact CD2-CE1 3.8Å; L192-F208 HydrophobicContact CD2-CE2 4.08Å; L192-F208 HydrophobicContact CD2-CG 3.86Å; L192-F208 HydrophobicContact CD2-CZ 3.98Å; L192-I211 HydrophobicContact CD1-CD1 4.48Å; L192-I211 HydrophobicContact CD1-CG2 4.15Å; L192-I211 HydrophobicContact CD2-CD1 4.05Å; L192-I211 HydrophobicContact CG-CD1 3.79Å; L192-I211 HydrophobicContact CG-CG2 4.5Å; L192-I223 HydrophobicContact CD1-CD1 4.44Å; L192-I223 HydrophobicContact CD1-CG2 3.61Å; L192-Y227 HydrophobicContact CB-CE2 4.33Å; L192-I235 HydrophobicContact CD1-CD1 3.73Å; L192-I235 HydrophobicContact CD2-CD1 4.42Å
193Y98.7Very high97.8Very high44 Ų4461 Ų6117%0.17332%0.317CS..Hα-helixtrans-65.1-46.1176.9175.7-103.9000111.8V189 E190 D191 G196 E197 K198 Y231V189-Y193 WeakPolarHBondContact O-CB 3.48Å; V189-Y193 PolarHBondContact O-N 2.79Å; E190-Y193 WeakPolarHBondContact O-CB 3.25Å; E190-Y193 PolarHBondContact O-N 3.43Å; E190-Y193 VanDerWaalsContact O-N 3.16Å; D191-Y193 PolarHBondContact O-N 3.2Å; Y193-G196 PolarHBondContact O-N 3.48Å; Y193-E197 HydrophobicContact CD2-CB 3.99Å; Y193-E197 HydrophobicContact CE2-CB 4.02Å; Y193-E197 HydrophobicContact CE2-CG 4.16Å; Y193-E197 PolarHBondContact O-N 3.42Å; Y193-K198 HydrophobicContact CD1-CB 3.95Å; Y193-K198 HydrophobicContact CE1-CB 3.6Å; Y193-K198 HydrophobicContact CE1-CD 4.1Å; Y193-K198 HydrophobicContact CE1-CG 3.95Å; Y193-K198 WeakPolarHBondContact O-CB 3.29Å; Y193-K198 PolarHBondContact O-N 2.69Å; Y193-Y231 VanDerWaalsContact CB-CE2 3.44Å; Y193-Y231 AromaticContact CD1-CE1 3.87Å; Y193-Y231 HydrophobicContact CD1-CE1 3.87Å; Y193-Y231 AromaticContact CD1-CZ 3.86Å; Y193-Y231 AromaticContact CD2-CD1 3.52Å; Y193-Y231 HydrophobicContact CD2-CD1 3.52Å; Y193-Y231 AromaticContact CD2-CD2 3.7Å; Y193-Y231 HydrophobicContact CD2-CD2 3.7Å; Y193-Y231 AromaticContact CD2-CE1 3.61Å; Y193-Y231 HydrophobicContact CD2-CE1 3.61Å; Y193-Y231 AromaticContact CD2-CE2 3.75Å; Y193-Y231 HydrophobicContact CD2-CE2 3.75Å; Y193-Y231 AromaticContact CD2-CG 3.58Å; Y193-Y231 HydrophobicContact CD2-CG 3.58Å; Y193-Y231 AromaticContact CD2-CZ 3.71Å; Y193-Y231 HydrophobicContact CE1-CE1 4.05Å; Y193-Y231 AromaticContact CE2-CD1 3.52Å; Y193-Y231 HydrophobicContact CE2-CD1 3.52Å; Y193-Y231 HydrophobicContact CE2-CD2 4.46Å; Y193-Y231 AromaticContact CE2-CE1 3.82Å; Y193-Y231 HydrophobicContact CE2-CE1 3.82Å; Y193-Y231 AromaticContact CE2-CG 3.88Å; Y193-Y231 HydrophobicContact CE2-CG 3.88Å; Y193-Y231 HydrophobicContact CG-CD1 4.07Å; Y193-Y231 HydrophobicContact CG-CD2 4.13Å; Y193-Y231 AromaticContact CG-CE1 3.64Å; Y193-Y231 HydrophobicContact CG-CE1 3.64Å; Y193-Y231 AromaticContact CG-CE2 3.68Å; Y193-Y231 HydrophobicContact CG-CE2 3.68Å; Y193-Y231 HydrophobicContact CG-CG 4.3Å; Y193-Y231 AromaticContact CG-CZ 3.41Å; Y193-Y231 VanDerWaalsContact CG-CZ 3.41Å
194Y98.7Very high97.8Very high124 Ų12458.7 Ų58.749%0.48630%0.298SS..Hα-helixtrans-69.5-32.1176.6-74-66.1000113.2E190 D191 K198 R199E190-Y194 HydrophobicContact CG-CD2 3.65Å; E190-Y194 HydrophobicContact CG-CE2 3.42Å; E190-Y194 VanDerWaalsContact CG-CE2 3.42Å; E190-Y194 VanDerWaalsContact O-CD2 3.22Å; E190-Y194 WeakPolarHBondContact O-CD2 3.3Å; E190-Y194 PolarHBondContact O-N 2.82Å; E190-Y194 WeakPolarHBondContact OE1-CE2 3.31Å; D191-Y194 PolarHBondContact O-N 2.74Å; Y194-K198 HydrophobicContact CD1-CB 4.1Å; Y194-K198 HydrophobicContact CD1-CG 3.77Å; Y194-K198 HydrophobicContact CE1-CG 3.96Å; Y194-R199 WeakPolarHBondContact O-CB 3.26Å
195A98.6Very high97.8Very high4 Ų457 Ų573%0.03329%0.293CS..Hα-helixtrans-72.1-31.5174.600000113.5D191 L192 R199 G203 D204 T207 F208D191-A195 WeakPolarHBondContact O-CB 3.17Å; D191-A195 PolarHBondContact O-N 3.13Å; L192-A195 PolarHBondContact O-N 3.07Å; A195-R199 WeakPolarHBondContact O-CD 3.28Å; A195-G203 CarbonylContact O-C 3.22Å; A195-G203 WeakPolarHBondContact O-CA 3.35Å; A195-D204 HydrophobicContact CB-CB 3.74Å; A195-D204 PolarHBondContact O-N 2.83Å; A195-T207 HydrophobicContact CB-CG2 3.64Å; A195-F208 HydrophobicContact CB-CD2 3.96Å; A195-F208 HydrophobicContact CB-CE2 3.72Å
196G98.2Very high97.8Very high0 Ų061.6 Ų61.60%032%0.318CS..THydrogen-bonded Turntrans-109.9-90-17300000112.6L192 Y193 R199 K242L192-G196 PolarHBondContact O-N 3.28Å; Y193-G196 PolarHBondContact O-N 3.48Å; G196-R199 WeakPolarHBondContact O-CB 3.24Å; G196-R199 PolarHBondContact O-N 3.47Å; G196-K242 WeakPolarHBondContact O-CD 3.41Å; G196-K242 WeakPolarHBondContact O-CE 3.45Å; G196-K242 PolarHBondContact O-NZ 2.99Å; G196-K242 VanDerWaalsContact O-NZ 3.11Å
197E96.1Very high97.8Very high63 Ų6360.3 Ų60.329%0.29431%0.312SS..THydrogen-bonded Turntrans-62.9-47.8-166.8-171171.9142.500113.4Y193 R199 Y227 N233 V238 K242Y193-E197 HydrophobicContact CD2-CB 3.99Å; Y193-E197 HydrophobicContact CE2-CB 4.02Å; Y193-E197 HydrophobicContact CE2-CG 4.16Å; Y193-E197 PolarHBondContact O-N 3.42Å; E197-R199 VanDerWaalsContact C-N 3.26Å; E197-R199 PolarHBondContact O-N 3.36Å; E197-Y227 WeakPolarHBondContact CB-OH 3.21Å; E197-Y227 PolarHBondContact OE2-OH 3.03Å; E197-Y227 VanDerWaalsContact OE2-OH 3.14Å; E197-N233 PolarHBondContact OE2-ND2 3.3Å; E197-V238 HydrophobicContact CB-CG1 4.4Å; E197-V238 HydrophobicContact CB-CG2 4.34Å; E197-K242 PolarHBondContact O-NZ 2.96Å
198K97.1Very high97.8Very high131 Ų13155 Ų5557%0.5729%0.289SS*.SBendtrans-70.8-22.7-178.9-171.659.7172.9-172.80112.9Y193 Y194Y193-K198 HydrophobicContact CD1-CB 3.95Å; Y193-K198 HydrophobicContact CE1-CB 3.6Å; Y193-K198 HydrophobicContact CE1-CD 4.1Å; Y193-K198 HydrophobicContact CE1-CG 3.95Å; Y193-K198 WeakPolarHBondContact O-CB 3.29Å; Y193-K198 PolarHBondContact O-N 2.69Å; Y194-K198 HydrophobicContact CD1-CB 4.1Å; Y194-K198 HydrophobicContact CD1-CG 3.77Å; Y194-K198 HydrophobicContact CE1-CG 3.96Å
199R96.2Very high97.8Very high112 Ų11255.5 Ų55.542%0.42329%0.292SS..SBendtrans-71.9132.6179.7-166.2173.3-177.1122.4-5.8110.9Y194 A195 G196 E197 K202 D204 K242Y194-R199 WeakPolarHBondContact O-CB 3.26Å; A195-R199 WeakPolarHBondContact O-CD 3.28Å; G196-R199 WeakPolarHBondContact O-CB 3.24Å; G196-R199 PolarHBondContact O-N 3.47Å; E197-R199 VanDerWaalsContact C-N 3.26Å; E197-R199 PolarHBondContact O-N 3.36Å; R199-K202 WeakPolarHBondContact CD-O 3.25Å; R199-D204 IonicContact CZ-OD2 3.36Å; R199-D204 IonicContact NH1-OD2 2.87Å; R199-D204 PolarHBondContact NH1-OD2 3.22Å; R199-K242 PolarHBondContact O-NZ 2.91Å
200A94.5Very high97.8Very high95 Ų9562.8 Ų62.879%0.78532%0.324SS*.SBendtrans-71.5138.4170.300000111
201G95Very high97.8Very high60 Ų6059.1 Ų59.162%0.61931%0.306SS*.SBendtrans75.1-139.7178.800000114K242G201-K242 WeakPolarHBondContact O-CD 3.33Å
202K96.1Very high97.8Very high171 Ų17156.4 Ų56.474%0.74329%0.292SS*.SBendtrans-67.4146.1-179.6-66.3-174.1179.2-176.90111R199R199-K202 WeakPolarHBondContact CD-O 3.25Å
203G97.7Very high97.8Very high11 Ų1156.6 Ų56.611%0.11329%0.293CS..  trans-67.6162.2175.100000112.9A195 S205 K242 F243A195-G203 CarbonylContact O-C 3.22Å; A195-G203 WeakPolarHBondContact O-CA 3.35Å; G203-S205 PolarHBondContact O-N 2.91Å; G203-K242 PolarHBondContact N-O 2.98Å; G203-K242 VanDerWaalsContact N-O 3.17Å; G203-F243 WeakPolarHBondContact O-CE1 3.35Å
204D98.6Very high97.8Very high39 Ų3957.6 Ų57.621%0.20930%0.298CS..  trans-81.3100.9172.7-167.7-58.1000110A195 R199 D206 T207 F208A195-D204 HydrophobicContact CB-CB 3.74Å; A195-D204 PolarHBondContact O-N 2.83Å; R199-D204 IonicContact CZ-OD2 3.36Å; R199-D204 IonicContact NH1-OD2 2.87Å; R199-D204 PolarHBondContact NH1-OD2 3.22Å; D204-D206 VanDerWaalsContact C-N 3.32Å; D204-D206 PolarHBondContact O-N 3.49Å; D204-D206 PolarHBondContact OD1-N 3.46Å; D204-T207 VanDerWaalsContact CG-OG1 3.31Å; D204-T207 PolarHBondContact OD1-N 3.14Å; D204-T207 PolarHBondContact OD1-OG1 3.44Å; D204-F208 WeakPolarHBondContact O-CD2 3.39Å; D204-F208 PolarHBondContact O-N 3Å
205S98.7Very high97.8Very high26 Ų2654 Ų5418%0.18228%0.284CS..Hα-helixtrans-62.4-39.3-177.147.90000112.6P146 G203 T207 F208 I209P146-S205 VanDerWaalsContact CB-CB 3.42Å; G203-S205 PolarHBondContact O-N 2.91Å; S205-T207 VanDerWaalsContact C-N 3.34Å; S205-T207 PolarHBondContact O-N 3.27Å; S205-F208 PolarHBondContact O-N 3.42Å; S205-I209 WeakPolarHBondContact O-CB 3.26Å; S205-I209 VanDerWaalsContact O-CG1 3.24Å; S205-I209 WeakPolarHBondContact O-CG1 3.21Å; S205-I209 PolarHBondContact O-N 2.9Å
206D98.8Very high97.7Very high96 Ų9654.1 Ų54.151%0.51329%0.285SS..Hα-helixtrans-66.1-40.5-172.9-64-4.2000110.9D204 K210D204-D206 VanDerWaalsContact C-N 3.32Å; D204-D206 PolarHBondContact O-N 3.49Å; D204-D206 PolarHBondContact OD1-N 3.46Å; D206-K210 WeakPolarHBondContact O-CB 3.46Å; D206-K210 PolarHBondContact O-N 2.91Å
207T98.8Very high97.7Very high36 Ų3658.3 Ų58.322%0.22130%0.303CS..Hα-helixtrans-63.9-46.3176.2-55.70000111.4D191 A195 D204 S205 K210 I211D191-T207 HydrophobicContact CB-CG2 4.17Å; A195-T207 HydrophobicContact CB-CG2 3.64Å; D204-T207 VanDerWaalsContact CG-OG1 3.31Å; D204-T207 PolarHBondContact OD1-N 3.14Å; D204-T207 PolarHBondContact OD1-OG1 3.44Å; S205-T207 VanDerWaalsContact C-N 3.34Å; S205-T207 PolarHBondContact O-N 3.27Å; T207-K210 PolarHBondContact O-N 3.36Å; T207-I211 HydrophobicContact CG2-CD1 3.93Å; T207-I211 WeakPolarHBondContact O-CG1 3.45Å; T207-I211 PolarHBondContact O-N 3.05Å; T207-I211 VanDerWaalsContact O-N 3.11Å
208F98.8Very high97.7Very high0 Ų057.6 Ų57.60%030%0.298CS..Hα-helixtrans-62.9-46177.7-86.3-103.7000111.7L192 A195 D204 S205 L212 I235 V238 I239 F243 L251L192-F208 HydrophobicContact CD2-CD1 3.75Å; L192-F208 HydrophobicContact CD2-CD2 4.01Å; L192-F208 HydrophobicContact CD2-CE1 3.8Å; L192-F208 HydrophobicContact CD2-CE2 4.08Å; L192-F208 HydrophobicContact CD2-CG 3.86Å; L192-F208 HydrophobicContact CD2-CZ 3.98Å; A195-F208 HydrophobicContact CB-CD2 3.96Å; A195-F208 HydrophobicContact CB-CE2 3.72Å; D204-F208 WeakPolarHBondContact O-CD2 3.39Å; D204-F208 PolarHBondContact O-N 3Å; S205-F208 PolarHBondContact O-N 3.42Å; F208-L212 HydrophobicContact CD1-CD1 3.9Å; F208-L212 VanDerWaalsContact O-CB 3.23Å; F208-L212 WeakPolarHBondContact O-CB 3.44Å; F208-L212 WeakPolarHBondContact O-CG 3.47Å; F208-L212 PolarHBondContact O-N 2.97Å; F208-I235 HydrophobicContact CE1-CD1 4.36Å; F208-I235 HydrophobicContact CE1-CG1 4.13Å; F208-V238 HydrophobicContact CZ-CG1 4.17Å; F208-I239 HydrophobicContact CD1-CD1 4.23Å; F208-I239 HydrophobicContact CD1-CG1 3.88Å; F208-I239 HydrophobicContact CE1-CD1 4.13Å; F208-I239 HydrophobicContact CE1-CG1 3.57Å; F208-F243 HydrophobicContact CB-CE2 4.48Å; F208-F243 HydrophobicContact CB-CZ 4.39Å; F208-F243 AromaticContact CD1-CE2 3.94Å; F208-F243 HydrophobicContact CD1-CE2 3.94Å; F208-F243 AromaticContact CD2-CE2 3.84Å; F208-F243 HydrophobicContact CD2-CE2 3.84Å; F208-F243 AromaticContact CD2-CZ 3.68Å; F208-F243 HydrophobicContact CD2-CZ 3.68Å; F208-F243 HydrophobicContact CE1-CE2 4.1Å; F208-F243 AromaticContact CE2-CE2 3.98Å; F208-F243 HydrophobicContact CE2-CE2 3.98Å; F208-F243 HydrophobicContact CE2-CZ 4.03Å; F208-F243 AromaticContact CG-CE2 3.81Å; F208-F243 HydrophobicContact CG-CE2 3.81Å; F208-F243 AromaticContact CG-CZ 3.94Å; F208-F243 HydrophobicContact CG-CZ 3.94Å; F208-F243 HydrophobicContact CZ-CE2 4.12Å; F208-L251 HydrophobicContact CB-CD1 4.26Å; F208-L251 HydrophobicContact CD1-CD1 4.32Å
209I98.9Very high97.8Very high14 Ų1452.1 Ų52.17%0.07227%0.274CS..Hα-helixtrans-61.2-50.6177.7-68.7164.7000110P146 Q149 L150 A153 S205 I211 T213 F247P146-I209 HydrophobicContact CB-CD1 4.49Å; Q149-I209 HydrophobicContact CB-CD1 3.84Å; L150-I209 HydrophobicContact CB-CD1 4.34Å; L150-I209 HydrophobicContact CB-CG1 4.23Å; L150-I209 HydrophobicContact CD1-CG1 4.4Å; A153-I209 HydrophobicContact CB-CG2 3.85Å; S205-I209 WeakPolarHBondContact O-CB 3.26Å; S205-I209 VanDerWaalsContact O-CG1 3.24Å; S205-I209 WeakPolarHBondContact O-CG1 3.21Å; S205-I209 PolarHBondContact O-N 2.9Å; I209-I211 VanDerWaalsContact C-N 3.32Å; I209-I211 PolarHBondContact O-N 3.25Å; I209-T213 HydrophobicContact CG2-CG2 4.01Å; I209-T213 VanDerWaalsContact O-CB 3.28Å; I209-T213 WeakPolarHBondContact O-CB 3.39Å; I209-T213 VanDerWaalsContact O-CG2 3.3Å; I209-T213 WeakPolarHBondContact O-CG2 3.49Å; I209-T213 PolarHBondContact O-N 3.43Å; I209-T213 PolarHBondContact O-OG1 2.8Å; I209-F247 HydrophobicContact CD1-CE2 3.76Å; I209-F247 HydrophobicContact CD1-CZ 4Å; I209-F247 HydrophobicContact CG1-CE2 3.74Å; I209-F247 HydrophobicContact CG1-CZ 3.89Å
210K98.6Very high97.9Very high153 Ų15346.9 Ų46.967%0.66526%0.255SS*.Hα-helixtrans-57.2-43.7-177.1178.3-174.3173.6-172.40112.5D206 T207 K214D206-K210 WeakPolarHBondContact O-CB 3.46Å; D206-K210 PolarHBondContact O-N 2.91Å; T207-K210 PolarHBondContact O-N 3.36Å; K210-K214 WeakPolarHBondContact O-CB 3.48Å; K210-K214 WeakPolarHBondContact O-CG 3.15Å
211I98.8Very high98Very high4 Ų446.2 Ų46.22%0.02123%0.234CC..Hα-helixtrans-75.7-57.4-179.6-65.9169.7000109.4D188 D191 L192 T207 I209 T213 K214 R215 I223D188-I211 HydrophobicContact CB-CD1 4.23Å; D188-I211 HydrophobicContact CB-CG2 4.03Å; D191-I211 HydrophobicContact CB-CD1 3.85Å; L192-I211 HydrophobicContact CD1-CD1 4.48Å; L192-I211 HydrophobicContact CD1-CG2 4.15Å; L192-I211 HydrophobicContact CD2-CD1 4.05Å; L192-I211 HydrophobicContact CG-CD1 3.79Å; L192-I211 HydrophobicContact CG-CG2 4.5Å; T207-I211 HydrophobicContact CG2-CD1 3.93Å; T207-I211 WeakPolarHBondContact O-CG1 3.45Å; T207-I211 PolarHBondContact O-N 3.05Å; T207-I211 VanDerWaalsContact O-N 3.11Å; I209-I211 VanDerWaalsContact C-N 3.32Å; I209-I211 PolarHBondContact O-N 3.25Å; I211-T213 VanDerWaalsContact C-N 3.32Å; I211-T213 PolarHBondContact O-N 3.45Å; I211-K214 PolarHBondContact O-N 3.41Å; I211-K214 VanDerWaalsContact O-N 3.13Å; I211-R215 HydrophobicContact CG2-CG 4.05Å; I211-R215 WeakPolarHBondContact O-CG 3.28Å; I211-R215 PolarHBondContact O-N 3.44Å; I211-I223 HydrophobicContact CG2-CD1 3.86Å
