A0A087XL55_POEFO Loading...

TBC1 domain family member 13

Acts as a GTPase-activating protein for RAB35. Together with RAB35 may be involved in regulation of insulin-induced glucose transporter SLC2A4/GLUT4 translocation to the plasma membrane in adipocytes.

AlphaFold DB , UniProt , Accession A0A087XL55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 400 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
1M69.3Low90.2Very high133 Ų13384.6 Ų84.666%0.65544%0.444SS*.  0123.90-166.6-178.3-80.300109.1Y5 K6 I9 E37M1-Y5 HydrophobicContact CE-CD1 3.98Å; M1-Y5 HydrophobicContact CE-CE1 3.79Å; M1-Y5 HydrophobicContact CG-CD1 3.33Å; M1-Y5 HydrophobicContact CG-CE1 4.09Å; M1-Y5 HydrophobicContact CG-CG 4.1Å; M1-Y5 HydrophobicContact SD-CD1 3.57Å; M1-Y5 VanDerWaalsContact SD-CD1 3.57Å; M1-Y5 HydrophobicContact SD-CE1 4Å; M1-K6 HydrophobicContact CG-CG 4.06Å; M1-K6 HydrophobicContact SD-CG 3.75Å; M1-I9 HydrophobicContact CE-CD1 4.18Å; M1-I9 HydrophobicContact SD-CD1 3.89Å; M1-E37 HydrophobicContact CE-CG 3.85Å; M1-E37 VanDerWaalsContact CE-OE1 3.24Å; M1-E37 WeakPolarHBondContact CE-OE1 3.36Å
2S87Confident90.8Very high72 Ų7277.6 Ų77.650%0.50341%0.407SS..  trans-72.4158.3-176.867.60000112.1A4 Y5 K6S2-A4 VanDerWaalsContact C-N 3.3Å; S2-A4 PolarHBondContact O-N 3.1Å; S2-Y5 PolarHBondContact O-N 3.21Å; S2-Y5 WeakPolarHBondContact OG-CB 3.47Å; S2-Y5 PolarHBondContact OG-N 3.27Å; S2-K6 PolarHBondContact O-N 3.42Å; S2-K6 VanDerWaalsContact O-N 3.1Å
3T90.3Very high91.1Very high105 Ų10576.7 Ų76.764%0.64440%0.398SS*.Hα-helixtrans-59.2-41.5176.4-50.30000111.8Y5 K6 N7T3-Y5 VanDerWaalsContact C-N 3.31Å; T3-Y5 PolarHBondContact O-N 2.98Å; T3-K6 PolarHBondContact O-N 3.09Å; T3-N7 VanDerWaalsContact O-CG 3.29Å; T3-N7 PolarHBondContact O-N 3.4Å; T3-N7 PolarHBondContact O-OD1 3.34Å
4A89.5Confident91.4Very high74 Ų7475.9 Ų75.961%0.61240%0.402SS*.Hα-helixtrans-59.6-40.9176.500000112.4S2 N7 R8S2-A4 VanDerWaalsContact C-N 3.3Å; S2-A4 PolarHBondContact O-N 3.1Å; A4-N7 PolarHBondContact O-N 3.05Å; A4-R8 PolarHBondContact O-N 3.28Å
5Y90.8Very high91.7Very high68 Ų6871.3 Ų71.327%0.26738%0.38SS..Hα-helixtrans-69.1-38.9178.7-168.6-92.3000112.6M1 S2 T3 N7 R8 I9 H36 E37M1-Y5 HydrophobicContact CE-CD1 3.98Å; M1-Y5 HydrophobicContact CE-CE1 3.79Å; M1-Y5 HydrophobicContact CG-CD1 3.33Å; M1-Y5 HydrophobicContact CG-CE1 4.09Å; M1-Y5 HydrophobicContact CG-CG 4.1Å; M1-Y5 HydrophobicContact SD-CD1 3.57Å; M1-Y5 VanDerWaalsContact SD-CD1 3.57Å; M1-Y5 HydrophobicContact SD-CE1 4Å; S2-Y5 PolarHBondContact O-N 3.21Å; S2-Y5 WeakPolarHBondContact OG-CB 3.47Å; S2-Y5 PolarHBondContact OG-N 3.27Å; T3-Y5 VanDerWaalsContact C-N 3.31Å; T3-Y5 PolarHBondContact O-N 2.98Å; Y5-N7 VanDerWaalsContact C-N 3.34Å; Y5-R8 WeakPolarHBondContact O-CB 3.42Å; Y5-R8 PolarHBondContact O-N 3.01Å; Y5-I9 HydrophobicContact CD1-CD1 3.85Å; Y5-I9 HydrophobicContact CD1-CG1 4.4Å; Y5-I9 HydrophobicContact CE1-CD1 3.62Å; Y5-I9 HydrophobicContact CE1-CG1 4.19Å; Y5-I9 PolarHBondContact O-N 3.27Å; Y5-H36 PolarHBondContact OH-N 3.38Å; Y5-E37 VanDerWaalsContact CE1-CD 3.43Å; Y5-E37 WeakPolarHBondContact CE1-OE1 3.49Å; Y5-E37 WeakPolarHBondContact CE1-OE2 3.27Å; Y5-E37 PolarHBondContact OH-OE1 3.1Å; Y5-E37 PolarHBondContact OH-OE2 3.26Å
6K92.1Very high91.9Very high122 Ų12267.8 Ų67.853%0.5336%0.361SS..Hα-helixtrans-62.6-41173.1-69.2-179-179.9-175.30112M1 S2 T3 R8 I9 Q10M1-K6 HydrophobicContact CG-CG 4.06Å; M1-K6 HydrophobicContact SD-CG 3.75Å; S2-K6 PolarHBondContact O-N 3.42Å; S2-K6 VanDerWaalsContact O-N 3.1Å; T3-K6 PolarHBondContact O-N 3.09Å; K6-R8 VanDerWaalsContact C-N 3.33Å; K6-I9 PolarHBondContact O-N 3.35Å; K6-Q10 PolarHBondContact O-N 2.92Å; K6-Q10 VanDerWaalsContact O-N 3.09Å
7N93.4Very high91.9Very high88 Ų8868.5 Ų68.547%0.47138%0.378SS..Hα-helixtrans-62.4-42.8175.7-68.4-6.3000110.9T3 A4 Y5 I9 Q10 E11T3-N7 VanDerWaalsContact O-CG 3.29Å; T3-N7 PolarHBondContact O-N 3.4Å; T3-N7 PolarHBondContact O-OD1 3.34Å; A4-N7 PolarHBondContact O-N 3.05Å; Y5-N7 VanDerWaalsContact C-N 3.34Å; N7-I9 PolarHBondContact O-N 3.33Å; N7-Q10 WeakPolarHBondContact O-CA 3.48Å; N7-Q10 WeakPolarHBondContact O-CB 3.46Å; N7-Q10 PolarHBondContact O-N 3.24Å; N7-E11 WeakPolarHBondContact O-CG 3.24Å; N7-E11 PolarHBondContact O-N 3.35Å
8R94.1Very high91.9Very high62 Ų6269.4 Ų69.423%0.23438%0.379CS..Hα-helixtrans-58.6-45.2175.3-170.2175.4-174.875.84.3112.3A4 Y5 K6 Q10 E11 F12 L29 G33 P35A4-R8 PolarHBondContact O-N 3.28Å; Y5-R8 WeakPolarHBondContact O-CB 3.42Å; Y5-R8 PolarHBondContact O-N 3.01Å; K6-R8 VanDerWaalsContact C-N 3.33Å; R8-Q10 VanDerWaalsContact C-N 3.25Å; R8-Q10 PolarHBondContact O-N 3.49Å; R8-E11 WeakPolarHBondContact O-CB 3.49Å; R8-E11 PolarHBondContact O-N 2.93Å; R8-F12 HydrophobicContact CG-CD2 4.31Å; R8-F12 HydrophobicContact CG-CE2 4.2Å; R8-F12 WeakPolarHBondContact O-CD2 3.27Å; R8-F12 PolarHBondContact O-N 3.44Å; R8-L29 PolarHBondContact NH2-O 3.04Å; R8-G33 PolarHBondContact NE-O 3.37Å; R8-G33 PolarHBondContact NH2-O 2.92Å; R8-P35 HydrophobicContact CG-CG 4.18Å
9I94.8Very high91.9Very high10 Ų1073.1 Ų73.15%0.05139%0.394CS..Hα-helixtrans-56.5-44173.8-71.2168.9000110.6M1 Y5 K6 N7 E11 F12 K13 P35 E37 L40M1-I9 HydrophobicContact CE-CD1 4.18Å; M1-I9 HydrophobicContact SD-CD1 3.89Å; Y5-I9 HydrophobicContact CD1-CD1 3.85Å; Y5-I9 HydrophobicContact CD1-CG1 4.4Å; Y5-I9 HydrophobicContact CE1-CD1 3.62Å; Y5-I9 HydrophobicContact CE1-CG1 4.19Å; Y5-I9 PolarHBondContact O-N 3.27Å; K6-I9 PolarHBondContact O-N 3.35Å; N7-I9 PolarHBondContact O-N 3.33Å; I9-E11 PolarHBondContact O-N 3.27Å; I9-F12 PolarHBondContact O-N 3.01Å; I9-K13 HydrophobicContact CG2-CD 4.18Å; I9-K13 HydrophobicContact CG2-CG 4.5Å; I9-K13 WeakPolarHBondContact O-CG 2.82Å; I9-K13 PolarHBondContact O-N 3.25Å; I9-P35 HydrophobicContact CG1-CB 3.85Å; I9-P35 HydrophobicContact CG1-CG 4.04Å; I9-E37 HydrophobicContact CD1-CB 4.37Å; I9-L40 HydrophobicContact CG1-CD1 4.44Å; I9-L40 HydrophobicContact CG2-CD1 4.18Å
10Q95.3Very high92.1Very high104 Ų10473.3 Ų73.349%0.48640%0.4SS..Hα-helixtrans-66.6-35.9-179.3-169.757.444.100112.8K6 N7 R8 K13 S14K6-Q10 PolarHBondContact O-N 2.92Å; K6-Q10 VanDerWaalsContact O-N 3.09Å; N7-Q10 WeakPolarHBondContact O-CA 3.48Å; N7-Q10 WeakPolarHBondContact O-CB 3.46Å; N7-Q10 PolarHBondContact O-N 3.24Å; R8-Q10 VanDerWaalsContact C-N 3.25Å; R8-Q10 PolarHBondContact O-N 3.49Å; Q10-K13 PolarHBondContact O-N 2.81Å; Q10-S14 PolarHBondContact O-N 2.47Å; Q10-S14 PolarHBondContact O-OG 3.22Å
11E95.4Very high92.3Very high93 Ų9370 Ų7044%0.43538%0.382SS..Hα-helixtrans-60-47173.8-71.3164.9-170.800111.5N7 R8 I9 K13 S14 A15 L29N7-E11 WeakPolarHBondContact O-CG 3.24Å; N7-E11 PolarHBondContact O-N 3.35Å; R8-E11 WeakPolarHBondContact O-CB 3.49Å; R8-E11 PolarHBondContact O-N 2.93Å; I9-E11 PolarHBondContact O-N 3.27Å; E11-K13 PolarHBondContact O-N 3.14Å; E11-S14 PolarHBondContact O-N 2.92Å; E11-A15 PolarHBondContact O-N 2.64Å; E11-L29 HydrophobicContact CB-CD2 4.19Å
12F97.1Very high93.7Very high0 Ų067 Ų670%037%0.369CS..Hα-helixtrans-61.1-44.6175-87.1-91.2000111.9R8 I9 S14 A15 L16 L26 L29 I34 P35 L40R8-F12 HydrophobicContact CG-CD2 4.31Å; R8-F12 HydrophobicContact CG-CE2 4.2Å; R8-F12 WeakPolarHBondContact O-CD2 3.27Å; R8-F12 PolarHBondContact O-N 3.44Å; I9-F12 PolarHBondContact O-N 3.01Å; F12-S14 VanDerWaalsContact C-N 3.32Å; F12-S14 PolarHBondContact O-N 3.46Å; F12-A15 PolarHBondContact O-N 2.72Å; F12-L16 VanDerWaalsContact O-CB 3.31Å; F12-L16 WeakPolarHBondContact O-CB 3.11Å; F12-L16 VanDerWaalsContact O-CG 3.25Å; F12-L16 WeakPolarHBondContact O-CG 3.2Å; F12-L16 PolarHBondContact O-N 2.82Å; F12-L26 HydrophobicContact CD1-CD1 4.45Å; F12-L26 HydrophobicContact CE1-CD1 4.46Å; F12-L29 HydrophobicContact CE1-CB 4.04Å; F12-L29 HydrophobicContact CE2-CB 3.95Å; F12-L29 HydrophobicContact CZ-CB 3.7Å; F12-I34 HydrophobicContact CD1-CG2 4.38Å; F12-I34 HydrophobicContact CE1-CB 4.37Å; F12-I34 HydrophobicContact CE1-CG1 3.96Å; F12-I34 HydrophobicContact CE1-CG2 3.9Å; F12-I34 HydrophobicContact CZ-CB 4.29Å; F12-I34 HydrophobicContact CZ-CG1 3.99Å; F12-I34 HydrophobicContact CZ-CG2 4.17Å; F12-P35 HydrophobicContact CD2-CG 4.07Å; F12-P35 VanDerWaalsContact CE2-CD 3.48Å; F12-P35 HydrophobicContact CE2-CG 4.22Å; F12-L40 HydrophobicContact CB-CD1 4.02Å; F12-L40 HydrophobicContact CB-CD2 4.22Å
13K95.3Very high94.1Very high66 Ų6665 Ų6529%0.28735%0.353SS..Hα-helixtrans-60-42.6177.2-74.1179.2178.9-177.40112.2I9 Q10 E11 L16 A17 E38I9-K13 HydrophobicContact CG2-CD 4.18Å; I9-K13 HydrophobicContact CG2-CG 4.5Å; I9-K13 WeakPolarHBondContact O-CG 2.82Å; I9-K13 PolarHBondContact O-N 3.25Å; Q10-K13 PolarHBondContact O-N 2.81Å; E11-K13 PolarHBondContact O-N 3.14Å; K13-L16 CarbonylContact O-C 3.56Å; K13-L16 PolarHBondContact O-N 3.43Å; K13-A17 VanDerWaalsContact O-CB 3.23Å; K13-A17 WeakPolarHBondContact O-CB 3.47Å; K13-A17 PolarHBondContact O-N 2.78Å; K13-E38 VanDerWaalsContact CE-CD 3.45Å; K13-E38 WeakPolarHBondContact CE-OE2 3.49Å; K13-E38 IonicContact NZ-OE1 3.38Å; K13-E38 PolarHBondContact NZ-OE1 3.03Å; K13-E38 IonicContact NZ-OE2 2.87Å; K13-E38 PolarHBondContact NZ-OE2 3.3Å
14S95.5Very high94.4Very high65 Ų6562.5 Ų62.546%0.45534%0.337SS..Hα-helixtrans-63.5-46177.6-61.40000111.1Q10 E11 F12 L16 A17Q10-S14 PolarHBondContact O-N 2.47Å; Q10-S14 PolarHBondContact O-OG 3.22Å; E11-S14 PolarHBondContact O-N 2.92Å; F12-S14 VanDerWaalsContact C-N 3.32Å; F12-S14 PolarHBondContact O-N 3.46Å; S14-L16 VanDerWaalsContact C-N 3.31Å; S14-L16 PolarHBondContact O-N 2.94Å; S14-A17 PolarHBondContact O-N 3.42Å
15A95.1Very high94.7Very high8 Ų861.2 Ų61.27%0.06632%0.322CS..Hα-helixtrans-64.6-34.3177.800000113E11 F12 T25 L29E11-A15 PolarHBondContact O-N 2.64Å; F12-A15 PolarHBondContact O-N 2.72Å; A15-T25 HydrophobicContact CB-CG2 4.4Å; A15-L29 HydrophobicContact CB-CD1 3.82Å
16L94.9Very high95.1Very high15 Ų1558 Ų588%0.07931%0.309CS..THydrogen-bonded Turntrans-87.1-0.9178.1-65.7168000113.3F12 K13 S14 I21 L26 L40 L43 I47 Q56F12-L16 VanDerWaalsContact O-CB 3.31Å; F12-L16 WeakPolarHBondContact O-CB 3.11Å; F12-L16 VanDerWaalsContact O-CG 3.25Å; F12-L16 WeakPolarHBondContact O-CG 3.2Å; F12-L16 PolarHBondContact O-N 2.82Å; K13-L16 CarbonylContact O-C 3.56Å; K13-L16 PolarHBondContact O-N 3.43Å; S14-L16 VanDerWaalsContact C-N 3.31Å; S14-L16 PolarHBondContact O-N 2.94Å; L16-I21 HydrophobicContact CD2-CD1 4.11Å; L16-L26 HydrophobicContact CD2-CD1 4Å; L16-L26 HydrophobicContact CG-CD1 4.46Å; L16-L40 HydrophobicContact CD1-CD2 3.78Å; L16-L43 HydrophobicContact CD1-CD2 4.17Å; L16-L43 HydrophobicContact CD2-CD2 4.33Å; L16-L43 HydrophobicContact CD2-CG 4.49Å; L16-I47 HydrophobicContact CD2-CD1 3.76Å; L16-Q56 PolarHBondContact O-NE2 3.06Å
17A93.2Very high95.3Very high79 Ų7954.4 Ų54.465%0.65329%0.292SS*.THydrogen-bonded Turntrans-94.3-10.7175.900000112.9K13 S14K13-A17 VanDerWaalsContact O-CB 3.23Å; K13-A17 WeakPolarHBondContact O-CB 3.47Å; K13-A17 PolarHBondContact O-N 2.78Å; S14-A17 PolarHBondContact O-N 3.42Å
18E91.6Very high95.5Very high86 Ų8656.6 Ų56.640%0.40230%0.3SS..SBendtrans-67.5132.5177.3-64.5179.9-169.200110.8S20 Q56E18-S20 PolarHBondContact O-N 3.31Å; E18-S20 VanDerWaalsContact O-N 3.14Å; E18-Q56 PolarHBondContact O-NE2 3.34Å
19E91.5Very high95.6Very high139 Ų13955 Ų5565%0.6530%0.296SS*.SBendtrans-52.5-39.3179-175.4179.3176.200112.3Q56 T57E19-Q56 PolarHBondContact O-N 3.41Å; E19-T57 HydrophobicContact CG-CG2 3.7Å; E19-T57 WeakPolarHBondContact OE1-CG2 3.47Å
20S95.9Very high95.7Very high76 Ų7654.5 Ų54.553%0.53129%0.293SS..BIsolated β-bridgetrans-117.6115.6169.2-176.10000109.2E18 N22 L54E18-S20 PolarHBondContact O-N 3.31Å; E18-S20 VanDerWaalsContact O-N 3.14Å; S20-N22 PolarHBondContact O-N 2.97Å; S20-L54 WeakPolarHBondContact CA-O 3.42Å
21I96.9Very high95.8Very high4 Ų451.1 Ų51.12%0.02128%0.277CS..  trans-71.3123.4-172.7-62.7176.8000110.4L16 L23 L26 I47 L54 Q56 W59L16-I21 HydrophobicContact CD2-CD1 4.11Å; I21-L23 PolarHBondContact O-N 3.29Å; I21-L26 HydrophobicContact CG2-CB 4.45Å; I21-L26 HydrophobicContact CG2-CD2 4.15Å; I21-I47 HydrophobicContact CD1-CD1 3.46Å; I21-I47 VanDerWaalsContact CD1-CD1 3.46Å; I21-I47 HydrophobicContact CD1-CG1 4.41Å; I21-L54 PolarHBondContact N-O 2.92Å; I21-Q56 HydrophobicContact CD1-CG 4.01Å; I21-Q56 HydrophobicContact CG1-CG 4.02Å; I21-W59 HydrophobicContact CD1-CH2 3.78Å; I21-W59 HydrophobicContact CD1-CZ2 3.48Å; I21-W59 VanDerWaalsContact CD1-CZ2 3.48Å
22N96.9Very high95.7Very high71 Ų7150.2 Ų50.238%0.3828%0.281SS..  trans-69.798.9169.8-170.5-33.5000111.3S20 T24 T25 L26S20-N22 PolarHBondContact O-N 2.97Å; N22-T24 PolarHBondContact O-N 3.4Å; N22-T24 WeakPolarHBondContact OD1-CB 3.32Å; N22-T24 PolarHBondContact OD1-N 3.49Å; N22-T25 PolarHBondContact O-N 3.01Å; N22-T25 PolarHBondContact OD1-N 2.89Å; N22-T25 VanDerWaalsContact OD1-N 3.17Å; N22-L26 PolarHBondContact O-N 3.2Å
23L96.5Very high95.7Very high31 Ų3150.5 Ų50.516%0.16228%0.284CS..Hα-helixtrans-61.5-28.3-179.6-174.659.9000113.4I21 R27 I47 L48 L54I21-L23 PolarHBondContact O-N 3.29Å; L23-R27 HydrophobicContact CD1-CG 4.34Å; L23-R27 VanDerWaalsContact CD2-NH1 3.25Å; L23-R27 HydrophobicContact CG-CG 4.49Å; L23-R27 WeakPolarHBondContact O-CB 3.41Å; L23-R27 WeakPolarHBondContact O-CG 3.25Å; L23-R27 PolarHBondContact O-N 3.49Å; L23-I47 HydrophobicContact CD1-CG2 4.15Å; L23-L48 HydrophobicContact CD1-CD2 4.08Å; L23-L54 HydrophobicContact CB-CD1 4.11Å; L23-L54 HydrophobicContact CB-CD2 4.07Å; L23-L54 HydrophobicContact CD1-CD2 4.25Å; L23-L54 HydrophobicContact CD2-CD1 4.4Å; L23-L54 HydrophobicContact CD2-CD2 4.42Å; L23-L54 HydrophobicContact CG-CD2 4.48Å
24T96.8Very high95.7Very high51 Ų5147.7 Ų47.731%0.31327%0.272SS..Hα-helixtrans-69.4-48.6177.5-60.20000110.4N22 L26 R27 E28 R345N22-T24 PolarHBondContact O-N 3.4Å; N22-T24 WeakPolarHBondContact OD1-CB 3.32Å; N22-T24 PolarHBondContact OD1-N 3.49Å; T24-L26 VanDerWaalsContact C-N 3.34Å; T24-L26 PolarHBondContact O-N 3Å; T24-R27 PolarHBondContact O-N 2.98Å; T24-E28 WeakPolarHBondContact O-CG 3.48Å; T24-E28 PolarHBondContact O-N 3.17Å; T24-R345 PolarHBondContact OG1-NH2 3.36Å
25T96.6Very high95.7Very high47 Ų4744.7 Ų44.729%0.28825%0.251SS..Hα-helixtrans-60.8-43.7176-55.70000111.5A15 N22 R27 E28 L29A15-T25 HydrophobicContact CB-CG2 4.4Å; N22-T25 PolarHBondContact O-N 3.01Å; N22-T25 PolarHBondContact OD1-N 2.89Å; N22-T25 VanDerWaalsContact OD1-N 3.17Å; T25-R27 VanDerWaalsContact C-N 3.31Å; T25-R27 PolarHBondContact O-N 3.31Å; T25-E28 PolarHBondContact O-N 3.44Å; T25-L29 HydrophobicContact CG2-CD1 4.13Å; T25-L29 HydrophobicContact CG2-CG 4.47Å; T25-L29 WeakPolarHBondContact O-CG 3.48Å; T25-L29 PolarHBondContact O-N 3.21Å
26L97.6Very high95.3Very high0 Ų049.8 Ų49.80%027%0.273CS..Hα-helixtrans-60.7-41.4178-174.565.1000111.9F12 L16 I21 N22 T24 S30 I47 L48F12-L26 HydrophobicContact CD1-CD1 4.45Å; F12-L26 HydrophobicContact CE1-CD1 4.46Å; L16-L26 HydrophobicContact CD2-CD1 4Å; L16-L26 HydrophobicContact CG-CD1 4.46Å; I21-L26 HydrophobicContact CG2-CB 4.45Å; I21-L26 HydrophobicContact CG2-CD2 4.15Å; N22-L26 PolarHBondContact O-N 3.2Å; T24-L26 VanDerWaalsContact C-N 3.34Å; T24-L26 PolarHBondContact O-N 3Å; L26-S30 WeakPolarHBondContact O-CB 3.46Å; L26-S30 PolarHBondContact O-N 3.44Å; L26-S30 PolarHBondContact O-OG 3.1Å; L26-I47 HydrophobicContact CD2-CB 3.97Å; L26-I47 HydrophobicContact CD2-CD1 3.97Å; L26-I47 HydrophobicContact CD2-CG2 3.64Å; L26-L48 HydrophobicContact CD2-CD2 4.44Å
27R97.7Very high95Very high47 Ų4751.9 Ų51.918%0.17728%0.283CS..Hα-helixtrans-63.3-47.3176.2-76.5178.1166.9134.7-0.5111.9L23 T24 T25 L29 S30 F31 L48 S343L23-R27 HydrophobicContact CD1-CG 4.34Å; L23-R27 VanDerWaalsContact CD2-NH1 3.25Å; L23-R27 HydrophobicContact CG-CG 4.49Å; L23-R27 WeakPolarHBondContact O-CB 3.41Å; L23-R27 WeakPolarHBondContact O-CG 3.25Å; L23-R27 PolarHBondContact O-N 3.49Å; T24-R27 PolarHBondContact O-N 2.98Å; T25-R27 VanDerWaalsContact C-N 3.31Å; T25-R27 PolarHBondContact O-N 3.31Å; R27-L29 PolarHBondContact O-N 3.41Å; R27-S30 PolarHBondContact O-N 2.81Å; R27-F31 WeakPolarHBondContact O-CB 3.44Å; R27-F31 PolarHBondContact O-N 3.45Å; R27-L48 HydrophobicContact CG-CD2 3.73Å; R27-S343 VanDerWaalsContact CB-O 3.27Å; R27-S343 WeakPolarHBondContact CB-O 3.23Å; R27-S343 WeakPolarHBondContact CD-O 3.38Å; R27-S343 WeakPolarHBondContact CG-O 3.31Å; R27-S343 WeakPolarHBondContact O-CB 3.28Å
28E96.3Very high94.6Very high134 Ų13453.6 Ų53.663%0.62628%0.277SS*.Hα-helixtrans-59.3-45.3178.3-72.2170.2-175.900111.9T24 T25T24-E28 WeakPolarHBondContact O-CG 3.48Å; T24-E28 PolarHBondContact O-N 3.17Å; T25-E28 PolarHBondContact O-N 3.44Å
29L96.7Very high94.6Very high29 Ų2950 Ų5015%0.15226%0.263CS..Hα-helixtrans-63-45.8176.4-70.8174.9000111.7R8 E11 F12 A15 T25 R27 F31R8-L29 PolarHBondContact NH2-O 3.04Å; E11-L29 HydrophobicContact CB-CD2 4.19Å; F12-L29 HydrophobicContact CE1-CB 4.04Å; F12-L29 HydrophobicContact CE2-CB 3.95Å; F12-L29 HydrophobicContact CZ-CB 3.7Å; A15-L29 HydrophobicContact CB-CD1 3.82Å; T25-L29 HydrophobicContact CG2-CD1 4.13Å; T25-L29 HydrophobicContact CG2-CG 4.47Å; T25-L29 WeakPolarHBondContact O-CG 3.48Å; T25-L29 PolarHBondContact O-N 3.21Å; R27-L29 PolarHBondContact O-N 3.41Å; L29-F31 PolarHBondContact O-N 2.98Å
30S97.6Very high94.9Very high0 Ų043.9 Ų43.90%024%0.235CC..Hα-helixtrans-69.9-30-175.9-590000113.3L26 R27 S32 G33L26-S30 WeakPolarHBondContact O-CB 3.46Å; L26-S30 PolarHBondContact O-N 3.44Å; L26-S30 PolarHBondContact O-OG 3.1Å; R27-S30 PolarHBondContact O-N 2.81Å; S30-S32 PolarHBondContact O-N 3.05Å; S30-S32 VanDerWaalsContact O-N 3.16Å; S30-G33 WeakPolarHBondContact O-CA 3.46Å; S30-G33 PolarHBondContact O-N 3.03Å
31F96.8Very high95Very high32 Ų3241.8 Ų41.814%0.1422%0.215CC..Hα-helixtrans-57.6-35.3-176.5-172.3-90.7000113.3R27 L29 G33 S340 S343 F350 K394R27-F31 WeakPolarHBondContact O-CB 3.44Å; R27-F31 PolarHBondContact O-N 3.45Å; L29-F31 PolarHBondContact O-N 2.98Å; F31-G33 VanDerWaalsContact C-N 3.26Å; F31-G33 PolarHBondContact O-N 2.8Å; F31-S340 PolarHBondContact O-OG 3.3Å; F31-S343 WeakPolarHBondContact CA-OG 3.37Å; F31-S343 WeakPolarHBondContact CB-OG 3.2Å; F31-S343 WeakPolarHBondContact CD2-OG 3.44Å; F31-S343 PolarHBondContact N-OG 3.39Å; F31-F350 HydrophobicContact CE2-CD1 4.38Å; F31-F350 AromaticContact CE2-CE1 3.76Å; F31-F350 HydrophobicContact CE2-CE1 3.76Å; F31-F350 HydrophobicContact CE2-CE2 4.1Å; F31-F350 AromaticContact CE2-CZ 3.62Å; F31-F350 HydrophobicContact CE2-CZ 3.62Å; F31-F350 HydrophobicContact CZ-CE1 4.05Å; F31-F350 AromaticContact CZ-CE2 3.93Å; F31-F350 HydrophobicContact CZ-CE2 3.93Å; F31-F350 AromaticContact CZ-CZ 3.46Å; F31-F350 HydrophobicContact CZ-CZ 3.46Å; F31-F350 VanDerWaalsContact CZ-CZ 3.46Å; F31-K394 HydrophobicContact CE1-CB 4.35Å; F31-K394 HydrophobicContact CE1-CD 4.01Å; F31-K394 HydrophobicContact CE1-CG 4.2Å; F31-K394 HydrophobicContact CZ-CB 4.29Å; F31-K394 HydrophobicContact CZ-CD 3.78Å; F31-K394 HydrophobicContact CZ-CG 4.31Å