212L98.5Very high98.2Very high1 Ų145.3 Ų45.31%0.00521%0.214CC..Hα-helixtrans-74-18.1-168-61.6173.9000114R159 F208 V220 I235 I239 L251 M254 I255R159-L212 PolarHBondContact NH1-O 3.28Å; R159-L212 PolarHBondContact NH2-O 3.13Å; F208-L212 HydrophobicContact CD1-CD1 3.9Å; F208-L212 VanDerWaalsContact O-CB 3.23Å; F208-L212 WeakPolarHBondContact O-CB 3.44Å; F208-L212 WeakPolarHBondContact O-CG 3.47Å; F208-L212 PolarHBondContact O-N 2.97Å; L212-V220 HydrophobicContact CD2-CG1 4.41Å; L212-I235 HydrophobicContact CD1-CD1 4.4Å; L212-I235 HydrophobicContact CD2-CD1 4.1Å; L212-I239 HydrophobicContact CD1-CD1 4.33Å; L212-L251 HydrophobicContact CD1-CD2 4.09Å; L212-M254 HydrophobicContact CB-CE 3.4Å; L212-M254 VanDerWaalsContact CB-CE 3.4Å; L212-M254 HydrophobicContact CD1-CE 4.26Å; L212-M254 HydrophobicContact CG-CE 4.46Å; L212-M254 VanDerWaalsContact O-SD 3.38Å; L212-I255 HydrophobicContact CD1-CD1 3.91Å; L212-I255 HydrophobicContact CD1-CG1 4.34Å; L212-I255 HydrophobicContact CD2-CD1 4.37Å; L212-I255 HydrophobicContact CD2-CG1 4.36Å
213T98.6Very high98.3Very high5 Ų537.2 Ų37.23%0.03118%0.179CC..THydrogen-bonded Turntrans-88.5-11.8172.864.70000114L150 A153 L154 I209 I211 M254L150-T213 HydrophobicContact CD1-CG2 3.62Å; A153-T213 HydrophobicContact CB-CG2 4.01Å; L154-T213 HydrophobicContact CD2-CG2 3.99Å; L154-T213 HydrophobicContact CG-CG2 4.09Å; I209-T213 HydrophobicContact CG2-CG2 4.01Å; I209-T213 VanDerWaalsContact O-CB 3.28Å; I209-T213 WeakPolarHBondContact O-CB 3.39Å; I209-T213 VanDerWaalsContact O-CG2 3.3Å; I209-T213 WeakPolarHBondContact O-CG2 3.49Å; I209-T213 PolarHBondContact O-N 3.43Å; I209-T213 PolarHBondContact O-OG1 2.8Å; I211-T213 VanDerWaalsContact C-N 3.32Å; I211-T213 PolarHBondContact O-N 3.45Å; T213-M254 HydrophobicContact CG2-SD 4.25Å
214K98.3Very high98.3Very high65 Ų6539 Ų3928%0.28318%0.182SC..THydrogen-bonded Turntrans-106.3-39.2-176.9-65.1-58-174.6-169.60113.6R158 D160 K210 I211R158-K214 WeakPolarHBondContact O-CD 3.42Å; R158-K214 PolarHBondContact O-NZ 3.38Å; D160-K214 VanDerWaalsContact CB-O 3.3Å; D160-K214 WeakPolarHBondContact CB-O 3.44Å; D160-K214 VanDerWaalsContact CG-O 3.22Å; D160-K214 PolarHBondContact N-O 3.21Å; K210-K214 WeakPolarHBondContact O-CB 3.48Å; K210-K214 WeakPolarHBondContact O-CG 3.15Å; I211-K214 PolarHBondContact O-N 3.41Å; I211-K214 VanDerWaalsContact O-N 3.13Å
215R98.2Very high98.2Very high47 Ų4740.3 Ų40.318%0.17719%0.189CC..SBendtrans-69.4148.3-174.5-63-53.1177.2-120.7-7.3113.6R159 D188 I211 H219 V220 I223R159-R215 WeakPolarHBondContact CG-O 3.23Å; R159-R215 PolarHBondContact NH1-O 2.9Å; D188-R215 IonicContact OD1-CZ 3.52Å; D188-R215 IonicContact OD1-NE 2.73Å; D188-R215 IonicContact OD1-NH2 3.42Å; D188-R215 PolarHBondContact OD1-NH2 3.04Å; D188-R215 IonicContact OD2-CZ 3.78Å; D188-R215 IonicContact OD2-NE 3Å; D188-R215 PolarHBondContact OD2-NE 3.05Å; D188-R215 IonicContact OD2-NH2 3.82Å; D188-R215 PolarHBondContact OD2-NH2 3.28Å; I211-R215 HydrophobicContact CG2-CG 4.05Å; I211-R215 WeakPolarHBondContact O-CG 3.28Å; I211-R215 PolarHBondContact O-N 3.44Å; R215-H219 HydrophobicContact CB-CB 4.09Å; R215-H219 VanDerWaalsContact CG-CD2 3.47Å; R215-H219 WeakPolarHBondContact CG-CD2 3.35Å; R215-V220 HydrophobicContact CB-CG2 3.75Å; R215-I223 HydrophobicContact CG-CD1 4.38Å
216S98.2Very high98.2Very high8 Ų840.2 Ų40.26%0.05619%0.186CC..  trans-70.4169.5176.478.10000112.6D160 D162 Y218 H219 V220D160-S216 WeakPolarHBondContact O-CA 3.25Å; D160-S216 WeakPolarHBondContact O-CB 3.43Å; D162-S216 VanDerWaalsContact CG-CB 3.43Å; D162-S216 VanDerWaalsContact CG-OG 3.26Å; D162-S216 WeakPolarHBondContact OD1-CB 3.27Å; D162-S216 PolarHBondContact OD1-OG 2.97Å; D162-S216 VanDerWaalsContact OD2-CB 3.28Å; D162-S216 WeakPolarHBondContact OD2-CB 3.26Å; D162-S216 PolarHBondContact OD2-OG 2.79Å; S216-Y218 PolarHBondContact O-N 2.91Å; S216-H219 PolarHBondContact O-N 2.97Å; S216-H219 WeakPolarHBondContact OG-CB 3.45Å; S216-H219 PolarHBondContact OG-N 3.1Å; S216-V220 WeakPolarHBondContact O-CG2 3.5Å; S216-V220 PolarHBondContact O-N 2.78Å
217K97.3Very high98.2Very high87 Ų8735.7 Ų35.738%0.37816%0.162SC..Hα-helixtrans-58.3-50.1179.9164.6170.2174.9139.60110.7D162 H219 V220 K221 L258 M259D162-K217 WeakPolarHBondContact OD2-CB 3.26Å; D162-K217 PolarHBondContact OD2-N 3.21Å; K217-H219 VanDerWaalsContact C-N 3.34Å; K217-H219 PolarHBondContact O-N 3.16Å; K217-V220 PolarHBondContact O-N 2.57Å; K217-K221 PolarHBondContact O-N 3.2Å; K217-L258 HydrophobicContact CB-CD2 4.11Å; K217-L258 WeakPolarHBondContact CD-O 3.42Å; K217-L258 WeakPolarHBondContact CE-O 3.32Å; K217-L258 VanDerWaalsContact CG-O 3.28Å; K217-L258 WeakPolarHBondContact CG-O 3.42Å; K217-L258 PolarHBondContact NZ-O 3.37Å; K217-M259 PolarHBondContact NZ-O 3.11Å
218Y97.3Very high98.1Very high49 Ų4937.5 Ų37.519%0.19217%0.17CC..Hα-helixtrans-68.9-33.6-179.3-79.8-88.8000112.1D162 V167 T176 L179 S216 K221 E222D162-Y218 HydrophobicContact CB-CD2 4.08Å; D162-Y218 WeakPolarHBondContact OD2-CD2 3.34Å; D162-Y218 PolarHBondContact OD2-N 3.17Å; V167-Y218 HydrophobicContact CB-CE2 4.3Å; V167-Y218 HydrophobicContact CG1-CE2 3.81Å; V167-Y218 HydrophobicContact CG2-CD2 4.15Å; V167-Y218 HydrophobicContact CG2-CE2 3.71Å; T176-Y218 HydrophobicContact CG2-CD1 3.71Å; T176-Y218 HydrophobicContact CG2-CE1 4.41Å; L179-Y218 HydrophobicContact CD1-CD1 4.01Å; L179-Y218 HydrophobicContact CD1-CD2 3.84Å; L179-Y218 HydrophobicContact CD1-CE1 4.43Å; L179-Y218 HydrophobicContact CD1-CE2 4.3Å; L179-Y218 HydrophobicContact CD1-CG 3.68Å; S216-Y218 PolarHBondContact O-N 2.91Å; Y218-K221 WeakPolarHBondContact O-CB 3.41Å; Y218-K221 PolarHBondContact O-N 3.41Å; Y218-E222 WeakPolarHBondContact O-CG 3.28Å; Y218-E222 PolarHBondContact O-N 3.13Å
219H98.4Very high98.1Very high15 Ų1540.6 Ų40.67%0.06920%0.196CC..Hα-helixtrans-66.1-43174.1-168.5113.5000112.1V180 D188 R215 S216 K217 K221 E222 I223V180-H219 HydrophobicContact CG1-CB 4.29Å; V180-H219 HydrophobicContact CG2-CB 4.11Å; D188-H219 IonicContact OD2-CD2 3.64Å; D188-H219 IonicContact OD2-CE1 2.88Å; D188-H219 IonicContact OD2-NE2 3.71Å; D188-H219 PolarHBondContact OD2-NE2 3.22Å; R215-H219 HydrophobicContact CB-CB 4.09Å; R215-H219 VanDerWaalsContact CG-CD2 3.47Å; R215-H219 WeakPolarHBondContact CG-CD2 3.35Å; S216-H219 PolarHBondContact O-N 2.97Å; S216-H219 WeakPolarHBondContact OG-CB 3.45Å; S216-H219 PolarHBondContact OG-N 3.1Å; K217-H219 VanDerWaalsContact C-N 3.34Å; K217-H219 PolarHBondContact O-N 3.16Å; H219-K221 PolarHBondContact O-N 2.91Å; H219-E222 PolarHBondContact O-N 3.2Å; H219-I223 WeakPolarHBondContact O-CG1 3.31Å; H219-I223 PolarHBondContact O-N 2.99Å
220V98.3Very high98.1Very high3 Ų344.8 Ų44.82%0.01821%0.214CC..Hα-helixtrans-64.4-32.4174.9176.30000111.2L212 R215 S216 K217 I223 W224 L258 M259L212-V220 HydrophobicContact CD2-CG1 4.41Å; R215-V220 HydrophobicContact CB-CG2 3.75Å; S216-V220 WeakPolarHBondContact O-CG2 3.5Å; S216-V220 PolarHBondContact O-N 2.78Å; K217-V220 PolarHBondContact O-N 2.57Å; V220-I223 WeakPolarHBondContact O-CB 3.35Å; V220-I223 PolarHBondContact O-N 3.27Å; V220-W224 PolarHBondContact O-N 2.97Å; V220-L258 HydrophobicContact CB-CD1 4.22Å; V220-L258 HydrophobicContact CG1-CD1 4.24Å; V220-L258 HydrophobicContact CG2-CD1 3.96Å; V220-M259 HydrophobicContact CB-CE 4.04Å; V220-M259 HydrophobicContact CG1-CE 3.74Å
221K96.9Very high98Very high80 Ų8039.3 Ų39.335%0.34819%0.189SC..Hα-helixtrans-65.7-43.9174.917856.4178.8146.30111.7K217 Y218 H219 I223 W224 D225 M259K217-K221 PolarHBondContact O-N 3.2Å; Y218-K221 WeakPolarHBondContact O-CB 3.41Å; Y218-K221 PolarHBondContact O-N 3.41Å; H219-K221 PolarHBondContact O-N 2.91Å; K221-I223 VanDerWaalsContact C-N 3.34Å; K221-I223 PolarHBondContact O-N 3Å; K221-W224 WeakPolarHBondContact O-CB 3.46Å; K221-W224 PolarHBondContact O-N 3.25Å; K221-D225 WeakPolarHBondContact CE-OD2 3.27Å; K221-D225 IonicContact NZ-OD1 3.18Å; K221-D225 PolarHBondContact NZ-OD1 3.27Å; K221-D225 IonicContact NZ-OD2 2.79Å; K221-D225 PolarHBondContact NZ-OD2 2.99Å; K221-D225 PolarHBondContact O-N 3.14Å; K221-M259 HydrophobicContact CB-CE 3.97Å; K221-M259 HydrophobicContact CB-SD 4Å; K221-M259 HydrophobicContact CD-SD 3.61Å; K221-M259 HydrophobicContact CG-SD 4.39Å
222E98Very high97.9Very high41 Ų4146.8 Ų46.819%0.19222%0.224CC..Hα-helixtrans-63.5-38.5174-69-66.7149.200112.2T176 V180 V185 Y218 H219 L226T176-E222 WeakPolarHBondContact CB-OE1 3.31Å; T176-E222 WeakPolarHBondContact CG2-OE1 3.38Å; T176-E222 VanDerWaalsContact OG1-CD 3.29Å; T176-E222 PolarHBondContact OG1-OE1 3.02Å; V180-E222 HydrophobicContact CB-CG 4.31Å; V180-E222 HydrophobicContact CG1-CB 4.25Å; V180-E222 HydrophobicContact CG1-CG 4.02Å; V180-E222 HydrophobicContact CG2-CG 4.18Å; V185-E222 HydrophobicContact CG1-CB 4Å; V185-E222 HydrophobicContact CG2-CB 3.83Å; Y218-E222 WeakPolarHBondContact O-CG 3.28Å; Y218-E222 PolarHBondContact O-N 3.13Å; H219-E222 PolarHBondContact O-N 3.2Å; E222-L226 WeakPolarHBondContact O-CB 3.41Å; E222-L226 PolarHBondContact O-N 3.37Å
223I98.5Very high97.8Very high1 Ų147.7 Ų47.71%0.00523%0.228CC..Hα-helixtrans-58.9-48.9171.4-74.4173.5000110.4V185 D188 V189 L192 I211 R215 H219 V220 K221 D225 Y227 I235V185-I223 HydrophobicContact CG1-CG1 4.29Å; D188-I223 HydrophobicContact CB-CD1 3.68Å; D188-I223 HydrophobicContact CB-CG1 4.19Å; V189-I223 HydrophobicContact CG2-CB 4.22Å; V189-I223 HydrophobicContact CG2-CG1 4.17Å; V189-I223 HydrophobicContact CG2-CG2 4.12Å; L192-I223 HydrophobicContact CD1-CD1 4.44Å; L192-I223 HydrophobicContact CD1-CG2 3.61Å; I211-I223 HydrophobicContact CG2-CD1 3.86Å; R215-I223 HydrophobicContact CG-CD1 4.38Å; H219-I223 WeakPolarHBondContact O-CG1 3.31Å; H219-I223 PolarHBondContact O-N 2.99Å; V220-I223 WeakPolarHBondContact O-CB 3.35Å; V220-I223 PolarHBondContact O-N 3.27Å; K221-I223 VanDerWaalsContact C-N 3.34Å; K221-I223 PolarHBondContact O-N 3Å; I223-D225 PolarHBondContact O-N 2.79Å; I223-Y227 WeakPolarHBondContact O-CB 3.19Å; I223-Y227 PolarHBondContact O-N 2.71Å; I223-I235 HydrophobicContact CG2-CD1 4.31Å
224W97.3Very high97.7Very high50 Ų5048.6 Ų48.619%0.18923%0.234CC..Hα-helixtrans-56.3-52.6179.9175.9-75.7000111.5V220 K221 Y227 L228 T234 I235 V236 I255 M259V220-W224 PolarHBondContact O-N 2.97Å; K221-W224 WeakPolarHBondContact O-CB 3.46Å; K221-W224 PolarHBondContact O-N 3.25Å; W224-Y227 PolarHBondContact O-N 2.86Å; W224-L228 PolarHBondContact O-N 3.12Å; W224-L228 VanDerWaalsContact O-N 3.12Å; W224-T234 HydrophobicContact CZ2-CG2 4.06Å; W224-I235 HydrophobicContact CD2-CG2 4.35Å; W224-I235 HydrophobicContact CE3-CG2 3.42Å; W224-I235 VanDerWaalsContact CE3-CG2 3.42Å; W224-I235 HydrophobicContact CZ3-CG2 3.7Å; W224-V236 HydrophobicContact CH2-CB 4.04Å; W224-V236 HydrophobicContact CH2-CG2 3.85Å; W224-V236 HydrophobicContact CZ3-CB 4.04Å; W224-V236 HydrophobicContact CZ3-CG2 3.47Å; W224-V236 VanDerWaalsContact CZ3-CG2 3.47Å; W224-I255 HydrophobicContact CE3-CG2 3.85Å; W224-I255 HydrophobicContact CZ3-CG2 3.86Å; W224-M259 HydrophobicContact CB-SD 4.45Å
225D97Very high97.6Very high65 Ų6545.7 Ų45.735%0.34822%0.221SC..Hα-helixtrans-67-43.3-175.4-69.9-26.6000111.5K221 I223 A229K221-D225 WeakPolarHBondContact CE-OD2 3.27Å; K221-D225 IonicContact NZ-OD1 3.18Å; K221-D225 PolarHBondContact NZ-OD1 3.27Å; K221-D225 IonicContact NZ-OD2 2.79Å; K221-D225 PolarHBondContact NZ-OD2 2.99Å; K221-D225 PolarHBondContact O-N 3.14Å; I223-D225 PolarHBondContact O-N 2.79Å; D225-A229 WeakPolarHBondContact O-CB 3.4Å; D225-A229 PolarHBondContact O-N 3.48Å
226L98.4Very high97.5Very high25 Ų2545 Ų4513%0.13122%0.222CC..Hα-helixtrans-68.7-40.2178.4-179.260.9000112.5R182 V185 D186 V189 E222 L228 A229 K230R182-L226 VanDerWaalsContact NH2-CD2 3.27Å; V185-L226 HydrophobicContact CG1-CB 4.4Å; V185-L226 HydrophobicContact CG1-CD2 3.79Å; D186-L226 WeakPolarHBondContact OD1-CD2 3.42Å; V189-L226 HydrophobicContact CB-CD2 4.11Å; V189-L226 HydrophobicContact CB-CG 4.5Å; V189-L226 HydrophobicContact CG1-CD2 4.31Å; V189-L226 HydrophobicContact CG1-CG 4.24Å; V189-L226 HydrophobicContact CG2-CB 4.07Å; V189-L226 HydrophobicContact CG2-CD2 3.82Å; V189-L226 HydrophobicContact CG2-CG 4.09Å; E222-L226 WeakPolarHBondContact O-CB 3.41Å; E222-L226 PolarHBondContact O-N 3.37Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L226-L228 PolarHBondContact O-N 2.92Å; L226-A229 PolarHBondContact O-N 3.22Å; L226-K230 VanDerWaalsContact O-CB 3.27Å; L226-K230 WeakPolarHBondContact O-CB 3.47Å; L226-K230 PolarHBondContact O-N 3.42Å
227Y98.6Very high97.4Very high0 Ų048.9 Ų48.90%024%0.24CC..Hα-helixtrans-61.1-45.9178.4-167.5-72.4000110.2V189 L192 E197 I223 W224 A229 K230 Y231 N233 V238V189-Y227 HydrophobicContact CG1-CD2 4.11Å; L192-Y227 HydrophobicContact CB-CE2 4.33Å; E197-Y227 WeakPolarHBondContact CB-OH 3.21Å; E197-Y227 PolarHBondContact OE2-OH 3.03Å; E197-Y227 VanDerWaalsContact OE2-OH 3.14Å; I223-Y227 WeakPolarHBondContact O-CB 3.19Å; I223-Y227 PolarHBondContact O-N 2.71Å; W224-Y227 PolarHBondContact O-N 2.86Å; Y227-A229 PolarHBondContact O-N 3.34Å; Y227-K230 PolarHBondContact O-N 2.74Å; Y227-Y231 HydrophobicContact CD1-CD2 4.04Å; Y227-Y231 AromaticContact CD2-CD2 3.83Å; Y227-Y231 HydrophobicContact CD2-CD2 3.83Å; Y227-Y231 HydrophobicContact CD2-CE2 4.11Å; Y227-Y231 AromaticContact CE1-CD2 3.97Å; Y227-Y231 HydrophobicContact CE1-CD2 3.97Å; Y227-Y231 HydrophobicContact CE1-CG 4.48Å; Y227-Y231 AromaticContact CE2-CD2 3.77Å; Y227-Y231 HydrophobicContact CE2-CD2 3.77Å; Y227-Y231 HydrophobicContact CE2-CE2 4.08Å; Y227-Y231 AromaticContact CG-CD2 3.95Å; Y227-Y231 HydrophobicContact CG-CD2 3.95Å; Y227-Y231 AromaticContact CZ-CD2 3.81Å; Y227-Y231 PolarHBondContact O-N 2.94Å; Y227-N233 VanDerWaalsContact CD1-O 3.24Å; Y227-N233 WeakPolarHBondContact CD1-O 3.2Å; Y227-N233 HydrophobicContact CE1-CB 4.43Å; Y227-V238 HydrophobicContact CE1-CG2 3.86Å; Y227-V238 WeakPolarHBondContact OH-CG2 3.19Å
228L98Very high97.5Very high74 Ų7444.9 Ų44.939%0.38722%0.222SC..Hα-helixtrans-60.8-44.5175.3-179.960.3000111.9W224 L226 H232 N233 T234W224-L228 PolarHBondContact O-N 3.12Å; W224-L228 VanDerWaalsContact O-N 3.12Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L226-L228 PolarHBondContact O-N 2.92Å; L228-H232 VanDerWaalsContact O-CA 3.25Å; L228-H232 WeakPolarHBondContact O-CA 3.39Å; L228-H232 PolarHBondContact O-N 2.74Å; L228-N233 WeakPolarHBondContact CA-O 3.23Å; L228-T234 HydrophobicContact CD1-CG2 4.08Å
229A98.4Very high97.5Very high66 Ų6642.5 Ų42.555%0.54521%0.213SC..Hα-helixtrans-65.7-38.7179.800000113.1D225 L226 Y227D225-A229 WeakPolarHBondContact O-CB 3.4Å; D225-A229 PolarHBondContact O-N 3.48Å; L226-A229 PolarHBondContact O-N 3.22Å; Y227-A229 PolarHBondContact O-N 3.34Å