32S93.5Very high95Very high74 Ų7441.7 Ų41.752%0.51722%0.215SC..THydrogen-bonded Turntrans-86.18178.3-61.50000113.9S30 R336S30-S32 PolarHBondContact O-N 3.05Å; S30-S32 VanDerWaalsContact O-N 3.16Å; S32-R336 PolarHBondContact O-NH2 3.34Å; S32-R336 VanDerWaalsContact O-NH2 3.14Å
33G95.8Very high95Very high7 Ų739.8 Ų39.87%0.07221%0.205CC..  trans102.4137.4-18000000112.3R8 S30 F31R8-G33 PolarHBondContact NE-O 3.37Å; R8-G33 PolarHBondContact NH2-O 2.92Å; S30-G33 WeakPolarHBondContact O-CA 3.46Å; S30-G33 PolarHBondContact O-N 3.03Å; F31-G33 VanDerWaalsContact C-N 3.26Å; F31-G33 PolarHBondContact O-N 2.8Å
34I97.3Very high95.1Very high7 Ų738.3 Ų38.34%0.03620%0.197CC..  trans-91.9139.4-178.4-58.1162.3000108.6F12 L40 R41 C44 D339F12-I34 HydrophobicContact CD1-CG2 4.38Å; F12-I34 HydrophobicContact CE1-CB 4.37Å; F12-I34 HydrophobicContact CE1-CG1 3.96Å; F12-I34 HydrophobicContact CE1-CG2 3.9Å; F12-I34 HydrophobicContact CZ-CB 4.29Å; F12-I34 HydrophobicContact CZ-CG1 3.99Å; F12-I34 HydrophobicContact CZ-CG2 4.17Å; I34-L40 HydrophobicContact CG2-CB 4.1Å; I34-R41 HydrophobicContact CB-CB 4.28Å; I34-R41 HydrophobicContact CB-CG 4.31Å; I34-R41 HydrophobicContact CD1-CG 4.26Å; I34-R41 HydrophobicContact CG2-CB 3.94Å; I34-R41 HydrophobicContact CG2-CG 4.46Å; I34-R41 PolarHBondContact O-NH2 2.97Å; I34-C44 HydrophobicContact CD1-CB 3.54Å; I34-C44 HydrophobicContact CG1-CB 4.43Å; I34-C44 HydrophobicContact CG2-CB 4.48Å; I34-D339 HydrophobicContact CD1-CB 4.27Å; I34-D339 HydrophobicContact CG1-CB 4.28Å; I34-D339 PolarHBondContact N-OD2 3.38Å
35P94.9Very high95.2Very high2 Ų235.9 Ų35.91%0.01318%0.182CC..  trans-58.2147.5173.5-25.135000112.5R8 I9 F12 L40R8-P35 HydrophobicContact CG-CG 4.18Å; I9-P35 HydrophobicContact CG1-CB 3.85Å; I9-P35 HydrophobicContact CG1-CG 4.04Å; F12-P35 HydrophobicContact CD2-CG 4.07Å; F12-P35 VanDerWaalsContact CE2-CD 3.48Å; F12-P35 HydrophobicContact CE2-CG 4.22Å; P35-L40 HydrophobicContact CB-CD1 4.05Å; P35-L40 HydrophobicContact CG-CD1 4.19Å
36H87.1Confident95.3Very high114 Ų11433.7 Ų33.753%0.52817%0.168SC..SBendtrans-80.2-24.2-179.4-17979.8000113.4Y5 R41Y5-H36 PolarHBondContact OH-N 3.38Å; H36-R41 PolarHBondContact ND1-NH1 3.15Å
37E87.1Confident95.3Very high59 Ų5933.8 Ų33.828%0.27617%0.169SC..G310 helixtrans-76.2158.6-173.8-60.382172.400112.4M1 Y5 I9 G39 L40M1-E37 HydrophobicContact CE-CG 3.85Å; M1-E37 VanDerWaalsContact CE-OE1 3.24Å; M1-E37 WeakPolarHBondContact CE-OE1 3.36Å; Y5-E37 VanDerWaalsContact CE1-CD 3.43Å; Y5-E37 WeakPolarHBondContact CE1-OE1 3.49Å; Y5-E37 WeakPolarHBondContact CE1-OE2 3.27Å; Y5-E37 PolarHBondContact OH-OE1 3.1Å; Y5-E37 PolarHBondContact OH-OE2 3.26Å; I9-E37 HydrophobicContact CD1-CB 4.37Å; E37-G39 PolarHBondContact O-N 2.67Å; E37-L40 WeakPolarHBondContact O-CG 3.47Å; E37-L40 PolarHBondContact O-N 3.25Å
38E85.9Confident95.3Very high116 Ų11631.6 Ų31.654%0.54216%0.161SC..G310 helixtrans58.820.3170-53.3-168.7-149.400115.2K13 L40K13-E38 VanDerWaalsContact CE-CD 3.45Å; K13-E38 WeakPolarHBondContact CE-OE2 3.49Å; K13-E38 IonicContact NZ-OE1 3.38Å; K13-E38 PolarHBondContact NZ-OE1 3.03Å; K13-E38 IonicContact NZ-OE2 2.87Å; K13-E38 PolarHBondContact NZ-OE2 3.3Å; E38-L40 PolarHBondContact O-N 3.31Å
39G92.2Very high95.4Very high9 Ų925.2 Ų25.29%0.09313%0.131CC..G310 helixtrans70.812.6176.500000113.8E37 R41 S42 L43 P246E37-G39 PolarHBondContact O-N 2.67Å; G39-R41 VanDerWaalsContact C-N 3.3Å; G39-R41 PolarHBondContact O-N 3.24Å; G39-S42 WeakPolarHBondContact O-CB 3.46Å; G39-S42 PolarHBondContact O-N 2.96Å; G39-L43 PolarHBondContact O-N 3.23Å; G39-L43 VanDerWaalsContact O-N 3.12Å; G39-P246 VanDerWaalsContact N-CG 3.3Å
40L96.7Very high95.5Very high11 Ų1128 Ų286%0.05815%0.146CC..Hα-helixtrans-56-44-176.4-70.4175.8000112.1I9 F12 L16 I34 P35 E37 E38 L43 C44I9-L40 HydrophobicContact CG1-CD1 4.44Å; I9-L40 HydrophobicContact CG2-CD1 4.18Å; F12-L40 HydrophobicContact CB-CD1 4.02Å; F12-L40 HydrophobicContact CB-CD2 4.22Å; L16-L40 HydrophobicContact CD1-CD2 3.78Å; I34-L40 HydrophobicContact CG2-CB 4.1Å; P35-L40 HydrophobicContact CB-CD1 4.05Å; P35-L40 HydrophobicContact CG-CD1 4.19Å; E37-L40 WeakPolarHBondContact O-CG 3.47Å; E37-L40 PolarHBondContact O-N 3.25Å; E38-L40 PolarHBondContact O-N 3.31Å; L40-L43 PolarHBondContact O-N 2.88Å; L40-C44 WeakPolarHBondContact O-CB 3.29Å; L40-C44 PolarHBondContact O-N 3.23Å; L40-C44 PolarHBondContact O-SG 3.29Å
41R97.5Very high95.5Very high32 Ų3228.2 Ų28.212%0.12115%0.147CC..Hα-helixtrans-62.6-46.2179-169.2177.9-59.593.31.2113I34 H36 G39 L43 C44 W45 T241 D339I34-R41 HydrophobicContact CB-CB 4.28Å; I34-R41 HydrophobicContact CB-CG 4.31Å; I34-R41 HydrophobicContact CD1-CG 4.26Å; I34-R41 HydrophobicContact CG2-CB 3.94Å; I34-R41 HydrophobicContact CG2-CG 4.46Å; I34-R41 PolarHBondContact O-NH2 2.97Å; H36-R41 PolarHBondContact ND1-NH1 3.15Å; G39-R41 VanDerWaalsContact C-N 3.3Å; G39-R41 PolarHBondContact O-N 3.24Å; R41-L43 VanDerWaalsContact C-N 3.29Å; R41-L43 PolarHBondContact O-N 2.8Å; R41-C44 PolarHBondContact O-N 3.28Å; R41-W45 HydrophobicContact CG-CD2 4.33Å; R41-W45 HydrophobicContact CG-CG 4.27Å; R41-W45 HydrophobicContact CG-CZ2 4.5Å; R41-W45 WeakPolarHBondContact O-CB 3.12Å; R41-W45 PolarHBondContact O-N 3.36Å; R41-T241 HydrophobicContact CB-CG2 4.33Å; R41-T241 HydrophobicContact CG-CG2 3.89Å; R41-D339 WeakPolarHBondContact CD-OD1 3.41Å; R41-D339 IonicContact NE-OD1 2.67Å; R41-D339 PolarHBondContact NE-OD1 3.27Å; R41-D339 IonicContact NE-OD2 3.16Å; R41-D339 PolarHBondContact NE-OD2 3.38Å
42S97.2Very high95.6Very high3 Ų327 Ų272%0.02114%0.142CC..Hα-helixtrans-55.4-46.4176.7159.70000110.9G39 K46 F242 D245G39-S42 WeakPolarHBondContact O-CB 3.46Å; G39-S42 PolarHBondContact O-N 2.96Å; S42-K46 VanDerWaalsContact O-CG 3.29Å; S42-K46 WeakPolarHBondContact O-CG 3.42Å; S42-K46 PolarHBondContact O-N 2.84Å; S42-K46 PolarHBondContact OG-NZ 3.32Å; S42-F242 WeakPolarHBondContact O-CE1 3.48Å; S42-D245 WeakPolarHBondContact CB-OD2 3.49Å; S42-D245 PolarHBondContact OG-OD2 3.43Å
43L97.5Very high95.8Very high31 Ų3125.1 Ų25.116%0.16213%0.128CC..Hα-helixtrans-67.7-46.7177.6-174.156.6000112.9L16 G39 L40 R41 W45 K46 I47 L52 W59 W250L16-L43 HydrophobicContact CD1-CD2 4.17Å; L16-L43 HydrophobicContact CD2-CD2 4.33Å; L16-L43 HydrophobicContact CD2-CG 4.49Å; G39-L43 PolarHBondContact O-N 3.23Å; G39-L43 VanDerWaalsContact O-N 3.12Å; L40-L43 PolarHBondContact O-N 2.88Å; R41-L43 VanDerWaalsContact C-N 3.29Å; R41-L43 PolarHBondContact O-N 2.8Å; L43-W45 PolarHBondContact O-N 2.85Å; L43-K46 PolarHBondContact O-N 2.62Å; L43-I47 HydrophobicContact CG-CD1 4.35Å; L43-I47 PolarHBondContact O-N 3.41Å; L43-L52 HydrophobicContact CD1-CD1 3.58Å; L43-W59 HydrophobicContact CD1-CH2 3.69Å; L43-W59 HydrophobicContact CD1-CZ3 3.79Å; L43-W59 HydrophobicContact CD2-CH2 4.19Å; L43-W59 HydrophobicContact CD2-CZ3 4.28Å; L43-W59 HydrophobicContact CG-CH2 4.29Å; L43-W250 HydrophobicContact CD1-CZ2 4.35Å
44C98.3Very high95.8Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-60.2-44179.4-680000111.6I34 L40 R41 K46 I47 L48I34-C44 HydrophobicContact CD1-CB 3.54Å; I34-C44 HydrophobicContact CG1-CB 4.43Å; I34-C44 HydrophobicContact CG2-CB 4.48Å; L40-C44 WeakPolarHBondContact O-CB 3.29Å; L40-C44 PolarHBondContact O-N 3.23Å; L40-C44 PolarHBondContact O-SG 3.29Å; R41-C44 PolarHBondContact O-N 3.28Å; C44-K46 PolarHBondContact O-N 2.88Å; C44-I47 PolarHBondContact O-N 3.3Å; C44-I47 VanDerWaalsContact O-N 3.14Å; C44-L48 WeakPolarHBondContact O-CB 3.34Å; C44-L48 VanDerWaalsContact O-CG 3.26Å; C44-L48 WeakPolarHBondContact O-CG 3.22Å; C44-L48 PolarHBondContact O-N 2.97Å
45W98.6Very high95.8Very high0 Ų030.2 Ų30.20%015%0.153CC..Hα-helixtrans-63.6-40.3178.7-80.125.5000112R41 L43 I47 L48 L49 I238 T241 F242 I335 W338 D339 F342R41-W45 HydrophobicContact CG-CD2 4.33Å; R41-W45 HydrophobicContact CG-CG 4.27Å; R41-W45 HydrophobicContact CG-CZ2 4.5Å; R41-W45 WeakPolarHBondContact O-CB 3.12Å; R41-W45 PolarHBondContact O-N 3.36Å; L43-W45 PolarHBondContact O-N 2.85Å; W45-I47 PolarHBondContact O-N 2.67Å; W45-L48 PolarHBondContact O-N 3.35Å; W45-L49 VanDerWaalsContact O-CB 3.22Å; W45-L49 WeakPolarHBondContact O-CB 3.46Å; W45-L49 VanDerWaalsContact O-CG 3.31Å; W45-L49 WeakPolarHBondContact O-CG 3.29Å; W45-L49 PolarHBondContact O-N 3.24Å; W45-I238 HydrophobicContact CZ3-CG1 4.36Å; W45-T241 HydrophobicContact CD2-CG2 4.2Å; W45-T241 HydrophobicContact CE3-CG2 3.98Å; W45-T241 HydrophobicContact CZ3-CG2 4.3Å; W45-T241 WeakPolarHBondContact CZ3-OG1 3.4Å; W45-F242 HydrophobicContact CB-CE1 3.95Å; W45-F242 HydrophobicContact CB-CZ 4.26Å; W45-I335 HydrophobicContact CH2-CB 4.35Å; W45-I335 HydrophobicContact CH2-CG1 4.09Å; W45-I335 HydrophobicContact CH2-CG2 4.14Å; W45-I335 HydrophobicContact CZ2-CB 4.4Å; W45-I335 HydrophobicContact CZ2-CG2 3.85Å; W45-W338 HydrophobicContact CH2-CB 3.98Å; W45-W338 HydrophobicContact CH2-CD2 4.47Å; W45-W338 AromaticContact CH2-CE3 3.7Å; W45-W338 HydrophobicContact CH2-CE3 3.7Å; W45-W338 HydrophobicContact CZ2-CB 3.75Å; W45-W338 AromaticContact CZ3-CE3 3.95Å; W45-W338 HydrophobicContact CZ3-CE3 3.95Å; W45-W338 HydrophobicContact CZ3-CZ3 4.47Å; W45-D339 PolarHBondContact NE1-OD1 3.49Å; W45-F342 AromaticContact CD2-CD2 3.88Å; W45-F342 HydrophobicContact CD2-CD2 3.88Å; W45-F342 AromaticContact CD2-CE2 3.82Å; W45-F342 HydrophobicContact CD2-CE2 3.82Å; W45-F342 AromaticContact CE2-CD2 3.88Å; W45-F342 AromaticContact CE2-CE2 3.96Å; W45-F342 HydrophobicContact CE3-CD2 4.35Å; W45-F342 AromaticContact CE3-CE2 3.82Å; W45-F342 HydrophobicContact CE3-CE2 3.82Å; W45-F342 HydrophobicContact CG-CD2 4.09Å; W45-F342 HydrophobicContact CG-CE2 4.44Å; W45-F342 HydrophobicContact CH2-CE2 4.11Å; W45-F342 HydrophobicContact CZ2-CD2 4.35Å; W45-F342 HydrophobicContact CZ2-CE2 4.11Å; W45-F342 AromaticContact CZ3-CE2 3.97Å; W45-F342 HydrophobicContact CZ3-CE2 3.97Å
46K98.6Very high95.9Very high0 Ų032.5 Ų32.50%016%0.163CC..Hα-helixtrans-58.8-35.1174-71.2173.8-178.4124.50112.3S42 L43 C44 Y51 L52 F242 W250 D257S42-K46 VanDerWaalsContact O-CG 3.29Å; S42-K46 WeakPolarHBondContact O-CG 3.42Å; S42-K46 PolarHBondContact O-N 2.84Å; S42-K46 PolarHBondContact OG-NZ 3.32Å; L43-K46 PolarHBondContact O-N 2.62Å; C44-K46 PolarHBondContact O-N 2.88Å; K46-Y51 HydrophobicContact CB-CD1 4.05Å; K46-Y51 HydrophobicContact CD-CD1 4.36Å; K46-Y51 HydrophobicContact CG-CD1 3.98Å; K46-Y51 WeakPolarHBondContact O-CA 3.45Å; K46-Y51 VanDerWaalsContact O-CB 3.27Å; K46-Y51 WeakPolarHBondContact O-CB 3.29Å; K46-Y51 PolarHBondContact O-N 2.7Å; K46-L52 HydrophobicContact CB-CD1 3.67Å; K46-L52 HydrophobicContact CB-CG 3.91Å; K46-L52 HydrophobicContact CD-CD1 4.14Å; K46-L52 PolarHBondContact O-N 2.8Å; K46-F242 HydrophobicContact CG-CE1 3.89Å; K46-F242 HydrophobicContact CG-CE2 4.14Å; K46-F242 HydrophobicContact CG-CZ 3.61Å; K46-W250 HydrophobicContact CD-CE3 4.28Å; K46-W250 HydrophobicContact CD-CH2 4.29Å; K46-W250 HydrophobicContact CD-CZ3 3.77Å; K46-D257 VanDerWaalsContact CE-OD2 3.28Å; K46-D257 WeakPolarHBondContact CE-OD2 3.43Å; K46-D257 IonicContact NZ-OD2 3.42Å
47I98.4Very high96.4Very high3 Ų331 Ų312%0.01516%0.163CC..Hα-helixtrans-76.7-48.9175.8-61.7160.1000110.9L16 I21 L23 L26 L43 C44 W45 L49 N50 L52 L54 W59L16-I47 HydrophobicContact CD2-CD1 3.76Å; I21-I47 HydrophobicContact CD1-CD1 3.46Å; I21-I47 VanDerWaalsContact CD1-CD1 3.46Å; I21-I47 HydrophobicContact CD1-CG1 4.41Å; L23-I47 HydrophobicContact CD1-CG2 4.15Å; L26-I47 HydrophobicContact CD2-CB 3.97Å; L26-I47 HydrophobicContact CD2-CD1 3.97Å; L26-I47 HydrophobicContact CD2-CG2 3.64Å; L43-I47 HydrophobicContact CG-CD1 4.35Å; L43-I47 PolarHBondContact O-N 3.41Å; C44-I47 PolarHBondContact O-N 3.3Å; C44-I47 VanDerWaalsContact O-N 3.14Å; W45-I47 PolarHBondContact O-N 2.67Å; I47-L49 VanDerWaalsContact C-N 3.29Å; I47-L49 PolarHBondContact O-N 2.7Å; I47-N50 PolarHBondContact O-N 3.16Å; I47-L52 HydrophobicContact CG1-CB 4.04Å; I47-L52 HydrophobicContact CG1-CD1 4.37Å; I47-L54 HydrophobicContact CG2-CD2 3.82Å; I47-W59 HydrophobicContact CD1-CH2 4.35Å; I47-W59 HydrophobicContact CD1-CZ2 4.19Å; I47-W59 HydrophobicContact CG1-CZ2 4.42Å
48L98.5Very high96.9Very high0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-67.7-26.4-175.2-68.6174.6000113.4L23 L26 R27 C44 W45 N50 F342 R347L23-L48 HydrophobicContact CD1-CD2 4.08Å; L26-L48 HydrophobicContact CD2-CD2 4.44Å; R27-L48 HydrophobicContact CG-CD2 3.73Å; C44-L48 WeakPolarHBondContact O-CB 3.34Å; C44-L48 VanDerWaalsContact O-CG 3.26Å; C44-L48 WeakPolarHBondContact O-CG 3.22Å; C44-L48 PolarHBondContact O-N 2.97Å; W45-L48 PolarHBondContact O-N 3.35Å; L48-N50 PolarHBondContact O-N 2.94Å; L48-F342 HydrophobicContact CB-CB 4Å; L48-F342 HydrophobicContact CD1-CB 4.31Å; L48-R347 PolarHBondContact O-NH2 3.18Å
49L98.3Very high97.4Very high0 Ų027.8 Ų27.80%015%0.149CC..THydrogen-bonded Turntrans-88.817.3172.2-63.6175000112.8W45 I47 Y51 I238 C261 N264 L265 F342W45-L49 VanDerWaalsContact O-CB 3.22Å; W45-L49 WeakPolarHBondContact O-CB 3.46Å; W45-L49 VanDerWaalsContact O-CG 3.31Å; W45-L49 WeakPolarHBondContact O-CG 3.29Å; W45-L49 PolarHBondContact O-N 3.24Å; I47-L49 VanDerWaalsContact C-N 3.29Å; I47-L49 PolarHBondContact O-N 2.7Å; L49-Y51 PolarHBondContact O-N 3.16Å; L49-Y51 VanDerWaalsContact O-N 3.16Å; L49-I238 HydrophobicContact CD1-CD1 4.29Å; L49-C261 HydrophobicContact CB-CB 4.25Å; L49-C261 HydrophobicContact CD1-CB 3.81Å; L49-N264 VanDerWaalsContact O-CB 3.25Å; L49-N264 WeakPolarHBondContact O-CB 3.14Å; L49-N264 PolarHBondContact O-ND2 3.38Å; L49-L265 HydrophobicContact CD2-CB 4.26Å; L49-L265 HydrophobicContact CD2-CD1 4.12Å; L49-F342 HydrophobicContact CD1-CD2 4.26Å; L49-F342 HydrophobicContact CD1-CE2 3.95Å; L49-F342 HydrophobicContact CD1-CZ 4.33Å; L49-F342 HydrophobicContact CD2-CD1 3.7Å; L49-F342 HydrophobicContact CD2-CD2 3.96Å; L49-F342 HydrophobicContact CD2-CE1 3.76Å; L49-F342 HydrophobicContact CD2-CE2 4Å; L49-F342 HydrophobicContact CD2-CG 3.81Å; L49-F342 HydrophobicContact CD2-CZ 3.9Å; L49-F342 HydrophobicContact CG-CD2 4.12Å; L49-F342 HydrophobicContact CG-CE2 4.24Å; L49-F342 HydrophobicContact CG-CG 4.35Å
50N97.4Very high97.6Very high87 Ų8734.1 Ų34.147%0.46518%0.18SC..THydrogen-bonded Turntrans58.527.4175.2-55.6-50.5000113.8I47 L48 N264 E268I47-N50 PolarHBondContact O-N 3.16Å; L48-N50 PolarHBondContact O-N 2.94Å; N50-N264 VanDerWaalsContact C-ND2 3.28Å; N50-N264 PolarHBondContact O-ND2 3Å; N50-E268 PolarHBondContact ND2-OE1 3.26Å; N50-E268 VanDerWaalsContact ND2-OE1 3.12Å
51Y98.3Very high97.7Very high6 Ų637.3 Ų37.32%0.02420%0.203CC..  trans-86.8-56.7177172.4-128000111.4K46 L49 F62 L63 Q66 D257 F260 C261K46-Y51 HydrophobicContact CB-CD1 4.05Å; K46-Y51 HydrophobicContact CD-CD1 4.36Å; K46-Y51 HydrophobicContact CG-CD1 3.98Å; K46-Y51 WeakPolarHBondContact O-CA 3.45Å; K46-Y51 VanDerWaalsContact O-CB 3.27Å; K46-Y51 WeakPolarHBondContact O-CB 3.29Å; K46-Y51 PolarHBondContact O-N 2.7Å; L49-Y51 PolarHBondContact O-N 3.16Å; L49-Y51 VanDerWaalsContact O-N 3.16Å; Y51-F62 AromaticContact CD2-CE1 3.99Å; Y51-F62 HydrophobicContact CD2-CE1 3.99Å; Y51-F62 HydrophobicContact CD2-CZ 4.35Å; Y51-F62 AromaticContact CE2-CE1 3.78Å; Y51-F62 HydrophobicContact CE2-CE1 3.78Å; Y51-F62 HydrophobicContact CE2-CZ 4.34Å; Y51-F62 WeakPolarHBondContact O-CE1 3.37Å; Y51-F62 WeakPolarHBondContact O-CZ 3.38Å; Y51-L63 HydrophobicContact CE1-CD2 3.84Å; Y51-L63 WeakPolarHBondContact OH-CD2 3.3Å; Y51-Q66 HydrophobicContact CE2-CB 4.09Å; Y51-Q66 HydrophobicContact CE2-CG 3.95Å; Y51-D257 HydrophobicContact CE1-CB 3.88Å; Y51-D257 PolarHBondContact OH-OD1 3.34Å; Y51-F260 HydrophobicContact CD2-CB 3.4Å; Y51-F260 VanDerWaalsContact CD2-CB 3.4Å; Y51-F260 HydrophobicContact CD2-CG 4.12Å; Y51-F260 HydrophobicContact CE2-CB 3.44Å; Y51-F260 VanDerWaalsContact CE2-CB 3.44Å; Y51-F260 AromaticContact CE2-CD2 3.68Å; Y51-F260 HydrophobicContact CE2-CD2 3.68Å; Y51-F260 AromaticContact CE2-CG 3.7Å; Y51-F260 HydrophobicContact CE2-CG 3.7Å; Y51-F260 HydrophobicContact CG-CB 4.2Å; Y51-C261 WeakPolarHBondContact CB-SG 3.4Å
52L98.2Very high97.7Very high6 Ų638.2 Ų38.23%0.03121%0.209CC..SBendtrans-80.6135.2177.4-75.4174.6000111.1L43 K46 I47 W59 F62 L63 W250L43-L52 HydrophobicContact CD1-CD1 3.58Å; K46-L52 HydrophobicContact CB-CD1 3.67Å; K46-L52 HydrophobicContact CB-CG 3.91Å; K46-L52 HydrophobicContact CD-CD1 4.14Å; K46-L52 PolarHBondContact O-N 2.8Å; I47-L52 HydrophobicContact CG1-CB 4.04Å; I47-L52 HydrophobicContact CG1-CD1 4.37Å; L52-W59 HydrophobicContact CB-CZ2 4.5Å; L52-W59 HydrophobicContact CD1-CD2 4.47Å; L52-W59 HydrophobicContact CD1-CH2 4.43Å; L52-W59 HydrophobicContact CD1-CZ2 4.18Å; L52-W59 HydrophobicContact CD2-CD2 4.42Å; L52-W59 HydrophobicContact CD2-CG 4.3Å; L52-F62 HydrophobicContact CD2-CD1 4.42Å; L52-L63 HydrophobicContact CD2-CD1 4.23Å; L52-L63 HydrophobicContact CD2-CD2 3.73Å; L52-L63 HydrophobicContact CD2-CG 3.94Å; L52-W250 HydrophobicContact CD1-CH2 4.25Å
53P97.5Very high97.8Very high35 Ų3538.6 Ų38.623%0.22721%0.21CC..  trans-65.5154171.828.9-32.9000110.5D55 L58 W59 F62P53-D55 VanDerWaalsContact C-N 3.28Å; P53-D55 PolarHBondContact O-N 3.46Å; P53-L58 HydrophobicContact CG-CB 4.14Å; P53-W59 PolarHBondContact O-NE1 3.38Å; P53-F62 HydrophobicContact CG-CG 4.35Å
54L97.6Very high97.8Very high66 Ų6645 Ų4535%0.34624%0.237SC..SBendtrans-69.4-28.2-179.3-59.8-179.6000112.9S20 I21 L23 I47 Q56S20-L54 WeakPolarHBondContact CA-O 3.42Å; I21-L54 PolarHBondContact N-O 2.92Å; L23-L54 HydrophobicContact CB-CD1 4.11Å; L23-L54 HydrophobicContact CB-CD2 4.07Å; L23-L54 HydrophobicContact CD1-CD2 4.25Å; L23-L54 HydrophobicContact CD2-CD1 4.4Å; L23-L54 HydrophobicContact CD2-CD2 4.42Å; L23-L54 HydrophobicContact CG-CD2 4.48Å; I47-L54 HydrophobicContact CG2-CD2 3.82Å; L54-Q56 PolarHBondContact O-N 3.06Å
55D97.1Very high97.8Very high54 Ų5452 Ų5229%0.28927%0.267SS..BIsolated β-bridgetrans-80.6113.6173.9-178.8-9.2000110.1P53 T57 L58 W59P53-D55 VanDerWaalsContact C-N 3.28Å; P53-D55 PolarHBondContact O-N 3.46Å; D55-T57 VanDerWaalsContact C-N 3.29Å; D55-T57 VanDerWaalsContact CG-OG1 3.27Å; D55-T57 PolarHBondContact O-N 2.74Å; D55-T57 WeakPolarHBondContact OD1-CB 3.41Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.19Å; D55-T57 PolarHBondContact OD1-N 2.7Å; D55-T57 PolarHBondContact OD1-OG1 2.95Å; D55-T57 PolarHBondContact OD2-OG1 2.74Å; D55-L58 HydrophobicContact CB-CD1 4.12Å; D55-L58 HydrophobicContact CB-CG 4.29Å; D55-L58 PolarHBondContact O-N 3.29Å; D55-W59 VanDerWaalsContact O-CD1 3.31Å