230K98.3Very high97.5Very high102 Ų10243.9 Ų43.944%0.44322%0.224SC..Hα-helixtrans-85.6-35.7-173.5-170.2175178.5-175.10113.4V189 L226 Y227V189-K230 HydrophobicContact CG1-CD 4.48Å; L226-K230 VanDerWaalsContact O-CB 3.27Å; L226-K230 WeakPolarHBondContact O-CB 3.47Å; L226-K230 PolarHBondContact O-N 3.42Å; Y227-K230 PolarHBondContact O-N 2.74Å
231Y97.6Very high97.5Very high37 Ų3750.6 Ų50.615%0.14525%0.253CS..Hα-helixtrans-118.7-0.7-172.3-53.8-59000113.9V189 Y193 Y227 N233V189-Y231 HydrophobicContact CG1-CD2 4.3Å; V189-Y231 HydrophobicContact CG1-CE2 3.55Å; Y193-Y231 VanDerWaalsContact CB-CE2 3.44Å; Y193-Y231 AromaticContact CD1-CE1 3.87Å; Y193-Y231 HydrophobicContact CD1-CE1 3.87Å; Y193-Y231 AromaticContact CD1-CZ 3.86Å; Y193-Y231 AromaticContact CD2-CD1 3.52Å; Y193-Y231 HydrophobicContact CD2-CD1 3.52Å; Y193-Y231 AromaticContact CD2-CD2 3.7Å; Y193-Y231 HydrophobicContact CD2-CD2 3.7Å; Y193-Y231 AromaticContact CD2-CE1 3.61Å; Y193-Y231 HydrophobicContact CD2-CE1 3.61Å; Y193-Y231 AromaticContact CD2-CE2 3.75Å; Y193-Y231 HydrophobicContact CD2-CE2 3.75Å; Y193-Y231 AromaticContact CD2-CG 3.58Å; Y193-Y231 HydrophobicContact CD2-CG 3.58Å; Y193-Y231 AromaticContact CD2-CZ 3.71Å; Y193-Y231 HydrophobicContact CE1-CE1 4.05Å; Y193-Y231 AromaticContact CE2-CD1 3.52Å; Y193-Y231 HydrophobicContact CE2-CD1 3.52Å; Y193-Y231 HydrophobicContact CE2-CD2 4.46Å; Y193-Y231 AromaticContact CE2-CE1 3.82Å; Y193-Y231 HydrophobicContact CE2-CE1 3.82Å; Y193-Y231 AromaticContact CE2-CG 3.88Å; Y193-Y231 HydrophobicContact CE2-CG 3.88Å; Y193-Y231 HydrophobicContact CG-CD1 4.07Å; Y193-Y231 HydrophobicContact CG-CD2 4.13Å; Y193-Y231 AromaticContact CG-CE1 3.64Å; Y193-Y231 HydrophobicContact CG-CE1 3.64Å; Y193-Y231 AromaticContact CG-CE2 3.68Å; Y193-Y231 HydrophobicContact CG-CE2 3.68Å; Y193-Y231 HydrophobicContact CG-CG 4.3Å; Y193-Y231 AromaticContact CG-CZ 3.41Å; Y193-Y231 VanDerWaalsContact CG-CZ 3.41Å; Y227-Y231 HydrophobicContact CD1-CD2 4.04Å; Y227-Y231 AromaticContact CD2-CD2 3.83Å; Y227-Y231 HydrophobicContact CD2-CD2 3.83Å; Y227-Y231 HydrophobicContact CD2-CE2 4.11Å; Y227-Y231 AromaticContact CE1-CD2 3.97Å; Y227-Y231 HydrophobicContact CE1-CD2 3.97Å; Y227-Y231 HydrophobicContact CE1-CG 4.48Å; Y227-Y231 AromaticContact CE2-CD2 3.77Å; Y227-Y231 HydrophobicContact CE2-CD2 3.77Å; Y227-Y231 HydrophobicContact CE2-CE2 4.08Å; Y227-Y231 AromaticContact CG-CD2 3.95Å; Y227-Y231 HydrophobicContact CG-CD2 3.95Å; Y227-Y231 AromaticContact CZ-CD2 3.81Å; Y227-Y231 PolarHBondContact O-N 2.94Å; Y231-N233 PolarHBondContact O-N 2.8Å; Y231-N233 VanDerWaalsContact O-N 3.13Å
232H96.6Very high97.5Very high162 Ų16248.8 Ų48.875%0.7525%0.245SC*.SBendtrans55.829.7176.5-51.3-61.2000114.1L228L228-H232 VanDerWaalsContact O-CA 3.25Å; L228-H232 WeakPolarHBondContact O-CA 3.39Å; L228-H232 PolarHBondContact O-N 2.74Å
233N96.7Very high97.6Very high19 Ų1947.7 Ų47.710%0.10224%0.24CC..SBendtrans-142.7153.2179.5-171.29.4000108E197 Y227 L228 Y231 E237 V238E197-N233 PolarHBondContact OE2-ND2 3.3Å; Y227-N233 VanDerWaalsContact CD1-O 3.24Å; Y227-N233 WeakPolarHBondContact CD1-O 3.2Å; Y227-N233 HydrophobicContact CE1-CB 4.43Å; L228-N233 WeakPolarHBondContact CA-O 3.23Å; Y231-N233 PolarHBondContact O-N 2.8Å; Y231-N233 VanDerWaalsContact O-N 3.13Å; N233-E237 VanDerWaalsContact OD1-CB 3.28Å; N233-E237 WeakPolarHBondContact OD1-CB 3.25Å; N233-E237 PolarHBondContact OD1-OE2 3.19Å; N233-E237 VanDerWaalsContact OD1-OE2 3.13Å; N233-V238 VanDerWaalsContact ND2-CG2 3.26Å; N233-V238 WeakPolarHBondContact ND2-CG2 3.49Å
234T95.9Very high97.5Very high25 Ų2551.4 Ų51.415%0.15327%0.266CS..  trans-92.9149.1177.566.40000110.9W224 L228 V236 E237 V238W224-T234 HydrophobicContact CZ2-CG2 4.06Å; L228-T234 HydrophobicContact CD1-CG2 4.08Å; T234-V236 PolarHBondContact O-N 2.87Å; T234-E237 PolarHBondContact O-N 2.81Å; T234-E237 VanDerWaalsContact O-N 3.15Å; T234-E237 WeakPolarHBondContact OG1-CB 3.33Å; T234-E237 VanDerWaalsContact OG1-CG 3.31Å; T234-E237 WeakPolarHBondContact OG1-CG 3.33Å; T234-E237 PolarHBondContact OG1-N 3.44Å; T234-E237 VanDerWaalsContact OG1-N 3.16Å; T234-V238 WeakPolarHBondContact O-CG2 3.22Å; T234-V238 PolarHBondContact O-N 3.34Å
235I96.5Very high97.6Very high4 Ų453.3 Ų53.32%0.02128%0.277CS..Hα-helixtrans-60.5-33.2175.7-167.5174.2000111.8L192 F208 L212 I223 W224 V238 I239 I255L192-I235 HydrophobicContact CD1-CD1 3.73Å; L192-I235 HydrophobicContact CD2-CD1 4.42Å; F208-I235 HydrophobicContact CE1-CD1 4.36Å; F208-I235 HydrophobicContact CE1-CG1 4.13Å; L212-I235 HydrophobicContact CD1-CD1 4.4Å; L212-I235 HydrophobicContact CD2-CD1 4.1Å; I223-I235 HydrophobicContact CG2-CD1 4.31Å; W224-I235 HydrophobicContact CD2-CG2 4.35Å; W224-I235 HydrophobicContact CE3-CG2 3.42Å; W224-I235 VanDerWaalsContact CE3-CG2 3.42Å; W224-I235 HydrophobicContact CZ3-CG2 3.7Å; I235-V238 PolarHBondContact O-N 3.35Å; I235-I239 HydrophobicContact CG1-CD1 3.96Å; I235-I239 HydrophobicContact CG1-CG1 4.44Å; I235-I239 WeakPolarHBondContact O-CB 3.36Å; I235-I239 WeakPolarHBondContact O-CD1 3.24Å; I235-I239 VanDerWaalsContact O-CG1 3.23Å; I235-I239 WeakPolarHBondContact O-CG1 3.47Å; I235-I239 PolarHBondContact O-N 3.19Å; I235-I255 HydrophobicContact CD1-CD1 4.27Å; I235-I255 HydrophobicContact CG1-CD1 4.42Å; I235-I255 HydrophobicContact CG2-CD1 3.99Å
236V95.8Very high97.7Very high32 Ų3252 Ų5219%0.19427%0.272CS..Hα-helixtrans-65-41.1175.4160.30000111.8W224 T234 I239 S240 I255W224-V236 HydrophobicContact CH2-CB 4.04Å; W224-V236 HydrophobicContact CH2-CG2 3.85Å; W224-V236 HydrophobicContact CZ3-CB 4.04Å; W224-V236 HydrophobicContact CZ3-CG2 3.47Å; W224-V236 VanDerWaalsContact CZ3-CG2 3.47Å; T234-V236 PolarHBondContact O-N 2.87Å; V236-I239 PolarHBondContact O-N 2.98Å; V236-S240 VanDerWaalsContact O-CB 3.28Å; V236-S240 WeakPolarHBondContact O-CB 3.34Å; V236-S240 PolarHBondContact O-N 3.46Å; V236-S240 PolarHBondContact O-OG 3.22Å; V236-I255 HydrophobicContact CG2-CG2 4.37Å
237E96.8Very high97.7Very high90 Ų9051.1 Ų51.142%0.42127%0.267SS..Hα-helixtrans-65.6-40.7173.9-80.7180-131.900112.3N233 T234 S240 K241N233-E237 VanDerWaalsContact OD1-CB 3.28Å; N233-E237 WeakPolarHBondContact OD1-CB 3.25Å; N233-E237 PolarHBondContact OD1-OE2 3.19Å; N233-E237 VanDerWaalsContact OD1-OE2 3.13Å; T234-E237 PolarHBondContact O-N 2.81Å; T234-E237 VanDerWaalsContact O-N 3.15Å; T234-E237 WeakPolarHBondContact OG1-CB 3.33Å; T234-E237 VanDerWaalsContact OG1-CG 3.31Å; T234-E237 WeakPolarHBondContact OG1-CG 3.33Å; T234-E237 PolarHBondContact OG1-N 3.44Å; T234-E237 VanDerWaalsContact OG1-N 3.16Å; E237-S240 PolarHBondContact O-N 2.98Å; E237-K241 VanDerWaalsContact O-CG 3.32Å; E237-K241 WeakPolarHBondContact O-CG 3.4Å; E237-K241 PolarHBondContact O-N 3.34Å; E237-K241 IonicContact OE2-NZ 3.59Å; E237-K241 PolarHBondContact OE2-NZ 2.87Å
238V98.3Very high97.7Very high2 Ų255 Ų551%0.01228%0.282CS..Hα-helixtrans-60.8-49.8175.7176.20000110.2E197 F208 Y227 N233 T234 I235 S240 K241 K242E197-V238 HydrophobicContact CB-CG1 4.4Å; E197-V238 HydrophobicContact CB-CG2 4.34Å; F208-V238 HydrophobicContact CZ-CG1 4.17Å; Y227-V238 HydrophobicContact CE1-CG2 3.86Å; Y227-V238 WeakPolarHBondContact OH-CG2 3.19Å; N233-V238 VanDerWaalsContact ND2-CG2 3.26Å; N233-V238 WeakPolarHBondContact ND2-CG2 3.49Å; T234-V238 WeakPolarHBondContact O-CG2 3.22Å; T234-V238 PolarHBondContact O-N 3.34Å; I235-V238 PolarHBondContact O-N 3.35Å; V238-S240 PolarHBondContact O-N 3.03Å; V238-K241 PolarHBondContact O-N 3.31Å; V238-K242 HydrophobicContact CG1-CG 4.15Å; V238-K242 VanDerWaalsContact O-CB 3.29Å; V238-K242 WeakPolarHBondContact O-CB 2.91Å; V238-K242 VanDerWaalsContact O-CG 3.23Å; V238-K242 WeakPolarHBondContact O-CG 3.24Å; V238-K242 PolarHBondContact O-N 3.23Å
239I98.6Very high97.7Very high0 Ų052.8 Ų52.80%027%0.272CS..Hα-helixtrans-56.2-43.8176-72.5161.6000110F208 L212 I235 V236 K241 K242 F243 R248 L251 N252 I255F208-I239 HydrophobicContact CD1-CD1 4.23Å; F208-I239 HydrophobicContact CD1-CG1 3.88Å; F208-I239 HydrophobicContact CE1-CD1 4.13Å; F208-I239 HydrophobicContact CE1-CG1 3.57Å; L212-I239 HydrophobicContact CD1-CD1 4.33Å; I235-I239 HydrophobicContact CG1-CD1 3.96Å; I235-I239 HydrophobicContact CG1-CG1 4.44Å; I235-I239 WeakPolarHBondContact O-CB 3.36Å; I235-I239 WeakPolarHBondContact O-CD1 3.24Å; I235-I239 VanDerWaalsContact O-CG1 3.23Å; I235-I239 WeakPolarHBondContact O-CG1 3.47Å; I235-I239 PolarHBondContact O-N 3.19Å; V236-I239 PolarHBondContact O-N 2.98Å; I239-K241 VanDerWaalsContact C-N 3.3Å; I239-K241 PolarHBondContact O-N 3.28Å; I239-K242 PolarHBondContact O-N 2.83Å; I239-F243 HydrophobicContact CB-CD2 4.35Å; I239-F243 HydrophobicContact CG1-CD2 4.38Å; I239-F243 HydrophobicContact CG1-CE2 4.48Å; I239-F243 HydrophobicContact CG2-CD2 4.16Å; I239-F243 PolarHBondContact O-N 3.09Å; I239-F243 VanDerWaalsContact O-N 3.08Å; I239-R248 HydrophobicContact CG2-CG 4.1Å; I239-L251 HydrophobicContact CD1-CB 4.1Å; I239-L251 HydrophobicContact CD1-CD1 4.45Å; I239-L251 HydrophobicContact CG1-CD1 4.24Å; I239-L251 HydrophobicContact CG2-CB 3.9Å; I239-L251 HydrophobicContact CG2-CD1 4.07Å; I239-N252 WeakPolarHBondContact CB-OD1 3.4Å; I239-N252 WeakPolarHBondContact CG2-OD1 3.33Å; I239-I255 HydrophobicContact CD1-CD1 3.34Å
240S97.6Very high97.7Very high44 Ų4449.6 Ų49.631%0.30825%0.246SC..Hα-helixtrans-65.6-32.3-176.7-59.10000114.1V236 E237 V238 R248 N252V236-S240 VanDerWaalsContact O-CB 3.28Å; V236-S240 WeakPolarHBondContact O-CB 3.34Å; V236-S240 PolarHBondContact O-N 3.46Å; V236-S240 PolarHBondContact O-OG 3.22Å; E237-S240 PolarHBondContact O-N 2.98Å; V238-S240 PolarHBondContact O-N 3.03Å; S240-R248 VanDerWaalsContact CA-CD 3.5Å; S240-R248 WeakPolarHBondContact O-CD 3.28Å; S240-N252 PolarHBondContact OG-ND2 3.06Å
241K97.7Very high97.8Very high143 Ų14344.8 Ų44.862%0.62223%0.225SC*.Hα-helixtrans-83.6-30.2177.8-70.2164.9-176158.80112.8E237 V238 I239E237-K241 VanDerWaalsContact O-CG 3.32Å; E237-K241 WeakPolarHBondContact O-CG 3.4Å; E237-K241 PolarHBondContact O-N 3.34Å; E237-K241 IonicContact OE2-NZ 3.59Å; E237-K241 PolarHBondContact OE2-NZ 2.87Å; V238-K241 PolarHBondContact O-N 3.31Å; I239-K241 VanDerWaalsContact C-N 3.3Å; I239-K241 PolarHBondContact O-N 3.28Å
242K98.3Very high97.8Very high42 Ų4244.2 Ų44.218%0.18323%0.225CC..Hα-helixtrans-101.1-19.1-167.5-66.2-69.7175.7164.90114.8G196 E197 R199 G201 G203 V238 I239G196-K242 WeakPolarHBondContact O-CD 3.41Å; G196-K242 WeakPolarHBondContact O-CE 3.45Å; G196-K242 PolarHBondContact O-NZ 2.99Å; G196-K242 VanDerWaalsContact O-NZ 3.11Å; E197-K242 PolarHBondContact O-NZ 2.96Å; R199-K242 PolarHBondContact O-NZ 2.91Å; G201-K242 WeakPolarHBondContact O-CD 3.33Å; G203-K242 PolarHBondContact N-O 2.98Å; G203-K242 VanDerWaalsContact N-O 3.17Å; V238-K242 HydrophobicContact CG1-CG 4.15Å; V238-K242 VanDerWaalsContact O-CB 3.29Å; V238-K242 WeakPolarHBondContact O-CB 2.91Å; V238-K242 VanDerWaalsContact O-CG 3.23Å; V238-K242 WeakPolarHBondContact O-CG 3.24Å; V238-K242 PolarHBondContact O-N 3.23Å; I239-K242 PolarHBondContact O-N 2.83Å
243F98.5Very high97.9Very high18 Ų1837.2 Ų37.28%0.07919%0.193CC..  trans-125.9151.2-174.6-60.6-63.4000112.1G203 F208 I239 F247 R248 L251G203-F243 WeakPolarHBondContact O-CE1 3.35Å; F208-F243 HydrophobicContact CB-CE2 4.48Å; F208-F243 HydrophobicContact CB-CZ 4.39Å; F208-F243 AromaticContact CD1-CE2 3.94Å; F208-F243 HydrophobicContact CD1-CE2 3.94Å; F208-F243 AromaticContact CD2-CE2 3.84Å; F208-F243 HydrophobicContact CD2-CE2 3.84Å; F208-F243 AromaticContact CD2-CZ 3.68Å; F208-F243 HydrophobicContact CD2-CZ 3.68Å; F208-F243 HydrophobicContact CE1-CE2 4.1Å; F208-F243 AromaticContact CE2-CE2 3.98Å; F208-F243 HydrophobicContact CE2-CE2 3.98Å; F208-F243 HydrophobicContact CE2-CZ 4.03Å; F208-F243 AromaticContact CG-CE2 3.81Å; F208-F243 HydrophobicContact CG-CE2 3.81Å; F208-F243 AromaticContact CG-CZ 3.94Å; F208-F243 HydrophobicContact CG-CZ 3.94Å; F208-F243 HydrophobicContact CZ-CE2 4.12Å; I239-F243 HydrophobicContact CB-CD2 4.35Å; I239-F243 HydrophobicContact CG1-CD2 4.38Å; I239-F243 HydrophobicContact CG1-CE2 4.48Å; I239-F243 HydrophobicContact CG2-CD2 4.16Å; I239-F243 PolarHBondContact O-N 3.09Å; I239-F243 VanDerWaalsContact O-N 3.08Å; F243-F247 HydrophobicContact CB-CD1 3.85Å; F243-F247 HydrophobicContact CB-CE1 4.23Å; F243-F247 AromaticContact CD1-CD1 3.79Å; F243-F247 HydrophobicContact CD1-CD1 3.79Å; F243-F247 AromaticContact CD1-CE1 3.47Å; F243-F247 HydrophobicContact CD1-CE1 3.47Å; F243-F247 VanDerWaalsContact CD1-CE1 3.47Å; F243-F247 HydrophobicContact CD2-CE1 4.18Å; F243-F247 HydrophobicContact CE1-CD1 4.5Å; F243-F247 AromaticContact CE1-CE1 3.75Å; F243-F247 HydrophobicContact CE1-CE1 3.75Å; F243-F247 HydrophobicContact CE2-CE1 4.45Å; F243-F247 AromaticContact CG-CD1 3.84Å; F243-F247 HydrophobicContact CG-CD1 3.84Å; F243-F247 AromaticContact CG-CE1 3.69Å; F243-F247 HydrophobicContact CG-CE1 3.69Å; F243-F247 HydrophobicContact CZ-CE1 4.24Å; F243-R248 HydrophobicContact CB-CB 4.2Å; F243-R248 WeakPolarHBondContact O-CD 3.45Å; F243-L251 HydrophobicContact CD2-CD1 3.98Å; F243-L251 HydrophobicContact CE2-CD1 4.14Å
244S97.9Very high98Very high79 Ų7936.4 Ų36.455%0.55219%0.189SC*.  trans-98.6162.4177.658.60000111.7F247 R248S244-F247 PolarHBondContact O-N 3.06Å; S244-R248 PolarHBondContact O-N 3.48Å
245E98.5Very high98.1Very high90 Ų9035.2 Ų35.242%0.42118%0.182SC..THydrogen-bonded Turntrans-65.9154.6170.6-63.5-56.4165.100112.6F247 R248 S249E245-F247 VanDerWaalsContact C-N 3.33Å; E245-R248 IonicContact OE1-CZ 3.07Å; E245-R248 IonicContact OE1-NE 2.71Å; E245-R248 PolarHBondContact OE1-NE 2.78Å; E245-R248 IonicContact OE1-NH2 2.86Å; E245-R248 PolarHBondContact OE1-NH2 3.26Å; E245-S249 WeakPolarHBondContact OE2-CB 3.49Å; E245-S249 PolarHBondContact OE2-N 3.39Å
246P98.2Very high98.1Very high39 Ų3937.7 Ų37.725%0.25319%0.194SC..THydrogen-bonded Turncis-83.3-0.5-5.833.5-36.7000114.7P104 N108 Y147 S249 G250P104-P246 HydrophobicContact CB-CB 3.3Å; P104-P246 HydrophobicContact CB-CG 3.96Å; P104-P246 HydrophobicContact CG-CB 3.86Å; P104-P246 HydrophobicContact CG-CG 4.11Å; N108-P246 PolarHBondContact ND2-O 3.3Å; Y147-P246 HydrophobicContact CD1-CB 4.32Å; Y147-P246 HydrophobicContact CD1-CG 3.41Å; Y147-P246 VanDerWaalsContact CD1-CG 3.41Å; Y147-P246 HydrophobicContact CD2-CB 4.45Å; Y147-P246 HydrophobicContact CD2-CG 4.13Å; Y147-P246 HydrophobicContact CE1-CB 4.11Å; Y147-P246 HydrophobicContact CE1-CG 3.6Å; Y147-P246 HydrophobicContact CE2-CB 4.26Å; Y147-P246 HydrophobicContact CE2-CG 4.29Å; Y147-P246 HydrophobicContact CG-CB 4.46Å; Y147-P246 HydrophobicContact CG-CG 3.67Å; P246-S249 PolarHBondContact O-N 3.2Å; P246-G250 PolarHBondContact O-N 2.91Å; P246-G250 VanDerWaalsContact O-N 3.08Å