56Q96.2Very high97.8Very high50 Ų5054 Ų5423%0.23428%0.277CS..G310 helixtrans-70.1-24.7-176.6-60-160.445.400113.1L16 E18 E19 I21 L54 L58 W59L16-Q56 PolarHBondContact O-NE2 3.06Å; E18-Q56 PolarHBondContact O-NE2 3.34Å; E19-Q56 PolarHBondContact O-N 3.41Å; I21-Q56 HydrophobicContact CD1-CG 4.01Å; I21-Q56 HydrophobicContact CG1-CG 4.02Å; L54-Q56 PolarHBondContact O-N 3.06Å; Q56-L58 PolarHBondContact O-N 3.32Å; Q56-L58 VanDerWaalsContact O-N 3.11Å; Q56-W59 HydrophobicContact CB-CD2 4.23Å; Q56-W59 HydrophobicContact CG-CD2 4.29Å; Q56-W59 HydrophobicContact CG-CH2 3.95Å; Q56-W59 HydrophobicContact CG-CZ2 3.71Å; Q56-W59 HydrophobicContact CG-CZ3 4.35Å; Q56-W59 WeakPolarHBondContact O-CB 3.2Å; Q56-W59 PolarHBondContact O-N 3.37Å; Q56-W59 VanDerWaalsContact O-N 3.07Å
57T96.9Very high97.8Very high84 Ų8455.9 Ų55.952%0.51528%0.284SS..G310 helixtrans-63-21.9179.769.70000112.3E19 D55E19-T57 HydrophobicContact CG-CG2 3.7Å; E19-T57 WeakPolarHBondContact OE1-CG2 3.47Å; D55-T57 VanDerWaalsContact C-N 3.29Å; D55-T57 VanDerWaalsContact CG-OG1 3.27Å; D55-T57 PolarHBondContact O-N 2.74Å; D55-T57 WeakPolarHBondContact OD1-CB 3.41Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.19Å; D55-T57 PolarHBondContact OD1-N 2.7Å; D55-T57 PolarHBondContact OD1-OG1 2.95Å; D55-T57 PolarHBondContact OD2-OG1 2.74Å
58L97.3Very high97.8Very high81 Ų8160.6 Ų60.642%0.42431%0.305SS..G310 helixtrans-86.8-15.1-179.9-57.6179.6000113.3P53 D55 Q56 D60 S61 F62P53-L58 HydrophobicContact CG-CB 4.14Å; D55-L58 HydrophobicContact CB-CD1 4.12Å; D55-L58 HydrophobicContact CB-CG 4.29Å; D55-L58 PolarHBondContact O-N 3.29Å; Q56-L58 PolarHBondContact O-N 3.32Å; Q56-L58 VanDerWaalsContact O-N 3.11Å; L58-D60 PolarHBondContact O-N 3.24Å; L58-S61 PolarHBondContact O-N 3.05Å; L58-S61 PolarHBondContact O-OG 3.02Å; L58-F62 VanDerWaalsContact O-CB 3.27Å; L58-F62 WeakPolarHBondContact O-CB 3.48Å; L58-F62 PolarHBondContact O-N 3.07Å
59W97.1Very high97.7Very high26 Ų2662.5 Ų62.510%0.09832%0.317CS..Hα-helixtrans-58.2-49-166.3-76.711.5000113.5I21 L43 I47 L52 P53 D55 Q56 S61 F62 L63I21-W59 HydrophobicContact CD1-CH2 3.78Å; I21-W59 HydrophobicContact CD1-CZ2 3.48Å; I21-W59 VanDerWaalsContact CD1-CZ2 3.48Å; L43-W59 HydrophobicContact CD1-CH2 3.69Å; L43-W59 HydrophobicContact CD1-CZ3 3.79Å; L43-W59 HydrophobicContact CD2-CH2 4.19Å; L43-W59 HydrophobicContact CD2-CZ3 4.28Å; L43-W59 HydrophobicContact CG-CH2 4.29Å; I47-W59 HydrophobicContact CD1-CH2 4.35Å; I47-W59 HydrophobicContact CD1-CZ2 4.19Å; I47-W59 HydrophobicContact CG1-CZ2 4.42Å; L52-W59 HydrophobicContact CB-CZ2 4.5Å; L52-W59 HydrophobicContact CD1-CD2 4.47Å; L52-W59 HydrophobicContact CD1-CH2 4.43Å; L52-W59 HydrophobicContact CD1-CZ2 4.18Å; L52-W59 HydrophobicContact CD2-CD2 4.42Å; L52-W59 HydrophobicContact CD2-CG 4.3Å; P53-W59 PolarHBondContact O-NE1 3.38Å; D55-W59 VanDerWaalsContact O-CD1 3.31Å; Q56-W59 HydrophobicContact CB-CD2 4.23Å; Q56-W59 HydrophobicContact CG-CD2 4.29Å; Q56-W59 HydrophobicContact CG-CH2 3.95Å; Q56-W59 HydrophobicContact CG-CZ2 3.71Å; Q56-W59 HydrophobicContact CG-CZ3 4.35Å; Q56-W59 WeakPolarHBondContact O-CB 3.2Å; Q56-W59 PolarHBondContact O-N 3.37Å; Q56-W59 VanDerWaalsContact O-N 3.07Å; W59-S61 VanDerWaalsContact C-N 3.33Å; W59-S61 PolarHBondContact O-N 3.45Å; W59-F62 PolarHBondContact O-N 3.06Å; W59-L63 VanDerWaalsContact O-CB 3.31Å; W59-L63 WeakPolarHBondContact O-CB 3.27Å; W59-L63 WeakPolarHBondContact O-CG 3.38Å; W59-L63 PolarHBondContact O-N 3.38Å
60D97.3Very high97.7Very high141 Ų14162.7 Ų62.775%0.75432%0.318SS*.Hα-helixtrans-59.4-46.5-177.7-70.9-25000111.6L58 K64L58-D60 PolarHBondContact O-N 3.24Å; D60-K64 VanDerWaalsContact O-CB 3.29Å; D60-K64 WeakPolarHBondContact O-CB 3.42Å; D60-K64 PolarHBondContact O-N 2.96Å; D60-K64 VanDerWaalsContact O-N 3.16Å
61S98.1Very high97.5Very high78 Ų7859.9 Ų59.955%0.54531%0.305SS..Hα-helixtrans-67.4-39.9179.475.30000112.1L58 W59 K65L58-S61 PolarHBondContact O-N 3.05Å; L58-S61 PolarHBondContact O-OG 3.02Å; W59-S61 VanDerWaalsContact C-N 3.33Å; W59-S61 PolarHBondContact O-N 3.45Å; S61-K65 WeakPolarHBondContact O-CB 3.41Å; S61-K65 PolarHBondContact O-N 2.97Å; S61-K65 VanDerWaalsContact O-N 3.15Å
62F98.4Very high97.3Very high52 Ų5264 Ų6423%0.22832%0.324CS..Hα-helixtrans-69-51.3-178.7177.8-93.1000111.4Y51 L52 P53 L58 W59 K64 K65 Q66Y51-F62 AromaticContact CD2-CE1 3.99Å; Y51-F62 HydrophobicContact CD2-CE1 3.99Å; Y51-F62 HydrophobicContact CD2-CZ 4.35Å; Y51-F62 AromaticContact CE2-CE1 3.78Å; Y51-F62 HydrophobicContact CE2-CE1 3.78Å; Y51-F62 HydrophobicContact CE2-CZ 4.34Å; Y51-F62 WeakPolarHBondContact O-CE1 3.37Å; Y51-F62 WeakPolarHBondContact O-CZ 3.38Å; L52-F62 HydrophobicContact CD2-CD1 4.42Å; P53-F62 HydrophobicContact CG-CG 4.35Å; L58-F62 VanDerWaalsContact O-CB 3.27Å; L58-F62 WeakPolarHBondContact O-CB 3.48Å; L58-F62 PolarHBondContact O-N 3.07Å; W59-F62 PolarHBondContact O-N 3.06Å; F62-K64 VanDerWaalsContact C-N 3.34Å; F62-K64 PolarHBondContact O-N 3.26Å; F62-K65 WeakPolarHBondContact O-CB 3.35Å; F62-K65 PolarHBondContact O-N 2.71Å; F62-K65 VanDerWaalsContact O-N 3.15Å; F62-Q66 HydrophobicContact CD1-CG 4Å; F62-Q66 HydrophobicContact CD2-CG 4.4Å; F62-Q66 HydrophobicContact CE1-CG 3.6Å; F62-Q66 HydrophobicContact CE2-CG 4.04Å; F62-Q66 VanDerWaalsContact CE2-NE2 3.34Å; F62-Q66 HydrophobicContact CG-CG 4.39Å; F62-Q66 HydrophobicContact CZ-CG 3.62Å; F62-Q66 VanDerWaalsContact CZ-NE2 3.3Å; F62-Q66 WeakPolarHBondContact O-CG 3.39Å; F62-Q66 PolarHBondContact O-N 3.14Å
63L98.5Very high97Very high11 Ų1165.5 Ų65.56%0.05833%0.331CS..Hα-helixtrans-59.8-45.2179.5-74.8170.3000111.1Y51 L52 W59 K65 Q66 R67 W250Y51-L63 HydrophobicContact CE1-CD2 3.84Å; Y51-L63 WeakPolarHBondContact OH-CD2 3.3Å; L52-L63 HydrophobicContact CD2-CD1 4.23Å; L52-L63 HydrophobicContact CD2-CD2 3.73Å; L52-L63 HydrophobicContact CD2-CG 3.94Å; W59-L63 VanDerWaalsContact O-CB 3.31Å; W59-L63 WeakPolarHBondContact O-CB 3.27Å; W59-L63 WeakPolarHBondContact O-CG 3.38Å; W59-L63 PolarHBondContact O-N 3.38Å; L63-K65 VanDerWaalsContact C-N 3.3Å; L63-K65 PolarHBondContact O-N 2.98Å; L63-Q66 PolarHBondContact O-N 3.17Å; L63-R67 VanDerWaalsContact O-CB 3.32Å; L63-R67 WeakPolarHBondContact O-CB 3.43Å; L63-R67 WeakPolarHBondContact O-CD 3.43Å; L63-R67 VanDerWaalsContact O-CG 3.23Å; L63-R67 WeakPolarHBondContact O-CG 3.4Å; L63-R67 PolarHBondContact O-N 2.89Å; L63-W250 HydrophobicContact CD1-CH2 3.57Å; L63-W250 HydrophobicContact CD1-CZ2 4.44Å; L63-W250 HydrophobicContact CD1-CZ3 3.95Å; L63-W250 HydrophobicContact CD2-CH2 4.4Å; L63-W250 HydrophobicContact CD2-CZ3 4.15Å
64K98.3Very high96.7Very high165 Ų16564.1 Ų64.172%0.71732%0.321SS*.Hα-helixtrans-56.7-46.2175.9-176.4176.6-179.3177.60111.4D60 F62 E68D60-K64 VanDerWaalsContact O-CB 3.29Å; D60-K64 WeakPolarHBondContact O-CB 3.42Å; D60-K64 PolarHBondContact O-N 2.96Å; D60-K64 VanDerWaalsContact O-N 3.16Å; F62-K64 VanDerWaalsContact C-N 3.34Å; F62-K64 PolarHBondContact O-N 3.26Å; K64-E68 WeakPolarHBondContact O-CB 3.26Å; K64-E68 PolarHBondContact O-N 3.22Å; K64-E68 VanDerWaalsContact O-N 3.09Å
65K98.4Very high96.1Very high147 Ų14766.1 Ų66.164%0.63932%0.324SS*.Hα-helixtrans-63.6-48.6178.2-177.2-179.8177-1770111.8S61 F62 L63 R67 E68 V69S61-K65 WeakPolarHBondContact O-CB 3.41Å; S61-K65 PolarHBondContact O-N 2.97Å; S61-K65 VanDerWaalsContact O-N 3.15Å; F62-K65 WeakPolarHBondContact O-CB 3.35Å; F62-K65 PolarHBondContact O-N 2.71Å; F62-K65 VanDerWaalsContact O-N 3.15Å; L63-K65 VanDerWaalsContact C-N 3.3Å; L63-K65 PolarHBondContact O-N 2.98Å; K65-R67 PolarHBondContact O-N 2.92Å; K65-E68 PolarHBondContact O-N 3.48Å; K65-V69 WeakPolarHBondContact O-CG2 3.49Å; K65-V69 PolarHBondContact O-N 2.94Å
66Q98.3Very high95.4Very high42 Ų4268.4 Ų68.420%0.19633%0.333CS..Hα-helixtrans-63.8-42.7-178.1-67.9-64.71.200112Y51 F62 L63 E68 V69 Y70 F260Y51-Q66 HydrophobicContact CE2-CB 4.09Å; Y51-Q66 HydrophobicContact CE2-CG 3.95Å; F62-Q66 HydrophobicContact CD1-CG 4Å; F62-Q66 HydrophobicContact CD2-CG 4.4Å; F62-Q66 HydrophobicContact CE1-CG 3.6Å; F62-Q66 HydrophobicContact CE2-CG 4.04Å; F62-Q66 VanDerWaalsContact CE2-NE2 3.34Å; F62-Q66 HydrophobicContact CG-CG 4.39Å; F62-Q66 HydrophobicContact CZ-CG 3.62Å; F62-Q66 VanDerWaalsContact CZ-NE2 3.3Å; F62-Q66 WeakPolarHBondContact O-CG 3.39Å; F62-Q66 PolarHBondContact O-N 3.14Å; L63-Q66 PolarHBondContact O-N 3.17Å; Q66-E68 VanDerWaalsContact C-N 3.33Å; Q66-E68 PolarHBondContact O-N 2.83Å; Q66-V69 WeakPolarHBondContact O-CB 3.45Å; Q66-V69 PolarHBondContact O-N 3.3Å; Q66-Y70 PolarHBondContact O-N 3.34Å; Q66-F260 HydrophobicContact CB-CD2 4.12Å; Q66-F260 HydrophobicContact CB-CE2 3.71Å; Q66-F260 HydrophobicContact CB-CZ 4.09Å; Q66-F260 WeakPolarHBondContact O-CE2 3.47Å; Q66-F260 VanDerWaalsContact O-CZ 3.31Å; Q66-F260 WeakPolarHBondContact O-CZ 3.36Å
67R97.9Very high94.9Very high39 Ų3967.3 Ų67.315%0.14733%0.328CS..Hα-helixtrans-66.9-33.7178.1-67.9164.6-179.8174.5-3.7112.2L63 K65 S71 W250 H253 A256 D257L63-R67 VanDerWaalsContact O-CB 3.32Å; L63-R67 WeakPolarHBondContact O-CB 3.43Å; L63-R67 WeakPolarHBondContact O-CD 3.43Å; L63-R67 VanDerWaalsContact O-CG 3.23Å; L63-R67 WeakPolarHBondContact O-CG 3.4Å; L63-R67 PolarHBondContact O-N 2.89Å; K65-R67 PolarHBondContact O-N 2.92Å; R67-S71 WeakPolarHBondContact O-CB 3.06Å; R67-S71 PolarHBondContact O-N 2.8Å; R67-S71 PolarHBondContact O-OG 3.37Å; R67-W250 VanDerWaalsContact NH2-CZ3 3.27Å; R67-H253 HydrophobicContact CG-CB 4.42Å; R67-H253 VanDerWaalsContact CZ-CB 3.4Å; R67-H253 VanDerWaalsContact CZ-CG 3.46Å; R67-H253 PolarHBondContact NH1-CD2 3.15Å; R67-A256 HydrophobicContact CG-CB 4.11Å; R67-D257 IonicContact CZ-OD1 3.86Å; R67-D257 IonicContact CZ-OD2 3.88Å; R67-D257 IonicContact NE-OD1 3.78Å; R67-D257 PolarHBondContact NE-OD1 3.22Å; R67-D257 IonicContact NE-OD2 2.65Å; R67-D257 IonicContact NH2-OD1 2.87Å; R67-D257 PolarHBondContact NH2-OD1 3.32Å; R67-D257 IonicContact NH2-OD2 2.72Å; R67-D257 PolarHBondContact NH2-OD2 2.95Å
68E97.6Very high94Very high102 Ų10263.6 Ų63.648%0.47731%0.306SS..Hα-helixtrans-68-41.6170.9-172.660.9-13800111.8K64 K65 Q66 Y70 S71 Q72 R75K64-E68 WeakPolarHBondContact O-CB 3.26Å; K64-E68 PolarHBondContact O-N 3.22Å; K64-E68 VanDerWaalsContact O-N 3.09Å; K65-E68 PolarHBondContact O-N 3.48Å; Q66-E68 VanDerWaalsContact C-N 3.33Å; Q66-E68 PolarHBondContact O-N 2.83Å; E68-Y70 VanDerWaalsContact C-N 3.33Å; E68-Y70 PolarHBondContact O-N 3.02Å; E68-S71 CarbonylContact O-C 3.38Å; E68-S71 WeakPolarHBondContact O-CA 3.25Å; E68-S71 WeakPolarHBondContact O-CB 3.39Å; E68-S71 PolarHBondContact O-N 3.3Å; E68-S71 VanDerWaalsContact O-N 3.14Å; E68-Q72 PolarHBondContact O-N 3.06Å; E68-R75 IonicContact OE1-CZ 3.18Å; E68-R75 IonicContact OE1-NH1 2.84Å; E68-R75 PolarHBondContact OE1-NH1 3.12Å; E68-R75 IonicContact OE1-NH2 2.88Å
69V97.9Very high92.6Very high40 Ų4060.6 Ų60.624%0.24229%0.29CS..Hα-helixtrans-58.7-46175168.20000110.8K65 Q66 S71 Q72 F73 F260K65-V69 WeakPolarHBondContact O-CG2 3.49Å; K65-V69 PolarHBondContact O-N 2.94Å; Q66-V69 WeakPolarHBondContact O-CB 3.45Å; Q66-V69 PolarHBondContact O-N 3.3Å; V69-S71 VanDerWaalsContact C-N 3.32Å; V69-S71 PolarHBondContact O-N 3.42Å; V69-Q72 WeakPolarHBondContact O-CB 3.38Å; V69-Q72 PolarHBondContact O-N 3.05Å; V69-Q72 VanDerWaalsContact O-N 3.15Å; V69-F73 HydrophobicContact CG1-CD2 4.43Å; V69-F73 HydrophobicContact CG1-CE1 4.02Å; V69-F73 HydrophobicContact CG1-CE2 3.62Å; V69-F73 HydrophobicContact CG1-CZ 3.38Å; V69-F73 WeakPolarHBondContact O-CG 3.28Å; V69-F73 PolarHBondContact O-N 2.89Å; V69-F73 VanDerWaalsContact O-N 3.07Å; V69-F260 HydrophobicContact CB-CZ 4.39Å; V69-F260 HydrophobicContact CG1-CZ 4.19Å
70Y97.3Very high90.9Very high5 Ų563.9 Ų63.92%0.0231%0.306CS..Hα-helixtrans-61.5-41.4175.1-172.5-102.1000112.2Q66 E68 Q72 F73 L74 I217 E255 A256 F259Q66-Y70 PolarHBondContact O-N 3.34Å; E68-Y70 VanDerWaalsContact C-N 3.33Å; E68-Y70 PolarHBondContact O-N 3.02Å; Y70-Q72 VanDerWaalsContact C-N 3.26Å; Y70-Q72 PolarHBondContact O-N 2.87Å; Y70-F73 HydrophobicContact CD2-CD2 4.28Å; Y70-F73 WeakPolarHBondContact O-CB 3.19Å; Y70-F73 PolarHBondContact O-N 3.48Å; Y70-F73 VanDerWaalsContact O-N 3.08Å; Y70-L74 HydrophobicContact CD1-CD1 4.08Å; Y70-L74 HydrophobicContact CD1-CG 4.32Å; Y70-L74 HydrophobicContact CE1-CD1 3.91Å; Y70-L74 HydrophobicContact CE1-CD2 4.12Å; Y70-L74 HydrophobicContact CE1-CG 4.04Å; Y70-L74 PolarHBondContact O-N 2.89Å; Y70-L74 VanDerWaalsContact O-N 3.07Å; Y70-I217 HydrophobicContact CE2-CD1 3.85Å; Y70-I217 HydrophobicContact CE2-CG2 4.48Å; Y70-E255 HydrophobicContact CE1-CG 3.75Å; Y70-E255 VanDerWaalsContact CE1-OE1 3.31Å; Y70-E255 WeakPolarHBondContact CE1-OE1 3.44Å; Y70-E255 WeakPolarHBondContact OH-CG 3.25Å; Y70-E255 PolarHBondContact OH-OE1 2.98Å; Y70-A256 HydrophobicContact CD1-CB 3.61Å; Y70-A256 HydrophobicContact CE1-CB 4.33Å; Y70-A256 HydrophobicContact CG-CB 3.78Å; Y70-F259 HydrophobicContact CD2-CB 3.78Å; Y70-F259 AromaticContact CD2-CD1 3.57Å; Y70-F259 HydrophobicContact CD2-CD1 3.57Å; Y70-F259 HydrophobicContact CD2-CD2 4.3Å; Y70-F259 HydrophobicContact CD2-CE1 4.29Å; Y70-F259 AromaticContact CD2-CG 3.6Å; Y70-F259 HydrophobicContact CD2-CG 3.6Å; Y70-F259 HydrophobicContact CE2-CB 3.45Å; Y70-F259 VanDerWaalsContact CE2-CB 3.45Å; Y70-F259 AromaticContact CE2-CD1 3.91Å; Y70-F259 HydrophobicContact CE2-CD1 3.91Å; Y70-F259 AromaticContact CE2-CD2 3.79Å; Y70-F259 HydrophobicContact CE2-CD2 3.79Å; Y70-F259 AromaticContact CE2-CG 3.41Å; Y70-F259 HydrophobicContact CE2-CG 3.41Å; Y70-F259 VanDerWaalsContact CE2-CG 3.41Å
71S94.3Very high88.6Confident28 Ų2861.3 Ų61.320%0.19630%0.297CS..Hα-helixtrans-60.7-35.2174.9-59.60000112.6R67 E68 V69 L74 R75R67-S71 WeakPolarHBondContact O-CB 3.06Å; R67-S71 PolarHBondContact O-N 2.8Å; R67-S71 PolarHBondContact O-OG 3.37Å; E68-S71 CarbonylContact O-C 3.38Å; E68-S71 WeakPolarHBondContact O-CA 3.25Å; E68-S71 WeakPolarHBondContact O-CB 3.39Å; E68-S71 PolarHBondContact O-N 3.3Å; E68-S71 VanDerWaalsContact O-N 3.14Å; V69-S71 VanDerWaalsContact C-N 3.32Å; V69-S71 PolarHBondContact O-N 3.42Å; S71-L74 PolarHBondContact O-N 3.4Å; S71-R75 WeakPolarHBondContact O-CG 3.36Å; S71-R75 PolarHBondContact O-N 2.84Å
72Q92.4Very high86.2Confident91 Ų9158.6 Ų58.643%0.42528%0.282SS..Hα-helixtrans-65.9-41.6172.6-174.7175.51.300111.9E68 V69 Y70 L74 R75 E76E68-Q72 PolarHBondContact O-N 3.06Å; V69-Q72 WeakPolarHBondContact O-CB 3.38Å; V69-Q72 PolarHBondContact O-N 3.05Å; V69-Q72 VanDerWaalsContact O-N 3.15Å; Y70-Q72 VanDerWaalsContact C-N 3.26Å; Y70-Q72 PolarHBondContact O-N 2.87Å; Q72-L74 VanDerWaalsContact C-N 3.3Å; Q72-L74 PolarHBondContact O-N 2.87Å; Q72-R75 PolarHBondContact O-N 2.76Å; Q72-R75 VanDerWaalsContact O-N 3.15Å; Q72-E76 HydrophobicContact CG-CG 4.37Å; Q72-E76 VanDerWaalsContact CG-OE1 3.31Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.4Å; Q72-E76 PolarHBondContact NE2-OE1 3.35Å; Q72-E76 PolarHBondContact O-N 3.38Å
73F93.4Very high84Confident38 Ų3857.9 Ų57.917%0.16728%0.28CS..Hα-helixtrans-59.4-41.2174.7-58.5-30.5000112.2V69 Y70 R75 E76 M77 I217 L221 F259V69-F73 HydrophobicContact CG1-CD2 4.43Å; V69-F73 HydrophobicContact CG1-CE1 4.02Å; V69-F73 HydrophobicContact CG1-CE2 3.62Å; V69-F73 HydrophobicContact CG1-CZ 3.38Å; V69-F73 WeakPolarHBondContact O-CG 3.28Å; V69-F73 PolarHBondContact O-N 2.89Å; V69-F73 VanDerWaalsContact O-N 3.07Å; Y70-F73 HydrophobicContact CD2-CD2 4.28Å; Y70-F73 WeakPolarHBondContact O-CB 3.19Å; Y70-F73 PolarHBondContact O-N 3.48Å; Y70-F73 VanDerWaalsContact O-N 3.08Å; F73-R75 VanDerWaalsContact C-N 3.33Å; F73-R75 PolarHBondContact O-N 2.64Å; F73-E76 PolarHBondContact O-N 3.21Å; F73-M77 HydrophobicContact CD1-CE 4.39Å; F73-M77 VanDerWaalsContact O-CB 3.25Å; F73-M77 WeakPolarHBondContact O-CB 3.34Å; F73-M77 WeakPolarHBondContact O-CG 3.15Å; F73-M77 PolarHBondContact O-N 3Å; F73-I217 HydrophobicContact CB-CG2 3.91Å; F73-I217 HydrophobicContact CD2-CG2 4.19Å; F73-I217 HydrophobicContact CG-CG2 4.34Å; F73-L221 HydrophobicContact CD1-CD1 4.4Å; F73-L221 HydrophobicContact CD2-CD1 3.84Å; F73-L221 HydrophobicContact CE1-CD1 4.32Å; F73-L221 HydrophobicContact CE1-CD2 4.23Å; F73-L221 HydrophobicContact CE2-CD1 3.75Å; F73-L221 HydrophobicContact CG-CD1 4.18Å; F73-L221 HydrophobicContact CZ-CD1 4Å; F73-L221 HydrophobicContact CZ-CD2 4.45Å; F73-F259 HydrophobicContact CD2-CE1 4.12Å; F73-F259 HydrophobicContact CD2-CZ 4.29Å; F73-F259 AromaticContact CE2-CE1 3.84Å; F73-F259 HydrophobicContact CE2-CE1 3.84Å; F73-F259 HydrophobicContact CE2-CZ 4.16Å
74L89.9Confident81.6Confident6 Ų658 Ų583%0.03128%0.283CS..Hα-helixtrans-57-47.6174.4-65.4171000111.4Y70 S71 Q72 E76 I78 I79 L147 I148 R213 I217Y70-L74 HydrophobicContact CD1-CD1 4.08Å; Y70-L74 HydrophobicContact CD1-CG 4.32Å; Y70-L74 HydrophobicContact CE1-CD1 3.91Å; Y70-L74 HydrophobicContact CE1-CD2 4.12Å; Y70-L74 HydrophobicContact CE1-CG 4.04Å; Y70-L74 PolarHBondContact O-N 2.89Å; Y70-L74 VanDerWaalsContact O-N 3.07Å; S71-L74 PolarHBondContact O-N 3.4Å; Q72-L74 VanDerWaalsContact C-N 3.3Å; Q72-L74 PolarHBondContact O-N 2.87Å; L74-E76 PolarHBondContact O-N 3.21Å; L74-I78 HydrophobicContact CD2-CG1 4.18Å; L74-I78 VanDerWaalsContact O-CB 3.3Å; L74-I78 WeakPolarHBondContact O-CB 3.31Å; L74-I78 PolarHBondContact O-N 3.27Å; L74-I78 VanDerWaalsContact O-N 3.1Å; L74-I79 PolarHBondContact O-N 2.87Å; L74-L147 HydrophobicContact CD1-CD1 4.3Å; L74-I148 HydrophobicContact CD2-CD1 3.9Å; L74-R213 HydrophobicContact CD2-CG 3.9Å; L74-I217 HydrophobicContact CD2-CD1 3.56Å; L74-I217 HydrophobicContact CG-CD1 4.28Å
75R84.9Confident79Confident108 Ų10855.2 Ų55.241%0.40827%0.271SS..Hα-helixtrans-63.3-41.3-179.7-68.1173.3-171.1128.1-0.8112.8E68 S71 Q72 F73 I79E68-R75 IonicContact OE1-CZ 3.18Å; E68-R75 IonicContact OE1-NH1 2.84Å; E68-R75 PolarHBondContact OE1-NH1 3.12Å; E68-R75 IonicContact OE1-NH2 2.88Å; S71-R75 WeakPolarHBondContact O-CG 3.36Å; S71-R75 PolarHBondContact O-N 2.84Å; Q72-R75 PolarHBondContact O-N 2.76Å; Q72-R75 VanDerWaalsContact O-N 3.15Å; F73-R75 VanDerWaalsContact C-N 3.33Å; F73-R75 PolarHBondContact O-N 2.64Å; R75-I79 HydrophobicContact CG-CD1 4.38Å
76E83.6Confident76.6Confident102 Ų10249.7 Ų49.748%0.47725%0.252SS..Hα-helixtrans-83.8-35.1-174.4-68.8179.1-171.900113.2Q72 F73 L74Q72-E76 HydrophobicContact CG-CG 4.37Å; Q72-E76 VanDerWaalsContact CG-OE1 3.31Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.4Å; Q72-E76 PolarHBondContact NE2-OE1 3.35Å; Q72-E76 PolarHBondContact O-N 3.38Å; F73-E76 PolarHBondContact O-N 3.21Å; L74-E76 PolarHBondContact O-N 3.21Å
77M84.4Confident74.1Confident27 Ų2752.5 Ų52.513%0.13327%0.268CS..Hα-helixtrans-106.4-26.3-167.4-57-168.8178.700114.5F73 I217 K220 L221F73-M77 HydrophobicContact CD1-CE 4.39Å; F73-M77 VanDerWaalsContact O-CB 3.25Å; F73-M77 WeakPolarHBondContact O-CB 3.34Å; F73-M77 WeakPolarHBondContact O-CG 3.15Å; F73-M77 PolarHBondContact O-N 3Å; M77-I217 HydrophobicContact SD-CG2 4.43Å; M77-K220 HydrophobicContact CB-CD 4.13Å; M77-K220 PolarHBondContact O-NZ 3.19Å; M77-K220 HydrophobicContact SD-CB 3.83Å; M77-L221 HydrophobicContact CE-CD2 3.39Å; M77-L221 HydrophobicContact CE-CG 3.73Å; M77-L221 HydrophobicContact SD-CD2 4.39Å; M77-L221 HydrophobicContact SD-CG 4.07Å
78I79.3Confident71.7Confident7 Ų755.1 Ų55.14%0.03629%0.285CS..THydrogen-bonded Turntrans-101.6-50.5179.8-49.6-58.9000110.7L74 Q80 I148 L158 R213 F216 I217L74-I78 HydrophobicContact CD2-CG1 4.18Å; L74-I78 VanDerWaalsContact O-CB 3.3Å; L74-I78 WeakPolarHBondContact O-CB 3.31Å; L74-I78 PolarHBondContact O-N 3.27Å; L74-I78 VanDerWaalsContact O-N 3.1Å; I78-Q80 PolarHBondContact O-N 3.3Å; I78-Q80 VanDerWaalsContact O-N 3.12Å; I78-I148 HydrophobicContact CB-CD1 4.4Å; I78-I148 HydrophobicContact CG2-CD1 3.89Å; I78-I148 HydrophobicContact CG2-CG1 4.34Å; I78-L158 HydrophobicContact CD1-CD1 4.14Å; I78-L158 HydrophobicContact CD1-CD2 4.1Å; I78-L158 HydrophobicContact CD1-CG 4.38Å; I78-L158 HydrophobicContact CG2-CD2 4.19Å; I78-L158 HydrophobicContact CG2-CG 4.17Å; I78-R213 HydrophobicContact CD1-CG 4.37Å; I78-R213 HydrophobicContact CG1-CG 4.45Å; I78-F216 HydrophobicContact CD1-CD1 3.38Å; I78-F216 HydrophobicContact CD1-CE1 3.73Å; I78-I217 HydrophobicContact CD1-CD1 4.46Å; I78-I217 HydrophobicContact CD1-CG1 4Å; I78-I217 HydrophobicContact CG1-CD1 4.35Å; I78-I217 HydrophobicContact CG1-CG1 4.33Å
79I67Low69.1Low18 Ų1853.8 Ų53.89%0.09230%0.298CS..SBendtrans-77.24.2-168.5-74.1164.8000113.8L74 R75 L147 I148 Y155L74-I79 PolarHBondContact O-N 2.87Å; R75-I79 HydrophobicContact CG-CD1 4.38Å; I79-L147 HydrophobicContact CD1-CB 4.35Å; I79-I148 HydrophobicContact CD1-CG1 4.23Å; I79-I148 HydrophobicContact CG1-CG1 4.3Å; I79-Y155 HydrophobicContact CB-CD2 4.38Å; I79-Y155 HydrophobicContact CB-CG 4.39Å; I79-Y155 HydrophobicContact CD1-CD2 4.34Å; I79-Y155 HydrophobicContact CD1-CE2 4.4Å; I79-Y155 HydrophobicContact CG1-CD2 3.95Å; I79-Y155 HydrophobicContact CG1-CE2 4.37Å; I79-Y155 HydrophobicContact CG1-CG 4.29Å; I79-Y155 HydrophobicContact CG2-CD1 3.62Å; I79-Y155 HydrophobicContact CG2-CD2 3.7Å; I79-Y155 HydrophobicContact CG2-CE1 3.51Å; I79-Y155 HydrophobicContact CG2-CE2 3.6Å; I79-Y155 HydrophobicContact CG2-CG 3.73Å
80Q61.7Low66.8Low94 Ų9457 Ų5744%0.43931%0.314SS..  trans-37.6121.6-164.8-122.5-179.515.700115.3I78 G82I78-Q80 PolarHBondContact O-N 3.3Å; I78-Q80 VanDerWaalsContact O-N 3.12Å; Q80-G82 VanDerWaalsContact C-N 3.29Å; Q80-G82 PolarHBondContact O-N 2.88Å
81P48.5Very low64.4Low87 Ų8761.9 Ų61.957%0.56535%0.349SS*.THydrogen-bonded Turntrans-75.36-161.126.5-36.4000117.5
82G47.8Very low62.6Low22 Ų2265.8 Ų65.823%0.22736%0.359CS..THydrogen-bonded Turntrans-75.8-48.6-173.500000113.7Q80Q80-G82 VanDerWaalsContact C-N 3.29Å; Q80-G82 PolarHBondContact O-N 2.88Å
83I52.2Low60.6Low36 Ų3665.2 Ų65.219%0.18537%0.37CS..THydrogen-bonded Turntrans-80-32.7-170.1-59.5174000111.9K85 A86 W110 Y113 E156I83-K85 PolarHBondContact O-N 3.08Å; I83-A86 WeakPolarHBondContact O-CB 3.47Å; I83-A86 PolarHBondContact O-N 2.78Å; I83-A86 VanDerWaalsContact O-N 3.13Å; I83-W110 HydrophobicContact CD1-CH2 4.48Å; I83-W110 HydrophobicContact CG1-CH2 4.37Å; I83-Y113 HydrophobicContact CD1-CD2 4.24Å; I83-Y113 HydrophobicContact CD1-CE1 4.28Å; I83-Y113 HydrophobicContact CD1-CE2 3.52Å; I83-E156 WeakPolarHBondContact CD1-OE2 3.27Å
84A48Very low58.8Low14 Ų1464.1 Ų64.112%0.11637%0.366CS..G310 helixtrans-56.3-36.9179.100000112.7A86 N87 E154A84-A86 PolarHBondContact O-N 3.34Å; A84-N87 PolarHBondContact O-N 3.06Å; A84-E154 HydrophobicContact CB-CB 4.42Å; A84-E154 VanDerWaalsContact CB-O 3.23Å; A84-E154 WeakPolarHBondContact CB-O 3.38Å
85K44.9Very low57.3Low107 Ų10765.8 Ų65.847%0.46538%0.376SS..G310 helixtrans-66.3-20.5-178.8-69.7-173.4179-178.20114.5I83 N87 L88I83-K85 PolarHBondContact O-N 3.08Å; K85-N87 VanDerWaalsContact C-N 3.32Å; K85-N87 PolarHBondContact O-N 3.45Å; K85-L88 PolarHBondContact O-N 3.39Å
86A47.8Very low56.4Low30 Ų3063.8 Ų63.825%0.24838%0.376CS..G310 helixtrans-70.6-27.4-179.700000113I83 A84 L88 R92I83-A86 WeakPolarHBondContact O-CB 3.47Å; I83-A86 PolarHBondContact O-N 2.78Å; I83-A86 VanDerWaalsContact O-N 3.13Å; A84-A86 PolarHBondContact O-N 3.34Å; A86-L88 VanDerWaalsContact C-N 3.33Å; A86-R92 HydrophobicContact CB-CG 4.16Å
87N44.9Very low55.4Low101 Ų10167.1 Ų67.154%0.5440%0.396SS..G310 helixtrans-78.9-17.1-179.2-66.4-33.3000113A84 K85 G89A84-N87 PolarHBondContact O-N 3.06Å; K85-N87 VanDerWaalsContact C-N 3.32Å; K85-N87 PolarHBondContact O-N 3.45Å; N87-G89 VanDerWaalsContact C-N 3.35Å
88L47.7Very low54.3Low94 Ų9473.2 Ų73.249%0.49242%0.424SS..G310 helixtrans-86.83.5179-76.5164.5000114.2K85 A86 L90 E154K85-L88 PolarHBondContact O-N 3.39Å; A86-L88 VanDerWaalsContact C-N 3.33Å; L88-L90 HydrophobicContact CB-CD1 3.97Å; L88-L90 HydrophobicContact CB-CG 4.25Å; L88-L90 HydrophobicContact CD1-CD1 4.2Å; L88-L90 PolarHBondContact O-N 2.93Å; L88-L90 VanDerWaalsContact O-N 3.13Å; L88-E154 WeakPolarHBondContact CD1-OE2 3.42Å; L88-E154 WeakPolarHBondContact CD2-OE1 3.29Å; L88-E154 WeakPolarHBondContact CG-OE2 3.45Å
89G43.5Very low53.7Low74 Ų7473.7 Ų73.776%0.76343%0.427SS*.THydrogen-bonded Turntrans65.811.8-175.600000114.2N87N87-G89 VanDerWaalsContact C-N 3.35Å
90L49.4Very low53.8Low107 Ų10776.4 Ų76.456%0.5644%0.439SS*.  trans-78143.8170.9-70.2162.7000109.2L88 R92L88-L90 HydrophobicContact CB-CD1 3.97Å; L88-L90 HydrophobicContact CB-CG 4.25Å; L88-L90 HydrophobicContact CD1-CD1 4.2Å; L88-L90 PolarHBondContact O-N 2.93Å; L88-L90 VanDerWaalsContact O-N 3.13Å; L90-R92 PolarHBondContact O-N 2.83Å
91S47.8Very low54.2Low108 Ų10873.5 Ų73.576%0.75543%0.429SS*.  trans-52.2131.2175.1-175.70000110.2A93S91-A93 PolarHBondContact O-N 3.31Å
92R54.8Low55.4Low111 Ų11176.6 Ų76.642%0.41944%0.439SS..  trans-62.979.6173.5-81.4-163.7175.4-161.1-4.8110.3A86 L90 D94 V95A86-R92 HydrophobicContact CB-CG 4.16Å; L90-R92 PolarHBondContact O-N 2.83Å; R92-D94 WeakPolarHBondContact CA-OD1 3.44Å; R92-D94 WeakPolarHBondContact CB-OD1 3.02Å; R92-D94 PolarHBondContact O-N 3.25Å; R92-D94 VanDerWaalsContact O-N 3.13Å; R92-V95 HydrophobicContact CB-CB 4.17Å; R92-V95 HydrophobicContact CB-CG2 4.07Å; R92-V95 PolarHBondContact O-N 3.44Å; R92-V95 VanDerWaalsContact O-N 3.14Å
93A51.5Low56.4Low79 Ų7977.5 Ų77.565%0.65344%0.439SS*.THydrogen-bonded Turntrans-65.4-9.4175.300000112.6S91S91-A93 PolarHBondContact O-N 3.31Å
94D54.9Low57.3Low15 Ų1581.3 Ų81.38%0.0847%0.466CS..THydrogen-bonded Turntrans-85.6-14.3175.461.2-44.7000113.9R92 R109R92-D94 WeakPolarHBondContact CA-OD1 3.44Å; R92-D94 WeakPolarHBondContact CB-OD1 3.02Å; R92-D94 PolarHBondContact O-N 3.25Å; R92-D94 VanDerWaalsContact O-N 3.13Å; D94-R109 PolarHBondContact O-NH2 2.91Å
95V59.6Low58.6Low40 Ų4083.3 Ų83.324%0.24248%0.475CS..  trans-109.4102.4-179.8-179.40000109.7R92 D99 H100 W110R92-V95 HydrophobicContact CB-CB 4.17Å; R92-V95 HydrophobicContact CB-CG2 4.07Å; R92-V95 PolarHBondContact O-N 3.44Å; R92-V95 VanDerWaalsContact O-N 3.14Å; V95-D99 WeakPolarHBondContact CA-O 3.46Å; V95-H100 HydrophobicContact CG1-CB 4.32Å; V95-H100 WeakPolarHBondContact CG1-CD2 3.37Å; V95-W110 HydrophobicContact CG2-CZ2 4.13Å
96T65.6Low60Low67 Ų6782.3 Ų82.341%0.41148%0.479SS..  trans-112.4169175.4710000109.9E98 D99T96-E98 PolarHBondContact O-N 3.27Å; T96-E98 PolarHBondContact OG1-N 3.47Å; T96-D99 PolarHBondContact N-O 2.82Å; T96-D99 CarbonylContact O-C 3.28Å; T96-D99 VanDerWaalsContact O-C 3.28Å; T96-D99 PolarHBondContact O-N 3.31Å; T96-D99 PolarHBondContact OG1-N 3.4Å; T96-D99 VanDerWaalsContact OG1-N 3.1Å
97L62Low61.3Low171 Ų17187.6 Ų87.690%0.89550%0.504SS*.SBendtrans-56.4-34172.5-80161.1000112N103L97-N103 PolarHBondContact O-ND2 2.87Å; L97-N103 VanDerWaalsContact O-ND2 3.14Å
98E61.7Low62.7Low156 Ų15683 Ų8373%0.72948%0.479SS*.SBendtrans-86.9-15.2-178-61.7-173.817300113.4T96 N103T96-E98 PolarHBondContact O-N 3.27Å; T96-E98 PolarHBondContact OG1-N 3.47Å; E98-N103 VanDerWaalsContact C-ND2 3.26Å; E98-N103 PolarHBondContact O-ND2 3.22Å
99D65.6Low64Low17 Ų1785.1 Ų85.19%0.09148%0.48CS..SBendtrans-142.683.8-177.6-167.525.6000110.4V95 T96 S108 R109V95-D99 WeakPolarHBondContact CA-O 3.46Å; T96-D99 PolarHBondContact N-O 2.82Å; T96-D99 CarbonylContact O-C 3.28Å; T96-D99 VanDerWaalsContact O-C 3.28Å; T96-D99 PolarHBondContact O-N 3.31Å; T96-D99 PolarHBondContact OG1-N 3.4Å; T96-D99 VanDerWaalsContact OG1-N 3.1Å; D99-S108 WeakPolarHBondContact OD1-CA 3.32Å; D99-S108 WeakPolarHBondContact OD1-CB 3.37Å; D99-S108 PolarHBondContact OD1-OG 3.5Å; D99-R109 PolarHBondContact OD1-N 3.05Å; D99-R109 IonicContact OD2-CZ 3.7Å; D99-R109 VanDerWaalsContact OD2-CZ 3.23Å; D99-R109 IonicContact OD2-NE 3.35Å; D99-R109 PolarHBondContact OD2-NE 3.31Å; D99-R109 IonicContact OD2-NH2 3.56Å; D99-R109 PolarHBondContact OD2-NH2 3.47Å
100H70.9Confident65.5Low74 Ų7482.8 Ų82.834%0.34345%0.449SS..  trans-131150.8-176.3-175.7-78.6000110.2V95 L102 N103 W110V95-H100 HydrophobicContact CG1-CB 4.32Å; V95-H100 WeakPolarHBondContact CG1-CD2 3.37Å; H100-L102 PolarHBondContact ND1-N 2.92Å; H100-L102 VanDerWaalsContact ND1-N 3.1Å; H100-L102 PolarHBondContact O-N 3.14Å; H100-N103 HydrophobicContact CB-CB 4.3Å; H100-N103 VanDerWaalsContact O-CB 3.29Å; H100-N103 WeakPolarHBondContact O-CB 3.47Å; H100-N103 PolarHBondContact O-N 3.4Å; H100-W110 VanDerWaalsContact C-CD1 3.5Å
101P69.9Low66.7Low34 Ų3479.5 Ų79.522%0.22143%0.432CS..THydrogen-bonded Turntrans-50.8-16.2176-2930.4000117.8W110 F114P101-W110 HydrophobicContact CB-CD2 4.11Å; P101-W110 HydrophobicContact CB-CE3 4.09Å; P101-W110 HydrophobicContact CB-CG 4.44Å; P101-W110 HydrophobicContact CG-CD2 3.55Å; P101-W110 HydrophobicContact CG-CE3 3.76Å; P101-W110 HydrophobicContact CG-CG 4.1Å; P101-W110 HydrophobicContact CG-CH2 4.08Å; P101-W110 HydrophobicContact CG-CZ2 3.88Å; P101-W110 HydrophobicContact CG-CZ3 4.02Å; P101-F114 HydrophobicContact CB-CE2 4.2Å; P101-F114 HydrophobicContact CB-CZ 4.13Å; P101-F114 WeakPolarHBondContact O-CE2 3.25Å
102L72.1Confident68.3Low151 Ų15177.6 Ų77.679%0.79142%0.415SS*.THydrogen-bonded Turntrans-1154.5-176.8-59.5178.8000111.6H100H100-L102 PolarHBondContact ND1-N 2.92Å; H100-L102 VanDerWaalsContact ND1-N 3.1Å; H100-L102 PolarHBondContact O-N 3.14Å
103N70.8Confident69.5Low42 Ų4273.3 Ų73.323%0.22540%0.399CS..  trans-81.5122.6-179.8-169.2-28.8000109.1L97 E98 H100 N105L97-N103 PolarHBondContact O-ND2 2.87Å; L97-N103 VanDerWaalsContact O-ND2 3.14Å; E98-N103 VanDerWaalsContact C-ND2 3.26Å; E98-N103 PolarHBondContact O-ND2 3.22Å; H100-N103 HydrophobicContact CB-CB 4.3Å; H100-N103 VanDerWaalsContact O-CB 3.29Å; H100-N103 WeakPolarHBondContact O-CB 3.47Å; H100-N103 PolarHBondContact O-N 3.4Å; N103-N105 PolarHBondContact O-N 3.33Å; N103-N105 WeakPolarHBondContact OD1-CB 3.25Å; N103-N105 PolarHBondContact OD1-N 3.33Å
104P70.6Confident71Confident115 Ų11573.7 Ų73.775%0.74739%0.386SS*.  trans-76.20.2179.932.8-36.6000113.6
105N75.7Confident72.4Confident57 Ų5777.9 Ų77.931%0.30540%0.404SS..  trans-54.5123.4179.7-175.1-3000110.7N103 D107 S108 N111N103-N105 PolarHBondContact O-N 3.33Å; N103-N105 WeakPolarHBondContact OD1-CB 3.25Å; N103-N105 PolarHBondContact OD1-N 3.33Å; N105-D107 PolarHBondContact O-N 2.93Å; N105-D107 PolarHBondContact OD1-N 3.09Å; N105-S108 WeakPolarHBondContact O-CB 3.47Å; N105-S108 PolarHBondContact O-N 3.39Å; N105-N111 PolarHBondContact O-ND2 3.42Å; N105-N111 VanDerWaalsContact O-ND2 3.15Å
106P72.8Confident73.7Confident86 Ų8676.7 Ų76.756%0.55840%0.396SS*.THydrogen-bonded Turntrans-60.7-26177.523.4-34000113.7
107D74.6Confident74.7Confident141 Ų14173.7 Ų73.775%0.75438%0.378SS*.THydrogen-bonded Turntrans-90.62.7-179.1-58.7-38.9000113.2N105N105-D107 PolarHBondContact O-N 2.93Å; N105-D107 PolarHBondContact OD1-N 3.09Å
108S75.9Confident76Confident3 Ų371.6 Ų71.62%0.02136%0.363CS..  trans-69.5135.8177.2170.60000111.3D99 N105 W110 N111 T112D99-S108 WeakPolarHBondContact OD1-CA 3.32Å; D99-S108 WeakPolarHBondContact OD1-CB 3.37Å; D99-S108 PolarHBondContact OD1-OG 3.5Å; N105-S108 WeakPolarHBondContact O-CB 3.47Å; N105-S108 PolarHBondContact O-N 3.39Å; S108-W110 PolarHBondContact O-N 3.38Å; S108-W110 PolarHBondContact OG-N 3.01Å; S108-N111 WeakPolarHBondContact O-CB 3.49Å; S108-N111 PolarHBondContact O-N 3.31Å; S108-N111 VanDerWaalsContact O-N 3.08Å; S108-T112 PolarHBondContact O-N 3.14Å; S108-T112 VanDerWaalsContact O-N 3.14Å; S108-T112 PolarHBondContact O-OG1 3.47Å
109R73.6Confident77.4Confident139 Ų13966 Ų6653%0.52534%0.338SS..Hα-helixtrans-61-31173.9-68-177.2-66.61771.3111.5D94 D99 Y113D94-R109 PolarHBondContact O-NH2 2.91Å; D99-R109 PolarHBondContact OD1-N 3.05Å; D99-R109 IonicContact OD2-CZ 3.7Å; D99-R109 VanDerWaalsContact OD2-CZ 3.23Å; D99-R109 IonicContact OD2-NE 3.35Å; D99-R109 PolarHBondContact OD2-NE 3.31Å; D99-R109 IonicContact OD2-NH2 3.56Å; D99-R109 PolarHBondContact OD2-NH2 3.47Å; R109-Y113 VanDerWaalsContact O-CB 3.29Å; R109-Y113 WeakPolarHBondContact O-CB 3.41Å; R109-Y113 PolarHBondContact O-N 2.83Å
110W74.8Confident78.6Confident26 Ų2665.2 Ų65.210%0.09833%0.334CS..Hα-helixtrans-68-39.1174.5-7798.1000112.8I83 V95 H100 P101 S108 Y113 F114I83-W110 HydrophobicContact CD1-CH2 4.48Å; I83-W110 HydrophobicContact CG1-CH2 4.37Å; V95-W110 HydrophobicContact CG2-CZ2 4.13Å; H100-W110 VanDerWaalsContact C-CD1 3.5Å; P101-W110 HydrophobicContact CB-CD2 4.11Å; P101-W110 HydrophobicContact CB-CE3 4.09Å; P101-W110 HydrophobicContact CB-CG 4.44Å; P101-W110 HydrophobicContact CG-CD2 3.55Å; P101-W110 HydrophobicContact CG-CE3 3.76Å; P101-W110 HydrophobicContact CG-CG 4.1Å; P101-W110 HydrophobicContact CG-CH2 4.08Å; P101-W110 HydrophobicContact CG-CZ2 3.88Å; P101-W110 HydrophobicContact CG-CZ3 4.02Å; S108-W110 PolarHBondContact O-N 3.38Å; S108-W110 PolarHBondContact OG-N 3.01Å; W110-Y113 HydrophobicContact CE3-CD1 4.04Å; W110-Y113 HydrophobicContact CZ3-CD1 4.04Å; W110-Y113 HydrophobicContact CZ3-CE1 4.22Å; W110-Y113 WeakPolarHBondContact O-CB 3.33Å; W110-Y113 PolarHBondContact O-N 3.22Å; W110-F114 HydrophobicContact CB-CE2 4.23Å; W110-F114 HydrophobicContact CE3-CE2 4.04Å; W110-F114 AromaticContact CE3-CZ 3.92Å; W110-F114 HydrophobicContact CE3-CZ 3.92Å; W110-F114 HydrophobicContact CZ3-CZ 4.41Å; W110-F114 WeakPolarHBondContact O-CD2 3.39Å; W110-F114 WeakPolarHBondContact O-CG 3.26Å; W110-F114 PolarHBondContact O-N 2.72Å
111N76.4Confident79.6Confident38 Ų3863.3 Ų63.320%0.20333%0.326CS..Hα-helixtrans-63.6-45.2175.3-165.5-16.2000110.7N105 S108 Y113 F114 K115N105-N111 PolarHBondContact O-ND2 3.42Å; N105-N111 VanDerWaalsContact O-ND2 3.15Å; S108-N111 WeakPolarHBondContact O-CB 3.49Å; S108-N111 PolarHBondContact O-N 3.31Å; S108-N111 VanDerWaalsContact O-N 3.08Å; N111-Y113 VanDerWaalsContact C-N 3.35Å; N111-Y113 PolarHBondContact O-N 3.27Å; N111-F114 PolarHBondContact O-N 3.18Å; N111-K115 WeakPolarHBondContact O-CG 3.49Å; N111-K115 PolarHBondContact O-N 3.3Å; N111-K115 WeakPolarHBondContact OD1-CE 3.39Å
112T79.8Confident80.7Confident67 Ų6766.2 Ų66.241%0.41134%0.337SS..Hα-helixtrans-58.8-44.7171.3-52.20000111.7S108 F114 K115 D116S108-T112 PolarHBondContact O-N 3.14Å; S108-T112 VanDerWaalsContact O-N 3.14Å; S108-T112 PolarHBondContact O-OG1 3.47Å; T112-F114 PolarHBondContact O-N 3.27Å; T112-K115 PolarHBondContact O-N 3.32Å; T112-D116 WeakPolarHBondContact O-CB 2.97Å; T112-D116 VanDerWaalsContact O-CG 3.31Å; T112-D116 PolarHBondContact O-N 3.12Å
113Y81.4Confident81.8Confident22 Ų2259 Ų599%0.08630%0.299CS..Hα-helixtrans-59.5-42.9178.3177.6-95.6000112.9I83 R109 W110 N111 D116 N117I83-Y113 HydrophobicContact CD1-CD2 4.24Å; I83-Y113 HydrophobicContact CD1-CE1 4.28Å; I83-Y113 HydrophobicContact CD1-CE2 3.52Å; R109-Y113 VanDerWaalsContact O-CB 3.29Å; R109-Y113 WeakPolarHBondContact O-CB 3.41Å; R109-Y113 PolarHBondContact O-N 2.83Å; W110-Y113 HydrophobicContact CE3-CD1 4.04Å; W110-Y113 HydrophobicContact CZ3-CD1 4.04Å; W110-Y113 HydrophobicContact CZ3-CE1 4.22Å; W110-Y113 WeakPolarHBondContact O-CB 3.33Å; W110-Y113 PolarHBondContact O-N 3.22Å; N111-Y113 VanDerWaalsContact C-N 3.35Å; N111-Y113 PolarHBondContact O-N 3.27Å; Y113-D116 WeakPolarHBondContact O-CB 3.33Å; Y113-D116 PolarHBondContact O-N 3.09Å; Y113-N117 WeakPolarHBondContact CE1-ND2 3.43Å; Y113-N117 PolarHBondContact O-N 3.17Å; Y113-N117 PolarHBondContact O-OD1 3.38Å
114F81.9Confident82.9Confident86 Ų8657.7 Ų57.738%0.37729%0.292SS..Hα-helixtrans-69.2-40.2177.6-68.4-56.1000112.5P101 W110 N111 T112 D116 N117 E118P101-F114 HydrophobicContact CB-CE2 4.2Å; P101-F114 HydrophobicContact CB-CZ 4.13Å; P101-F114 WeakPolarHBondContact O-CE2 3.25Å; W110-F114 HydrophobicContact CB-CE2 4.23Å; W110-F114 HydrophobicContact CE3-CE2 4.04Å; W110-F114 AromaticContact CE3-CZ 3.92Å; W110-F114 HydrophobicContact CE3-CZ 3.92Å; W110-F114 HydrophobicContact CZ3-CZ 4.41Å; W110-F114 WeakPolarHBondContact O-CD2 3.39Å; W110-F114 WeakPolarHBondContact O-CG 3.26Å; W110-F114 PolarHBondContact O-N 2.72Å; N111-F114 PolarHBondContact O-N 3.18Å; T112-F114 PolarHBondContact O-N 3.27Å; F114-D116 VanDerWaalsContact C-N 3.34Å; F114-N117 WeakPolarHBondContact O-CB 3.45Å; F114-N117 PolarHBondContact O-N 3.05Å; F114-N117 VanDerWaalsContact O-N 3.15Å; F114-E118 PolarHBondContact O-N 3.27Å
115K83.9Confident83.9Confident103 Ų10357.9 Ų57.945%0.44828%0.281SS..Hα-helixtrans-61.6-42.7172.4-71174.5-179.5168.60111.8N111 T112 N117 E118 I119N111-K115 WeakPolarHBondContact O-CG 3.49Å; N111-K115 PolarHBondContact O-N 3.3Å; N111-K115 WeakPolarHBondContact OD1-CE 3.39Å; T112-K115 PolarHBondContact O-N 3.32Å; K115-N117 VanDerWaalsContact C-N 3.27Å; K115-N117 PolarHBondContact O-N 3.4Å; K115-E118 PolarHBondContact O-N 2.93Å; K115-I119 PolarHBondContact O-N 3.48Å; K115-I119 VanDerWaalsContact O-N 3.12Å
116D88Confident84.8Confident15 Ų1556.2 Ų56.28%0.0827%0.272CS..Hα-helixtrans-58.7-41.1173.7-78.52000110.7T112 Y113 F114 I119 L120 F216 K220T112-D116 WeakPolarHBondContact O-CB 2.97Å; T112-D116 VanDerWaalsContact O-CG 3.31Å; T112-D116 PolarHBondContact O-N 3.12Å; Y113-D116 WeakPolarHBondContact O-CB 3.33Å; Y113-D116 PolarHBondContact O-N 3.09Å; F114-D116 VanDerWaalsContact C-N 3.34Å; D116-I119 PolarHBondContact O-N 2.87Å; D116-L120 VanDerWaalsContact O-CB 3.31Å; D116-L120 WeakPolarHBondContact O-CB 3.36Å; D116-L120 PolarHBondContact O-N 3.47Å; D116-F216 HydrophobicContact CB-CE2 4.12Å; D116-F216 HydrophobicContact CB-CZ 4.02Å; D116-K220 WeakPolarHBondContact OD2-CE 3.41Å; D116-K220 IonicContact OD2-NZ 3.46Å; D116-K220 PolarHBondContact OD2-NZ 3.36Å