247F98.8Very high98.2Very high5 Ų536.8 Ų36.82%0.02219%0.19CC..Hα-helixtrans-64.5-40.7-177.7177.6-117000112.8P146 Y147 L150 I209 F243 S244 E245 G250 L251P146-F247 HydrophobicContact CB-CD2 4.42Å; P146-F247 HydrophobicContact CB-CE1 4.47Å; P146-F247 HydrophobicContact CB-CE2 4.34Å; P146-F247 HydrophobicContact CB-CZ 4.36Å; P146-F247 HydrophobicContact CG-CB 4.38Å; P146-F247 HydrophobicContact CG-CD1 3.82Å; P146-F247 HydrophobicContact CG-CD2 4.31Å; P146-F247 HydrophobicContact CG-CE1 4.13Å; P146-F247 HydrophobicContact CG-CG 3.92Å; P146-F247 HydrophobicContact CG-CZ 4.47Å; Y147-F247 HydrophobicContact CD2-CB 4.36Å; L150-F247 HydrophobicContact CB-CD2 4.08Å; L150-F247 HydrophobicContact CB-CE2 3.89Å; L150-F247 HydrophobicContact CD2-CD2 3.93Å; L150-F247 HydrophobicContact CD2-CE2 4.06Å; L150-F247 HydrophobicContact CG-CE2 4.47Å; I209-F247 HydrophobicContact CD1-CE2 3.76Å; I209-F247 HydrophobicContact CD1-CZ 4Å; I209-F247 HydrophobicContact CG1-CE2 3.74Å; I209-F247 HydrophobicContact CG1-CZ 3.89Å; F243-F247 HydrophobicContact CB-CD1 3.85Å; F243-F247 HydrophobicContact CB-CE1 4.23Å; F243-F247 AromaticContact CD1-CD1 3.79Å; F243-F247 HydrophobicContact CD1-CD1 3.79Å; F243-F247 AromaticContact CD1-CE1 3.47Å; F243-F247 HydrophobicContact CD1-CE1 3.47Å; F243-F247 VanDerWaalsContact CD1-CE1 3.47Å; F243-F247 HydrophobicContact CD2-CE1 4.18Å; F243-F247 HydrophobicContact CE1-CD1 4.5Å; F243-F247 AromaticContact CE1-CE1 3.75Å; F243-F247 HydrophobicContact CE1-CE1 3.75Å; F243-F247 HydrophobicContact CE2-CE1 4.45Å; F243-F247 AromaticContact CG-CD1 3.84Å; F243-F247 HydrophobicContact CG-CD1 3.84Å; F243-F247 AromaticContact CG-CE1 3.69Å; F243-F247 HydrophobicContact CG-CE1 3.69Å; F243-F247 HydrophobicContact CZ-CE1 4.24Å; S244-F247 PolarHBondContact O-N 3.06Å; E245-F247 VanDerWaalsContact C-N 3.33Å; F247-G250 PolarHBondContact O-N 3.4Å; F247-L251 HydrophobicContact CD1-CD1 4.22Å; F247-L251 HydrophobicContact CD2-CG 4.38Å; F247-L251 HydrophobicContact CE1-CD1 3.59Å; F247-L251 HydrophobicContact CE1-CG 4.33Å; F247-L251 HydrophobicContact CE2-CD1 4.06Å; F247-L251 HydrophobicContact CE2-CD2 4.16Å; F247-L251 HydrophobicContact CE2-CG 3.96Å; F247-L251 HydrophobicContact CZ-CD1 3.52Å; F247-L251 HydrophobicContact CZ-CD2 4.22Å; F247-L251 HydrophobicContact CZ-CG 3.94Å; F247-L251 PolarHBondContact O-N 3.23Å
248R98.7Very high98.2Very high83 Ų8333.8 Ų33.831%0.31318%0.176SC..Hα-helixtrans-54.7-53.4174.5177.7-178.460.1176.710.7111.8I239 S240 F243 S244 E245 L251 N252I239-R248 HydrophobicContact CG2-CG 4.1Å; S240-R248 VanDerWaalsContact CA-CD 3.5Å; S240-R248 WeakPolarHBondContact O-CD 3.28Å; F243-R248 HydrophobicContact CB-CB 4.2Å; F243-R248 WeakPolarHBondContact O-CD 3.45Å; S244-R248 PolarHBondContact O-N 3.48Å; E245-R248 IonicContact OE1-CZ 3.07Å; E245-R248 IonicContact OE1-NE 2.71Å; E245-R248 PolarHBondContact OE1-NE 2.78Å; E245-R248 IonicContact OE1-NH2 2.86Å; E245-R248 PolarHBondContact OE1-NH2 3.26Å; R248-L251 PolarHBondContact O-N 2.57Å; R248-N252 PolarHBondContact O-N 3.04Å; R248-N252 VanDerWaalsContact O-N 3.09Å
249S98.5Very high98.1Very high26 Ų2635.6 Ų35.618%0.18219%0.186CC..Hα-helixtrans-60.1-45.6177.7175.80000111.1N108 E245 P246 L251 N252 T253N108-S249 WeakPolarHBondContact ND2-CB 3.08Å; N108-S249 PolarHBondContact ND2-OG 2.92Å; E245-S249 WeakPolarHBondContact OE2-CB 3.49Å; E245-S249 PolarHBondContact OE2-N 3.39Å; P246-S249 PolarHBondContact O-N 3.2Å; S249-L251 PolarHBondContact O-N 3.35Å; S249-N252 PolarHBondContact O-N 3.01Å; S249-N252 VanDerWaalsContact O-N 3.15Å; S249-T253 WeakPolarHBondContact O-CB 3.33Å; S249-T253 PolarHBondContact O-N 2.96Å; S249-T253 PolarHBondContact O-OG1 3.24Å
250G98.8Very high97.9Very high0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-57-45.2178.700000113.7N108 C112 P246 F247 M254N108-G250 PolarHBondContact ND2-N 3.48Å; N108-G250 VanDerWaalsContact ND2-N 3.17Å; N108-G250 WeakPolarHBondContact OD1-CA 3.47Å; C112-G250 PolarHBondContact SG-O 3.44Å; P246-G250 PolarHBondContact O-N 2.91Å; P246-G250 VanDerWaalsContact O-N 3.08Å; F247-G250 PolarHBondContact O-N 3.4Å; G250-M254 WeakPolarHBondContact O-CB 3.2Å; G250-M254 PolarHBondContact O-N 2.87Å; G250-M254 VanDerWaalsContact O-N 3.08Å
251L98.8Very high97.9Very high0 Ų039.4 Ų39.40%020%0.202CC..Hα-helixtrans-63.1-46.5175.5-73.3-179.5000112.3L150 F208 L212 I239 F243 F247 R248 S249 M254 I255L150-L251 HydrophobicContact CD1-CD2 3.94Å; L150-L251 HydrophobicContact CD2-CD2 4.11Å; L150-L251 HydrophobicContact CD2-CG 4.27Å; F208-L251 HydrophobicContact CB-CD1 4.26Å; F208-L251 HydrophobicContact CD1-CD1 4.32Å; L212-L251 HydrophobicContact CD1-CD2 4.09Å; I239-L251 HydrophobicContact CD1-CB 4.1Å; I239-L251 HydrophobicContact CD1-CD1 4.45Å; I239-L251 HydrophobicContact CG1-CD1 4.24Å; I239-L251 HydrophobicContact CG2-CB 3.9Å; I239-L251 HydrophobicContact CG2-CD1 4.07Å; F243-L251 HydrophobicContact CD2-CD1 3.98Å; F243-L251 HydrophobicContact CE2-CD1 4.14Å; F247-L251 HydrophobicContact CD1-CD1 4.22Å; F247-L251 HydrophobicContact CD2-CG 4.38Å; F247-L251 HydrophobicContact CE1-CD1 3.59Å; F247-L251 HydrophobicContact CE1-CG 4.33Å; F247-L251 HydrophobicContact CE2-CD1 4.06Å; F247-L251 HydrophobicContact CE2-CD2 4.16Å; F247-L251 HydrophobicContact CE2-CG 3.96Å; F247-L251 HydrophobicContact CZ-CD1 3.52Å; F247-L251 HydrophobicContact CZ-CD2 4.22Å; F247-L251 HydrophobicContact CZ-CG 3.94Å; F247-L251 PolarHBondContact O-N 3.23Å; R248-L251 PolarHBondContact O-N 2.57Å; S249-L251 PolarHBondContact O-N 3.35Å; L251-M254 HydrophobicContact CD2-CE 3.8Å; L251-M254 PolarHBondContact O-N 3.4Å; L251-I255 WeakPolarHBondContact O-CG1 3.33Å; L251-I255 PolarHBondContact O-N 2.89Å; L251-I255 VanDerWaalsContact O-N 3.08Å
252N98.4Very high97.9Very high25 Ų2538 Ų3813%0.13419%0.193CC..Hα-helixtrans-65.4-45.2-179.5-77-15000111.6I239 S240 R248 S249 M254 I255 M256I239-N252 WeakPolarHBondContact CB-OD1 3.4Å; I239-N252 WeakPolarHBondContact CG2-OD1 3.33Å; S240-N252 PolarHBondContact OG-ND2 3.06Å; R248-N252 PolarHBondContact O-N 3.04Å; R248-N252 VanDerWaalsContact O-N 3.09Å; S249-N252 PolarHBondContact O-N 3.01Å; S249-N252 VanDerWaalsContact O-N 3.15Å; N252-M254 VanDerWaalsContact C-N 3.32Å; N252-M254 PolarHBondContact O-N 3.46Å; N252-I255 PolarHBondContact O-N 3.47Å; N252-M256 WeakPolarHBondContact O-CB 3.5Å; N252-M256 VanDerWaalsContact O-CG 3.26Å; N252-M256 WeakPolarHBondContact O-CG 3.33Å; N252-M256 PolarHBondContact O-N 3.34Å
253T98.6Very high97.9Very high15 Ų1537.3 Ų37.39%0.09219%0.191CC..Hα-helixtrans-57.9-44.9176.3-59.80000111.2C112 S249 I255 M256 A257 L264C112-T253 HydrophobicContact CB-CG2 4.05Å; S249-T253 WeakPolarHBondContact O-CB 3.33Å; S249-T253 PolarHBondContact O-N 2.96Å; S249-T253 PolarHBondContact O-OG1 3.24Å; T253-I255 PolarHBondContact O-N 3.35Å; T253-M256 PolarHBondContact O-N 2.97Å; T253-A257 WeakPolarHBondContact O-CB 3.43Å; T253-A257 PolarHBondContact O-N 2.63Å; T253-L264 HydrophobicContact CG2-CD2 4.02Å
254M98.6Very high97.9Very high2 Ų237.1 Ų37.11%0.0119%0.191CC..Hα-helixtrans-60-46.7176.4178-178.354.500112.2C112 L150 L154 R159 L212 T213 G250 L251 N252 A257 L258C112-M254 HydrophobicContact CB-CB 4Å; C112-M254 WeakPolarHBondContact O-CA 3.29Å; L150-M254 HydrophobicContact CD1-CE 4.17Å; L150-M254 HydrophobicContact CD1-SD 4.42Å; L154-M254 HydrophobicContact CD1-SD 4.41Å; L154-M254 HydrophobicContact CD2-SD 3.81Å; R159-M254 PolarHBondContact NH2-SD 2.84Å; L212-M254 HydrophobicContact CB-CE 3.4Å; L212-M254 VanDerWaalsContact CB-CE 3.4Å; L212-M254 HydrophobicContact CD1-CE 4.26Å; L212-M254 HydrophobicContact CG-CE 4.46Å; L212-M254 VanDerWaalsContact O-SD 3.38Å; T213-M254 HydrophobicContact CG2-SD 4.25Å; G250-M254 WeakPolarHBondContact O-CB 3.2Å; G250-M254 PolarHBondContact O-N 2.87Å; G250-M254 VanDerWaalsContact O-N 3.08Å; L251-M254 HydrophobicContact CD2-CE 3.8Å; L251-M254 PolarHBondContact O-N 3.4Å; N252-M254 VanDerWaalsContact C-N 3.32Å; N252-M254 PolarHBondContact O-N 3.46Å; M254-A257 PolarHBondContact O-N 3.03Å; M254-L258 HydrophobicContact CG-CD1 4.38Å; M254-L258 WeakPolarHBondContact O-CG 3.18Å; M254-L258 PolarHBondContact O-N 3.39Å; M254-L258 VanDerWaalsContact O-N 3.1Å
255I98.1Very high97.9Very high0 Ų034.1 Ų34.10%017%0.168CC..Hα-helixtrans-62-47.9177.8-68.6169.1000110.1L212 W224 I235 V236 I239 L251 N252 T253 A257 L258 M259L212-I255 HydrophobicContact CD1-CD1 3.91Å; L212-I255 HydrophobicContact CD1-CG1 4.34Å; L212-I255 HydrophobicContact CD2-CD1 4.37Å; L212-I255 HydrophobicContact CD2-CG1 4.36Å; W224-I255 HydrophobicContact CE3-CG2 3.85Å; W224-I255 HydrophobicContact CZ3-CG2 3.86Å; I235-I255 HydrophobicContact CD1-CD1 4.27Å; I235-I255 HydrophobicContact CG1-CD1 4.42Å; I235-I255 HydrophobicContact CG2-CD1 3.99Å; V236-I255 HydrophobicContact CG2-CG2 4.37Å; I239-I255 HydrophobicContact CD1-CD1 3.34Å; L251-I255 WeakPolarHBondContact O-CG1 3.33Å; L251-I255 PolarHBondContact O-N 2.89Å; L251-I255 VanDerWaalsContact O-N 3.08Å; N252-I255 PolarHBondContact O-N 3.47Å; T253-I255 PolarHBondContact O-N 3.35Å; I255-A257 VanDerWaalsContact C-N 3.33Å; I255-A257 PolarHBondContact O-N 3.48Å; I255-L258 PolarHBondContact O-N 3.46Å; I255-M259 HydrophobicContact CG2-CG 4.18Å; I255-M259 VanDerWaalsContact O-CG 3.31Å; I255-M259 WeakPolarHBondContact O-CG 3.44Å; I255-M259 PolarHBondContact O-N 2.59Å
256M96.9Very high97.9Very high57 Ų5729.9 Ų29.928%0.28115%0.148SC..Hα-helixtrans-61-41179.9-68.9-60.1-67.200112.1N252 T253 L258 M259 D260 L264N252-M256 WeakPolarHBondContact O-CB 3.5Å; N252-M256 VanDerWaalsContact O-CG 3.26Å; N252-M256 WeakPolarHBondContact O-CG 3.33Å; N252-M256 PolarHBondContact O-N 3.34Å; T253-M256 PolarHBondContact O-N 2.97Å; M256-L258 VanDerWaalsContact C-N 3.33Å; M256-L258 PolarHBondContact O-N 3.3Å; M256-M259 PolarHBondContact O-N 2.84Å; M256-D260 CarbonylContact O-C 3.54Å; M256-D260 VanDerWaalsContact O-C 3.3Å; M256-D260 PolarHBondContact O-N 3.5Å; M256-L264 HydrophobicContact CB-CB 4.37Å; M256-L264 HydrophobicContact CB-CD1 4.06Å; M256-L264 HydrophobicContact CB-CD2 4.3Å; M256-L264 HydrophobicContact CB-CG 4.48Å
257A97.8Very high97.9Very high13 Ų1330 Ų3011%0.10715%0.15CC..Hα-helixtrans-62.3-40.2176.400000112C113 T253 M254 I255 L261 L264C113-A257 HydrophobicContact CB-CB 4.27Å; T253-A257 WeakPolarHBondContact O-CB 3.43Å; T253-A257 PolarHBondContact O-N 2.63Å; M254-A257 PolarHBondContact O-N 3.03Å; I255-A257 VanDerWaalsContact C-N 3.33Å; I255-A257 PolarHBondContact O-N 3.48Å; A257-L261 HydrophobicContact CB-CD1 4.22Å; A257-L261 PolarHBondContact O-N 3.06Å; A257-L264 HydrophobicContact CB-CD2 3.71Å
258L97Very high97.9Very high26 Ų2630.3 Ų30.314%0.13615%0.151CC..Hα-helixtrans-67-43.1175.1-68.3170.7000111.3K217 V220 M254 I255 M256K217-L258 HydrophobicContact CB-CD2 4.11Å; K217-L258 WeakPolarHBondContact CD-O 3.42Å; K217-L258 WeakPolarHBondContact CE-O 3.32Å; K217-L258 VanDerWaalsContact CG-O 3.28Å; K217-L258 WeakPolarHBondContact CG-O 3.42Å; K217-L258 PolarHBondContact NZ-O 3.37Å; V220-L258 HydrophobicContact CB-CD1 4.22Å; V220-L258 HydrophobicContact CG1-CD1 4.24Å; V220-L258 HydrophobicContact CG2-CD1 3.96Å; M254-L258 HydrophobicContact CG-CD1 4.38Å; M254-L258 WeakPolarHBondContact O-CG 3.18Å; M254-L258 PolarHBondContact O-N 3.39Å; M254-L258 VanDerWaalsContact O-N 3.1Å; I255-L258 PolarHBondContact O-N 3.46Å; M256-L258 VanDerWaalsContact C-N 3.33Å; M256-L258 PolarHBondContact O-N 3.3Å
259M95.1Very high97.9Very high41 Ų4126.3 Ų26.320%0.20214%0.136CC..Hα-helixtrans-69.3-59.1-178.5-64.2-5392.900111.5K217 V220 K221 W224 I255 M256K217-M259 PolarHBondContact NZ-O 3.11Å; V220-M259 HydrophobicContact CB-CE 4.04Å; V220-M259 HydrophobicContact CG1-CE 3.74Å; K221-M259 HydrophobicContact CB-CE 3.97Å; K221-M259 HydrophobicContact CB-SD 4Å; K221-M259 HydrophobicContact CD-SD 3.61Å; K221-M259 HydrophobicContact CG-SD 4.39Å; W224-M259 HydrophobicContact CB-SD 4.45Å; I255-M259 HydrophobicContact CG2-CG 4.18Å; I255-M259 VanDerWaalsContact O-CG 3.31Å; I255-M259 WeakPolarHBondContact O-CG 3.44Å; I255-M259 PolarHBondContact O-N 2.59Å; M256-M259 PolarHBondContact O-N 2.84Å
260D95.6Very high97.9Very high63 Ų6328.6 Ų28.634%0.33714%0.141SC..Hα-helixtrans-152.889.6-177.1-169-20.4000111.1M256 R262 L263 L264M256-D260 CarbonylContact O-C 3.54Å; M256-D260 VanDerWaalsContact O-C 3.3Å; M256-D260 PolarHBondContact O-N 3.5Å; D260-R262 VanDerWaalsContact C-N 3.26Å; D260-R262 PolarHBondContact O-N 2.8Å; D260-R262 PolarHBondContact OD1-N 3.03Å; D260-L263 HydrophobicContact CB-CB 3.91Å; D260-L263 VanDerWaalsContact CG-CB 3.46Å; D260-L263 PolarHBondContact O-N 3.43Å; D260-L263 PolarHBondContact OD1-N 3.22Å; D260-L264 PolarHBondContact O-N 3.35Å
261L97.2Very high97.8Very high60 Ų6032.8 Ų32.831%0.31416%0.164SC..Hα-helixtrans-58.7-35.4177-179.361.4000112.6C113 A257 L264 L265C113-L261 HydrophobicContact CB-CD1 4.35Å; A257-L261 HydrophobicContact CB-CD1 4.22Å; A257-L261 PolarHBondContact O-N 3.06Å; L261-L264 HydrophobicContact CD1-CD2 4.35Å; L261-L264 PolarHBondContact O-N 2.99Å; L261-L265 HydrophobicContact CD1-CG 4.28Å; L261-L265 HydrophobicContact CG-CD1 4.25Å; L261-L265 HydrophobicContact CG-CG 4.42Å; L261-L265 VanDerWaalsContact O-CG 3.25Å; L261-L265 WeakPolarHBondContact O-CG 3.43Å; L261-L265 PolarHBondContact O-N 2.91Å
262R97.5Very high97.7Very high114 Ų11432.9 Ų32.943%0.4317%0.165SC..Hα-helixtrans-68.8-42.9-178.8-72.5-175.8178.21444.7110.8D260 L264 L265 V266 D294 L298 M301D260-R262 VanDerWaalsContact C-N 3.26Å; D260-R262 PolarHBondContact O-N 2.8Å; D260-R262 PolarHBondContact OD1-N 3.03Å; R262-L264 VanDerWaalsContact C-N 3.32Å; R262-L265 PolarHBondContact O-N 3.22Å; R262-V266 VanDerWaalsContact O-CG2 3.3Å; R262-V266 WeakPolarHBondContact O-CG2 3.41Å; R262-V266 PolarHBondContact O-N 3.33Å; R262-D294 IonicContact CZ-OD2 2.8Å; R262-D294 IonicContact NE-OD2 2.9Å; R262-D294 PolarHBondContact NE-OD2 3.29Å; R262-D294 IonicContact NH2-OD2 3.3Å; R262-L298 HydrophobicContact CB-CD2 3.86Å; R262-L298 HydrophobicContact CG-CD2 4.01Å; R262-M301 HydrophobicContact CB-CE 3.91Å; R262-M301 HydrophobicContact CB-SD 3.81Å