117N86.7Confident85.8Confident5 Ų552.1 Ų52.13%0.02725%0.245CC..Hα-helixtrans-66.4-35.9177.3-73.4-4.8000112.6Y113 F114 K115 I119 L120 L121 R161 T165Y113-N117 WeakPolarHBondContact CE1-ND2 3.43Å; Y113-N117 PolarHBondContact O-N 3.17Å; Y113-N117 PolarHBondContact O-OD1 3.38Å; F114-N117 WeakPolarHBondContact O-CB 3.45Å; F114-N117 PolarHBondContact O-N 3.05Å; F114-N117 VanDerWaalsContact O-N 3.15Å; K115-N117 VanDerWaalsContact C-N 3.27Å; K115-N117 PolarHBondContact O-N 3.4Å; N117-I119 VanDerWaalsContact C-N 3.34Å; N117-L120 PolarHBondContact O-N 3.12Å; N117-L121 WeakPolarHBondContact O-CB 3.28Å; N117-L121 VanDerWaalsContact O-CG 3.27Å; N117-L121 WeakPolarHBondContact O-CG 3.49Å; N117-L121 PolarHBondContact O-N 3.35Å; N117-R161 VanDerWaalsContact OD1-CZ 3.28Å; N117-R161 PolarHBondContact OD1-NE 3.17Å; N117-R161 PolarHBondContact OD1-NH2 2.94Å; N117-T165 HydrophobicContact CB-CG2 4.17Å; N117-T165 PolarHBondContact ND2-OG1 2.95Å
118E88.8Confident86.6Confident126 Ų12648.1 Ų48.159%0.58922%0.22SC*.Hα-helixtrans-64.1-39.7174.3-70.4178.8177.400112F114 K115 Q122F114-E118 PolarHBondContact O-N 3.27Å; K115-E118 PolarHBondContact O-N 2.93Å; E118-Q122 WeakPolarHBondContact O-CG 3.13Å; E118-Q122 PolarHBondContact O-N 3.29Å; E118-Q122 PolarHBondContact O-NE2 3.23Å
119I90.9Very high87.2Confident38 Ų3855.4 Ų55.420%0.19525%0.247CC..Hα-helixtrans-66.5-48173.8-67.9168.9000110K115 D116 N117 L121 Q122 I123 A219 A226K115-I119 PolarHBondContact O-N 3.48Å; K115-I119 VanDerWaalsContact O-N 3.12Å; D116-I119 PolarHBondContact O-N 2.87Å; N117-I119 VanDerWaalsContact C-N 3.34Å; I119-L121 VanDerWaalsContact C-N 3.31Å; I119-L121 PolarHBondContact O-N 3.28Å; I119-Q122 WeakPolarHBondContact O-CB 3.36Å; I119-Q122 PolarHBondContact O-N 3.07Å; I119-I123 HydrophobicContact CG2-CD1 3.79Å; I119-I123 HydrophobicContact CG2-CG1 4.41Å; I119-I123 WeakPolarHBondContact O-CG1 3.16Å; I119-I123 PolarHBondContact O-N 3.11Å; I119-A219 HydrophobicContact CG2-CB 3.96Å; I119-A226 HydrophobicContact CD1-CB 4.29Å
120L91.8Very high88.1Confident2 Ų248.8 Ų48.81%0.0122%0.222CC..Hα-helixtrans-58-42.5179.3-178.361.2000111.8D116 N117 Q122 I123 D124 L158 R161 V162 E212 F216D116-L120 VanDerWaalsContact O-CB 3.31Å; D116-L120 WeakPolarHBondContact O-CB 3.36Å; D116-L120 PolarHBondContact O-N 3.47Å; N117-L120 PolarHBondContact O-N 3.12Å; L120-Q122 VanDerWaalsContact C-N 3.27Å; L120-Q122 PolarHBondContact O-N 3.36Å; L120-I123 PolarHBondContact O-N 2.84Å; L120-D124 WeakPolarHBondContact O-CB 3.03Å; L120-D124 PolarHBondContact O-N 2.8Å; L120-L158 HydrophobicContact CD1-CB 4.21Å; L120-L158 HydrophobicContact CD1-CD1 4.12Å; L120-L158 HydrophobicContact CD1-CD2 4.16Å; L120-L158 HydrophobicContact CD1-CG 4.39Å; L120-L158 HydrophobicContact CD2-CB 4.34Å; L120-L158 HydrophobicContact CD2-CD2 3.97Å; L120-R161 HydrophobicContact CD2-CB 3.92Å; L120-V162 HydrophobicContact CD1-CG2 4.45Å; L120-V162 HydrophobicContact CD2-CG2 3.82Å; L120-V162 HydrophobicContact CG-CG2 3.72Å; L120-E212 HydrophobicContact CD1-CG 3.88Å; L120-F216 HydrophobicContact CB-CD2 3.99Å; L120-F216 HydrophobicContact CB-CE2 3.92Å; L120-F216 HydrophobicContact CD1-CD2 3.88Å; L120-F216 HydrophobicContact CD1-CE2 4.41Å; L120-F216 HydrophobicContact CD1-CG 4.29Å; L120-F216 HydrophobicContact CG-CD2 4.46Å
121L90.5Very high88.7Confident33 Ų3349 Ų4917%0.17322%0.223CC..Hα-helixtrans-64.4-29.2176.7-77.1178.4000113.7N117 I119 K125 V162 T165 T166N117-L121 WeakPolarHBondContact O-CB 3.28Å; N117-L121 VanDerWaalsContact O-CG 3.27Å; N117-L121 WeakPolarHBondContact O-CG 3.49Å; N117-L121 PolarHBondContact O-N 3.35Å; I119-L121 VanDerWaalsContact C-N 3.31Å; I119-L121 PolarHBondContact O-N 3.28Å; L121-K125 WeakPolarHBondContact O-CD 3.35Å; L121-K125 VanDerWaalsContact O-CG 3.23Å; L121-K125 WeakPolarHBondContact O-CG 3.42Å; L121-K125 PolarHBondContact O-N 2.94Å; L121-V162 HydrophobicContact CD2-CG1 3.95Å; L121-T165 HydrophobicContact CD1-CG2 3.52Å; L121-T165 HydrophobicContact CG-CG2 4.24Å; L121-T166 HydrophobicContact CD2-CG2 3.91Å
122Q93.3Very high89.2Confident96 Ų9651.1 Ų51.145%0.44924%0.239SC..Hα-helixtrans-72.8-47.3173.4-71.8173.472.800110.3E118 I119 L120 K125 D126 Y227E118-Q122 WeakPolarHBondContact O-CG 3.13Å; E118-Q122 PolarHBondContact O-N 3.29Å; E118-Q122 PolarHBondContact O-NE2 3.23Å; I119-Q122 WeakPolarHBondContact O-CB 3.36Å; I119-Q122 PolarHBondContact O-N 3.07Å; L120-Q122 VanDerWaalsContact C-N 3.27Å; L120-Q122 PolarHBondContact O-N 3.36Å; Q122-K125 PolarHBondContact O-N 3.18Å; Q122-D126 PolarHBondContact O-N 3.43Å; Q122-Y227 HydrophobicContact CB-CD1 4.04Å; Q122-Y227 HydrophobicContact CB-CE1 4.07Å
123I96Very high89.4Confident0 Ų055.6 Ų55.60%026%0.26CS..Hα-helixtrans-57.4-52.4176.9-63.4169.2000110.3I119 L120 K125 D126 V127 E212 L215 F216 Y227I119-I123 HydrophobicContact CG2-CD1 3.79Å; I119-I123 HydrophobicContact CG2-CG1 4.41Å; I119-I123 WeakPolarHBondContact O-CG1 3.16Å; I119-I123 PolarHBondContact O-N 3.11Å; L120-I123 PolarHBondContact O-N 2.84Å; I123-K125 VanDerWaalsContact C-N 3.29Å; I123-K125 PolarHBondContact O-N 2.95Å; I123-D126 PolarHBondContact O-N 3.36Å; I123-V127 HydrophobicContact CG2-CG1 3.92Å; I123-V127 WeakPolarHBondContact O-CG2 3.4Å; I123-V127 PolarHBondContact O-N 2.89Å; I123-E212 HydrophobicContact CG2-CB 4.28Å; I123-E212 HydrophobicContact CG2-CG 3.86Å; I123-L215 HydrophobicContact CD1-CB 4.04Å; I123-L215 HydrophobicContact CG1-CB 4.35Å; I123-L215 HydrophobicContact CG2-CB 3.85Å; I123-L215 HydrophobicContact CG2-CD1 3.9Å; I123-F216 HydrophobicContact CD1-CB 4.11Å; I123-F216 HydrophobicContact CD1-CD2 4.37Å; I123-Y227 HydrophobicContact CD1-CD2 4.15Å; I123-Y227 HydrophobicContact CD1-CG 4.06Å; I123-Y227 HydrophobicContact CG1-CD1 3.69Å; I123-Y227 HydrophobicContact CG1-CD2 3.57Å; I123-Y227 HydrophobicContact CG1-CE1 3.99Å; I123-Y227 HydrophobicContact CG1-CE2 3.87Å; I123-Y227 HydrophobicContact CG1-CG 3.47Å; I123-Y227 VanDerWaalsContact CG1-CG 3.47Å
124D93.5Very high89.7Confident14 Ų1457 Ų578%0.07527%0.268CS..Hα-helixtrans-51.7-46.4-179.5177.580.9000111.8L120 D126 R128 V162 E212L120-D124 WeakPolarHBondContact O-CB 3.03Å; L120-D124 PolarHBondContact O-N 2.8Å; D124-D126 VanDerWaalsContact C-N 3.34Å; D124-D126 PolarHBondContact O-N 2.74Å; D124-R128 VanDerWaalsContact O-CB 3.32Å; D124-R128 WeakPolarHBondContact O-CB 3.19Å; D124-R128 WeakPolarHBondContact O-CD 3.47Å; D124-R128 WeakPolarHBondContact O-CG 3.31Å; D124-R128 PolarHBondContact O-N 2.86Å; D124-R128 VanDerWaalsContact O-N 3.14Å; D124-R128 IonicContact OD1-CZ 3.37Å; D124-R128 IonicContact OD1-NE 3.62Å; D124-R128 PolarHBondContact OD1-NE 2.95Å; D124-R128 IonicContact OD1-NH2 3.79Å; D124-R128 PolarHBondContact OD1-NH2 3.27Å; D124-R128 IonicContact OD2-CZ 2.8Å; D124-R128 IonicContact OD2-NE 3.82Å; D124-R128 PolarHBondContact OD2-NE 3.42Å; D124-R128 IonicContact OD2-NH2 2.72Å; D124-V162 HydrophobicContact CB-CG1 4.42Å; D124-V162 HydrophobicContact CB-CG2 4.08Å; D124-E212 WeakPolarHBondContact CB-OE1 3.36Å
125K91.1Very high90.1Very high118 Ų11856 Ų5651%0.51328%0.276SS..Hα-helixtrans-62-40.7178.9-74.4170-172.4171.50112.7L121 Q122 I123 R129L121-K125 WeakPolarHBondContact O-CD 3.35Å; L121-K125 VanDerWaalsContact O-CG 3.23Å; L121-K125 WeakPolarHBondContact O-CG 3.42Å; L121-K125 PolarHBondContact O-N 2.94Å; Q122-K125 PolarHBondContact O-N 3.18Å; I123-K125 VanDerWaalsContact C-N 3.29Å; I123-K125 PolarHBondContact O-N 2.95Å; K125-R129 WeakPolarHBondContact O-CG 3.35Å
126D94.8Very high90.6Very high22 Ų2252.5 Ų52.512%0.11826%0.26CS..Hα-helixtrans-78.1-45.3-175.5-71-16.1000111.4Q122 I123 D124 R128 R129 L130 Y227 Q229 N232Q122-D126 PolarHBondContact O-N 3.43Å; I123-D126 PolarHBondContact O-N 3.36Å; D124-D126 VanDerWaalsContact C-N 3.34Å; D124-D126 PolarHBondContact O-N 2.74Å; D126-R128 VanDerWaalsContact C-N 3.29Å; D126-R128 PolarHBondContact O-N 3.37Å; D126-R129 CarbonylContact O-C 3.28Å; D126-R129 PolarHBondContact O-N 2.78Å; D126-L130 PolarHBondContact O-N 3.17Å; D126-Y227 VanDerWaalsContact CB-OH 3.22Å; D126-Y227 WeakPolarHBondContact CB-OH 3.48Å; D126-Y227 VanDerWaalsContact CG-OH 3.32Å; D126-Y227 WeakPolarHBondContact OD2-CE1 3.42Å; D126-Y227 PolarHBondContact OD2-OH 2.86Å; D126-Q229 WeakPolarHBondContact OD2-CG 3.46Å; D126-N232 HydrophobicContact CB-CB 4.24Å; D126-N232 PolarHBondContact O-ND2 3.25Å
127V94.8Very high90.9Very high0 Ų051.8 Ų51.80%026%0.257CS..Hα-helixtrans-67.4-29.6179.8-58.80000112.6I123 R129 L130 W208 V211 E212 L215 N232I123-V127 HydrophobicContact CG2-CG1 3.92Å; I123-V127 WeakPolarHBondContact O-CG2 3.4Å; I123-V127 PolarHBondContact O-N 2.89Å; V127-R129 PolarHBondContact O-N 3.49Å; V127-L130 VanDerWaalsContact O-CB 3.3Å; V127-L130 WeakPolarHBondContact O-CB 3.46Å; V127-L130 PolarHBondContact O-N 2.67Å; V127-W208 HydrophobicContact CG2-CE3 3.8Å; V127-V211 HydrophobicContact CG1-CB 4.39Å; V127-V211 HydrophobicContact CG1-CG1 3.79Å; V127-E212 HydrophobicContact CG2-CB 4.05Å; V127-L215 HydrophobicContact CG1-CD1 3.65Å; V127-N232 HydrophobicContact CG1-CB 4.15Å
128R89.6Confident91.2Very high57 Ų5753.7 Ų53.722%0.21527%0.266CS..THydrogen-bonded Turntrans-66.2-19.1172.7-77.1177.2-169.7-71.8-7.3113.3D124 D126 Y197 W208D124-R128 VanDerWaalsContact O-CB 3.32Å; D124-R128 WeakPolarHBondContact O-CB 3.19Å; D124-R128 WeakPolarHBondContact O-CD 3.47Å; D124-R128 WeakPolarHBondContact O-CG 3.31Å; D124-R128 PolarHBondContact O-N 2.86Å; D124-R128 VanDerWaalsContact O-N 3.14Å; D124-R128 IonicContact OD1-CZ 3.37Å; D124-R128 IonicContact OD1-NE 3.62Å; D124-R128 PolarHBondContact OD1-NE 2.95Å; D124-R128 IonicContact OD1-NH2 3.79Å; D124-R128 PolarHBondContact OD1-NH2 3.27Å; D124-R128 IonicContact OD2-CZ 2.8Å; D124-R128 IonicContact OD2-NE 3.82Å; D124-R128 PolarHBondContact OD2-NE 3.42Å; D124-R128 IonicContact OD2-NH2 2.72Å; D126-R128 VanDerWaalsContact C-N 3.29Å; D126-R128 PolarHBondContact O-N 3.37Å; R128-Y197 HydrophobicContact CB-CE2 4.04Å; R128-Y197 HydrophobicContact CG-CE2 4.47Å; R128-Y197 VanDerWaalsContact O-CZ 3.26Å; R128-Y197 PolarHBondContact O-OH 3.43Å; R128-W208 HydrophobicContact CG-CD2 4.45Å; R128-W208 HydrophobicContact CG-CE3 4.21Å; R128-W208 HydrophobicContact CG-CZ3 4.33Å; R128-W208 VanDerWaalsContact CZ-CH2 3.41Å
129R89.8Confident91.3Very high157 Ų15755.5 Ų55.559%0.59227%0.267SS*.THydrogen-bonded Turntrans-107.83.3179.7-63.9174.9-178.4177.20.2112.4K125 D126 V127 Y131 P132K125-R129 WeakPolarHBondContact O-CG 3.35Å; D126-R129 CarbonylContact O-C 3.28Å; D126-R129 PolarHBondContact O-N 2.78Å; V127-R129 PolarHBondContact O-N 3.49Å; R129-Y131 PolarHBondContact O-N 2.68Å; R129-P132 WeakPolarHBondContact O-CD 3.43Å
130L91.3Very high91.5Very high0 Ų056.7 Ų56.70%028%0.277CS..SBendtrans-68.2118.6178.7-178.763000110D126 V127 F137 V211 N232 E233D126-L130 PolarHBondContact O-N 3.17Å; V127-L130 VanDerWaalsContact O-CB 3.3Å; V127-L130 WeakPolarHBondContact O-CB 3.46Å; V127-L130 PolarHBondContact O-N 2.67Å; L130-F137 HydrophobicContact CD2-CD1 3.91Å; L130-F137 HydrophobicContact CD2-CE1 3.67Å; L130-F137 HydrophobicContact CD2-CG 4.43Å; L130-F137 HydrophobicContact CD2-CZ 4.01Å; L130-F137 HydrophobicContact CG-CD1 4.49Å; L130-F137 HydrophobicContact CG-CD2 4.48Å; L130-F137 HydrophobicContact CG-CE1 4.37Å; L130-F137 HydrophobicContact CG-CE2 4.38Å; L130-F137 HydrophobicContact CG-CZ 4.31Å; L130-V211 HydrophobicContact CD2-CG1 4.19Å; L130-V211 HydrophobicContact CD2-CG2 4.5Å; L130-N232 WeakPolarHBondContact CD1-O 3.05Å; L130-E233 WeakPolarHBondContact CD1-OE2 3.47Å
131Y89Confident91.6Very high29 Ų2957.4 Ų57.411%0.11428%0.282CS..SBendtrans43.566.4-178.4-64.3-71.9000113.5R129 D133 M134 F137 P237 L331R129-Y131 PolarHBondContact O-N 2.68Å; Y131-D133 PolarHBondContact O-N 2.96Å; Y131-M134 WeakPolarHBondContact O-CB 3.38Å; Y131-M134 PolarHBondContact O-N 3.3Å; Y131-F137 HydrophobicContact CD2-CD2 4.27Å; Y131-F137 AromaticContact CD2-CE2 3.49Å; Y131-F137 HydrophobicContact CD2-CE2 3.49Å; Y131-F137 VanDerWaalsContact CD2-CE2 3.49Å; Y131-F137 HydrophobicContact CD2-CZ 4.02Å; Y131-F137 HydrophobicContact CE2-CE2 4.46Å; Y131-F137 HydrophobicContact CG-CE2 4.05Å; Y131-P237 HydrophobicContact CE2-CG 4.16Å; Y131-P237 WeakPolarHBondContact OH-CG 3.15Å; Y131-L331 HydrophobicContact CD1-CB 4.27Å; Y131-L331 HydrophobicContact CE1-CB 3.94Å; Y131-L331 HydrophobicContact CE1-CD1 4.44Å; Y131-L331 HydrophobicContact CE2-CD1 4.05Å
132P85.6Confident91.7Very high83 Ų8361.4 Ų61.454%0.53930%0.303SS..THydrogen-bonded Turntrans-65.9-26.3-171.729.1-34.2000113R129 M134R129-P132 WeakPolarHBondContact O-CD 3.43Å; P132-M134 PolarHBondContact O-N 3.36Å
133D84.4Confident91.8Very high162 Ų16259.9 Ų59.987%0.86629%0.294SS*.THydrogen-bonded Turntrans-76.9-6.3176-57.4-45.9000112.8Y131Y131-D133 PolarHBondContact O-N 2.96Å
134M87.9Confident91.6Very high50 Ų5061.1 Ų61.125%0.24630%0.302CS..  trans-110.6107.7-179.1-168.3-175.2-154.200111.3Y131 P132 F136 F137 Q138 Y240 L331Y131-M134 WeakPolarHBondContact O-CB 3.38Å; Y131-M134 PolarHBondContact O-N 3.3Å; P132-M134 PolarHBondContact O-N 3.36Å; M134-F136 HydrophobicContact CE-CB 4.05Å; M134-F136 HydrophobicContact CG-CB 3.84Å; M134-F136 PolarHBondContact O-N 2.67Å; M134-F136 HydrophobicContact SD-CB 3.86Å; M134-F137 HydrophobicContact SD-CE2 4.18Å; M134-Q138 PolarHBondContact O-OE1 3.04Å; M134-Y240 HydrophobicContact CE-CD2 3.86Å; M134-Y240 HydrophobicContact CE-CE1 4.48Å; M134-Y240 HydrophobicContact CE-CE2 3.16Å; M134-Y240 HydrophobicContact SD-CD2 4.29Å; M134-Y240 HydrophobicContact SD-CE2 4.16Å; M134-L331 HydrophobicContact CE-CD2 3.8Å; M134-L331 HydrophobicContact SD-CD2 3.42Å; M134-L331 WeakPolarHBondContact SD-CD2 3.38Å
135A90.8Very high91.3Very high65 Ų6561.1 Ų61.154%0.53730%0.303SS..THydrogen-bonded Turntrans-58.2-15.7179.400000114.9F137 Q138 R139A135-F137 VanDerWaalsContact C-N 3.34Å; A135-F137 PolarHBondContact O-N 2.88Å; A135-Q138 VanDerWaalsContact CA-OE1 3.27Å; A135-Q138 PolarHBondContact O-N 3.12Å; A135-Q138 PolarHBondContact O-OE1 3.46Å; A135-R139 WeakPolarHBondContact O-CG 3.29Å; A135-R139 PolarHBondContact O-N 2.66Å; A135-R139 VanDerWaalsContact O-N 3.17Å
136F94.6Very high91Very high30 Ų3060.9 Ų60.913%0.13230%0.304CS..THydrogen-bonded Turntrans-53-49.6-178.6174.8-95.6000112M134 Q138 R139 H207 Y239 Y240 A243 T244M134-F136 HydrophobicContact CE-CB 4.05Å; M134-F136 HydrophobicContact CG-CB 3.84Å; M134-F136 PolarHBondContact O-N 2.67Å; M134-F136 HydrophobicContact SD-CB 3.86Å; F136-Q138 VanDerWaalsContact C-N 3.3Å; F136-Q138 PolarHBondContact O-N 3.45Å; F136-R139 PolarHBondContact O-N 2.67Å; F136-H207 HydrophobicContact CD1-CB 4.4Å; F136-H207 HydrophobicContact CE1-CB 4.03Å; F136-H207 AromaticContact CE1-CG 3.84Å; F136-H207 AromaticContact CE1-ND1 3.98Å; F136-H207 AromaticContact CE2-CD2 3.95Å; F136-H207 AromaticContact CE2-CE1 3.85Å; F136-H207 AromaticContact CE2-NE2 3.7Å; F136-H207 HydrophobicContact CZ-CB 4.42Å; F136-H207 AromaticContact CZ-CD2 3.94Å; F136-H207 AromaticContact CZ-CE1 3.61Å; F136-H207 AromaticContact CZ-CG 3.73Å; F136-H207 AromaticContact CZ-ND1 3.54Å; F136-H207 AromaticContact CZ-NE2 3.86Å; F136-H207 PolarHBondContact O-CD2 3.17Å; F136-Y239 HydrophobicContact CE1-CD1 4.16Å; F136-Y239 HydrophobicContact CE1-CE1 4.04Å; F136-Y239 HydrophobicContact CZ-CE1 4.24Å; F136-Y240 HydrophobicContact CB-CD2 4.48Å; F136-Y240 HydrophobicContact CB-CE2 4.43Å; F136-Y240 AromaticContact CD1-CD2 3.65Å; F136-Y240 HydrophobicContact CD1-CD2 3.65Å; F136-Y240 HydrophobicContact CD1-CE2 4.35Å; F136-Y240 AromaticContact CD2-CD2 4Å; F136-Y240 HydrophobicContact CD2-CD2 4Å; F136-Y240 HydrophobicContact CD2-CE2 4.02Å; F136-Y240 AromaticContact CE1-CD2 3.79Å; F136-Y240 HydrophobicContact CE1-CD2 3.79Å; F136-Y240 HydrophobicContact CE2-CD2 4.14Å; F136-Y240 HydrophobicContact CE2-CE2 4.4Å; F136-Y240 AromaticContact CG-CD2 3.76Å; F136-Y240 HydrophobicContact CG-CD2 3.76Å; F136-Y240 AromaticContact CG-CE2 3.99Å; F136-Y240 HydrophobicContact CG-CE2 3.99Å; F136-Y240 HydrophobicContact CZ-CD2 4.04Å; F136-A243 HydrophobicContact CZ-CB 3.81Å; F136-T244 HydrophobicContact CD2-CG2 4.21Å; F136-T244 HydrophobicContact CE2-CG2 3.69Å; F136-T244 HydrophobicContact CZ-CG2 4.3Å
137F94.4Very high90.3Very high0 Ų062.7 Ų62.70%031%0.313CS..THydrogen-bonded Turntrans-69.6-28.3-172.9-70.7-77.6000113L130 Y131 M134 A135 H207 W208 V211 Y239L130-F137 HydrophobicContact CD2-CD1 3.91Å; L130-F137 HydrophobicContact CD2-CE1 3.67Å; L130-F137 HydrophobicContact CD2-CG 4.43Å; L130-F137 HydrophobicContact CD2-CZ 4.01Å; L130-F137 HydrophobicContact CG-CD1 4.49Å; L130-F137 HydrophobicContact CG-CD2 4.48Å; L130-F137 HydrophobicContact CG-CE1 4.37Å; L130-F137 HydrophobicContact CG-CE2 4.38Å; L130-F137 HydrophobicContact CG-CZ 4.31Å; Y131-F137 HydrophobicContact CD2-CD2 4.27Å; Y131-F137 AromaticContact CD2-CE2 3.49Å; Y131-F137 HydrophobicContact CD2-CE2 3.49Å; Y131-F137 VanDerWaalsContact CD2-CE2 3.49Å; Y131-F137 HydrophobicContact CD2-CZ 4.02Å; Y131-F137 HydrophobicContact CE2-CE2 4.46Å; Y131-F137 HydrophobicContact CG-CE2 4.05Å; M134-F137 HydrophobicContact SD-CE2 4.18Å; A135-F137 VanDerWaalsContact C-N 3.34Å; A135-F137 PolarHBondContact O-N 2.88Å; F137-H207 HydrophobicContact CD1-CB 4.46Å; F137-H207 PolarHBondContact O-N 3.42Å; F137-W208 HydrophobicContact CB-CB 4.44Å; F137-W208 PolarHBondContact O-N 3.35Å; F137-V211 HydrophobicContact CD1-CG2 4.4Å; F137-V211 HydrophobicContact CE1-CG2 4.19Å; F137-Y239 HydrophobicContact CE1-CD1 4.23Å
138Q91.3Very high89.4Confident46 Ų4663.3 Ų63.322%0.21532%0.316CS..THydrogen-bonded Turntrans-86.1-15.1179.4-56.67621.100113.1M134 A135 F136 Y197M134-Q138 PolarHBondContact O-OE1 3.04Å; A135-Q138 VanDerWaalsContact CA-OE1 3.27Å; A135-Q138 PolarHBondContact O-N 3.12Å; A135-Q138 PolarHBondContact O-OE1 3.46Å; F136-Q138 VanDerWaalsContact C-N 3.3Å; F136-Q138 PolarHBondContact O-N 3.45Å; Q138-Y197 HydrophobicContact CG-CD1 4.03Å; Q138-Y197 HydrophobicContact CG-CE1 3.77Å
139R92.3Very high88.8Confident163 Ų16361.8 Ų61.862%0.61531%0.312SS*.SBendtrans-75.7152.7179.1-79.617467.1176.60.8112.1A135 F136 A206 H207A135-R139 WeakPolarHBondContact O-CG 3.29Å; A135-R139 PolarHBondContact O-N 2.66Å; A135-R139 VanDerWaalsContact O-N 3.17Å; F136-R139 PolarHBondContact O-N 2.67Å; R139-A206 WeakPolarHBondContact O-CA 3.39Å; R139-H207 PolarHBondContact O-CD2 3.27Å; R139-H207 PolarHBondContact O-N 3.49Å; R139-H207 VanDerWaalsContact O-N 3.1Å
140P93.9Very high87.8Confident63 Ų6356.7 Ų56.741%0.40930%0.297SS..BIsolated β-bridgetrans-62.9139171.426.7-33.7000110.7L200 E205P140-L200 HydrophobicContact CB-CD1 3.95Å; P140-E205 WeakPolarHBondContact CA-O 3.47Å
141T94.3Very high86.4Confident17 Ų1762.1 Ų62.110%0.10433%0.332CS..PPolyproline II helixtrans-73.2145.4168.41780000110.7Y143 P144 E205 V210T141-Y143 PolarHBondContact O-N 3Å; T141-Y143 PolarHBondContact OG1-N 2.99Å; T141-Y143 VanDerWaalsContact OG1-N 3.15Å; T141-P144 HydrophobicContact CG2-CB 4.28Å; T141-E205 HydrophobicContact CG2-CG 3.72Å; T141-E205 WeakPolarHBondContact CG2-O 3.23Å; T141-E205 PolarHBondContact N-O 3.14Å; T141-V210 HydrophobicContact CG2-CG2 4.23Å
142D93.7Very high85Confident118 Ų11869 Ų6963%0.63137%0.365SS*.SBendtrans-67.4-19.9171.1-65.5-27.9000112.1P144 K251D142-P144 VanDerWaalsContact C-CD 3.42Å; D142-P144 WeakPolarHBondContact O-CD 3.23Å; D142-K251 IonicContact OD2-NZ 3.29Å; D142-K251 PolarHBondContact OD2-NZ 3.04Å
143Y94.3Very high84Confident63 Ų6367.6 Ų67.625%0.24735%0.353CS..SBendtrans-12571.3-175.9-56.6-85.5000111T141 S248 K251 E252T141-Y143 PolarHBondContact O-N 3Å; T141-Y143 PolarHBondContact OG1-N 2.99Å; T141-Y143 VanDerWaalsContact OG1-N 3.15Å; Y143-S248 WeakPolarHBondContact OH-CA 3.5Å; Y143-S248 VanDerWaalsContact OH-CB 3.31Å; Y143-S248 WeakPolarHBondContact OH-CB 3.23Å; Y143-S248 PolarHBondContact OH-OG 3.35Å; Y143-K251 HydrophobicContact CD2-CB 3.96Å; Y143-K251 HydrophobicContact CE2-CB 3.49Å; Y143-K251 VanDerWaalsContact CE2-CB 3.49Å; Y143-K251 HydrophobicContact CE2-CD 4.46Å; Y143-E252 HydrophobicContact CD1-CB 3.59Å; Y143-E252 HydrophobicContact CD1-CG 3.72Å; Y143-E252 HydrophobicContact CE1-CB 3.72Å; Y143-E252 HydrophobicContact CE1-CG 4.17Å; Y143-E252 HydrophobicContact CG-CB 4.08Å; Y143-E252 HydrophobicContact CG-CG 4.39Å
144P91.3Very high82.7Confident26 Ų2664.3 Ų64.317%0.16933%0.332CS..  trans-66.1141.2175.918.3-21.2000110.9T141 D142 Q146 L149 E205T141-P144 HydrophobicContact CG2-CB 4.28Å; D142-P144 VanDerWaalsContact C-CD 3.42Å; D142-P144 WeakPolarHBondContact O-CD 3.23Å; P144-Q146 PolarHBondContact O-N 3.26Å; P144-Q146 PolarHBondContact O-NE2 3.27Å; P144-L149 HydrophobicContact CB-CD1 3.66Å; P144-E205 HydrophobicContact CB-CG 4.06Å
145C88.9Confident81.7Confident15 Ų1565.8 Ų65.810%0.10134%0.336CS..  trans-66.494.1180-173.10000111.5L147 I148 L149 E205C145-L147 PolarHBondContact O-N 2.9Å; C145-I148 HydrophobicContact CB-CD1 4.49Å; C145-I148 PolarHBondContact O-N 2.79Å; C145-L149 PolarHBondContact O-N 2.93Å; C145-E205 WeakPolarHBondContact CB-OE1 3.27Å; C145-E205 PolarHBondContact N-OE1 3.42Å
146Q84.1Confident80.6Confident113 Ų11363.7 Ų63.753%0.52832%0.315SS..Hα-helixtrans-60.9-30.8-176.7-60.8-55-49.300112.8P144 I148 L149 D150P144-Q146 PolarHBondContact O-N 3.26Å; P144-Q146 PolarHBondContact O-NE2 3.27Å; Q146-I148 PolarHBondContact O-N 3.3Å; Q146-I148 VanDerWaalsContact O-N 3.15Å; Q146-L149 PolarHBondContact O-N 3.3Å; Q146-D150 VanDerWaalsContact O-CB 3.29Å; Q146-D150 WeakPolarHBondContact O-CB 3.28Å; Q146-D150 PolarHBondContact O-N 3Å
147L79.1Confident79.8Confident60 Ų6064 Ų6431%0.31432%0.319SS..Hα-helixtrans-57.9-30.7176.7-68.1174.6000112.8L74 I79 C145 N153L74-L147 HydrophobicContact CD1-CD1 4.3Å; I79-L147 HydrophobicContact CD1-CB 4.35Å; C145-L147 PolarHBondContact O-N 2.9Å; L147-N153 PolarHBondContact O-ND2 3.12Å
148I77.8Confident79.2Confident13 Ų1364.4 Ų64.47%0.06732%0.322CS..Hα-helixtrans-101.4-35.3-176.2-65.6169.6000111.4L74 I78 I79 C145 Q146 T157L74-I148 HydrophobicContact CD2-CD1 3.9Å; I78-I148 HydrophobicContact CB-CD1 4.4Å; I78-I148 HydrophobicContact CG2-CD1 3.89Å; I78-I148 HydrophobicContact CG2-CG1 4.34Å; I79-I148 HydrophobicContact CD1-CG1 4.23Å; I79-I148 HydrophobicContact CG1-CG1 4.3Å; C145-I148 HydrophobicContact CB-CD1 4.49Å; C145-I148 PolarHBondContact O-N 2.79Å; Q146-I148 PolarHBondContact O-N 3.3Å; Q146-I148 VanDerWaalsContact O-N 3.15Å; I148-T157 HydrophobicContact CG2-CG2 4Å
149L75.8Confident78.7Confident25 Ų2564 Ų6413%0.13132%0.318CS..Hα-helixtrans-98-1.1-171-63.3170.7000114.5P144 C145 Q146 P151 T157 E205P144-L149 HydrophobicContact CB-CD1 3.66Å; C145-L149 PolarHBondContact O-N 2.93Å; Q146-L149 PolarHBondContact O-N 3.3Å; L149-P151 VanDerWaalsContact O-CD 3.28Å; L149-P151 WeakPolarHBondContact O-CD 3.42Å; L149-T157 HydrophobicContact CD2-CG2 4.41Å; L149-E205 HydrophobicContact CD1-CB 3.77Å; L149-E205 HydrophobicContact CD1-CG 3.7Å
150D69Low77.9Confident49 Ų4961.2 Ų61.226%0.26231%0.308SS..  trans-56.3118.4175.8-175.3-12.5000110.2Q146 Q152 N153Q146-D150 VanDerWaalsContact O-CB 3.29Å; Q146-D150 WeakPolarHBondContact O-CB 3.28Å; Q146-D150 PolarHBondContact O-N 3Å; D150-Q152 PolarHBondContact O-N 3.17Å; D150-Q152 VanDerWaalsContact O-N 3.12Å; D150-Q152 VanDerWaalsContact OD1-CB 3.31Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.43Å; D150-Q152 WeakPolarHBondContact OD1-CG 3.49Å; D150-Q152 PolarHBondContact OD1-N 2.98Å; D150-N153 HydrophobicContact CB-CB 4.07Å; D150-N153 WeakPolarHBondContact CB-ND2 3.28Å; D150-N153 WeakPolarHBondContact O-CB 3.38Å; D150-N153 PolarHBondContact O-N 3.49Å
151P61.4Low77.3Confident115 Ų11558.5 Ų58.575%0.74729%0.289SS*.THydrogen-bonded Turntrans-61.4-19.5178.8-21.332.6000114L149 N153L149-P151 VanDerWaalsContact O-CD 3.28Å; L149-P151 WeakPolarHBondContact O-CD 3.42Å; P151-N153 VanDerWaalsContact C-N 3.32Å
152Q61.2Low76.7Confident173 Ų17358.1 Ų58.181%0.80829%0.287SS*.THydrogen-bonded Turntrans-81.2-15.9175.7-55.5-174.614.400112.2D150D150-Q152 PolarHBondContact O-N 3.17Å; D150-Q152 VanDerWaalsContact O-N 3.12Å; D150-Q152 VanDerWaalsContact OD1-CB 3.31Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.43Å; D150-Q152 WeakPolarHBondContact OD1-CG 3.49Å; D150-Q152 PolarHBondContact OD1-N 2.98Å
153N62.6Low75.9Confident54 Ų5457.3 Ų57.329%0.28928%0.279SS..  trans-90.1125.7177.7-71.8-20.8000110.6L147 D150 P151 Y155L147-N153 PolarHBondContact O-ND2 3.12Å; D150-N153 HydrophobicContact CB-CB 4.07Å; D150-N153 WeakPolarHBondContact CB-ND2 3.28Å; D150-N153 WeakPolarHBondContact O-CB 3.38Å; D150-N153 PolarHBondContact O-N 3.49Å; P151-N153 VanDerWaalsContact C-N 3.32Å; N153-Y155 HydrophobicContact CB-CD2 3.53Å; N153-Y155 HydrophobicContact CB-CE2 3.6Å; N153-Y155 HydrophobicContact CB-CG 4.28Å; N153-Y155 PolarHBondContact O-N 3.35Å; N153-Y155 VanDerWaalsContact O-N 3.14Å
154E57.8Low74.8Confident92 Ų9259.3 Ų59.343%0.4329%0.291SS..  trans-83.825180-61.4-172.8159.700113.7A84 L88A84-E154 HydrophobicContact CB-CB 4.42Å; A84-E154 VanDerWaalsContact CB-O 3.23Å; A84-E154 WeakPolarHBondContact CB-O 3.38Å; L88-E154 WeakPolarHBondContact CD1-OE2 3.42Å; L88-E154 WeakPolarHBondContact CD2-OE1 3.29Å; L88-E154 WeakPolarHBondContact CG-OE2 3.45Å
155Y67.1Low73.9Confident82 Ų8260.5 Ų60.532%0.32230%0.297SS..  trans-75.6147.9-176.3-53.7-44000112I79 N153 T157I79-Y155 HydrophobicContact CB-CD2 4.38Å; I79-Y155 HydrophobicContact CB-CG 4.39Å; I79-Y155 HydrophobicContact CD1-CD2 4.34Å; I79-Y155 HydrophobicContact CD1-CE2 4.4Å; I79-Y155 HydrophobicContact CG1-CD2 3.95Å; I79-Y155 HydrophobicContact CG1-CE2 4.37Å; I79-Y155 HydrophobicContact CG1-CG 4.29Å; I79-Y155 HydrophobicContact CG2-CD1 3.62Å; I79-Y155 HydrophobicContact CG2-CD2 3.7Å; I79-Y155 HydrophobicContact CG2-CE1 3.51Å; I79-Y155 HydrophobicContact CG2-CE2 3.6Å; I79-Y155 HydrophobicContact CG2-CG 3.73Å; N153-Y155 HydrophobicContact CB-CD2 3.53Å; N153-Y155 HydrophobicContact CB-CE2 3.6Å; N153-Y155 HydrophobicContact CB-CG 4.28Å; N153-Y155 PolarHBondContact O-N 3.35Å; N153-Y155 VanDerWaalsContact O-N 3.14Å; Y155-T157 PolarHBondContact O-N 3.32Å
156E68.3Low72.9Confident21 Ų2163.1 Ų63.110%0.09831%0.313CS..  trans-82.2114.5172.7-164.2177.9-166.600109.7I83 R160 R161 Q164I83-E156 WeakPolarHBondContact CD1-OE2 3.27Å; E156-R160 HydrophobicContact CG-CB 3.99Å; E156-R160 HydrophobicContact CG-CG 3.89Å; E156-R161 VanDerWaalsContact CD-CG 3.49Å; E156-R161 HydrophobicContact CG-CG 3.78Å; E156-Q164 PolarHBondContact OE1-NE2 3.24Å; E156-Q164 PolarHBondContact OE1-OE1 2.8Å; E156-Q164 VanDerWaalsContact OE1-OE1 3.13Å
157T76.7Confident71.8Confident35 Ų3566 Ų6622%0.21533%0.331CS..  trans-68.8156.717564.50000111.1I148 L149 Y155 R159 R160 R161I148-T157 HydrophobicContact CG2-CG2 4Å; L149-T157 HydrophobicContact CD2-CG2 4.41Å; Y155-T157 PolarHBondContact O-N 3.32Å; T157-R159 VanDerWaalsContact C-N 3.26Å; T157-R159 PolarHBondContact O-N 3.36Å; T157-R160 PolarHBondContact O-N 3.15Å; T157-R160 WeakPolarHBondContact OG1-CB 3.38Å; T157-R160 PolarHBondContact OG1-N 3.48Å; T157-R160 VanDerWaalsContact OG1-N 3.17Å; T157-R161 PolarHBondContact O-N 3.31Å
158L83Confident70.9Confident10 Ų1072.1 Ų72.15%0.05236%0.355CS..Hα-helixtrans-56.3-42.8173.6-66.5-174.5000111.5I78 L120 R160 R161 V162 E212 R213 F216I78-L158 HydrophobicContact CD1-CD1 4.14Å; I78-L158 HydrophobicContact CD1-CD2 4.1Å; I78-L158 HydrophobicContact CD1-CG 4.38Å; I78-L158 HydrophobicContact CG2-CD2 4.19Å; I78-L158 HydrophobicContact CG2-CG 4.17Å; L120-L158 HydrophobicContact CD1-CB 4.21Å; L120-L158 HydrophobicContact CD1-CD1 4.12Å; L120-L158 HydrophobicContact CD1-CD2 4.16Å; L120-L158 HydrophobicContact CD1-CG 4.39Å; L120-L158 HydrophobicContact CD2-CB 4.34Å; L120-L158 HydrophobicContact CD2-CD2 3.97Å; L158-R160 VanDerWaalsContact C-N 3.31Å; L158-R160 PolarHBondContact O-N 3.13Å; L158-R161 WeakPolarHBondContact O-CB 3.22Å; L158-R161 PolarHBondContact O-N 3.06Å; L158-R161 VanDerWaalsContact O-N 3.09Å; L158-V162 WeakPolarHBondContact O-CG2 3.48Å; L158-V162 PolarHBondContact O-N 2.91Å; L158-E212 WeakPolarHBondContact CB-OE2 3.39Å; L158-E212 HydrophobicContact CD1-CG 4.31Å; L158-R213 HydrophobicContact CD1-CB 4.12Å; L158-R213 HydrophobicContact CD1-CG 4.36Å; L158-F216 HydrophobicContact CD1-CB 4.28Å; L158-F216 HydrophobicContact CD1-CD1 4.33Å; L158-F216 HydrophobicContact CD1-CG 4.38Å; L158-F216 HydrophobicContact CD2-CD1 4.09Å; L158-F216 HydrophobicContact CD2-CE1 4.06Å
159R79.5Confident69.9Low38 Ų3875.6 Ų75.614%0.14339%0.386CS..Hα-helixtrans-49.2-50.2170.9-171.9-166.9-64178.72.1112T157 R161 V162 E163 L200 S204 E209T157-R159 VanDerWaalsContact C-N 3.26Å; T157-R159 PolarHBondContact O-N 3.36Å; R159-R161 PolarHBondContact O-N 3.48Å; R159-V162 PolarHBondContact O-N 3.33Å; R159-E163 WeakPolarHBondContact O-CG 3.39Å; R159-E163 PolarHBondContact O-N 3.21Å; R159-L200 PolarHBondContact NH1-O 2.64Å; R159-S204 PolarHBondContact NH2-O 3.32Å; R159-E209 IonicContact CZ-OE1 2.75Å; R159-E209 IonicContact CZ-OE2 3.83Å; R159-E209 IonicContact NE-OE1 2.68Å; R159-E209 PolarHBondContact NE-OE1 3.4Å; R159-E209 IonicContact NE-OE2 2.85Å; R159-E209 IonicContact NH2-OE1 3.23Å; R159-E209 PolarHBondContact NH2-OE1 2.82Å; R159-E209 IonicContact NH2-OE2 3.87Å; R159-E209 PolarHBondContact NH2-OE2 3.22Å
160R76.9Confident69.1Low104 Ų10479.6 Ų79.639%0.39240%0.404SS..Hα-helixtrans-67.3-35.7-179.8-175.7171.5176.2-177.13.2112.4E156 T157 L158 E163 Q164E156-R160 HydrophobicContact CG-CB 3.99Å; E156-R160 HydrophobicContact CG-CG 3.89Å; T157-R160 PolarHBondContact O-N 3.15Å; T157-R160 WeakPolarHBondContact OG1-CB 3.38Å; T157-R160 PolarHBondContact OG1-N 3.48Å; T157-R160 VanDerWaalsContact OG1-N 3.17Å; L158-R160 VanDerWaalsContact C-N 3.31Å; L158-R160 PolarHBondContact O-N 3.13Å; R160-E163 PolarHBondContact O-N 2.84Å; R160-Q164 WeakPolarHBondContact O-CG 3.31Å; R160-Q164 PolarHBondContact O-N 3.21Å; R160-Q164 VanDerWaalsContact O-N 3.09Å
161R81.5Confident69.2Low6 Ų680.6 Ų80.62%0.02341%0.412CS..Hα-helixtrans-62.9-43.1173.3-71.3178.261.5178.91111.9N117 L120 E156 T157 L158 R159 Q164 T165N117-R161 VanDerWaalsContact OD1-CZ 3.28Å; N117-R161 PolarHBondContact OD1-NE 3.17Å; N117-R161 PolarHBondContact OD1-NH2 2.94Å; L120-R161 HydrophobicContact CD2-CB 3.92Å; E156-R161 VanDerWaalsContact CD-CG 3.49Å; E156-R161 HydrophobicContact CG-CG 3.78Å; T157-R161 PolarHBondContact O-N 3.31Å; L158-R161 WeakPolarHBondContact O-CB 3.22Å; L158-R161 PolarHBondContact O-N 3.06Å; L158-R161 VanDerWaalsContact O-N 3.09Å; R159-R161 PolarHBondContact O-N 3.48Å; R161-Q164 PolarHBondContact O-N 2.78Å; R161-T165 PolarHBondContact O-N 3.01Å; R161-T165 PolarHBondContact O-OG1 3.22Å
162V81.7Confident69.4Low8 Ų879.3 Ų79.35%0.04840%0.401CS..Hα-helixtrans-62-47.6176.1169.20000111L120 L121 D124 L158 R159 Q164 T165 T166L120-V162 HydrophobicContact CD1-CG2 4.45Å; L120-V162 HydrophobicContact CD2-CG2 3.82Å; L120-V162 HydrophobicContact CG-CG2 3.72Å; L121-V162 HydrophobicContact CD2-CG1 3.95Å; D124-V162 HydrophobicContact CB-CG1 4.42Å; D124-V162 HydrophobicContact CB-CG2 4.08Å; L158-V162 WeakPolarHBondContact O-CG2 3.48Å; L158-V162 PolarHBondContact O-N 2.91Å; R159-V162 PolarHBondContact O-N 3.33Å; V162-Q164 VanDerWaalsContact C-N 3.29Å; V162-Q164 PolarHBondContact O-N 3.24Å; V162-T165 PolarHBondContact O-N 3.44Å; V162-T166 PolarHBondContact O-N 3.48Å; V162-T166 PolarHBondContact O-OG1 3.36Å
163E75.6Confident69.7Low102 Ų10275.3 Ų75.348%0.47739%0.386SS..Hα-helixtrans-59.9-36.6178.3-74.5176.5-171.700113.1R159 R160 T166R159-E163 WeakPolarHBondContact O-CG 3.39Å; R159-E163 PolarHBondContact O-N 3.21Å; R160-E163 PolarHBondContact O-N 2.84Å; E163-T166 PolarHBondContact O-OG1 2.82Å
164Q72.2Confident69.8Low105 Ų10582 Ų8249%0.49141%0.407SS..Hα-helixtrans-75.8-31.5177.7-73.3178.135.900113.2E156 R160 R161 V162 T166E156-Q164 PolarHBondContact OE1-NE2 3.24Å; E156-Q164 PolarHBondContact OE1-OE1 2.8Å; E156-Q164 VanDerWaalsContact OE1-OE1 3.13Å; R160-Q164 WeakPolarHBondContact O-CG 3.31Å; R160-Q164 PolarHBondContact O-N 3.21Å; R160-Q164 VanDerWaalsContact O-N 3.09Å; R161-Q164 PolarHBondContact O-N 2.78Å; V162-Q164 VanDerWaalsContact C-N 3.29Å; V162-Q164 PolarHBondContact O-N 3.24Å; Q164-T166 VanDerWaalsContact C-N 3.33Å
165T71.8Confident70.3Confident50 Ų5080.9 Ų80.931%0.30740%0.404SS..Hα-helixtrans-76.5-26.2179.6-48.80000111.3N117 L121 R161 V162 L167N117-T165 HydrophobicContact CB-CG2 4.17Å; N117-T165 PolarHBondContact ND2-OG1 2.95Å; L121-T165 HydrophobicContact CD1-CG2 3.52Å; L121-T165 HydrophobicContact CG-CG2 4.24Å; R161-T165 PolarHBondContact O-N 3.01Å; R161-T165 PolarHBondContact O-OG1 3.22Å; V162-T165 PolarHBondContact O-N 3.44Å; T165-L167 PolarHBondContact O-N 3.11Å
166T67.2Low70.4Confident71 Ų7189.4 Ų89.444%0.43644%0.435SS..SBendtrans-82110.6178.647.10000111.9L121 V162 E163 Q164 K168L121-T166 HydrophobicContact CD2-CG2 3.91Å; V162-T166 PolarHBondContact O-N 3.48Å; V162-T166 PolarHBondContact O-OG1 3.36Å; E163-T166 PolarHBondContact O-OG1 2.82Å; Q164-T166 VanDerWaalsContact C-N 3.33Å; T166-K168 PolarHBondContact O-N 3.04Å
167L62Low70.6Confident172 Ų17293.3 Ų93.390%0.90147%0.465SS*.  trans-69122.8177.7-69.1172.7000111.3T165 A169T165-L167 PolarHBondContact O-N 3.11Å; L167-A169 PolarHBondContact O-N 3.42Å
168K59.7Low70.1Confident190 Ų19093.9 Ų93.983%0.82648%0.478SS*.  trans-78.8104.7171.1-63.6-176.3-177.2178.60109.3T166T166-K168 PolarHBondContact O-N 3.04Å
169A56.4Low69.5Low85 Ų8596.9 Ų96.970%0.70250%0.497SS*.  trans-77.1139.6173.400000111L167L167-A169 PolarHBondContact O-N 3.42Å
170Q59.5Low69.1Low110 Ų11099.2 Ų99.251%0.51452%0.515SS..  trans-127.6145.9172.8-66.7-174.3-17.900109.7V182Q170-V182 HydrophobicContact CB-CG1 3.88Å
171T70.7Confident68.7Low69 Ų6998.7 Ų98.742%0.42352%0.52SS..EExtended strand (participates in β ladder)trans-85.8120.5179-51.70000109.3S183T171-S183 PolarHBondContact N-O 3.34Å; T171-S183 PolarHBondContact O-N 2.88Å; T171-S183 VanDerWaalsContact O-O 3.1Å; T171-S183 PolarHBondContact O-OG 2.95Å
172V66Low67.8Low88 Ų88102.7 Ų102.753%0.53355%0.545SS..EExtended strand (participates in β ladder)trans-90.6115.9174-177.60000108.8T180V172-T180 HydrophobicContact CG1-CG2 4.46Å
173N66.8Low66.6Low89 Ų89104.2 Ų104.248%0.47656%0.556SS.*EExtended strand (participates in β ladder)trans-101.6124.7175.1-74.6-44.5000109.6N181 S183N173-N181 PolarHBondContact N-O 3.47Å; N173-N181 PolarHBondContact O-N 3.34Å; N173-S183 PolarHBondContact ND2-OG 3.33Å
174R65.8Low65.4Low194 Ų194103.2 Ų103.273%0.73256%0.56SS**EExtended strand (participates in β ladder)trans-97.1124.8171.4-77.5176.291.7178.86.1109.6T180R174-T180 HydrophobicContact CG-CG2 3.78Å
175N68.6Low64.3Low69 Ų69100.5 Ų100.537%0.36955%0.552SS.*PPolyproline II helixtrans-81.4163.9169.571.813.6000110.9S177 G178 V179N175-S177 PolarHBondContact O-N 3.49Å; N175-S177 PolarHBondContact OD1-N 2.96Å; N175-G178 PolarHBondContact O-N 3.29Å; N175-G178 PolarHBondContact OD1-N 3.41Å; N175-V179 PolarHBondContact N-O 3.32Å; N175-V179 WeakPolarHBondContact OD1-CA 3.46Å; N175-V179 WeakPolarHBondContact OD1-CB 3.49Å; N175-V179 PolarHBondContact OD1-N 2.93Å; N175-V179 PolarHBondContact OD1-O 2.87Å
176R68.9Low62.9Low261 Ų261101.2 Ų101.299%0.98557%0.569SS**THydrogen-bonded Turntrans-62.7-11.4-179.4-68.3-175.9178.7-176.2-0.4114
177S71.4Confident61.9Low104 Ų104107.9 Ų107.973%0.72759%0.592SS**THydrogen-bonded Turntrans-90.93.2174.8-53.40000113N175 V179N175-S177 PolarHBondContact O-N 3.49Å; N175-S177 PolarHBondContact OD1-N 2.96Å; S177-V179 VanDerWaalsContact C-N 3.3Å; S177-V179 PolarHBondContact O-N 2.97Å
178G67.3Low60.8Low47 Ų47103.7 Ų103.749%0.48558%0.582SS.*SBendtrans81.92.4179.400000114.7N175N175-G178 PolarHBondContact O-N 3.29Å; N175-G178 PolarHBondContact OD1-N 3.41Å
179V70.8Confident59.8Low73 Ų73101.1 Ų101.144%0.44258%0.577SS.*  trans-76.4127.3175.1-174.60000109.2N175 S177N175-V179 PolarHBondContact N-O 3.32Å; N175-V179 WeakPolarHBondContact OD1-CA 3.46Å; N175-V179 WeakPolarHBondContact OD1-CB 3.49Å; N175-V179 PolarHBondContact OD1-N 2.93Å; N175-V179 PolarHBondContact OD1-O 2.87Å; S177-V179 VanDerWaalsContact C-N 3.3Å; S177-V179 PolarHBondContact O-N 2.97Å
180T70Confident58.8Low86 Ų86101.2 Ų101.253%0.52857%0.566SS.*EExtended strand (participates in β ladder)trans-89.1112.1173.347.80000109.4V172 R174V172-T180 HydrophobicContact CG1-CG2 4.46Å; R174-T180 HydrophobicContact CG-CG2 3.78Å
181N69.1Low57.8Low94 Ų94103.5 Ų103.550%0.50358%0.581SS.*EExtended strand (participates in β ladder)trans-100.5124.6169.5-71.9-13.7000108.7N173N173-N181 PolarHBondContact N-O 3.47Å; N173-N181 PolarHBondContact O-N 3.34Å
182V61.7Low56.2Low90 Ų90109.2 Ų109.255%0.54560%0.595SS.*EExtended strand (participates in β ladder)trans-87.3112.4171-168.60000107Q170Q170-V182 HydrophobicContact CB-CG1 3.88Å
183S58.3Low54.7Low40 Ų40109.8 Ų109.828%0.2860%0.601SS.*EExtended strand (participates in β ladder)trans-101.2124.2171.640.10000108T171 N173T171-S183 PolarHBondContact N-O 3.34Å; T171-S183 PolarHBondContact O-N 2.88Å; T171-S183 VanDerWaalsContact O-O 3.1Å; T171-S183 PolarHBondContact O-OG 2.95Å; N173-S183 PolarHBondContact ND2-OG 3.33Å
184S50.1Low53.6Low80 Ų80109 Ų10956%0.55960%0.603SS**  trans-53.8139.8160-53.40000107.6G186S184-G186 PolarHBondContact O-N 2.83Å
185P47.8Very low52.5Low48 Ų48103.7 Ų103.731%0.31259%0.589SS.*  trans-55.8106.2174.7-15.827.7000106.9K187P185-K187 VanDerWaalsContact C-N 3.32Å; P185-K187 PolarHBondContact O-N 3.41Å
186G43.9Very low51.5Low65 Ų65109.3 Ų109.367%0.6761%0.613SS**  trans-70.693.1-177.800000107.8S184 A188S184-G186 PolarHBondContact O-N 2.83Å; G186-A188 VanDerWaalsContact O-CB 3.24Å; G186-A188 WeakPolarHBondContact O-CB 3.39Å; G186-A188 PolarHBondContact O-N 3.16Å