263L97.9Very high97.7Very high28 Ų2832.6 Ų32.615%0.14716%0.162CC..Hα-helixtrans-62.2-42.5174.5-178.657.8000111.2D260 L265 V266 C267 M301 Y305D260-L263 HydrophobicContact CB-CB 3.91Å; D260-L263 VanDerWaalsContact CG-CB 3.46Å; D260-L263 PolarHBondContact O-N 3.43Å; D260-L263 PolarHBondContact OD1-N 3.22Å; L263-L265 PolarHBondContact O-N 3.03Å; L263-V266 WeakPolarHBondContact O-CB 3.25Å; L263-V266 PolarHBondContact O-N 3.06Å; L263-C267 PolarHBondContact O-N 2.99Å; L263-C267 PolarHBondContact O-SG 3.42Å; L263-C267 VanDerWaalsContact O-SG 3.37Å; L263-M301 HydrophobicContact CB-CE 3.99Å; L263-M301 HydrophobicContact CD1-CE 4.43Å; L263-Y305 HydrophobicContact CD1-CD1 4.07Å; L263-Y305 HydrophobicContact CD1-CD2 3.88Å; L263-Y305 HydrophobicContact CD1-CE1 3.79Å; L263-Y305 HydrophobicContact CD1-CE2 3.62Å; L263-Y305 HydrophobicContact CD1-CG 4.11Å; L263-Y305 HydrophobicContact CD2-CE1 4.47Å
264L98.4Very high97.5Very high13 Ų1339.3 Ų39.37%0.06819%0.187CC..Hα-helixtrans-57.7-47.4175175.862.1000112.1T253 M256 A257 D260 L261 R262 V266 C267 Q268T253-L264 HydrophobicContact CG2-CD2 4.02Å; M256-L264 HydrophobicContact CB-CB 4.37Å; M256-L264 HydrophobicContact CB-CD1 4.06Å; M256-L264 HydrophobicContact CB-CD2 4.3Å; M256-L264 HydrophobicContact CB-CG 4.48Å; A257-L264 HydrophobicContact CB-CD2 3.71Å; D260-L264 PolarHBondContact O-N 3.35Å; L261-L264 HydrophobicContact CD1-CD2 4.35Å; L261-L264 PolarHBondContact O-N 2.99Å; R262-L264 VanDerWaalsContact C-N 3.32Å; L264-V266 VanDerWaalsContact C-N 3.29Å; L264-V266 PolarHBondContact O-N 3.31Å; L264-C267 PolarHBondContact O-N 3.26Å; L264-Q268 HydrophobicContact CD1-CG 4.32Å; L264-Q268 WeakPolarHBondContact O-CG 3.45Å; L264-Q268 PolarHBondContact O-N 2.94Å
265L98.7Very high97.2Very high17 Ų1741.9 Ų41.99%0.08921%0.214CC..Hα-helixtrans-62.6-36.3177.8-67.4173.5000112L261 R262 L263 Q268 L269 I286 R290 L298L261-L265 HydrophobicContact CD1-CG 4.28Å; L261-L265 HydrophobicContact CG-CD1 4.25Å; L261-L265 HydrophobicContact CG-CG 4.42Å; L261-L265 VanDerWaalsContact O-CG 3.25Å; L261-L265 WeakPolarHBondContact O-CG 3.43Å; L261-L265 PolarHBondContact O-N 2.91Å; R262-L265 PolarHBondContact O-N 3.22Å; L263-L265 PolarHBondContact O-N 3.03Å; L265-Q268 PolarHBondContact O-N 3.19Å; L265-L269 WeakPolarHBondContact O-CG 3.41Å; L265-L269 PolarHBondContact O-N 2.96Å; L265-I286 HydrophobicContact CB-CG2 4.45Å; L265-I286 HydrophobicContact CD2-CD1 4.27Å; L265-I286 HydrophobicContact CD2-CG1 4.21Å; L265-R290 HydrophobicContact CD1-CG 4.33Å; L265-L298 HydrophobicContact CB-CD1 4.38Å; L265-L298 HydrophobicContact CD1-CD1 4.45Å
266V98.8Very high96.5Very high0 Ų050.7 Ų50.70%026%0.26CS..Hα-helixtrans-66-43.2175.6165.30000111.3R262 L263 L264 L269 Y270 L298 M301 Y302 F306R262-V266 VanDerWaalsContact O-CG2 3.3Å; R262-V266 WeakPolarHBondContact O-CG2 3.41Å; R262-V266 PolarHBondContact O-N 3.33Å; L263-V266 WeakPolarHBondContact O-CB 3.25Å; L263-V266 PolarHBondContact O-N 3.06Å; L264-V266 VanDerWaalsContact C-N 3.29Å; L264-V266 PolarHBondContact O-N 3.31Å; V266-L269 PolarHBondContact O-N 3.42Å; V266-Y270 PolarHBondContact O-N 2.6Å; V266-L298 HydrophobicContact CG2-CB 4.06Å; V266-L298 HydrophobicContact CG2-CD2 4Å; V266-M301 HydrophobicContact CG1-CB 4.44Å; V266-M301 HydrophobicContact CG2-CB 3.8Å; V266-Y302 HydrophobicContact CG1-CD2 4.18Å; V266-F306 HydrophobicContact CG1-CD2 4.28Å; V266-F306 HydrophobicContact CG1-CE2 3.61Å
267C98.3Very high96.1Very high41 Ų4150.6 Ų50.628%0.27727%0.274SS..Hα-helixtrans-63.3-42.1173.3-650000111.7L263 L264 L269 Y270 D271L263-C267 PolarHBondContact O-N 2.99Å; L263-C267 PolarHBondContact O-SG 3.42Å; L263-C267 VanDerWaalsContact O-SG 3.37Å; L264-C267 PolarHBondContact O-N 3.26Å; C267-L269 VanDerWaalsContact C-N 3.34Å; C267-L269 PolarHBondContact O-N 3.48Å; C267-Y270 WeakPolarHBondContact O-CB 3.31Å; C267-Y270 PolarHBondContact O-N 3.49Å; C267-Y270 VanDerWaalsContact O-N 3.14Å; C267-D271 WeakPolarHBondContact O-CB 3.28Å; C267-D271 VanDerWaalsContact O-CG 3.28Å; C267-D271 PolarHBondContact O-N 3.34Å
268Q98.4Very high95.9Very high12 Ų1251.2 Ų51.26%0.05628%0.276CS..Hα-helixtrans-64.1-37176.6-72169.5-3.500112.6E109 L264 L265 Y270 S272 T282 I286E109-Q268 HydrophobicContact CG-CG 4.38Å; L264-Q268 HydrophobicContact CD1-CG 4.32Å; L264-Q268 WeakPolarHBondContact O-CG 3.45Å; L264-Q268 PolarHBondContact O-N 2.94Å; L265-Q268 PolarHBondContact O-N 3.19Å; Q268-Y270 VanDerWaalsContact C-N 3.34Å; Q268-S272 VanDerWaalsContact O-CB 3.26Å; Q268-S272 WeakPolarHBondContact O-CB 3.48Å; Q268-S272 PolarHBondContact O-N 3.04Å; Q268-S272 PolarHBondContact O-OG 3.2Å; Q268-T282 HydrophobicContact CB-CG2 4.24Å; Q268-I286 HydrophobicContact CB-CD1 3.55Å
269L98.6Very high95.8Very high0 Ų053.8 Ų53.80%028%0.284CS..Hα-helixtrans-61.1-45171.5-78.6167.4000111L265 V266 C267 S272 M273 L283 I286 Y302 L310L265-L269 WeakPolarHBondContact O-CG 3.41Å; L265-L269 PolarHBondContact O-N 2.96Å; V266-L269 PolarHBondContact O-N 3.42Å; C267-L269 VanDerWaalsContact C-N 3.34Å; C267-L269 PolarHBondContact O-N 3.48Å; L269-S272 PolarHBondContact O-N 3.36Å; L269-S272 PolarHBondContact O-OG 3.42Å; L269-M273 WeakPolarHBondContact O-CE 3.44Å; L269-L283 HydrophobicContact CD2-CD1 3.77Å; L269-I286 HydrophobicContact CD1-CG2 3.85Å; L269-I286 HydrophobicContact CD2-CB 3.95Å; L269-I286 HydrophobicContact CD2-CD1 4.39Å; L269-I286 HydrophobicContact CD2-CG2 3.84Å; L269-I286 HydrophobicContact CG-CB 4.26Å; L269-I286 HydrophobicContact CG-CD1 4.12Å; L269-I286 HydrophobicContact CG-CG2 3.76Å; L269-Y302 HydrophobicContact CB-CD2 4.18Å; L269-Y302 HydrophobicContact CB-CE2 4.07Å; L269-L310 HydrophobicContact CB-CD1 4.37Å; L269-L310 HydrophobicContact CD1-CD1 4.36Å; L269-L310 HydrophobicContact CD1-CD2 3.93Å
270Y98.4Very high95.9Very high73 Ų7354.4 Ų54.429%0.28629%0.287SS..Hα-helixtrans-62.8-51.2178178-92.7000111.3V266 C267 Q268 S272 M273 Y274 Y302 F306V266-Y270 PolarHBondContact O-N 2.6Å; C267-Y270 WeakPolarHBondContact O-CB 3.31Å; C267-Y270 PolarHBondContact O-N 3.49Å; C267-Y270 VanDerWaalsContact O-N 3.14Å; Q268-Y270 VanDerWaalsContact C-N 3.34Å; Y270-S272 PolarHBondContact O-N 2.67Å; Y270-M273 CarbonylContact O-C 3.44Å; Y270-M273 PolarHBondContact O-N 2.9Å; Y270-Y274 HydrophobicContact CD1-CD2 4.42Å; Y270-Y274 AromaticContact CE1-CD2 3.44Å; Y270-Y274 HydrophobicContact CE1-CD2 3.44Å; Y270-Y274 VanDerWaalsContact CE1-CD2 3.44Å; Y270-Y274 HydrophobicContact CE1-CE2 4.08Å; Y270-Y274 AromaticContact CE1-CG 3.93Å; Y270-Y274 HydrophobicContact CE1-CG 3.93Å; Y270-Y274 AromaticContact CZ-CD2 3.5Å; Y270-Y274 VanDerWaalsContact CZ-CD2 3.5Å; Y270-Y274 AromaticContact CZ-CE2 3.99Å; Y270-Y274 WeakPolarHBondContact O-CB 3.34Å; Y270-Y274 PolarHBondContact O-N 3.48Å; Y270-Y274 VanDerWaalsContact OH-CD2 3.26Å; Y270-Y274 WeakPolarHBondContact OH-CD2 3.38Å; Y270-Y274 VanDerWaalsContact OH-CE2 3.29Å; Y270-Y274 WeakPolarHBondContact OH-CE2 3.49Å; Y270-Y302 HydrophobicContact CD2-CE2 4.43Å; Y270-F306 VanDerWaalsContact CB-CE2 3.41Å; Y270-F306 HydrophobicContact CD1-CD1 4.3Å; Y270-F306 AromaticContact CD1-CE1 3.89Å; Y270-F306 HydrophobicContact CD1-CE1 3.89Å; Y270-F306 HydrophobicContact CD1-CZ 4.15Å; Y270-F306 HydrophobicContact CD2-CB 3.94Å; Y270-F306 AromaticContact CD2-CD1 3.46Å; Y270-F306 HydrophobicContact CD2-CD1 3.46Å; Y270-F306 VanDerWaalsContact CD2-CD1 3.46Å; Y270-F306 AromaticContact CD2-CD2 3.71Å; Y270-F306 HydrophobicContact CD2-CD2 3.71Å; Y270-F306 AromaticContact CD2-CE1 3.81Å; Y270-F306 HydrophobicContact CD2-CE1 3.81Å; Y270-F306 HydrophobicContact CD2-CE2 4.03Å; Y270-F306 AromaticContact CD2-CG 3.41Å; Y270-F306 HydrophobicContact CD2-CG 3.41Å; Y270-F306 VanDerWaalsContact CD2-CG 3.41Å; Y270-F306 HydrophobicContact CD2-CZ 4.09Å; Y270-F306 HydrophobicContact CE1-CD1 4.44Å; Y270-F306 HydrophobicContact CE1-CE1 4.28Å; Y270-F306 HydrophobicContact CE2-CB 4.06Å; Y270-F306 AromaticContact CE2-CD1 3.63Å; Y270-F306 HydrophobicContact CE2-CD1 3.63Å; Y270-F306 HydrophobicContact CE2-CE1 4.21Å; Y270-F306 AromaticContact CE2-CG 3.84Å; Y270-F306 HydrophobicContact CE2-CG 3.84Å; Y270-F306 AromaticContact CG-CD1 3.82Å; Y270-F306 HydrophobicContact CG-CD1 3.82Å; Y270-F306 HydrophobicContact CG-CD2 4.03Å; Y270-F306 AromaticContact CG-CE1 3.64Å; Y270-F306 HydrophobicContact CG-CE1 3.64Å; Y270-F306 AromaticContact CG-CE2 3.85Å; Y270-F306 HydrophobicContact CG-CE2 3.85Å; Y270-F306 HydrophobicContact CG-CG 4.02Å; Y270-F306 AromaticContact CG-CZ 3.65Å; Y270-F306 HydrophobicContact CG-CZ 3.65Å
271D96.9Very high95.9Very high89 Ų8954.2 Ų54.248%0.47629%0.286SS..Hα-helixtrans-61-30.5179.3-68.4-17.2000112C267 M273 Y274C267-D271 WeakPolarHBondContact O-CB 3.28Å; C267-D271 VanDerWaalsContact O-CG 3.28Å; C267-D271 PolarHBondContact O-N 3.34Å; D271-M273 PolarHBondContact O-N 2.99Å; D271-Y274 PolarHBondContact O-N 3.31Å
272S97.5Very high95.9Very high2 Ų251.4 Ų51.41%0.01427%0.271CS..THydrogen-bonded Turntrans-67.8-17.4176.875.80000114.2Q268 L269 Y270 T278 R279Q268-S272 VanDerWaalsContact O-CB 3.26Å; Q268-S272 WeakPolarHBondContact O-CB 3.48Å; Q268-S272 PolarHBondContact O-N 3.04Å; Q268-S272 PolarHBondContact O-OG 3.2Å; L269-S272 PolarHBondContact O-N 3.36Å; L269-S272 PolarHBondContact O-OG 3.42Å; Y270-S272 PolarHBondContact O-N 2.67Å; S272-T278 CarbonylContact O-C 3.38Å; S272-T278 WeakPolarHBondContact O-CA 3.31Å; S272-T278 WeakPolarHBondContact O-CG2 3.43Å; S272-R279 PolarHBondContact O-N 3.4Å
273M97.7Very high96Very high18 Ų1846 Ų469%0.08925%0.25CS..THydrogen-bonded Turntrans-123.511.9179.6-60.7176.9-73.900111.7L269 Y270 D271 T278 L283 Y302 L310 A313 V314 D317L269-M273 WeakPolarHBondContact O-CE 3.44Å; Y270-M273 CarbonylContact O-C 3.44Å; Y270-M273 PolarHBondContact O-N 2.9Å; D271-M273 PolarHBondContact O-N 2.99Å; M273-T278 HydrophobicContact CG-CG2 4.41Å; M273-L283 HydrophobicContact CG-CD2 4.35Å; M273-L283 HydrophobicContact SD-CD1 4.38Å; M273-L283 HydrophobicContact SD-CD2 4.31Å; M273-Y302 HydrophobicContact CE-CE2 4.23Å; M273-L310 HydrophobicContact CE-CD1 3.73Å; M273-A313 HydrophobicContact CE-CB 3.92Å; M273-A313 HydrophobicContact SD-CB 4.17Å; M273-V314 HydrophobicContact CE-CG2 4.2Å; M273-V314 HydrophobicContact SD-CB 4.38Å; M273-V314 HydrophobicContact SD-CG2 3.69Å; M273-D317 VanDerWaalsContact CA-OD2 3.31Å; M273-D317 WeakPolarHBondContact CA-OD2 3.43Å; M273-D317 HydrophobicContact CB-CB 4.03Å; M273-D317 WeakPolarHBondContact CB-OD2 3.48Å; M273-D317 HydrophobicContact CG-CB 4.01Å; M273-D317 WeakPolarHBondContact CG-OD2 3.46Å; M273-D317 HydrophobicContact SD-CB 4.22Å
274Y94.9Very high96Very high157 Ų15745 Ų4562%0.61625%0.245SC*.SBendtrans-90.4126.3-177.3-177-99.3000111.1Y270 D271Y270-Y274 HydrophobicContact CD1-CD2 4.42Å; Y270-Y274 AromaticContact CE1-CD2 3.44Å; Y270-Y274 HydrophobicContact CE1-CD2 3.44Å; Y270-Y274 VanDerWaalsContact CE1-CD2 3.44Å; Y270-Y274 HydrophobicContact CE1-CE2 4.08Å; Y270-Y274 AromaticContact CE1-CG 3.93Å; Y270-Y274 HydrophobicContact CE1-CG 3.93Å; Y270-Y274 AromaticContact CZ-CD2 3.5Å; Y270-Y274 VanDerWaalsContact CZ-CD2 3.5Å; Y270-Y274 AromaticContact CZ-CE2 3.99Å; Y270-Y274 WeakPolarHBondContact O-CB 3.34Å; Y270-Y274 PolarHBondContact O-N 3.48Å; Y270-Y274 VanDerWaalsContact OH-CD2 3.26Å; Y270-Y274 WeakPolarHBondContact OH-CD2 3.38Å; Y270-Y274 VanDerWaalsContact OH-CE2 3.29Å; Y270-Y274 WeakPolarHBondContact OH-CE2 3.49Å; D271-Y274 PolarHBondContact O-N 3.31Å
275G91.6Very high96Very high55 Ų5544.6 Ų44.657%0.56724%0.243SC*.SBendtrans89.1-141.8174.700000112.7
276L83.3Confident96Very high185 Ų18543.9 Ų43.997%0.96924%0.239SC*.SBendtrans-95.1124.3-179.2-67.7177.9000110.5
277G87.9Confident96Very high55 Ų5544 Ų4457%0.56724%0.239SC*.SBendtrans84.4170.1-178.500000112.4
278T93.4Very high96.1Very high26 Ų2642.7 Ų42.716%0.1623%0.231CC..  trans-117.2149.7-178.5-47.50000108.7S272 M273 E280 L283 D317S272-T278 CarbonylContact O-C 3.38Å; S272-T278 WeakPolarHBondContact O-CA 3.31Å; S272-T278 WeakPolarHBondContact O-CG2 3.43Å; M273-T278 HydrophobicContact CG-CG2 4.41Å; T278-E280 WeakPolarHBondContact CB-OE1 3.49Å; T278-E280 HydrophobicContact CG2-CG 4.11Å; T278-L283 HydrophobicContact CG2-CD2 4.05Å; T278-D317 VanDerWaalsContact CB-OD2 3.31Å; T278-D317 WeakPolarHBondContact CB-OD2 3.5Å; T278-D317 VanDerWaalsContact CG2-OD2 3.27Å; T278-D317 WeakPolarHBondContact CG2-OD2 3.46Å; T278-D317 PolarHBondContact OG1-O 2.94Å; T278-D317 PolarHBondContact OG1-OD2 3.29Å
279R95.4Very high96.1Very high80 Ų8043.6 Ų43.630%0.30224%0.236SC..  trans-98.476.3167.2-63.217953.2-175.5-13.2108.4D105 E109 S272 D281 T282 L283D105-R279 VanDerWaalsContact CB-NH2 3.33Å; D105-R279 IonicContact OD2-CZ 2.9Å; D105-R279 IonicContact OD2-NH1 2.57Å; D105-R279 PolarHBondContact OD2-NH1 3.32Å; E109-R279 IonicContact OE1-CZ 2.68Å; E109-R279 IonicContact OE1-NH1 2.7Å; E109-R279 IonicContact OE1-NH2 2.74Å; E109-R279 PolarHBondContact OE1-NH2 2.92Å; E109-R279 IonicContact OE2-NH2 3.15Å; S272-R279 PolarHBondContact O-N 3.4Å; R279-D281 PolarHBondContact O-N 2.99Å; R279-T282 PolarHBondContact NH2-OG1 3.35Å; R279-T282 PolarHBondContact O-N 3Å; R279-L283 PolarHBondContact O-N 3.21Å
280E96.7Very high96.1Very high55 Ų5545.8 Ų45.826%0.25724%0.244SC..Hα-helixtrans-58.4-36.5-172.4-60.984.8175.700111.8D77 T278 T282 L283 I284 F322D77-E280 HydrophobicContact CB-CB 4.36Å; D77-E280 HydrophobicContact CB-CG 4.2Å; T278-E280 WeakPolarHBondContact CB-OE1 3.49Å; T278-E280 HydrophobicContact CG2-CG 4.11Å; E280-T282 VanDerWaalsContact C-N 3.29Å; E280-T282 PolarHBondContact O-N 3.37Å; E280-L283 PolarHBondContact O-N 2.75Å; E280-I284 HydrophobicContact CB-CD1 4.26Å; E280-I284 WeakPolarHBondContact O-CB 3.47Å; E280-I284 WeakPolarHBondContact O-CG1 3.47Å; E280-I284 PolarHBondContact O-N 2.74Å; E280-F322 HydrophobicContact CB-CE1 4.48Å; E280-F322 HydrophobicContact CB-CZ 4.14Å; E280-F322 HydrophobicContact CG-CE1 3.87Å; E280-F322 HydrophobicContact CG-CZ 4.04Å
281D96.1Very high96.1Very high59 Ų5942.3 Ų42.332%0.31623%0.23SC..Hα-helixtrans-51.4-47.9173.5-69.3-36.4000111K103 I106 R279 R285K103-D281 IonicContact NZ-OD2 2.88Å; K103-D281 PolarHBondContact NZ-OD2 3.3Å; I106-D281 HydrophobicContact CD1-CB 4.13Å; R279-D281 PolarHBondContact O-N 2.99Å; D281-R285 VanDerWaalsContact O-CB 3.28Å; D281-R285 WeakPolarHBondContact O-CB 3.49Å; D281-R285 PolarHBondContact O-N 3.17Å; D281-R285 VanDerWaalsContact O-N 3.13Å; D281-R285 PolarHBondContact O-NH1 3.42Å