187K45Very low51Low211 Ų21199.7 Ų99.792%0.91758%0.577SS**SBendtrans45-5.2173.4-75.8-171.4173.3-170.80119.2P185P185-K187 VanDerWaalsContact C-N 3.32Å; P185-K187 PolarHBondContact O-N 3.41Å
188A39.2Very low50.4Low84 Ų84103.3 Ų103.369%0.69458%0.582SS**SBendtrans-123.9-0.5-156.300000115.3G186G186-A188 VanDerWaalsContact O-CB 3.24Å; G186-A188 WeakPolarHBondContact O-CB 3.39Å; G186-A188 PolarHBondContact O-N 3.16Å
189L38.1Very low50.4Low137 Ų137105.7 Ų105.772%0.71759%0.587SS**  trans-140.444.1172.3-77.5171.2000111.9L191L189-L191 VanDerWaalsContact C-N 3.27Å; L189-L191 PolarHBondContact O-N 3.48Å
190N35.9Very low50.8Low87 Ų87103.8 Ų103.847%0.46558%0.575SS.*  trans-71.487.5159.6-99-6.5000107.4Y192 S194N190-Y192 CarbonylContact C-O 3.48Å; N190-Y192 WeakPolarHBondContact CB-O 3.33Å; N190-Y192 CarbonylContact O-C 3.6Å; N190-Y192 VanDerWaalsContact O-C 3.28Å; N190-Y192 PolarHBondContact O-N 3.42Å; N190-S194 PolarHBondContact ND2-OG 3.14Å
191L38.4Very low51.2Low158 Ų158104.1 Ų104.183%0.82758%0.578SS**SBendtrans-62.9-5173.7-87.6151.2000113.2L189L189-L191 VanDerWaalsContact C-N 3.27Å; L189-L191 PolarHBondContact O-N 3.48Å
192Y38.4Very low51.3Low188 Ų188105.6 Ų105.674%0.73760%0.596SS**SBendtrans-119.8124.4153.5-63-85.3000105.6N190 S194N190-Y192 CarbonylContact C-O 3.48Å; N190-Y192 WeakPolarHBondContact CB-O 3.33Å; N190-Y192 CarbonylContact O-C 3.6Å; N190-Y192 VanDerWaalsContact O-C 3.28Å; N190-Y192 PolarHBondContact O-N 3.42Å; Y192-S194 PolarHBondContact O-N 3.41Å
193P33.5Very low52.1Low100 Ų100102.6 Ų102.665%0.64958%0.583SS**  trans-52.8117.1163.816.3-17.5000105.4N195P193-N195 PolarHBondContact O-N 3.25Å
194S43.4Very low53.5Low73 Ų73102.6 Ų102.651%0.5158%0.583SS.*  trans-54.994.4154.745.80000104.1N190 Y192 E196N190-S194 PolarHBondContact ND2-OG 3.14Å; Y192-S194 PolarHBondContact O-N 3.41Å; S194-E196 VanDerWaalsContact C-N 3.31Å; S194-E196 PolarHBondContact O-N 3.38Å
195N43.7Very low55.4Low83 Ų8399 Ų9944%0.44456%0.557SS.*  trans-51108.7165.5-86.99.4000104.1P193 Y197P193-N195 PolarHBondContact O-N 3.25Å; N195-Y197 HydrophobicContact CB-CD2 3.61Å; N195-Y197 HydrophobicContact CB-CE2 3.44Å; N195-Y197 VanDerWaalsContact CB-CE2 3.44Å; N195-Y197 WeakPolarHBondContact ND2-CE2 3.43Å; N195-Y197 PolarHBondContact ND2-OH 2.99Å; N195-Y197 PolarHBondContact O-N 2.78Å
196E47.2Very low57.6Low186 Ų18696.8 Ų96.887%0.86954%0.543SS*.  trans-65.573.8174-73179.2153.800107.4S194S194-E196 VanDerWaalsContact C-N 3.31Å; S194-E196 PolarHBondContact O-N 3.38Å
197Y57.8Low60Low59 Ų5994.5 Ų94.523%0.23152%0.515CS..  trans-86.3112.9159.4-65.8-62.9000105.7R128 Q138 N195 V199R128-Y197 HydrophobicContact CB-CE2 4.04Å; R128-Y197 HydrophobicContact CG-CE2 4.47Å; R128-Y197 VanDerWaalsContact O-CZ 3.26Å; R128-Y197 PolarHBondContact O-OH 3.43Å; Q138-Y197 HydrophobicContact CG-CD1 4.03Å; Q138-Y197 HydrophobicContact CG-CE1 3.77Å; N195-Y197 HydrophobicContact CB-CD2 3.61Å; N195-Y197 HydrophobicContact CB-CE2 3.44Å; N195-Y197 VanDerWaalsContact CB-CE2 3.44Å; N195-Y197 WeakPolarHBondContact ND2-CE2 3.43Å; N195-Y197 PolarHBondContact ND2-OH 2.99Å; N195-Y197 PolarHBondContact O-N 2.78Å; Y197-V199 PolarHBondContact O-N 3.48Å; Y197-V199 VanDerWaalsContact O-N 3.1Å
198E59.1Low62.4Low181 Ų18185.3 Ų85.385%0.84647%0.474SS*.  trans-58.9118.2173.5-72-171.8162.600108.5L200E198-L200 PolarHBondContact O-N 2.81Å; E198-L200 VanDerWaalsContact O-N 3.09Å
199V66.4Low65Low96 Ų9681.9 Ų81.958%0.58244%0.444SS*.  trans-62.8114.8172.5178.90000106.8Y197Y197-V199 PolarHBondContact O-N 3.48Å; Y197-V199 VanDerWaalsContact O-N 3.1Å
200L80.1Confident67.8Low34 Ų3475.4 Ų75.418%0.17841%0.41CS..PPolyproline II helixtrans-60.6149.3-179.1-67.8174.2000110.8P140 R159 E198 E205 A206P140-L200 HydrophobicContact CB-CD1 3.95Å; R159-L200 PolarHBondContact NH1-O 2.64Å; E198-L200 PolarHBondContact O-N 2.81Å; E198-L200 VanDerWaalsContact O-N 3.09Å; L200-E205 VanDerWaalsContact CD1-C 3.49Å; L200-A206 HydrophobicContact CD1-CB 3.73Å
201P78.2Confident70.8Confident93 Ų9371.3 Ų71.360%0.60439%0.388SS*.PPolyproline II helixtrans-53.2156.6178.5-25.133.5000113.3G203 S204P201-G203 PolarHBondContact O-N 2.81Å; P201-S204 WeakPolarHBondContact O-CB 3.44Å; P201-S204 PolarHBondContact O-N 3.15Å
202S71.5Confident73.5Confident124 Ų12463.9 Ų63.987%0.86735%0.349SS*.THydrogen-bonded Turntrans-54133.3175.1-56.60000111.4
203G78.3Confident76.3Confident27 Ų2755.3 Ų55.328%0.27832%0.316SS..THydrogen-bonded Turntrans88-2.8-174.900000114.8P201P201-G203 PolarHBondContact O-N 2.81Å
204S86.8Confident79.4Confident41 Ų4150.6 Ų50.629%0.28729%0.285SS..  trans-115.5144.7172.2-610000111.3R159 P201R159-S204 PolarHBondContact NH2-O 3.32Å; P201-S204 WeakPolarHBondContact O-CB 3.44Å; P201-S204 PolarHBondContact O-N 3.15Å
205E90.7Very high82Confident4 Ų447.1 Ų47.12%0.01926%0.261CS..  trans-132151.2169.465.5-177168.600110.6P140 T141 P144 C145 L149 L200 E209 V210 R213P140-E205 WeakPolarHBondContact CA-O 3.47Å; T141-E205 HydrophobicContact CG2-CG 3.72Å; T141-E205 WeakPolarHBondContact CG2-O 3.23Å; T141-E205 PolarHBondContact N-O 3.14Å; P144-E205 HydrophobicContact CB-CG 4.06Å; C145-E205 WeakPolarHBondContact CB-OE1 3.27Å; C145-E205 PolarHBondContact N-OE1 3.42Å; L149-E205 HydrophobicContact CD1-CB 3.77Å; L149-E205 HydrophobicContact CD1-CG 3.7Å; L200-E205 VanDerWaalsContact CD1-C 3.49Å; E205-E209 VanDerWaalsContact CA-OE2 3.28Å; E205-E209 WeakPolarHBondContact CA-OE2 3.33Å; E205-E209 HydrophobicContact CB-CB 4.21Å; E205-E209 WeakPolarHBondContact CB-OE2 3.39Å; E205-V210 HydrophobicContact CG-CG2 4.28Å; E205-R213 IonicContact OE1-CZ 3.35Å; E205-R213 IonicContact OE1-NH1 2.78Å; E205-R213 IonicContact OE1-NH2 3.72Å; E205-R213 PolarHBondContact OE1-NH2 2.8Å; E205-R213 IonicContact OE2-CZ 2.85Å; E205-R213 IonicContact OE2-NH1 3.13Å; E205-R213 PolarHBondContact OE2-NH1 2.87Å; E205-R213 IonicContact OE2-NH2 3.64Å; E205-R213 PolarHBondContact OE2-NH2 3.37Å
206A93.3Very high84.5Confident1 Ų143.2 Ų43.21%0.00824%0.24CC..BIsolated β-bridgetrans-83.1157177.500000110.3R139 L200 W208 E209 V210R139-A206 WeakPolarHBondContact O-CA 3.39Å; L200-A206 HydrophobicContact CD1-CB 3.73Å; A206-W208 HydrophobicContact CB-CD2 4.49Å; A206-W208 HydrophobicContact CB-CG 4.13Å; A206-W208 PolarHBondContact O-N 3.07Å; A206-E209 HydrophobicContact CB-CG 4.46Å; A206-E209 PolarHBondContact N-OE2 2.83Å; A206-E209 WeakPolarHBondContact O-CB 3.19Å; A206-E209 PolarHBondContact O-N 3.34Å; A206-V210 PolarHBondContact O-N 3Å
207H96.1Very high86.8Confident17 Ų1734.3 Ų34.38%0.07920%0.198CC..Hα-helixtrans-56.3-34174.3-79.4-68.2000113.2F136 F137 R139 E209 V210 V211 Y239F136-H207 HydrophobicContact CD1-CB 4.4Å; F136-H207 HydrophobicContact CE1-CB 4.03Å; F136-H207 AromaticContact CE1-CG 3.84Å; F136-H207 AromaticContact CE1-ND1 3.98Å; F136-H207 AromaticContact CE2-CD2 3.95Å; F136-H207 AromaticContact CE2-CE1 3.85Å; F136-H207 AromaticContact CE2-NE2 3.7Å; F136-H207 HydrophobicContact CZ-CB 4.42Å; F136-H207 AromaticContact CZ-CD2 3.94Å; F136-H207 AromaticContact CZ-CE1 3.61Å; F136-H207 AromaticContact CZ-CG 3.73Å; F136-H207 AromaticContact CZ-ND1 3.54Å; F136-H207 AromaticContact CZ-NE2 3.86Å; F136-H207 PolarHBondContact O-CD2 3.17Å; F137-H207 HydrophobicContact CD1-CB 4.46Å; F137-H207 PolarHBondContact O-N 3.42Å; R139-H207 PolarHBondContact O-CD2 3.27Å; R139-H207 PolarHBondContact O-N 3.49Å; R139-H207 VanDerWaalsContact O-N 3.1Å; H207-E209 VanDerWaalsContact C-N 3.3Å; H207-E209 PolarHBondContact O-N 3.3Å; H207-V210 WeakPolarHBondContact O-CB 3.37Å; H207-V210 PolarHBondContact O-N 3.36Å; H207-V211 WeakPolarHBondContact O-CG2 3.35Å; H207-V211 PolarHBondContact O-N 3.35Å; H207-V211 VanDerWaalsContact O-N 3.14Å; H207-Y239 HydrophobicContact CB-CE1 3.88Å; H207-Y239 AromaticContact CG-CE1 3.97Å; H207-Y239 AromaticContact ND1-CE1 3.35Å; H207-Y239 VanDerWaalsContact ND1-CE1 3.35Å; H207-Y239 WeakPolarHBondContact ND1-CE1 3.33Å; H207-Y239 AromaticContact ND1-CZ 3.47Å; H207-Y239 PolarHBondContact ND1-OH 3.24Å
208W95Very high88.7Confident18 Ų1831.7 Ų31.77%0.06819%0.188CC..Hα-helixtrans-65.5-29.2174.868.8-101.2000113.3V127 R128 F137 A206 V211 E212V127-W208 HydrophobicContact CG2-CE3 3.8Å; R128-W208 HydrophobicContact CG-CD2 4.45Å; R128-W208 HydrophobicContact CG-CE3 4.21Å; R128-W208 HydrophobicContact CG-CZ3 4.33Å; R128-W208 VanDerWaalsContact CZ-CH2 3.41Å; F137-W208 HydrophobicContact CB-CB 4.44Å; F137-W208 PolarHBondContact O-N 3.35Å; A206-W208 HydrophobicContact CB-CD2 4.49Å; A206-W208 HydrophobicContact CB-CG 4.13Å; A206-W208 PolarHBondContact O-N 3.07Å; W208-V211 PolarHBondContact O-N 3.16Å; W208-E212 PolarHBondContact O-N 3.1Å
209E93.9Very high90.4Very high12 Ų1223.2 Ų23.26%0.05615%0.149CC..Hα-helixtrans-72.4-32.9175.7-66.817898.500111.6R159 E205 A206 H207 V211 E212 R213R159-E209 IonicContact CZ-OE1 2.75Å; R159-E209 IonicContact CZ-OE2 3.83Å; R159-E209 IonicContact NE-OE1 2.68Å; R159-E209 PolarHBondContact NE-OE1 3.4Å; R159-E209 IonicContact NE-OE2 2.85Å; R159-E209 IonicContact NH2-OE1 3.23Å; R159-E209 PolarHBondContact NH2-OE1 2.82Å; R159-E209 IonicContact NH2-OE2 3.87Å; R159-E209 PolarHBondContact NH2-OE2 3.22Å; E205-E209 VanDerWaalsContact CA-OE2 3.28Å; E205-E209 WeakPolarHBondContact CA-OE2 3.33Å; E205-E209 HydrophobicContact CB-CB 4.21Å; E205-E209 WeakPolarHBondContact CB-OE2 3.39Å; A206-E209 HydrophobicContact CB-CG 4.46Å; A206-E209 PolarHBondContact N-OE2 2.83Å; A206-E209 WeakPolarHBondContact O-CB 3.19Å; A206-E209 PolarHBondContact O-N 3.34Å; H207-E209 VanDerWaalsContact C-N 3.3Å; H207-E209 PolarHBondContact O-N 3.3Å; E209-V211 VanDerWaalsContact C-N 3.35Å; E209-E212 WeakPolarHBondContact O-CB 3.46Å; E209-E212 PolarHBondContact O-N 3.34Å; E209-R213 WeakPolarHBondContact O-CB 3.19Å; E209-R213 PolarHBondContact O-N 3.38Å; E209-R213 VanDerWaalsContact O-N 3.09Å; E209-R213 PolarHBondContact O-NH1 2.93Å
210V96.8Very high91.7Very high2 Ų221 Ų211%0.01213%0.131CC..Hα-helixtrans-63.8-45.3171.4-175.50000109.7T141 E205 A206 H207 R213 I214 Y239 E255T141-V210 HydrophobicContact CG2-CG2 4.23Å; E205-V210 HydrophobicContact CG-CG2 4.28Å; A206-V210 PolarHBondContact O-N 3Å; H207-V210 WeakPolarHBondContact O-CB 3.37Å; H207-V210 PolarHBondContact O-N 3.36Å; V210-R213 PolarHBondContact O-N 3.31Å; V210-I214 HydrophobicContact CG1-CD1 4.3Å; V210-I214 WeakPolarHBondContact O-CG1 3.29Å; V210-I214 PolarHBondContact O-N 3.06Å; V210-Y239 HydrophobicContact CB-CE1 4.42Å; V210-Y239 HydrophobicContact CB-CE2 4.24Å; V210-Y239 HydrophobicContact CG1-CD2 4.38Å; V210-Y239 HydrophobicContact CG1-CE2 3.53Å; V210-E255 HydrophobicContact CG1-CB 3.69Å; V210-E255 HydrophobicContact CG1-CG 3.55Å
211V98Very high92.3Very high0 Ų022.3 Ų22.30%014%0.138CC..Hα-helixtrans-63.2-42.3176177.80000112V127 L130 F137 H207 W208 E209 R213 I214 L215 V235 Y239V127-V211 HydrophobicContact CG1-CB 4.39Å; V127-V211 HydrophobicContact CG1-CG1 3.79Å; L130-V211 HydrophobicContact CD2-CG1 4.19Å; L130-V211 HydrophobicContact CD2-CG2 4.5Å; F137-V211 HydrophobicContact CD1-CG2 4.4Å; F137-V211 HydrophobicContact CE1-CG2 4.19Å; H207-V211 WeakPolarHBondContact O-CG2 3.35Å; H207-V211 PolarHBondContact O-N 3.35Å; H207-V211 VanDerWaalsContact O-N 3.14Å; W208-V211 PolarHBondContact O-N 3.16Å; E209-V211 VanDerWaalsContact C-N 3.35Å; V211-R213 VanDerWaalsContact C-N 3.27Å; V211-R213 PolarHBondContact O-N 3.15Å; V211-I214 PolarHBondContact O-N 3.18Å; V211-L215 HydrophobicContact CG1-CD1 3.92Å; V211-L215 HydrophobicContact CG1-CG 4.46Å; V211-L215 WeakPolarHBondContact O-CG 3.22Å; V211-L215 PolarHBondContact O-N 3.02Å; V211-V235 HydrophobicContact CG1-CG1 3.48Å; V211-V235 VanDerWaalsContact CG1-CG1 3.48Å; V211-Y239 HydrophobicContact CG2-CD1 3.64Å; V211-Y239 HydrophobicContact CG2-CE1 4.22Å; V211-Y239 HydrophobicContact CG2-CG 4.02Å
212E96.4Very high93Very high3 Ų320 Ų201%0.01412%0.121CC..Hα-helixtrans-52.1-48.8174-175.7-178.8-126.200111L120 I123 D124 V127 L158 W208 E209 L215 F216L120-E212 HydrophobicContact CD1-CG 3.88Å; I123-E212 HydrophobicContact CG2-CB 4.28Å; I123-E212 HydrophobicContact CG2-CG 3.86Å; D124-E212 WeakPolarHBondContact CB-OE1 3.36Å; V127-E212 HydrophobicContact CG2-CB 4.05Å; L158-E212 WeakPolarHBondContact CB-OE2 3.39Å; L158-E212 HydrophobicContact CD1-CG 4.31Å; W208-E212 PolarHBondContact O-N 3.1Å; E209-E212 WeakPolarHBondContact O-CB 3.46Å; E209-E212 PolarHBondContact O-N 3.34Å; E212-L215 PolarHBondContact O-N 2.91Å; E212-F216 VanDerWaalsContact O-CB 3.31Å; E212-F216 WeakPolarHBondContact O-CB 3.49Å; E212-F216 PolarHBondContact O-N 3.33Å
213R96.2Very high93.8Very high8 Ų819.2 Ų19.23%0.0311%0.113CC..Hα-helixtrans-67.1-41.3-176.9-174.5165.159.8-112.98.5112.8L74 I78 L158 E205 E209 V210 V211 L215 F216 I217 E255L74-R213 HydrophobicContact CD2-CG 3.9Å; I78-R213 HydrophobicContact CD1-CG 4.37Å; I78-R213 HydrophobicContact CG1-CG 4.45Å; L158-R213 HydrophobicContact CD1-CB 4.12Å; L158-R213 HydrophobicContact CD1-CG 4.36Å; E205-R213 IonicContact OE1-CZ 3.35Å; E205-R213 IonicContact OE1-NH1 2.78Å; E205-R213 IonicContact OE1-NH2 3.72Å; E205-R213 PolarHBondContact OE1-NH2 2.8Å; E205-R213 IonicContact OE2-CZ 2.85Å; E205-R213 IonicContact OE2-NH1 3.13Å; E205-R213 PolarHBondContact OE2-NH1 2.87Å; E205-R213 IonicContact OE2-NH2 3.64Å; E205-R213 PolarHBondContact OE2-NH2 3.37Å; E209-R213 WeakPolarHBondContact O-CB 3.19Å; E209-R213 PolarHBondContact O-N 3.38Å; E209-R213 VanDerWaalsContact O-N 3.09Å; E209-R213 PolarHBondContact O-NH1 2.93Å; V210-R213 PolarHBondContact O-N 3.31Å; V211-R213 VanDerWaalsContact C-N 3.27Å; V211-R213 PolarHBondContact O-N 3.15Å; R213-L215 PolarHBondContact O-N 2.82Å; R213-F216 PolarHBondContact O-N 3.14Å; R213-I217 HydrophobicContact CG-CD1 4.03Å; R213-I217 VanDerWaalsContact O-CG1 3.31Å; R213-I217 WeakPolarHBondContact O-CG1 3.49Å; R213-I217 PolarHBondContact O-N 3.11Å; R213-E255 IonicContact CZ-OE1 3.93Å; R213-E255 IonicContact CZ-OE2 2.99Å; R213-E255 IonicContact NE-OE1 2.89Å; R213-E255 PolarHBondContact NE-OE1 3.16Å; R213-E255 IonicContact NE-OE2 2.74Å; R213-E255 VanDerWaalsContact NH2-CD 3.25Å; R213-E255 IonicContact NH2-OE1 2.7Å; R213-E255 PolarHBondContact NH2-OE1 3.43Å; R213-E255 IonicContact NH2-OE2 3.99Å; R213-E255 PolarHBondContact NH2-OE2 3.16Å
214I98.4Very high94.2Very high0 Ų020.6 Ų20.60%013%0.127CC..Hα-helixtrans-57.8-49.7174.2-66167.9000110.3V210 V211 I217 Y218 V235 Y239 E255 T258 F259V210-I214 HydrophobicContact CG1-CD1 4.3Å; V210-I214 WeakPolarHBondContact O-CG1 3.29Å; V210-I214 PolarHBondContact O-N 3.06Å; V211-I214 PolarHBondContact O-N 3.18Å; I214-I217 PolarHBondContact O-N 2.87Å; I214-Y218 WeakPolarHBondContact O-CB 3.31Å; I214-Y218 PolarHBondContact O-N 3.05Å; I214-V235 HydrophobicContact CG2-CG2 3.87Å; I214-Y239 HydrophobicContact CD1-CD2 4.18Å; I214-E255 HydrophobicContact CD1-CG 3.98Å; I214-E255 HydrophobicContact CG1-CG 3.76Å; I214-T258 HydrophobicContact CD1-CG2 3.79Å; I214-F259 HydrophobicContact CG2-CB 4.12Å; I214-F259 HydrophobicContact CG2-CD2 4.25Å
215L98.2Very high94.2Very high1 Ų119.4 Ų19.41%0.00512%0.117CC..Hα-helixtrans-66.2-39.2-179-70.9168.2000112.3I123 V127 V211 E212 R213 Y218 A219 Y227 M231 N232 V235 F262I123-L215 HydrophobicContact CD1-CB 4.04Å; I123-L215 HydrophobicContact CG1-CB 4.35Å; I123-L215 HydrophobicContact CG2-CB 3.85Å; I123-L215 HydrophobicContact CG2-CD1 3.9Å; V127-L215 HydrophobicContact CG1-CD1 3.65Å; V211-L215 HydrophobicContact CG1-CD1 3.92Å; V211-L215 HydrophobicContact CG1-CG 4.46Å; V211-L215 WeakPolarHBondContact O-CG 3.22Å; V211-L215 PolarHBondContact O-N 3.02Å; E212-L215 PolarHBondContact O-N 2.91Å; R213-L215 PolarHBondContact O-N 2.82Å; L215-Y218 PolarHBondContact O-N 3.48Å; L215-A219 WeakPolarHBondContact O-CB 3.22Å; L215-A219 PolarHBondContact O-N 3.32Å; L215-Y227 HydrophobicContact CB-CD2 4.48Å; L215-Y227 HydrophobicContact CD1-CE2 4.05Å; L215-Y227 HydrophobicContact CD2-CD2 4.4Å; L215-Y227 HydrophobicContact CD2-CE2 4.25Å; L215-M231 HydrophobicContact CD2-CB 3.92Å; L215-N232 HydrophobicContact CD1-CB 3.96Å; L215-V235 HydrophobicContact CD1-CG1 3.98Å; L215-V235 HydrophobicContact CD2-CB 4.34Å; L215-V235 HydrophobicContact CD2-CG1 3.81Å; L215-V235 HydrophobicContact CG-CG1 3.92Å; L215-F262 HydrophobicContact CD2-CE1 4.11Å; L215-F262 HydrophobicContact CD2-CZ 3.95Å
216F96.1Very high94.2Very high0 Ų020.2 Ų20.20%012%0.124CC..Hα-helixtrans-65.3-44.4179-176.5-100.9000111.5I78 D116 L120 I123 L158 E212 R213 A219 K220I78-F216 HydrophobicContact CD1-CD1 3.38Å; I78-F216 HydrophobicContact CD1-CE1 3.73Å; D116-F216 HydrophobicContact CB-CE2 4.12Å; D116-F216 HydrophobicContact CB-CZ 4.02Å; L120-F216 HydrophobicContact CB-CD2 3.99Å; L120-F216 HydrophobicContact CB-CE2 3.92Å; L120-F216 HydrophobicContact CD1-CD2 3.88Å; L120-F216 HydrophobicContact CD1-CE2 4.41Å; L120-F216 HydrophobicContact CD1-CG 4.29Å; L120-F216 HydrophobicContact CG-CD2 4.46Å; I123-F216 HydrophobicContact CD1-CB 4.11Å; I123-F216 HydrophobicContact CD1-CD2 4.37Å; L158-F216 HydrophobicContact CD1-CB 4.28Å; L158-F216 HydrophobicContact CD1-CD1 4.33Å; L158-F216 HydrophobicContact CD1-CG 4.38Å; L158-F216 HydrophobicContact CD2-CD1 4.09Å; L158-F216 HydrophobicContact CD2-CE1 4.06Å; E212-F216 VanDerWaalsContact O-CB 3.31Å; E212-F216 WeakPolarHBondContact O-CB 3.49Å; E212-F216 PolarHBondContact O-N 3.33Å; R213-F216 PolarHBondContact O-N 3.14Å; F216-A219 PolarHBondContact O-N 3.42Å; F216-K220 HydrophobicContact CD1-CD 4.11Å; F216-K220 HydrophobicContact CE1-CD 3.44Å; F216-K220 VanDerWaalsContact CE1-CD 3.44Å; F216-K220 HydrophobicContact CE1-CG 4.31Å; F216-K220 HydrophobicContact CE2-CD 4.38Å; F216-K220 HydrophobicContact CZ-CD 3.6Å; F216-K220 HydrophobicContact CZ-CG 4.31Å; F216-K220 WeakPolarHBondContact O-CG 3.45Å; F216-K220 PolarHBondContact O-N 2.89Å; F216-K220 VanDerWaalsContact O-N 3.08Å
217I96.1Very high94.3Very high0 Ų021 Ų210%013%0.127CC..Hα-helixtrans-62.6-44.1174.7-68167.3000110.6Y70 F73 L74 M77 I78 R213 I214 A219 K220 L221 F259Y70-I217 HydrophobicContact CE2-CD1 3.85Å; Y70-I217 HydrophobicContact CE2-CG2 4.48Å; F73-I217 HydrophobicContact CB-CG2 3.91Å; F73-I217 HydrophobicContact CD2-CG2 4.19Å; F73-I217 HydrophobicContact CG-CG2 4.34Å; L74-I217 HydrophobicContact CD2-CD1 3.56Å; L74-I217 HydrophobicContact CG-CD1 4.28Å; M77-I217 HydrophobicContact SD-CG2 4.43Å; I78-I217 HydrophobicContact CD1-CD1 4.46Å; I78-I217 HydrophobicContact CD1-CG1 4Å; I78-I217 HydrophobicContact CG1-CD1 4.35Å; I78-I217 HydrophobicContact CG1-CG1 4.33Å; R213-I217 HydrophobicContact CG-CD1 4.03Å; R213-I217 VanDerWaalsContact O-CG1 3.31Å; R213-I217 WeakPolarHBondContact O-CG1 3.49Å; R213-I217 PolarHBondContact O-N 3.11Å; I214-I217 PolarHBondContact O-N 2.87Å; I217-A219 PolarHBondContact O-N 2.89Å; I217-K220 PolarHBondContact O-N 3.42Å; I217-L221 HydrophobicContact CG2-CD1 3.77Å; I217-L221 PolarHBondContact O-N 3.26Å; I217-F259 HydrophobicContact CB-CE2 4.31Å; I217-F259 HydrophobicContact CG2-CD2 4.22Å; I217-F259 HydrophobicContact CG2-CE2 3.66Å; I217-F259 HydrophobicContact CG2-CZ 4.11Å