282T98Very high96.2Very high1 Ų140.8 Ų40.81%0.00622%0.221CC..Hα-helixtrans-72.9-43.9-179.7-62.70000111.9E109 Q268 R279 E280 I284 R285 I286E109-T282 WeakPolarHBondContact OE2-CG2 3.31Å; E109-T282 PolarHBondContact OE2-OG1 3.28Å; Q268-T282 HydrophobicContact CB-CG2 4.24Å; R279-T282 PolarHBondContact NH2-OG1 3.35Å; R279-T282 PolarHBondContact O-N 3Å; E280-T282 VanDerWaalsContact C-N 3.29Å; E280-T282 PolarHBondContact O-N 3.37Å; T282-I284 PolarHBondContact O-N 3.3Å; T282-R285 VanDerWaalsContact CA-NH2 3.27Å; T282-R285 PolarHBondContact O-N 2.91Å; T282-R285 PolarHBondContact OG1-NH2 2.93Å; T282-I286 HydrophobicContact CG2-CD1 3.71Å; T282-I286 HydrophobicContact CG2-CG1 4.37Å; T282-I286 WeakPolarHBondContact O-CG1 3.48Å; T282-I286 PolarHBondContact O-N 2.82Å
283L98.7Very high96.2Very high0 Ų044.7 Ų44.70%024%0.244CC..Hα-helixtrans-62.3-43.3178.7-179.457000112.3L269 M273 T278 R279 E280 T287 V314 T318 L326L269-L283 HydrophobicContact CD2-CD1 3.77Å; M273-L283 HydrophobicContact CG-CD2 4.35Å; M273-L283 HydrophobicContact SD-CD1 4.38Å; M273-L283 HydrophobicContact SD-CD2 4.31Å; T278-L283 HydrophobicContact CG2-CD2 4.05Å; R279-L283 PolarHBondContact O-N 3.21Å; E280-L283 PolarHBondContact O-N 2.75Å; L283-T287 WeakPolarHBondContact O-CB 3.39Å; L283-T287 PolarHBondContact O-N 3.2Å; L283-T287 PolarHBondContact O-OG1 3.42Å; L283-V314 HydrophobicContact CD1-CG2 4.06Å; L283-T318 HydrophobicContact CD2-CG2 3.81Å; L283-L326 HydrophobicContact CD2-CD1 3.69Å; L283-L326 HydrophobicContact CG-CD1 4.08Å
284I98.8Very high96.2Very high6 Ų644.2 Ų44.23%0.03124%0.242CC..Hα-helixtrans-63.7-51.9176.8-72168.7000110L81 T84 E280 T282 I286 T287 C288 F322L81-I284 HydrophobicContact CB-CD1 4.24Å; L81-I284 HydrophobicContact CB-CG1 4.28Å; L81-I284 HydrophobicContact CD1-CG1 4.26Å; L81-I284 HydrophobicContact CD1-CG2 3.94Å; T84-I284 HydrophobicContact CG2-CG2 3.82Å; E280-I284 HydrophobicContact CB-CD1 4.26Å; E280-I284 WeakPolarHBondContact O-CB 3.47Å; E280-I284 WeakPolarHBondContact O-CG1 3.47Å; E280-I284 PolarHBondContact O-N 2.74Å; T282-I284 PolarHBondContact O-N 3.3Å; I284-I286 PolarHBondContact O-N 3.33Å; I284-T287 PolarHBondContact O-N 3.17Å; I284-C288 WeakPolarHBondContact O-CB 3.45Å; I284-C288 PolarHBondContact O-N 2.92Å; I284-C288 PolarHBondContact O-SG 2.73Å; I284-F322 HydrophobicContact CD1-CE2 3.71Å; I284-F322 HydrophobicContact CD1-CZ 4.08Å; I284-F322 HydrophobicContact CG1-CE2 3.62Å; I284-F322 HydrophobicContact CG1-CZ 3.91Å
285R98.7Very high96.3Very high5 Ų536.7 Ų36.72%0.01921%0.213CC..Hα-helixtrans-57.9-51.6-178.2176.6172.954.8-80.5-4.3111.8I92 L93 D96 E109 D281 T282 T287 C288 L289I92-R285 HydrophobicContact CG2-CB 4.38Å; I92-R285 HydrophobicContact CG2-CG 3.97Å; L93-R285 HydrophobicContact CD2-CG 4.36Å; D96-R285 WeakPolarHBondContact OD2-CB 3.23Å; D96-R285 VanDerWaalsContact OD2-CD 3.25Å; D96-R285 WeakPolarHBondContact OD2-CD 3.44Å; D96-R285 IonicContact OD2-CZ 3.52Å; D96-R285 IonicContact OD2-NE 3.73Å; D96-R285 IonicContact OD2-NH1 3.87Å; D96-R285 PolarHBondContact OD2-NH1 3.2Å; E109-R285 IonicContact OE2-CZ 3.9Å; E109-R285 IonicContact OE2-NH2 2.9Å; E109-R285 PolarHBondContact OE2-NH2 2.71Å; D281-R285 VanDerWaalsContact O-CB 3.28Å; D281-R285 WeakPolarHBondContact O-CB 3.49Å; D281-R285 PolarHBondContact O-N 3.17Å; D281-R285 VanDerWaalsContact O-N 3.13Å; D281-R285 PolarHBondContact O-NH1 3.42Å; T282-R285 VanDerWaalsContact CA-NH2 3.27Å; T282-R285 PolarHBondContact O-N 2.91Å; T282-R285 PolarHBondContact OG1-NH2 2.93Å; R285-T287 VanDerWaalsContact C-N 3.35Å; R285-T287 PolarHBondContact O-N 3.49Å; R285-C288 PolarHBondContact O-N 3.12Å; R285-L289 HydrophobicContact CG-CD1 3.56Å; R285-L289 HydrophobicContact CG-CG 4.27Å; R285-L289 VanDerWaalsContact O-CB 3.28Å; R285-L289 WeakPolarHBondContact O-CB 3.21Å; R285-L289 WeakPolarHBondContact O-CG 3.36Å; R285-L289 PolarHBondContact O-N 3.38Å
286I98.8Very high96.7Very high3 Ų334.9 Ų34.92%0.01519%0.19CC..Hα-helixtrans-66.5-41.8-177.4-61.3174.7000110.1L265 Q268 L269 T282 I284 L289 R290 L298L265-I286 HydrophobicContact CB-CG2 4.45Å; L265-I286 HydrophobicContact CD2-CD1 4.27Å; L265-I286 HydrophobicContact CD2-CG1 4.21Å; Q268-I286 HydrophobicContact CB-CD1 3.55Å; L269-I286 HydrophobicContact CD1-CG2 3.85Å; L269-I286 HydrophobicContact CD2-CB 3.95Å; L269-I286 HydrophobicContact CD2-CD1 4.39Å; L269-I286 HydrophobicContact CD2-CG2 3.84Å; L269-I286 HydrophobicContact CG-CB 4.26Å; L269-I286 HydrophobicContact CG-CD1 4.12Å; L269-I286 HydrophobicContact CG-CG2 3.76Å; T282-I286 HydrophobicContact CG2-CD1 3.71Å; T282-I286 HydrophobicContact CG2-CG1 4.37Å; T282-I286 WeakPolarHBondContact O-CG1 3.48Å; T282-I286 PolarHBondContact O-N 2.82Å; I284-I286 PolarHBondContact O-N 3.33Å; I286-L289 PolarHBondContact O-N 2.96Å; I286-R290 HydrophobicContact CG2-CG 4.15Å; I286-R290 WeakPolarHBondContact O-CB 3.19Å; I286-R290 VanDerWaalsContact O-CG 3.23Å; I286-R290 WeakPolarHBondContact O-CG 3.2Å; I286-R290 PolarHBondContact O-N 3.4Å; I286-R290 VanDerWaalsContact O-N 3.13Å; I286-L298 HydrophobicContact CG2-CD1 4.49Å
287T98.9Very high97.4Very high1 Ų127.2 Ų27.21%0.00615%0.15CC..Hα-helixtrans-57.3-53.7175.4-600000111.6L283 I284 R285 L289 R290 C291 L326 L329 L330L283-T287 WeakPolarHBondContact O-CB 3.39Å; L283-T287 PolarHBondContact O-N 3.2Å; L283-T287 PolarHBondContact O-OG1 3.42Å; I284-T287 PolarHBondContact O-N 3.17Å; R285-T287 VanDerWaalsContact C-N 3.35Å; R285-T287 PolarHBondContact O-N 3.49Å; T287-L289 PolarHBondContact O-N 3.26Å; T287-R290 PolarHBondContact O-N 3.11Å; T287-C291 WeakPolarHBondContact O-CB 3.26Å; T287-C291 PolarHBondContact O-N 3.06Å; T287-C291 PolarHBondContact O-SG 3.27Å; T287-C291 VanDerWaalsContact O-SG 3.35Å; T287-L326 HydrophobicContact CG2-CD2 3.93Å; T287-L329 HydrophobicContact CG2-CB 3.86Å; T287-L329 HydrophobicContact CG2-CD1 3.95Å; T287-L330 HydrophobicContact CG2-CD2 4.44Å
288C98.8Very high97.9Very high14 Ų1424.6 Ų24.610%0.09512%0.123CC..Hα-helixtrans-67.7-32.6-177.4-69.80000113.7L81 T84 I92 I284 R285 R290L81-C288 WeakPolarHBondContact CD1-SG 3.43Å; T84-C288 HydrophobicContact CG2-CB 3.73Å; I92-C288 HydrophobicContact CD1-CB 3.87Å; I284-C288 WeakPolarHBondContact O-CB 3.45Å; I284-C288 PolarHBondContact O-N 2.92Å; I284-C288 PolarHBondContact O-SG 2.73Å; R285-C288 PolarHBondContact O-N 3.12Å; C288-R290 VanDerWaalsContact C-N 3.32Å
289L98.7Very high98.1Very high32 Ų3224.9 Ų24.917%0.16812%0.123CC..Hα-helixtrans-71.5-28.4177.2-72.9173.5000112.6I92 L93 R285 I286 T287I92-L289 HydrophobicContact CB-CD2 4.33Å; I92-L289 HydrophobicContact CD1-CD2 4.14Å; I92-L289 HydrophobicContact CG2-CD2 4.47Å; I92-L289 HydrophobicContact CG2-CG 4.45Å; L93-L289 HydrophobicContact CD2-CD1 3.75Å; R285-L289 HydrophobicContact CG-CD1 3.56Å; R285-L289 HydrophobicContact CG-CG 4.27Å; R285-L289 VanDerWaalsContact O-CB 3.28Å; R285-L289 WeakPolarHBondContact O-CB 3.21Å; R285-L289 WeakPolarHBondContact O-CG 3.36Å; R285-L289 PolarHBondContact O-N 3.38Å; I286-L289 PolarHBondContact O-N 2.96Å; T287-L289 PolarHBondContact O-N 3.26Å
290R98.5Very high98.2Very high45 Ų4522.3 Ų22.317%0.1712%0.117CC..Hα-helixtrans-117.2-18.3-165.8-50.1-53.9-66.9-139.21.5114.4L265 I286 T287 C288 E292 V293 D294 M295 L298L265-R290 HydrophobicContact CD1-CG 4.33Å; I286-R290 HydrophobicContact CG2-CG 4.15Å; I286-R290 WeakPolarHBondContact O-CB 3.19Å; I286-R290 VanDerWaalsContact O-CG 3.23Å; I286-R290 WeakPolarHBondContact O-CG 3.2Å; I286-R290 PolarHBondContact O-N 3.4Å; I286-R290 VanDerWaalsContact O-N 3.13Å; T287-R290 PolarHBondContact O-N 3.11Å; C288-R290 VanDerWaalsContact C-N 3.32Å; R290-E292 PolarHBondContact O-N 3.49Å; R290-V293 PolarHBondContact O-N 2.88Å; R290-D294 IonicContact CZ-OD1 3.21Å; R290-D294 IonicContact CZ-OD2 2.59Å; R290-D294 IonicContact NE-OD1 3.8Å; R290-D294 PolarHBondContact NE-OD1 2.84Å; R290-D294 IonicContact NH2-OD1 3.96Å; R290-D294 PolarHBondContact NH2-OD1 3.49Å; R290-D294 IonicContact NH2-OD2 2.84Å; R290-D294 PolarHBondContact NH2-OD2 3.46Å; R290-D294 PolarHBondContact O-N 3.21Å; R290-D294 VanDerWaalsContact O-N 3.1Å; R290-M295 HydrophobicContact CB-CB 4.45Å; R290-M295 HydrophobicContact CB-CE 3.92Å; R290-M295 WeakPolarHBondContact O-CB 3.37Å; R290-M295 PolarHBondContact O-N 3.02Å; R290-L298 HydrophobicContact CB-CD1 3.86Å; R290-L298 HydrophobicContact CG-CD1 3.8Å
291C98.6Very high98.3Very high0 Ų020.9 Ų20.90%011%0.111CC..THydrogen-bonded Turntrans-58.6-33.4-177.863.90000112.9P8 S9 I10 T287 L329P8-C291 CarbonylContact C-O 3.3Å; P8-C291 VanDerWaalsContact CA-O 3.28Å; P8-C291 WeakPolarHBondContact CA-O 3.46Å; P8-C291 WeakPolarHBondContact CB-O 3.47Å; S9-C291 PolarHBondContact N-O 3Å; I10-C291 HydrophobicContact CB-CB 4.34Å; I10-C291 HydrophobicContact CG2-CB 4.45Å; I10-C291 WeakPolarHBondContact CG2-O 3.46Å; I10-C291 PolarHBondContact N-O 3.41Å; T287-C291 WeakPolarHBondContact O-CB 3.26Å; T287-C291 PolarHBondContact O-N 3.06Å; T287-C291 PolarHBondContact O-SG 3.27Å; T287-C291 VanDerWaalsContact O-SG 3.35Å; C291-L329 HydrophobicContact CB-CB 4.33Å; C291-L329 WeakPolarHBondContact CB-O 3.11Å
292E98.2Very high98.4Very high58 Ų5818.5 Ų18.527%0.27110%0.097SC..THydrogen-bonded Turntrans-91.62.6177.6-68.1178.3-144.700113.6I10 N47 L48 R51 R290I10-E292 HydrophobicContact CG2-CB 4.4Å; I10-E292 HydrophobicContact CG2-CG 3.55Å; N47-E292 WeakPolarHBondContact CB-OE2 3.42Å; L48-E292 PolarHBondContact N-OE1 3.44Å; L48-E292 PolarHBondContact N-OE2 3.11Å; R51-E292 IonicContact CZ-OE1 3.81Å; R51-E292 VanDerWaalsContact CZ-OE1 3.3Å; R51-E292 IonicContact NH1-OE1 3.87Å; R51-E292 PolarHBondContact NH1-OE1 2.97Å; R51-E292 IonicContact NH2-OE1 3.39Å; R51-E292 PolarHBondContact NH2-OE1 2.79Å; R290-E292 PolarHBondContact O-N 3.49Å
293V97.5Very high98.4Very high83 Ų8325.4 Ų25.450%0.50312%0.123SC..THydrogen-bonded Turntrans-121.9-73.2-171.9-175.10000112.1G7 R290G7-V293 CarbonylContact C-O 3.56Å; G7-V293 VanDerWaalsContact C-O 3.22Å; G7-V293 VanDerWaalsContact CA-O 3.28Å; G7-V293 WeakPolarHBondContact CA-O 3.4Å; R290-V293 PolarHBondContact O-N 2.88Å
294D97.8Very high98.4Very high8 Ų832.3 Ų32.34%0.04316%0.155CC..THydrogen-bonded Turntrans-148.423.5-170.769.6-17.9000113.8G7 R262 R290 N296 T297 L298G7-D294 CarbonylContact O-C 3.48Å; G7-D294 VanDerWaalsContact O-C 3.28Å; G7-D294 VanDerWaalsContact O-CA 3.27Å; G7-D294 WeakPolarHBondContact O-CA 3.47Å; R262-D294 IonicContact CZ-OD2 2.8Å; R262-D294 IonicContact NE-OD2 2.9Å; R262-D294 PolarHBondContact NE-OD2 3.29Å; R262-D294 IonicContact NH2-OD2 3.3Å; R290-D294 IonicContact CZ-OD1 3.21Å; R290-D294 IonicContact CZ-OD2 2.59Å; R290-D294 IonicContact NE-OD1 3.8Å; R290-D294 PolarHBondContact NE-OD1 2.84Å; R290-D294 IonicContact NH2-OD1 3.96Å; R290-D294 PolarHBondContact NH2-OD1 3.49Å; R290-D294 IonicContact NH2-OD2 2.84Å; R290-D294 PolarHBondContact NH2-OD2 3.46Å; R290-D294 PolarHBondContact O-N 3.21Å; R290-D294 VanDerWaalsContact O-N 3.1Å; D294-N296 PolarHBondContact O-N 3.18Å; D294-N296 VanDerWaalsContact O-N 3.13Å; D294-T297 WeakPolarHBondContact O-CA 3.49Å; D294-T297 VanDerWaalsContact O-CB 3.26Å; D294-T297 WeakPolarHBondContact O-CB 3.31Å; D294-T297 PolarHBondContact O-N 3.4Å; D294-L298 PolarHBondContact O-N 2.91Å
295M98.5Very high98.3Very high0 Ų037.9 Ų37.90%018%0.177CC..Hα-helixtrans-57.2-28.6-179.7-178.359.282.600113.7G7 S9 R290 T297 L298 K299 L310 L330G7-M295 PolarHBondContact O-N 2.9Å; S9-M295 VanDerWaalsContact OG-CB 3.24Å; S9-M295 WeakPolarHBondContact OG-CB 3.38Å; S9-M295 VanDerWaalsContact OG-CG 3.22Å; S9-M295 WeakPolarHBondContact OG-CG 3.37Å; R290-M295 HydrophobicContact CB-CB 4.45Å; R290-M295 HydrophobicContact CB-CE 3.92Å; R290-M295 WeakPolarHBondContact O-CB 3.37Å; R290-M295 PolarHBondContact O-N 3.02Å; M295-T297 VanDerWaalsContact C-N 3.28Å; M295-T297 PolarHBondContact O-N 3.01Å; M295-L298 PolarHBondContact O-N 3.48Å; M295-L298 HydrophobicContact SD-CB 4.03Å; M295-L298 HydrophobicContact SD-CD1 4.25Å; M295-K299 HydrophobicContact CG-CG 4.37Å; M295-K299 WeakPolarHBondContact O-CG 3.37Å; M295-K299 PolarHBondContact O-N 2.83Å; M295-L310 HydrophobicContact SD-CD2 3.85Å; M295-L330 HydrophobicContact CE-CD2 3.92Å; M295-L330 HydrophobicContact CG-CD2 3.6Å; M295-L330 HydrophobicContact SD-CD2 3.79Å
296N98.5Very high98.2Very high16 Ų1640.7 Ų40.79%0.08619%0.189CC..Hα-helixtrans-65.6-33173.9-69.8-31.4000112.7Q5 G7 P8 D294 K299 S300Q5-N296 HydrophobicContact CB-CB 4.06Å; Q5-N296 CarbonylContact O-C 3.48Å; Q5-N296 VanDerWaalsContact O-CB 3.24Å; Q5-N296 WeakPolarHBondContact O-CB 3.38Å; G7-N296 WeakPolarHBondContact O-CB 3.41Å; G7-N296 PolarHBondContact O-N 2.6Å; P8-N296 PolarHBondContact O-ND2 3.37Å; D294-N296 PolarHBondContact O-N 3.18Å; D294-N296 VanDerWaalsContact O-N 3.13Å; N296-K299 WeakPolarHBondContact OD1-CE 3.21Å; N296-K299 PolarHBondContact OD1-NZ 3.35Å; N296-S300 PolarHBondContact O-N 2.75Å; N296-S300 VanDerWaalsContact O-N 3.09Å; N296-S300 PolarHBondContact O-OG 2.91Å
297T98Very high98.1Very high24 Ų2443.8 Ų43.815%0.14722%0.222CC..Hα-helixtrans-65.6-46.4171-59.70000110.2D294 M295 K299 S300 M301D294-T297 WeakPolarHBondContact O-CA 3.49Å; D294-T297 VanDerWaalsContact O-CB 3.26Å; D294-T297 WeakPolarHBondContact O-CB 3.31Å; D294-T297 PolarHBondContact O-N 3.4Å; M295-T297 VanDerWaalsContact C-N 3.28Å; M295-T297 PolarHBondContact O-N 3.01Å; T297-K299 PolarHBondContact O-N 3.38Å; T297-S300 PolarHBondContact O-N 3.27Å; T297-S300 VanDerWaalsContact O-N 3.16Å; T297-M301 HydrophobicContact CG2-SD 4.07Å; T297-M301 WeakPolarHBondContact O-CG 3.43Å; T297-M301 PolarHBondContact O-N 3.03Å
298L98.6Very high98Very high0 Ų046.2 Ų46.20%023%0.233CC..Hα-helixtrans-62.7-40.2177.4-55.3-172.3000112.1R262 L265 V266 I286 R290 D294 M295 S300 M301 Y302R262-L298 HydrophobicContact CB-CD2 3.86Å; R262-L298 HydrophobicContact CG-CD2 4.01Å; L265-L298 HydrophobicContact CB-CD1 4.38Å; L265-L298 HydrophobicContact CD1-CD1 4.45Å; V266-L298 HydrophobicContact CG2-CB 4.06Å; V266-L298 HydrophobicContact CG2-CD2 4Å; I286-L298 HydrophobicContact CG2-CD1 4.49Å; R290-L298 HydrophobicContact CB-CD1 3.86Å; R290-L298 HydrophobicContact CG-CD1 3.8Å; D294-L298 PolarHBondContact O-N 2.91Å; M295-L298 PolarHBondContact O-N 3.48Å; M295-L298 HydrophobicContact SD-CB 4.03Å; M295-L298 HydrophobicContact SD-CD1 4.25Å; L298-S300 VanDerWaalsContact C-N 3.31Å; L298-S300 PolarHBondContact O-N 3.29Å; L298-M301 PolarHBondContact O-N 2.87Å; L298-Y302 VanDerWaalsContact O-CB 3.25Å; L298-Y302 WeakPolarHBondContact O-CB 3.36Å; L298-Y302 PolarHBondContact O-N 3.37Å
299K98.4Very high98Very high33 Ų3346.8 Ų46.814%0.14324%0.236CC..Hα-helixtrans-59.2-41173.7-75-169.3-63.5-177.40112.2M295 N296 T297 R303 L310 I311 L330M295-K299 HydrophobicContact CG-CG 4.37Å; M295-K299 WeakPolarHBondContact O-CG 3.37Å; M295-K299 PolarHBondContact O-N 2.83Å; N296-K299 WeakPolarHBondContact OD1-CE 3.21Å; N296-K299 PolarHBondContact OD1-NZ 3.35Å; T297-K299 PolarHBondContact O-N 3.38Å; K299-R303 PolarHBondContact O-N 2.87Å; K299-L310 HydrophobicContact CG-CB 4.07Å; K299-L310 HydrophobicContact CG-CD2 3.87Å; K299-L310 HydrophobicContact CG-CG 4.49Å; K299-I311 HydrophobicContact CD-CD1 4.12Å; K299-I311 HydrophobicContact CD-CG1 4.1Å; K299-L330 PolarHBondContact NZ-O 3.41Å
300S98.2Very high98Very high25 Ų2545.4 Ų45.418%0.17523%0.229CC..Hα-helixtrans-67.5-47.3179.1-620000111.1H4 N296 T297 L298 R303 E304H4-S300 PolarHBondContact ND1-OG 3.35Å; N296-S300 PolarHBondContact O-N 2.75Å; N296-S300 VanDerWaalsContact O-N 3.09Å; N296-S300 PolarHBondContact O-OG 2.91Å; T297-S300 PolarHBondContact O-N 3.27Å; T297-S300 VanDerWaalsContact O-N 3.16Å; L298-S300 VanDerWaalsContact C-N 3.31Å; L298-S300 PolarHBondContact O-N 3.29Å; S300-R303 PolarHBondContact O-N 2.86Å; S300-E304 PolarHBondContact O-N 3.38Å
301M98.1Very high98Very high26 Ų2644.9 Ų44.913%0.12823%0.229CC..Hα-helixtrans-61.5-45.1175.4-68.7174.770.800111.5R262 L263 V266 T297 L298 R303 E304 Y305R262-M301 HydrophobicContact CB-CE 3.91Å; R262-M301 HydrophobicContact CB-SD 3.81Å; L263-M301 HydrophobicContact CB-CE 3.99Å; L263-M301 HydrophobicContact CD1-CE 4.43Å; V266-M301 HydrophobicContact CG1-CB 4.44Å; V266-M301 HydrophobicContact CG2-CB 3.8Å; T297-M301 HydrophobicContact CG2-SD 4.07Å; T297-M301 WeakPolarHBondContact O-CG 3.43Å; T297-M301 PolarHBondContact O-N 3.03Å; L298-M301 PolarHBondContact O-N 2.87Å; M301-R303 VanDerWaalsContact C-N 3.28Å; M301-R303 PolarHBondContact O-N 3.32Å; M301-E304 WeakPolarHBondContact O-CB 3.23Å; M301-E304 PolarHBondContact O-N 3.1Å; M301-Y305 HydrophobicContact CB-CD2 4.45Å; M301-Y305 HydrophobicContact CE-CE2 4.5Å; M301-Y305 VanDerWaalsContact O-CD2 3.31Å; M301-Y305 WeakPolarHBondContact O-CD2 3.24Å; M301-Y305 PolarHBondContact O-N 3Å
302Y98.5Very high98Very high9 Ų948.9 Ų48.94%0.03525%0.248CC..Hα-helixtrans-56-43.9178.4-170.2-78.4000111.8V266 L269 Y270 M273 L298 F306 K308 L310 A313V266-Y302 HydrophobicContact CG1-CD2 4.18Å; L269-Y302 HydrophobicContact CB-CD2 4.18Å; L269-Y302 HydrophobicContact CB-CE2 4.07Å; Y270-Y302 HydrophobicContact CD2-CE2 4.43Å; M273-Y302 HydrophobicContact CE-CE2 4.23Å; L298-Y302 VanDerWaalsContact O-CB 3.25Å; L298-Y302 WeakPolarHBondContact O-CB 3.36Å; L298-Y302 PolarHBondContact O-N 3.37Å; Y302-F306 HydrophobicContact CD1-CD2 4.21Å; Y302-F306 AromaticContact CD2-CD2 3.86Å; Y302-F306 HydrophobicContact CD2-CD2 3.86Å; Y302-F306 HydrophobicContact CD2-CE2 4.14Å; Y302-F306 HydrophobicContact CE1-CB 4.38Å; Y302-F306 HydrophobicContact CE1-CD2 4.28Å; Y302-F306 AromaticContact CE2-CD2 3.95Å; Y302-F306 HydrophobicContact CE2-CD2 3.95Å; Y302-F306 HydrophobicContact CE2-CE2 4.27Å; Y302-F306 HydrophobicContact CG-CD2 4Å; Y302-F306 WeakPolarHBondContact O-CB 3.42Å; Y302-F306 WeakPolarHBondContact O-CD2 3.45Å; Y302-F306 PolarHBondContact O-N 3.15Å; Y302-K308 VanDerWaalsContact CD1-O 3.23Å; Y302-K308 WeakPolarHBondContact CD1-O 3.4Å; Y302-L310 HydrophobicContact CD1-CB 3.96Å; Y302-L310 HydrophobicContact CD1-CD1 4.4Å; Y302-L310 HydrophobicContact CD2-CD1 3.82Å; Y302-L310 HydrophobicContact CE1-CD1 4.4Å; Y302-L310 HydrophobicContact CE2-CD1 3.78Å; Y302-L310 HydrophobicContact CG-CB 3.97Å; Y302-L310 HydrophobicContact CG-CD1 4.13Å; Y302-A313 HydrophobicContact CE1-CB 4.02Å
303R97.9Very high98Very high145 Ų14546.5 Ų46.555%0.54724%0.238SC..Hα-helixtrans-65.1-41.9175.4-173-172-62.2-131.42112.3K299 S300 M301 G307 K308K299-R303 PolarHBondContact O-N 2.87Å; S300-R303 PolarHBondContact O-N 2.86Å; M301-R303 VanDerWaalsContact C-N 3.28Å; M301-R303 PolarHBondContact O-N 3.32Å; R303-G307 VanDerWaalsContact O-CA 3.25Å; R303-G307 WeakPolarHBondContact O-CA 3.18Å; R303-G307 PolarHBondContact O-N 3.29Å; R303-K308 WeakPolarHBondContact CA-O 3.39Å
304E97.8Very high98Very high146 Ų14642.6 Ų42.668%0.68222%0.215SC*.Hα-helixtrans-61.4-47.2178.9-177.2-178.7176.800111.8S300 M301S300-E304 PolarHBondContact O-N 3.38Å; M301-E304 WeakPolarHBondContact O-CB 3.23Å; M301-E304 PolarHBondContact O-N 3.1Å
305Y97.7Very high98Very high122 Ų12246.7 Ų46.748%0.47823%0.229SC..Hα-helixtrans-81-33.3-175-79.2-85.9000113.8L263 M301L263-Y305 HydrophobicContact CD1-CD1 4.07Å; L263-Y305 HydrophobicContact CD1-CD2 3.88Å; L263-Y305 HydrophobicContact CD1-CE1 3.79Å; L263-Y305 HydrophobicContact CD1-CE2 3.62Å; L263-Y305 HydrophobicContact CD1-CG 4.11Å; L263-Y305 HydrophobicContact CD2-CE1 4.47Å; M301-Y305 HydrophobicContact CB-CD2 4.45Å; M301-Y305 HydrophobicContact CE-CE2 4.5Å; M301-Y305 VanDerWaalsContact O-CD2 3.31Å; M301-Y305 WeakPolarHBondContact O-CD2 3.24Å; M301-Y305 PolarHBondContact O-N 3Å
306F97.1Very high97.9Very high64 Ų6453 Ų5328%0.28126%0.259SS..Hα-helixtrans-115.40.6-172.7-54.7-62.6000114.4V266 Y270 Y302 K308V266-F306 HydrophobicContact CG1-CD2 4.28Å; V266-F306 HydrophobicContact CG1-CE2 3.61Å; Y270-F306 VanDerWaalsContact CB-CE2 3.41Å; Y270-F306 HydrophobicContact CD1-CD1 4.3Å; Y270-F306 AromaticContact CD1-CE1 3.89Å; Y270-F306 HydrophobicContact CD1-CE1 3.89Å; Y270-F306 HydrophobicContact CD1-CZ 4.15Å; Y270-F306 HydrophobicContact CD2-CB 3.94Å; Y270-F306 AromaticContact CD2-CD1 3.46Å; Y270-F306 HydrophobicContact CD2-CD1 3.46Å; Y270-F306 VanDerWaalsContact CD2-CD1 3.46Å; Y270-F306 AromaticContact CD2-CD2 3.71Å; Y270-F306 HydrophobicContact CD2-CD2 3.71Å; Y270-F306 AromaticContact CD2-CE1 3.81Å; Y270-F306 HydrophobicContact CD2-CE1 3.81Å; Y270-F306 HydrophobicContact CD2-CE2 4.03Å; Y270-F306 AromaticContact CD2-CG 3.41Å; Y270-F306 HydrophobicContact CD2-CG 3.41Å; Y270-F306 VanDerWaalsContact CD2-CG 3.41Å; Y270-F306 HydrophobicContact CD2-CZ 4.09Å; Y270-F306 HydrophobicContact CE1-CD1 4.44Å; Y270-F306 HydrophobicContact CE1-CE1 4.28Å; Y270-F306 HydrophobicContact CE2-CB 4.06Å; Y270-F306 AromaticContact CE2-CD1 3.63Å; Y270-F306 HydrophobicContact CE2-CD1 3.63Å; Y270-F306 HydrophobicContact CE2-CE1 4.21Å; Y270-F306 AromaticContact CE2-CG 3.84Å; Y270-F306 HydrophobicContact CE2-CG 3.84Å; Y270-F306 AromaticContact CG-CD1 3.82Å; Y270-F306 HydrophobicContact CG-CD1 3.82Å; Y270-F306 HydrophobicContact CG-CD2 4.03Å; Y270-F306 AromaticContact CG-CE1 3.64Å; Y270-F306 HydrophobicContact CG-CE1 3.64Å; Y270-F306 AromaticContact CG-CE2 3.85Å; Y270-F306 HydrophobicContact CG-CE2 3.85Å; Y270-F306 HydrophobicContact CG-CG 4.02Å; Y270-F306 AromaticContact CG-CZ 3.65Å; Y270-F306 HydrophobicContact CG-CZ 3.65Å; Y302-F306 HydrophobicContact CD1-CD2 4.21Å; Y302-F306 AromaticContact CD2-CD2 3.86Å; Y302-F306 HydrophobicContact CD2-CD2 3.86Å; Y302-F306 HydrophobicContact CD2-CE2 4.14Å; Y302-F306 HydrophobicContact CE1-CB 4.38Å; Y302-F306 HydrophobicContact CE1-CD2 4.28Å; Y302-F306 AromaticContact CE2-CD2 3.95Å; Y302-F306 HydrophobicContact CE2-CD2 3.95Å; Y302-F306 HydrophobicContact CE2-CE2 4.27Å; Y302-F306 HydrophobicContact CG-CD2 4Å; Y302-F306 WeakPolarHBondContact O-CB 3.42Å; Y302-F306 WeakPolarHBondContact O-CD2 3.45Å; Y302-F306 PolarHBondContact O-N 3.15Å; F306-K308 PolarHBondContact O-N 2.93Å; F306-K308 VanDerWaalsContact O-N 3.12Å
307G96.8Very high97.9Very high69 Ų6954.3 Ų54.371%0.71127%0.266SS*.SBendtrans713.2174.900000115.4R303R303-G307 VanDerWaalsContact O-CA 3.25Å; R303-G307 WeakPolarHBondContact O-CA 3.18Å; R303-G307 PolarHBondContact O-N 3.29Å
308K96.7Very high97.9Very high51 Ų5153.6 Ų53.622%0.22226%0.262CS..SBendtrans-131.1140.4-176.7-173.8176177.1-175.90111.4Y302 R303 F306 E312 E316Y302-K308 VanDerWaalsContact CD1-O 3.23Å; Y302-K308 WeakPolarHBondContact CD1-O 3.4Å; R303-K308 WeakPolarHBondContact CA-O 3.39Å; F306-K308 PolarHBondContact O-N 2.93Å; F306-K308 VanDerWaalsContact O-N 3.12Å; K308-E312 VanDerWaalsContact CE-CG 3.49Å; K308-E312 VanDerWaalsContact CE-OE1 3.28Å; K308-E312 WeakPolarHBondContact CE-OE1 3.24Å; K308-E312 HydrophobicContact CG-CB 4.38Å; K308-E316 WeakPolarHBondContact CE-OE1 3.23Å; K308-E316 IonicContact NZ-OE1 3.68Å; K308-E316 PolarHBondContact NZ-OE1 2.93Å; K308-E316 IonicContact NZ-OE2 3.99Å; K308-E316 PolarHBondContact NZ-OE2 3.2Å
309P97.9Very high97.8Very high27 Ų2757.7 Ų57.718%0.17529%0.29CS..  trans-62.3137.5174.1-18.630.7000112.5I311 E312 A313P309-I311 VanDerWaalsContact C-N 3.31Å; P309-I311 PolarHBondContact O-N 2.71Å; P309-E312 HydrophobicContact CB-CB 4.1Å; P309-E312 VanDerWaalsContact CD-OE2 3.31Å; P309-E312 WeakPolarHBondContact CD-OE2 3.47Å; P309-E312 HydrophobicContact CG-CB 4.31Å; P309-E312 WeakPolarHBondContact O-CB 3.4Å; P309-E312 PolarHBondContact O-N 3.47Å; P309-A313 PolarHBondContact O-N 2.76Å
310L98.5Very high97.8Very high2 Ų258 Ų581%0.0130%0.302CS..Hα-helixtrans-57.2-41.2176.9177.462000112.9L269 M273 M295 K299 Y302 E312 A313 V314 L330L269-L310 HydrophobicContact CB-CD1 4.37Å; L269-L310 HydrophobicContact CD1-CD1 4.36Å; L269-L310 HydrophobicContact CD1-CD2 3.93Å; M273-L310 HydrophobicContact CE-CD1 3.73Å; M295-L310 HydrophobicContact SD-CD2 3.85Å; K299-L310 HydrophobicContact CG-CB 4.07Å; K299-L310 HydrophobicContact CG-CD2 3.87Å; K299-L310 HydrophobicContact CG-CG 4.49Å; Y302-L310 HydrophobicContact CD1-CB 3.96Å; Y302-L310 HydrophobicContact CD1-CD1 4.4Å; Y302-L310 HydrophobicContact CD2-CD1 3.82Å; Y302-L310 HydrophobicContact CE1-CD1 4.4Å; Y302-L310 HydrophobicContact CE2-CD1 3.78Å; Y302-L310 HydrophobicContact CG-CB 3.97Å; Y302-L310 HydrophobicContact CG-CD1 4.13Å; L310-E312 VanDerWaalsContact C-N 3.25Å; L310-E312 PolarHBondContact O-N 3.28Å; L310-A313 PolarHBondContact O-N 3.26Å; L310-V314 HydrophobicContact CD1-CG2 4.19Å; L310-V314 HydrophobicContact CG-CG2 4.47Å; L310-V314 WeakPolarHBondContact O-CG2 3.48Å; L310-V314 PolarHBondContact O-N 3.24Å; L310-L330 HydrophobicContact CD2-CD2 4.18Å; L310-L330 HydrophobicContact CG-CD1 4.36Å
311I98.5Very high97.7Very high35 Ų3558.7 Ų58.718%0.17930%0.304CS..Hα-helixtrans-57.7-40.1176.8-71.7176.2000111.2K299 P309 R315 L327 L330 E332K299-I311 HydrophobicContact CD-CD1 4.12Å; K299-I311 HydrophobicContact CD-CG1 4.1Å; P309-I311 VanDerWaalsContact C-N 3.31Å; P309-I311 PolarHBondContact O-N 2.71Å; I311-R315 WeakPolarHBondContact O-CB 3.26Å; I311-R315 PolarHBondContact O-N 3.44Å; I311-L327 HydrophobicContact CG2-CD2 3.87Å; I311-L327 WeakPolarHBondContact O-CD2 3.42Å; I311-L330 HydrophobicContact CD1-CB 4.35Å; I311-L330 HydrophobicContact CG1-CB 3.89Å; I311-L330 HydrophobicContact CG1-CD1 4.15Å; I311-E332 VanDerWaalsContact CG2-OE2 3.26Å; I311-E332 WeakPolarHBondContact CG2-OE2 3.45Å
312E98.2Very high97.8Very high84 Ų8458.3 Ų58.339%0.39330%0.302SS..Hα-helixtrans-71.5-41.2178.8-168.3-174.4136.500111.3K308 P309 L310 R315 E316K308-E312 VanDerWaalsContact CE-CG 3.49Å; K308-E312 VanDerWaalsContact CE-OE1 3.28Å; K308-E312 WeakPolarHBondContact CE-OE1 3.24Å; K308-E312 HydrophobicContact CG-CB 4.38Å; P309-E312 HydrophobicContact CB-CB 4.1Å; P309-E312 VanDerWaalsContact CD-OE2 3.31Å; P309-E312 WeakPolarHBondContact CD-OE2 3.47Å; P309-E312 HydrophobicContact CG-CB 4.31Å; P309-E312 WeakPolarHBondContact O-CB 3.4Å; P309-E312 PolarHBondContact O-N 3.47Å; L310-E312 VanDerWaalsContact C-N 3.25Å; L310-E312 PolarHBondContact O-N 3.28Å; E312-R315 PolarHBondContact O-N 3.26Å; E312-E316 PolarHBondContact O-N 3.34Å; E312-E316 VanDerWaalsContact O-N 3.11Å
313A98.2Very high97.8Very high8 Ų861.7 Ų61.77%0.06632%0.315CS..Hα-helixtrans-58.2-49.1173.400000111.4M273 Y302 P309 L310 R315 E316 D317M273-A313 HydrophobicContact CE-CB 3.92Å; M273-A313 HydrophobicContact SD-CB 4.17Å; Y302-A313 HydrophobicContact CE1-CB 4.02Å; P309-A313 PolarHBondContact O-N 2.76Å; L310-A313 PolarHBondContact O-N 3.26Å; A313-R315 VanDerWaalsContact C-N 3.31Å; A313-R315 PolarHBondContact O-N 2.76Å; A313-E316 PolarHBondContact O-N 3.3Å; A313-D317 WeakPolarHBondContact O-CB 3.41Å; A313-D317 PolarHBondContact O-N 3.49Å
314V98.6Very high97.8Very high1 Ų159.7 Ų59.71%0.00631%0.31CS..Hα-helixtrans-61.3-39.1176.8170.70000111.7M273 L283 L310 E316 D317 T318 L326 L327 L330M273-V314 HydrophobicContact CE-CG2 4.2Å; M273-V314 HydrophobicContact SD-CB 4.38Å; M273-V314 HydrophobicContact SD-CG2 3.69Å; L283-V314 HydrophobicContact CD1-CG2 4.06Å; L310-V314 HydrophobicContact CD1-CG2 4.19Å; L310-V314 HydrophobicContact CG-CG2 4.47Å; L310-V314 WeakPolarHBondContact O-CG2 3.48Å; L310-V314 PolarHBondContact O-N 3.24Å; V314-E316 VanDerWaalsContact C-N 3.34Å; V314-E316 PolarHBondContact O-N 2.98Å; V314-D317 PolarHBondContact O-N 3.36Å; V314-T318 HydrophobicContact CG1-CG2 4.42Å; V314-T318 WeakPolarHBondContact O-CB 3.33Å; V314-T318 PolarHBondContact O-N 3.26Å; V314-T318 PolarHBondContact O-OG1 2.68Å; V314-L326 HydrophobicContact CG1-CB 3.87Å; V314-L326 HydrophobicContact CG1-CD1 3.9Å; V314-L327 HydrophobicContact CB-CD2 4.3Å; V314-L327 HydrophobicContact CG1-CD2 4Å; V314-L330 HydrophobicContact CB-CD1 4.25Å; V314-L330 HydrophobicContact CG1-CD1 4.43Å; V314-L330 HydrophobicContact CG2-CD1 3.91Å
315R97.8Very high97.9Very high93 Ų9352.7 Ų52.735%0.35128%0.277SS..Hα-helixtrans-63.7-40.7180-171.1-170.7-50.5-67.2-17112.7I311 E312 A313 R323 L327 E332I311-R315 WeakPolarHBondContact O-CB 3.26Å; I311-R315 PolarHBondContact O-N 3.44Å; E312-R315 PolarHBondContact O-N 3.26Å; A313-R315 VanDerWaalsContact C-N 3.31Å; A313-R315 PolarHBondContact O-N 2.76Å; R315-R323 WeakPolarHBondContact O-CD 3.48Å; R315-R323 PolarHBondContact O-NH1 3.49Å; R315-L327 HydrophobicContact CB-CD1 4.49Å; R315-L327 HydrophobicContact CB-CD2 4.46Å; R315-L327 HydrophobicContact CG-CD1 4.45Å; R315-L327 VanDerWaalsContact NH1-CD1 3.3Å; R315-E332 IonicContact CZ-OE1 3.85Å; R315-E332 IonicContact CZ-OE2 2.61Å; R315-E332 IonicContact NH1-OE1 2.79Å; R315-E332 PolarHBondContact NH1-OE1 3.26Å; R315-E332 IonicContact NH2-OE1 3.58Å; R315-E332 PolarHBondContact NH2-OE1 2.86Å; R315-E332 IonicContact NH2-OE2 2.75Å; R315-E332 PolarHBondContact NH2-OE2 3.49Å
316E96.7Very high97.9Very high132 Ų13246.9 Ų46.962%0.61725%0.254SS*.Hα-helixtrans-74.5-35.1-178.9-76.5178-14500112.5K308 E312 A313 V314K308-E316 WeakPolarHBondContact CE-OE1 3.23Å; K308-E316 IonicContact NZ-OE1 3.68Å; K308-E316 PolarHBondContact NZ-OE1 2.93Å; K308-E316 IonicContact NZ-OE2 3.99Å; K308-E316 PolarHBondContact NZ-OE2 3.2Å; E312-E316 PolarHBondContact O-N 3.34Å; E312-E316 VanDerWaalsContact O-N 3.11Å; A313-E316 PolarHBondContact O-N 3.3Å; V314-E316 VanDerWaalsContact C-N 3.34Å; V314-E316 PolarHBondContact O-N 2.98Å
317D97.2Very high98Very high44 Ų4444.2 Ų44.224%0.23524%0.243CC..Hα-helixtrans-90-19.7-173-152.359.1000113.4M273 T278 A313 V314M273-D317 VanDerWaalsContact CA-OD2 3.31Å; M273-D317 WeakPolarHBondContact CA-OD2 3.43Å; M273-D317 HydrophobicContact CB-CB 4.03Å; M273-D317 WeakPolarHBondContact CB-OD2 3.48Å; M273-D317 HydrophobicContact CG-CB 4.01Å; M273-D317 WeakPolarHBondContact CG-OD2 3.46Å; M273-D317 HydrophobicContact SD-CB 4.22Å; T278-D317 VanDerWaalsContact CB-OD2 3.31Å; T278-D317 WeakPolarHBondContact CB-OD2 3.5Å; T278-D317 VanDerWaalsContact CG2-OD2 3.27Å; T278-D317 WeakPolarHBondContact CG2-OD2 3.46Å; T278-D317 PolarHBondContact OG1-O 2.94Å; T278-D317 PolarHBondContact OG1-OD2 3.29Å; A313-D317 WeakPolarHBondContact O-CB 3.41Å; A313-D317 PolarHBondContact O-N 3.49Å; V314-D317 PolarHBondContact O-N 3.36Å
318T97.7Very high98.1Very high10 Ų1041.1 Ų41.16%0.06121%0.211CC..  trans-116.1165-179.469.10000112.3L283 V314 F322 R323 L326L283-T318 HydrophobicContact CD2-CG2 3.81Å; V314-T318 HydrophobicContact CG1-CG2 4.42Å; V314-T318 WeakPolarHBondContact O-CB 3.33Å; V314-T318 PolarHBondContact O-N 3.26Å; V314-T318 PolarHBondContact O-OG1 2.68Å; T318-F322 HydrophobicContact CG2-CD1 4.1Å; T318-F322 HydrophobicContact CG2-CE1 3.66Å; T318-R323 WeakPolarHBondContact O-CD 3.43Å; T318-R323 PolarHBondContact O-NH1 3.06Å; T318-R323 WeakPolarHBondContact OG1-CA 3.26Å; T318-R323 WeakPolarHBondContact OG1-CB 3.44Å; T318-R323 VanDerWaalsContact OG1-CG 3.29Å; T318-R323 WeakPolarHBondContact OG1-CG 3.15Å; T318-L326 HydrophobicContact CG2-CD1 3.97Å
319S97.3Very high98.2Very high86 Ų8638.7 Ų38.760%0.60120%0.2SC*.  trans-142.9173.9-179.970.10000113.1R323S319-R323 PolarHBondContact O-N 3.42Å; S319-R323 VanDerWaalsContact O-N 3.11Å
320G97.6Very high98.2Very high38 Ų3837.5 Ų37.539%0.39219%0.192SC..Hα-helixtrans60.4-151.7175.500000114.4F322 R323 K324G320-F322 VanDerWaalsContact C-N 3.31Å; G320-R323 PolarHBondContact O-N 2.9Å; G320-K324 PolarHBondContact O-N 2.85Å
321D98Very high98.1Very high41 Ų4139.1 Ų39.122%0.21921%0.21CC..Hα-helixtrans-74.3-23.9-178.9-54.3-61.1000112.8E36 Y78 K324 L325E36-D321 HydrophobicContact CB-CB 3.93Å; E36-D321 VanDerWaalsContact CB-CG 3.49Å; E36-D321 HydrophobicContact CG-CB 4.27Å; Y78-D321 HydrophobicContact CD1-CB 4.23Å; Y78-D321 HydrophobicContact CD2-CB 3.87Å; Y78-D321 WeakPolarHBondContact CD2-O 3.26Å; Y78-D321 HydrophobicContact CE1-CB 4.16Å; Y78-D321 HydrophobicContact CE2-CB 3.77Å; Y78-D321 WeakPolarHBondContact CE2-O 3.47Å; Y78-D321 HydrophobicContact CG-CB 4.09Å; D321-K324 PolarHBondContact O-N 2.8Å; D321-K324 WeakPolarHBondContact OD1-CD 3.14Å; D321-K324 WeakPolarHBondContact OD1-CE 3.27Å; D321-K324 IonicContact OD1-NZ 3.19Å; D321-K324 PolarHBondContact OD1-NZ 2.91Å; D321-L325 PolarHBondContact O-N 2.93Å
322F98.7Very high97.7Very high17 Ų1743.2 Ų43.28%0.07523%0.228CC..Hα-helixtrans-55.5-51.7168.2175.7-125000111.3D77 L81 E280 I284 T318 G320 K324 L325 L326D77-F322 HydrophobicContact CB-CD1 3.97Å; D77-F322 HydrophobicContact CB-CD2 3.79Å; D77-F322 HydrophobicContact CB-CE1 4.04Å; D77-F322 HydrophobicContact CB-CE2 3.88Å; D77-F322 HydrophobicContact CB-CG 3.84Å; D77-F322 HydrophobicContact CB-CZ 3.99Å; D77-F322 WeakPolarHBondContact O-CD2 3.42Å; L81-F322 HydrophobicContact CB-CD2 4.2Å; L81-F322 HydrophobicContact CB-CE2 4.16Å; L81-F322 HydrophobicContact CD2-CD2 3.89Å; L81-F322 HydrophobicContact CD2-CE2 3.94Å; E280-F322 HydrophobicContact CB-CE1 4.48Å; E280-F322 HydrophobicContact CB-CZ 4.14Å; E280-F322 HydrophobicContact CG-CE1 3.87Å; E280-F322 HydrophobicContact CG-CZ 4.04Å; I284-F322 HydrophobicContact CD1-CE2 3.71Å; I284-F322 HydrophobicContact CD1-CZ 4.08Å; I284-F322 HydrophobicContact CG1-CE2 3.62Å; I284-F322 HydrophobicContact CG1-CZ 3.91Å; T318-F322 HydrophobicContact CG2-CD1 4.1Å; T318-F322 HydrophobicContact CG2-CE1 3.66Å; G320-F322 VanDerWaalsContact C-N 3.31Å; F322-K324 PolarHBondContact O-N 3.37Å; F322-L325 PolarHBondContact O-N 2.95Å; F322-L326 HydrophobicContact CD1-CD1 4.28Å; F322-L326 HydrophobicContact CD2-CD1 4.29Å; F322-L326 HydrophobicContact CD2-CG 4.33Å; F322-L326 HydrophobicContact CE1-CD1 3.74Å; F322-L326 HydrophobicContact CE2-CD1 3.73Å; F322-L326 HydrophobicContact CE2-CD2 4.35Å; F322-L326 HydrophobicContact CE2-CG 3.94Å; F322-L326 HydrophobicContact CZ-CD1 3.44Å; F322-L326 VanDerWaalsContact CZ-CD1 3.44Å; F322-L326 HydrophobicContact CZ-CG 4.17Å; F322-L326 PolarHBondContact O-N 3.4Å
323R98.5Very high97.7Very high81 Ų8141.2 Ų41.231%0.30622%0.22SC..Hα-helixtrans-57.7-50.2173.6178.3178.160.5-165.32.5111.8R315 T318 S319 G320 L325 L326 L327R315-R323 WeakPolarHBondContact O-CD 3.48Å; R315-R323 PolarHBondContact O-NH1 3.49Å; T318-R323 WeakPolarHBondContact O-CD 3.43Å; T318-R323 PolarHBondContact O-NH1 3.06Å; T318-R323 WeakPolarHBondContact OG1-CA 3.26Å; T318-R323 WeakPolarHBondContact OG1-CB 3.44Å; T318-R323 VanDerWaalsContact OG1-CG 3.29Å; T318-R323 WeakPolarHBondContact OG1-CG 3.15Å; S319-R323 PolarHBondContact O-N 3.42Å; S319-R323 VanDerWaalsContact O-N 3.11Å; G320-R323 PolarHBondContact O-N 2.9Å; R323-L325 VanDerWaalsContact C-N 3.26Å; R323-L325 PolarHBondContact O-N 3.41Å; R323-L326 PolarHBondContact O-N 2.81Å; R323-L327 HydrophobicContact CG-CD1 3.59Å; R323-L327 HydrophobicContact CG-CG 4.03Å; R323-L327 VanDerWaalsContact O-CG 3.23Å; R323-L327 WeakPolarHBondContact O-CG 3.42Å; R323-L327 PolarHBondContact O-N 3.22Å
324K98.7Very high97.7Very high102 Ų10242.9 Ų42.944%0.44323%0.228SC..Hα-helixtrans-56.6-43.7-176.5-65.8177.5-168.2160.90111.2T40 G320 D321 F322 L327 A328T40-K324 HydrophobicContact CG2-CB 4.05Å; G320-K324 PolarHBondContact O-N 2.85Å; D321-K324 PolarHBondContact O-N 2.8Å; D321-K324 WeakPolarHBondContact OD1-CD 3.14Å; D321-K324 WeakPolarHBondContact OD1-CE 3.27Å; D321-K324 IonicContact OD1-NZ 3.19Å; D321-K324 PolarHBondContact OD1-NZ 2.91Å; F322-K324 PolarHBondContact O-N 3.37Å; K324-L327 PolarHBondContact O-N 3.31Å; K324-A328 PolarHBondContact O-N 3.44Å
325L98.8Very high97.6Very high0 Ų045.2 Ų45.20%024%0.24CC..Hα-helixtrans-70.7-41179-178.356.3000112.6T40 L43 Y78 L81 I82 L85 D321 F322 R323 L327 A328 L329T40-L325 HydrophobicContact CG2-CB 3.96Å; T40-L325 HydrophobicContact CG2-CD1 4.2Å; L43-L325 HydrophobicContact CB-CD1 4.44Å; Y78-L325 HydrophobicContact CD2-CB 4.33Å; Y78-L325 HydrophobicContact CD2-CD2 4.15Å; Y78-L325 HydrophobicContact CE2-CB 3.87Å; Y78-L325 HydrophobicContact CE2-CD2 3.7Å; Y78-L325 HydrophobicContact CE2-CG 4.44Å; L81-L325 HydrophobicContact CD2-CB 3.96Å; L81-L325 HydrophobicContact CD2-CD2 3.78Å; L81-L325 HydrophobicContact CD2-CG 3.67Å; L81-L325 HydrophobicContact CG-CD2 3.84Å; L81-L325 HydrophobicContact CG-CG 4.16Å; I82-L325 HydrophobicContact CG1-CD2 4.06Å; L85-L325 HydrophobicContact CD1-CD1 4.15Å; L85-L325 HydrophobicContact CD1-CD2 3.95Å; L85-L325 HydrophobicContact CD1-CG 4.31Å; D321-L325 PolarHBondContact O-N 2.93Å; F322-L325 PolarHBondContact O-N 2.95Å; R323-L325 VanDerWaalsContact C-N 3.26Å; R323-L325 PolarHBondContact O-N 3.41Å; L325-L327 VanDerWaalsContact C-N 3.32Å; L325-L327 PolarHBondContact O-N 3.17Å; L325-A328 PolarHBondContact O-N 3.21Å; L325-L329 HydrophobicContact CD1-CG 4.4Å; L325-L329 HydrophobicContact CG-CD1 4.43Å; L325-L329 VanDerWaalsContact O-CG 3.25Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-L329 PolarHBondContact O-N 3.29Å
326L98.8Very high97.6Very high0 Ų042.4 Ų42.40%023%0.234CC..Hα-helixtrans-57.3-46.3172.1-77.1177.5000111.7L81 L283 T287 V314 T318 F322 R323 A328 L329 L330L81-L326 HydrophobicContact CD1-CD2 4.32Å; L81-L326 HydrophobicContact CD2-CD2 3.77Å; L81-L326 HydrophobicContact CD2-CG 3.81Å; L283-L326 HydrophobicContact CD2-CD1 3.69Å; L283-L326 HydrophobicContact CG-CD1 4.08Å; T287-L326 HydrophobicContact CG2-CD2 3.93Å; V314-L326 HydrophobicContact CG1-CB 3.87Å; V314-L326 HydrophobicContact CG1-CD1 3.9Å; T318-L326 HydrophobicContact CG2-CD1 3.97Å; F322-L326 HydrophobicContact CD1-CD1 4.28Å; F322-L326 HydrophobicContact CD2-CD1 4.29Å; F322-L326 HydrophobicContact CD2-CG 4.33Å; F322-L326 HydrophobicContact CE1-CD1 3.74Å; F322-L326 HydrophobicContact CE2-CD1 3.73Å; F322-L326 HydrophobicContact CE2-CD2 4.35Å; F322-L326 HydrophobicContact CE2-CG 3.94Å; F322-L326 HydrophobicContact CZ-CD1 3.44Å; F322-L326 VanDerWaalsContact CZ-CD1 3.44Å; F322-L326 HydrophobicContact CZ-CG 4.17Å; F322-L326 PolarHBondContact O-N 3.4Å; R323-L326 PolarHBondContact O-N 2.81Å; L326-A328 PolarHBondContact O-N 2.99Å; L326-L329 WeakPolarHBondContact O-CB 3.43Å; L326-L329 PolarHBondContact O-N 2.93Å; L326-L330 VanDerWaalsContact O-CG 3.31Å; L326-L330 WeakPolarHBondContact O-CG 3.44Å; L326-L330 PolarHBondContact O-N 3.46Å
327L98.7Very high97.7Very high7 Ų736.8 Ų36.84%0.03721%0.21CC..Hα-helixtrans-63.6-41.4-179.7-64.5175.2000112I311 V314 R315 R323 K324 L325 L329 L330 G331 E332I311-L327 HydrophobicContact CG2-CD2 3.87Å; I311-L327 WeakPolarHBondContact O-CD2 3.42Å; V314-L327 HydrophobicContact CB-CD2 4.3Å; V314-L327 HydrophobicContact CG1-CD2 4Å; R315-L327 HydrophobicContact CB-CD1 4.49Å; R315-L327 HydrophobicContact CB-CD2 4.46Å; R315-L327 HydrophobicContact CG-CD1 4.45Å; R315-L327 VanDerWaalsContact NH1-CD1 3.3Å; R323-L327 HydrophobicContact CG-CD1 3.59Å; R323-L327 HydrophobicContact CG-CG 4.03Å; R323-L327 VanDerWaalsContact O-CG 3.23Å; R323-L327 WeakPolarHBondContact O-CG 3.42Å; R323-L327 PolarHBondContact O-N 3.22Å; K324-L327 PolarHBondContact O-N 3.31Å; L325-L327 VanDerWaalsContact C-N 3.32Å; L325-L327 PolarHBondContact O-N 3.17Å; L327-L329 VanDerWaalsContact C-N 3.34Å; L327-L329 PolarHBondContact O-N 3.29Å; L327-L330 CarbonylContact O-C 3.59Å; L327-L330 WeakPolarHBondContact O-CA 3.26Å; L327-L330 WeakPolarHBondContact O-CB 3.48Å; L327-L330 PolarHBondContact O-N 3.36Å; L327-G331 PolarHBondContact O-N 3.04Å; L327-G331 VanDerWaalsContact O-N 3.15Å; L327-E332 HydrophobicContact CB-CB 4.28Å; L327-E332 PolarHBondContact O-N 3.15Å; L327-E332 VanDerWaalsContact O-N 3.1Å
328A98.6Very high97.7Very high5 Ų536.3 Ų36.34%0.04121%0.208CC..Hα-helixtrans-59-43.4173.200000112.1K324 L325 L326 L330 G331K324-A328 PolarHBondContact O-N 3.44Å; L325-A328 PolarHBondContact O-N 3.21Å; L326-A328 PolarHBondContact O-N 2.99Å; A328-L330 PolarHBondContact O-N 3.09Å; A328-G331 PolarHBondContact O-N 2.86Å
329L98.8Very high97.7Very high0 Ų038.2 Ų38.20%022%0.219CC..Hα-helixtrans-64.9-27.8175.6-63.8170.2000112.6S9 I10 L81 L85 T287 C291 L325 L326 L327 G331S9-L329 PolarHBondContact OG-O 2.82Å; I10-L329 HydrophobicContact CD1-CD2 3.63Å; I10-L329 HydrophobicContact CG1-CD2 4.29Å; I10-L329 PolarHBondContact N-O 2.62Å; L81-L329 HydrophobicContact CD1-CD1 3.92Å; L81-L329 HydrophobicContact CD2-CD1 4.31Å; L81-L329 HydrophobicContact CG-CD1 4.45Å; L85-L329 HydrophobicContact CD1-CD1 4.32Å; L85-L329 HydrophobicContact CD1-CD2 4.39Å; L85-L329 HydrophobicContact CD2-CD1 3.86Å; L85-L329 HydrophobicContact CD2-CD2 3.71Å; L85-L329 HydrophobicContact CD2-CG 4.45Å; L85-L329 HydrophobicContact CG-CD1 4.48Å; T287-L329 HydrophobicContact CG2-CB 3.86Å; T287-L329 HydrophobicContact CG2-CD1 3.95Å; C291-L329 HydrophobicContact CB-CB 4.33Å; C291-L329 WeakPolarHBondContact CB-O 3.11Å; L325-L329 HydrophobicContact CD1-CG 4.4Å; L325-L329 HydrophobicContact CG-CD1 4.43Å; L325-L329 VanDerWaalsContact O-CG 3.25Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-L329 PolarHBondContact O-N 3.29Å; L326-L329 WeakPolarHBondContact O-CB 3.43Å; L326-L329 PolarHBondContact O-N 2.93Å; L327-L329 VanDerWaalsContact C-N 3.34Å; L327-L329 PolarHBondContact O-N 3.29Å; L329-G331 VanDerWaalsContact C-N 3.27Å
330L98.4Very high97.7Very high1 Ų134.5 Ų34.51%0.00519%0.189CC..THydrogen-bonded Turntrans-830.9174-64.4179.6000113.5T287 M295 K299 L310 I311 V314 L326 L327 A328T287-L330 HydrophobicContact CG2-CD2 4.44Å; M295-L330 HydrophobicContact CE-CD2 3.92Å; M295-L330 HydrophobicContact CG-CD2 3.6Å; M295-L330 HydrophobicContact SD-CD2 3.79Å; K299-L330 PolarHBondContact NZ-O 3.41Å; L310-L330 HydrophobicContact CD2-CD2 4.18Å; L310-L330 HydrophobicContact CG-CD1 4.36Å; I311-L330 HydrophobicContact CD1-CB 4.35Å; I311-L330 HydrophobicContact CG1-CB 3.89Å; I311-L330 HydrophobicContact CG1-CD1 4.15Å; V314-L330 HydrophobicContact CB-CD1 4.25Å; V314-L330 HydrophobicContact CG1-CD1 4.43Å; V314-L330 HydrophobicContact CG2-CD1 3.91Å; L326-L330 VanDerWaalsContact O-CG 3.31Å; L326-L330 WeakPolarHBondContact O-CG 3.44Å; L326-L330 PolarHBondContact O-N 3.46Å; L327-L330 CarbonylContact O-C 3.59Å; L327-L330 WeakPolarHBondContact O-CA 3.26Å; L327-L330 WeakPolarHBondContact O-CB 3.48Å; L327-L330 PolarHBondContact O-N 3.36Å; A328-L330 PolarHBondContact O-N 3.09Å
331G96.1Very high97.7Very high37 Ų3734.3 Ų34.338%0.38117%0.172SC..THydrogen-bonded Turntrans84.331.117400000114.6S9 L327 A328 L329S9-G331 WeakPolarHBondContact O-CA 3.38Å; L327-G331 PolarHBondContact O-N 3.04Å; L327-G331 VanDerWaalsContact O-N 3.15Å; A328-G331 PolarHBondContact O-N 2.86Å; L329-G331 VanDerWaalsContact C-N 3.27Å
332E90.7Very high97.7Very high120 Ų12033.6 Ų33.656%0.56117%0.168SC*.  trans-96.50166.7178.1166.8113.400111.9I311 R315 L327I311-E332 VanDerWaalsContact CG2-OE2 3.26Å; I311-E332 WeakPolarHBondContact CG2-OE2 3.45Å; R315-E332 IonicContact CZ-OE1 3.85Å; R315-E332 IonicContact CZ-OE2 2.61Å; R315-E332 IonicContact NH1-OE1 2.79Å; R315-E332 PolarHBondContact NH1-OE1 3.26Å; R315-E332 IonicContact NH2-OE1 3.58Å; R315-E332 PolarHBondContact NH2-OE1 2.86Å; R315-E332 IonicContact NH2-OE2 2.75Å; R315-E332 PolarHBondContact NH2-OE2 3.49Å; L327-E332 HydrophobicContact CB-CB 4.28Å; L327-E332 PolarHBondContact O-N 3.15Å; L327-E332 VanDerWaalsContact O-N 3.1Å

Retrieved 332 of 332 residues in 279.8 ms (Link to these results)

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