218Y97.4Very high94.1Very high3 Ų322.4 Ų22.41%0.01214%0.137CC..Hα-helixtrans-57.5-47.6176.2175.4-91.2000111.9I214 L215 K220 L221 N222 M231 F262 T263 M266I214-Y218 WeakPolarHBondContact O-CB 3.31Å; I214-Y218 PolarHBondContact O-N 3.05Å; L215-Y218 PolarHBondContact O-N 3.48Å; Y218-K220 VanDerWaalsContact C-N 3.32Å; Y218-K220 PolarHBondContact O-N 3.36Å; Y218-L221 PolarHBondContact O-N 3.3Å; Y218-N222 WeakPolarHBondContact CD2-ND2 3.21Å; Y218-N222 HydrophobicContact CE1-CB 4.38Å; Y218-N222 WeakPolarHBondContact CE2-ND2 3.46Å; Y218-N222 WeakPolarHBondContact O-CB 3.14Å; Y218-N222 PolarHBondContact O-N 3.02Å; Y218-N222 PolarHBondContact O-ND2 3.25Å; Y218-M231 HydrophobicContact CD1-SD 4.29Å; Y218-M231 HydrophobicContact CE1-CE 3.95Å; Y218-M231 HydrophobicContact CE1-SD 3.94Å; Y218-F262 AromaticContact CD1-CE1 3.92Å; Y218-F262 HydrophobicContact CD1-CE1 3.92Å; Y218-F262 AromaticContact CD2-CD1 3.96Å; Y218-F262 HydrophobicContact CD2-CD1 3.96Å; Y218-F262 AromaticContact CD2-CE1 3.73Å; Y218-F262 HydrophobicContact CD2-CE1 3.73Å; Y218-F262 HydrophobicContact CE1-CE1 4.28Å; Y218-F262 HydrophobicContact CE2-CD1 4.45Å; Y218-F262 HydrophobicContact CE2-CE1 4.1Å; Y218-F262 HydrophobicContact CG-CD1 4.21Å; Y218-F262 AromaticContact CG-CE1 3.64Å; Y218-F262 HydrophobicContact CG-CE1 3.64Å; Y218-T263 HydrophobicContact CE2-CG2 4.41Å; Y218-M266 HydrophobicContact CE2-CB 3.98Å; Y218-M266 HydrophobicContact CE2-CG 4.37Å; Y218-M266 WeakPolarHBondContact OH-CB 3.17Å
219A95.3Very high93.8Very high3 Ų328.6 Ų28.63%0.02517%0.167CC..Hα-helixtrans-61.4-40.1-179.700000112I119 L215 F216 I217 N222I119-A219 HydrophobicContact CG2-CB 3.96Å; L215-A219 WeakPolarHBondContact O-CB 3.22Å; L215-A219 PolarHBondContact O-N 3.32Å; F216-A219 PolarHBondContact O-N 3.42Å; I217-A219 PolarHBondContact O-N 2.89Å; A219-N222 CarbonylContact O-C 3.57Å; A219-N222 PolarHBondContact O-N 3.09Å
220K92.3Very high93.7Very high49 Ų4928.3 Ų28.321%0.21317%0.167CC..Hα-helixtrans-68.1-36.9177-72.4-168.564.4150.80113.3M77 D116 F216 I217 Y218 N222M77-K220 HydrophobicContact CB-CD 4.13Å; M77-K220 PolarHBondContact O-NZ 3.19Å; M77-K220 HydrophobicContact SD-CB 3.83Å; D116-K220 WeakPolarHBondContact OD2-CE 3.41Å; D116-K220 IonicContact OD2-NZ 3.46Å; D116-K220 PolarHBondContact OD2-NZ 3.36Å; F216-K220 HydrophobicContact CD1-CD 4.11Å; F216-K220 HydrophobicContact CE1-CD 3.44Å; F216-K220 VanDerWaalsContact CE1-CD 3.44Å; F216-K220 HydrophobicContact CE1-CG 4.31Å; F216-K220 HydrophobicContact CE2-CD 4.38Å; F216-K220 HydrophobicContact CZ-CD 3.6Å; F216-K220 HydrophobicContact CZ-CG 4.31Å; F216-K220 WeakPolarHBondContact O-CG 3.45Å; F216-K220 PolarHBondContact O-N 2.89Å; F216-K220 VanDerWaalsContact O-N 3.08Å; I217-K220 PolarHBondContact O-N 3.42Å; Y218-K220 VanDerWaalsContact C-N 3.32Å; Y218-K220 PolarHBondContact O-N 3.36Å; K220-N222 VanDerWaalsContact C-N 3.33Å
221L94.3Very high93.6Very high62 Ų6228.2 Ų28.233%0.32517%0.166SC..Hα-helixtrans-76.3-20.5177.4-75.9167.8000113.3F73 M77 I217 Y218 P223 F259F73-L221 HydrophobicContact CD1-CD1 4.4Å; F73-L221 HydrophobicContact CD2-CD1 3.84Å; F73-L221 HydrophobicContact CE1-CD1 4.32Å; F73-L221 HydrophobicContact CE1-CD2 4.23Å; F73-L221 HydrophobicContact CE2-CD1 3.75Å; F73-L221 HydrophobicContact CG-CD1 4.18Å; F73-L221 HydrophobicContact CZ-CD1 4Å; F73-L221 HydrophobicContact CZ-CD2 4.45Å; M77-L221 HydrophobicContact CE-CD2 3.39Å; M77-L221 HydrophobicContact CE-CG 3.73Å; M77-L221 HydrophobicContact SD-CD2 4.39Å; M77-L221 HydrophobicContact SD-CG 4.07Å; I217-L221 HydrophobicContact CG2-CD1 3.77Å; I217-L221 PolarHBondContact O-N 3.26Å; Y218-L221 PolarHBondContact O-N 3.3Å; L221-P223 VanDerWaalsContact C-CD 3.41Å; L221-P223 WeakPolarHBondContact O-CD 3.49Å; L221-F259 HydrophobicContact CD1-CE1 4.44Å; L221-F259 HydrophobicContact CD1-CE2 4.15Å; L221-F259 HydrophobicContact CD1-CZ 3.51Å
222N92.6Very high93.6Very high44 Ų4428.4 Ų28.424%0.23517%0.167CC..  trans-122.659.7-175.7-63.4-85.7000111.9Y218 A219 K220 G224 I225 A226Y218-N222 WeakPolarHBondContact CD2-ND2 3.21Å; Y218-N222 HydrophobicContact CE1-CB 4.38Å; Y218-N222 WeakPolarHBondContact CE2-ND2 3.46Å; Y218-N222 WeakPolarHBondContact O-CB 3.14Å; Y218-N222 PolarHBondContact O-N 3.02Å; Y218-N222 PolarHBondContact O-ND2 3.25Å; A219-N222 CarbonylContact O-C 3.57Å; A219-N222 PolarHBondContact O-N 3.09Å; K220-N222 VanDerWaalsContact C-N 3.33Å; N222-G224 PolarHBondContact O-N 2.84Å; N222-I225 PolarHBondContact O-N 3.37Å; N222-A226 WeakPolarHBondContact O-CA 3.29Å; N222-A226 PolarHBondContact O-N 3.43Å
223P88.4Confident93.5Very high108 Ų10829.3 Ų29.370%0.70117%0.171SC*.THydrogen-bonded Turntrans-61.7-18.9-171.726.1-36.3000114.5L221 I225L221-P223 VanDerWaalsContact C-CD 3.41Å; L221-P223 WeakPolarHBondContact O-CD 3.49Å; P223-I225 VanDerWaalsContact C-N 3.32Å
224G85.6Confident93.6Very high56 Ų5628.9 Ų28.958%0.57717%0.17SC*.THydrogen-bonded Turntrans-74.2-17.8175.400000114.8N222N222-G224 PolarHBondContact O-N 2.84Å
225I87.1Confident93.6Very high17 Ų1728.9 Ų28.99%0.08717%0.17CC..THydrogen-bonded Turntrans-115.3-40.9172.7-48.7170.6000109.5N222 P223 V228 M231 R270 F273 I274N222-I225 PolarHBondContact O-N 3.37Å; P223-I225 VanDerWaalsContact C-N 3.32Å; I225-V228 HydrophobicContact CG2-CG2 4.05Å; I225-M231 HydrophobicContact CG2-CE 3.64Å; I225-R270 HydrophobicContact CD1-CB 4.2Å; I225-R270 HydrophobicContact CD1-CG 3.48Å; I225-R270 VanDerWaalsContact CD1-CG 3.48Å; I225-R270 HydrophobicContact CG1-CG 4.19Å; I225-F273 HydrophobicContact CG2-CB 3.72Å; I225-I274 HydrophobicContact CG1-CG1 4.34Å
226A91.4Very high93.6Very high20 Ų2028.9 Ų28.917%0.16517%0.17CC..  trans54.1-145.2-169.400000111.1I119 N222I119-A226 HydrophobicContact CD1-CB 4.29Å; N222-A226 WeakPolarHBondContact O-CA 3.29Å; N222-A226 PolarHBondContact O-N 3.43Å
227Y94.1Very high93.7Very high17 Ų1728.9 Ų28.97%0.06717%0.17CC..  trans-88.3134.3171.4177.8-108000110.3Q122 I123 D126 L215 M231 N232Q122-Y227 HydrophobicContact CB-CD1 4.04Å; Q122-Y227 HydrophobicContact CB-CE1 4.07Å; I123-Y227 HydrophobicContact CD1-CD2 4.15Å; I123-Y227 HydrophobicContact CD1-CG 4.06Å; I123-Y227 HydrophobicContact CG1-CD1 3.69Å; I123-Y227 HydrophobicContact CG1-CD2 3.57Å; I123-Y227 HydrophobicContact CG1-CE1 3.99Å; I123-Y227 HydrophobicContact CG1-CE2 3.87Å; I123-Y227 HydrophobicContact CG1-CG 3.47Å; I123-Y227 VanDerWaalsContact CG1-CG 3.47Å; D126-Y227 VanDerWaalsContact CB-OH 3.22Å; D126-Y227 WeakPolarHBondContact CB-OH 3.48Å; D126-Y227 VanDerWaalsContact CG-OH 3.32Å; D126-Y227 WeakPolarHBondContact OD2-CE1 3.42Å; D126-Y227 PolarHBondContact OD2-OH 2.86Å; L215-Y227 HydrophobicContact CB-CD2 4.48Å; L215-Y227 HydrophobicContact CD1-CE2 4.05Å; L215-Y227 HydrophobicContact CD2-CD2 4.4Å; L215-Y227 HydrophobicContact CD2-CE2 4.25Å; Y227-M231 HydrophobicContact CD2-CB 4.18Å; Y227-M231 HydrophobicContact CD2-SD 4.18Å; Y227-M231 HydrophobicContact CE2-CB 3.86Å; Y227-N232 PolarHBondContact OH-OD1 2.99Å
228V91.6Very high93.8Very high48 Ų4828.9 Ų28.929%0.29117%0.17SC..  trans-120.9131.3169.6-177.50000108.2I225 G230 M231 F273I225-V228 HydrophobicContact CG2-CG2 4.05Å; V228-G230 PolarHBondContact O-N 3.03Å; V228-M231 HydrophobicContact CB-CE 3.9Å; V228-M231 HydrophobicContact CB-SD 4.45Å; V228-M231 HydrophobicContact CG2-CE 3.91Å; V228-M231 PolarHBondContact N-SD 3.16Å; V228-M231 WeakPolarHBondContact O-CB 3.31Å; V228-M231 VanDerWaalsContact O-CG 3.28Å; V228-M231 WeakPolarHBondContact O-CG 3.29Å; V228-M231 PolarHBondContact O-N 3.21Å; V228-F273 HydrophobicContact CB-CD1 4.04Å; V228-F273 HydrophobicContact CG1-CD1 4.12Å; V228-F273 HydrophobicContact CG2-CB 4.35Å; V228-F273 HydrophobicContact CG2-CD1 4.34Å
229Q90.3Very high93.9Very high148 Ų14829 Ų2969%0.69217%0.17SC*.THydrogen-bonded Turntrans-50.8129.7177.4179.7175.5300110.5D126D126-Q229 WeakPolarHBondContact OD2-CG 3.46Å
230G91.1Very high94Very high5 Ų531.1 Ų31.15%0.05218%0.178CC..THydrogen-bonded Turntrans105.4-19.7-173.700000114.2V228 N232 E233 L323V228-G230 PolarHBondContact O-N 3.03Å; G230-N232 VanDerWaalsContact CA-OD1 3.3Å; G230-N232 WeakPolarHBondContact CA-OD1 3.45Å; G230-N232 PolarHBondContact N-OD1 3.27Å; G230-N232 PolarHBondContact O-N 3.25Å; G230-E233 WeakPolarHBondContact O-CB 3.41Å; G230-E233 PolarHBondContact O-N 2.96Å; G230-L323 VanDerWaalsContact CA-CD2 3.47Å
231M95.6Very high94.3Very high0 Ų029.2 Ų29.20%017%0.17CC..Hα-helixtrans-58.9-30.7172.5-76.9-179.7-178.600112.4L215 Y218 I225 Y227 V228 E233 I234 V235 F262 M266 F273L215-M231 HydrophobicContact CD2-CB 3.92Å; Y218-M231 HydrophobicContact CD1-SD 4.29Å; Y218-M231 HydrophobicContact CE1-CE 3.95Å; Y218-M231 HydrophobicContact CE1-SD 3.94Å; I225-M231 HydrophobicContact CG2-CE 3.64Å; Y227-M231 HydrophobicContact CD2-CB 4.18Å; Y227-M231 HydrophobicContact CD2-SD 4.18Å; Y227-M231 HydrophobicContact CE2-CB 3.86Å; V228-M231 HydrophobicContact CB-CE 3.9Å; V228-M231 HydrophobicContact CB-SD 4.45Å; V228-M231 HydrophobicContact CG2-CE 3.91Å; V228-M231 PolarHBondContact N-SD 3.16Å; V228-M231 WeakPolarHBondContact O-CB 3.31Å; V228-M231 VanDerWaalsContact O-CG 3.28Å; V228-M231 WeakPolarHBondContact O-CG 3.29Å; V228-M231 PolarHBondContact O-N 3.21Å; M231-E233 VanDerWaalsContact C-N 3.26Å; M231-E233 PolarHBondContact O-N 3.45Å; M231-I234 PolarHBondContact O-N 3.44Å; M231-I234 VanDerWaalsContact O-N 3.09Å; M231-V235 PolarHBondContact O-N 3.02Å; M231-F262 HydrophobicContact CB-CZ 4.15Å; M231-F262 HydrophobicContact CG-CZ 4.34Å; M231-M266 HydrophobicContact CE-CE 3.55Å; M231-M266 HydrophobicContact CG-CE 3.84Å; M231-M266 HydrophobicContact SD-CE 4.15Å; M231-F273 HydrophobicContact CE-CD1 4.16Å; M231-F273 HydrophobicContact CE-CG 4.33Å; M231-F273 HydrophobicContact CG-CE1 4.48Å
232N96.5Very high94.5Very high4 Ų426.2 Ų26.22%0.02116%0.155CC..Hα-helixtrans-57.2-37.9172.965.7-61.2000112.6D126 V127 L130 L215 Y227 G230 I234 V235 G236D126-N232 HydrophobicContact CB-CB 4.24Å; D126-N232 PolarHBondContact O-ND2 3.25Å; V127-N232 HydrophobicContact CG1-CB 4.15Å; L130-N232 WeakPolarHBondContact CD1-O 3.05Å; L215-N232 HydrophobicContact CD1-CB 3.96Å; Y227-N232 PolarHBondContact OH-OD1 2.99Å; G230-N232 VanDerWaalsContact CA-OD1 3.3Å; G230-N232 WeakPolarHBondContact CA-OD1 3.45Å; G230-N232 PolarHBondContact N-OD1 3.27Å; G230-N232 PolarHBondContact O-N 3.25Å; N232-I234 VanDerWaalsContact C-N 3.26Å; N232-I234 PolarHBondContact O-N 3.3Å; N232-V235 WeakPolarHBondContact O-CG1 3.46Å; N232-G236 PolarHBondContact O-N 2.85Å
233E96Very high94.8Very high22 Ų2224.8 Ų24.810%0.10315%0.149CC..Hα-helixtrans-73.2-19.5178.6-54.8-64.4160.400112.5L130 G230 M231 P237 S326 Q327L130-E233 WeakPolarHBondContact CD1-OE2 3.47Å; G230-E233 WeakPolarHBondContact O-CB 3.41Å; G230-E233 PolarHBondContact O-N 2.96Å; M231-E233 VanDerWaalsContact C-N 3.26Å; M231-E233 PolarHBondContact O-N 3.45Å; E233-P237 WeakPolarHBondContact O-CD 3.24Å; E233-S326 VanDerWaalsContact CB-OG 3.29Å; E233-S326 WeakPolarHBondContact CB-OG 3.44Å; E233-Q327 HydrophobicContact CG-CG 4.23Å
234I97.4Very high95.1Very high0 Ų022 Ų220%013%0.13CC..Hα-helixtrans-86.6-47.1176.3-58.7174.4000110.6M231 N232 G236 P237 F262 L265 M266 F273 T322 L324 W338M231-I234 PolarHBondContact O-N 3.44Å; M231-I234 VanDerWaalsContact O-N 3.09Å; N232-I234 VanDerWaalsContact C-N 3.26Å; N232-I234 PolarHBondContact O-N 3.3Å; I234-G236 VanDerWaalsContact C-N 3.32Å; I234-G236 PolarHBondContact O-N 3.35Å; I234-P237 WeakPolarHBondContact O-CD 3.39Å; I234-F262 HydrophobicContact CB-CE2 4.08Å; I234-F262 HydrophobicContact CG2-CD2 4.12Å; I234-F262 HydrophobicContact CG2-CE2 3.93Å; I234-L265 HydrophobicContact CG2-CD2 3.81Å; I234-M266 HydrophobicContact CD1-SD 3.94Å; I234-M266 HydrophobicContact CG2-SD 4.43Å; I234-F273 HydrophobicContact CD1-CZ 3.91Å; I234-T322 WeakPolarHBondContact CD1-O 3.48Å; I234-L324 HydrophobicContact CG2-CD1 4.3Å; I234-W338 HydrophobicContact CG2-CH2 4.26Å; I234-W338 WeakPolarHBondContact O-CH2 3.15Å; I234-W338 WeakPolarHBondContact O-CZ3 3.33Å
235V98.5Very high95.6Very high0 Ų019.7 Ų19.70%011%0.105CC..Hα-helixtrans-70.5-30.7-178.767.90000112V211 I214 L215 M231 N232 I238 Y239 T258 F262V211-V235 HydrophobicContact CG1-CG1 3.48Å; V211-V235 VanDerWaalsContact CG1-CG1 3.48Å; I214-V235 HydrophobicContact CG2-CG2 3.87Å; L215-V235 HydrophobicContact CD1-CG1 3.98Å; L215-V235 HydrophobicContact CD2-CB 4.34Å; L215-V235 HydrophobicContact CD2-CG1 3.81Å; L215-V235 HydrophobicContact CG-CG1 3.92Å; M231-V235 PolarHBondContact O-N 3.02Å; N232-V235 WeakPolarHBondContact O-CG1 3.46Å; V235-I238 PolarHBondContact O-N 3.17Å; V235-Y239 WeakPolarHBondContact O-CB 3.37Å; V235-Y239 PolarHBondContact O-N 2.6Å; V235-T258 HydrophobicContact CG2-CG2 3.62Å; V235-F262 HydrophobicContact CB-CD2 3.76Å; V235-F262 HydrophobicContact CB-CE2 3.92Å; V235-F262 HydrophobicContact CB-CG 4.2Å; V235-F262 HydrophobicContact CB-CZ 4.48Å; V235-F262 HydrophobicContact CG2-CB 4.34Å; V235-F262 HydrophobicContact CG2-CD2 4.17Å; V235-F262 HydrophobicContact CG2-CG 4.12Å
236G98.2Very high96Very high0 Ų023.2 Ų23.20%013%0.129CC..Hα-helixtrans-53.6-56.2-177.300000114.1N232 I234 I238 Y239 Y240N232-G236 PolarHBondContact O-N 2.85Å; I234-G236 VanDerWaalsContact C-N 3.32Å; I234-G236 PolarHBondContact O-N 3.35Å; G236-I238 VanDerWaalsContact C-N 3.34Å; G236-I238 PolarHBondContact O-N 2.99Å; G236-Y239 PolarHBondContact O-N 2.9Å; G236-Y240 WeakPolarHBondContact O-CB 3.37Å; G236-Y240 PolarHBondContact O-N 3.42Å
237P98.4Very high96.2Very high0 Ų024.2 Ų24.20%013%0.134CC..Hα-helixtrans-64.9-32.6178.9-22.532.7000114.2Y131 E233 I234 T241 L331 V334 I335 W338Y131-P237 HydrophobicContact CE2-CG 4.16Å; Y131-P237 WeakPolarHBondContact OH-CG 3.15Å; E233-P237 WeakPolarHBondContact O-CD 3.24Å; I234-P237 WeakPolarHBondContact O-CD 3.39Å; P237-T241 WeakPolarHBondContact O-CB 3.29Å; P237-T241 PolarHBondContact O-N 3.31Å; P237-T241 PolarHBondContact O-OG1 3.45Å; P237-L331 HydrophobicContact CB-CD1 3.59Å; P237-L331 HydrophobicContact CG-CD1 3.68Å; P237-V334 HydrophobicContact CB-CG1 4.44Å; P237-V334 HydrophobicContact CG-CG1 4.08Å; P237-I335 HydrophobicContact CB-CG1 4.41Å; P237-W338 HydrophobicContact CB-CE3 4.1Å; P237-W338 HydrophobicContact CB-CH2 3.88Å; P237-W338 HydrophobicContact CB-CZ3 3.55Å; P237-W338 HydrophobicContact CG-CH2 3.65Å; P237-W338 HydrophobicContact CG-CZ2 4.34Å; P237-W338 HydrophobicContact CG-CZ3 3.88Å
238I98.7Very high96.2Very high0 Ų026.6 Ų26.60%015%0.153CC..Hα-helixtrans-64-51.7174.1-54.5-179.6000109.4W45 L49 V235 G236 Y240 T241 F242 T258 C261 F262 L265 W338W45-I238 HydrophobicContact CZ3-CG1 4.36Å; L49-I238 HydrophobicContact CD1-CD1 4.29Å; V235-I238 PolarHBondContact O-N 3.17Å; G236-I238 VanDerWaalsContact C-N 3.34Å; G236-I238 PolarHBondContact O-N 2.99Å; I238-Y240 PolarHBondContact O-N 3Å; I238-T241 PolarHBondContact O-N 3.43Å; I238-F242 HydrophobicContact CG2-CD2 4.12Å; I238-F242 HydrophobicContact CG2-CE2 3.56Å; I238-F242 HydrophobicContact CG2-CZ 3.84Å; I238-F242 PolarHBondContact O-N 3.32Å; I238-F242 VanDerWaalsContact O-N 3.15Å; I238-T258 HydrophobicContact CB-CG2 4.25Å; I238-T258 HydrophobicContact CG2-CG2 3.98Å; I238-C261 HydrophobicContact CG2-CB 4.11Å; I238-F262 HydrophobicContact CD1-CB 4.36Å; I238-F262 HydrophobicContact CD1-CD2 4.48Å; I238-L265 HydrophobicContact CD1-CD2 4.04Å; I238-W338 HydrophobicContact CG1-CZ3 3.82Å
239Y98.7Very high96.4Very high5 Ų527.5 Ų27.52%0.0216%0.162CC..Hα-helixtrans-59.5-48.5179.1179.5-113.8000111.8F136 F137 H207 V210 V211 I214 V235 G236 T241 F242 A243 A254 T258F136-Y239 HydrophobicContact CE1-CD1 4.16Å; F136-Y239 HydrophobicContact CE1-CE1 4.04Å; F136-Y239 HydrophobicContact CZ-CE1 4.24Å; F137-Y239 HydrophobicContact CE1-CD1 4.23Å; H207-Y239 HydrophobicContact CB-CE1 3.88Å; H207-Y239 AromaticContact CG-CE1 3.97Å; H207-Y239 AromaticContact ND1-CE1 3.35Å; H207-Y239 VanDerWaalsContact ND1-CE1 3.35Å; H207-Y239 WeakPolarHBondContact ND1-CE1 3.33Å; H207-Y239 AromaticContact ND1-CZ 3.47Å; H207-Y239 PolarHBondContact ND1-OH 3.24Å; V210-Y239 HydrophobicContact CB-CE1 4.42Å; V210-Y239 HydrophobicContact CB-CE2 4.24Å; V210-Y239 HydrophobicContact CG1-CD2 4.38Å; V210-Y239 HydrophobicContact CG1-CE2 3.53Å; V211-Y239 HydrophobicContact CG2-CD1 3.64Å; V211-Y239 HydrophobicContact CG2-CE1 4.22Å; V211-Y239 HydrophobicContact CG2-CG 4.02Å; I214-Y239 HydrophobicContact CD1-CD2 4.18Å; V235-Y239 WeakPolarHBondContact O-CB 3.37Å; V235-Y239 PolarHBondContact O-N 2.6Å; G236-Y239 PolarHBondContact O-N 2.9Å; Y239-T241 VanDerWaalsContact C-N 3.27Å; Y239-T241 PolarHBondContact O-N 3.15Å; Y239-F242 PolarHBondContact O-N 3.44Å; Y239-F242 VanDerWaalsContact O-N 3.13Å; Y239-A243 HydrophobicContact CD1-CB 4.5Å; Y239-A243 HydrophobicContact CD2-CB 4.38Å; Y239-A243 HydrophobicContact CE1-CB 4.1Å; Y239-A243 HydrophobicContact CE2-CB 3.96Å; Y239-A243 VanDerWaalsContact O-CB 3.22Å; Y239-A243 WeakPolarHBondContact O-CB 3.33Å; Y239-A243 PolarHBondContact O-N 3.5Å; Y239-A254 HydrophobicContact CE2-CB 4.31Å; Y239-T258 WeakPolarHBondContact CA-OG1 3.15Å
240Y98.3Very high96.6Very high48 Ų4822.8 Ų22.819%0.18814%0.138CC..Hα-helixtrans-54.1-45.9176.6174-97.1000111.4M134 F136 G236 I238 F242 A243 T244 L331 I335M134-Y240 HydrophobicContact CE-CD2 3.86Å; M134-Y240 HydrophobicContact CE-CE1 4.48Å; M134-Y240 HydrophobicContact CE-CE2 3.16Å; M134-Y240 HydrophobicContact SD-CD2 4.29Å; M134-Y240 HydrophobicContact SD-CE2 4.16Å; F136-Y240 HydrophobicContact CB-CD2 4.48Å; F136-Y240 HydrophobicContact CB-CE2 4.43Å; F136-Y240 AromaticContact CD1-CD2 3.65Å; F136-Y240 HydrophobicContact CD1-CD2 3.65Å; F136-Y240 HydrophobicContact CD1-CE2 4.35Å; F136-Y240 AromaticContact CD2-CD2 4Å; F136-Y240 HydrophobicContact CD2-CD2 4Å; F136-Y240 HydrophobicContact CD2-CE2 4.02Å; F136-Y240 AromaticContact CE1-CD2 3.79Å; F136-Y240 HydrophobicContact CE1-CD2 3.79Å; F136-Y240 HydrophobicContact CE2-CD2 4.14Å; F136-Y240 HydrophobicContact CE2-CE2 4.4Å; F136-Y240 AromaticContact CG-CD2 3.76Å; F136-Y240 HydrophobicContact CG-CD2 3.76Å; F136-Y240 AromaticContact CG-CE2 3.99Å; F136-Y240 HydrophobicContact CG-CE2 3.99Å; F136-Y240 HydrophobicContact CZ-CD2 4.04Å; G236-Y240 WeakPolarHBondContact O-CB 3.37Å; G236-Y240 PolarHBondContact O-N 3.42Å; I238-Y240 PolarHBondContact O-N 3Å; Y240-F242 VanDerWaalsContact C-N 3.3Å; Y240-F242 PolarHBondContact O-N 2.95Å; Y240-A243 PolarHBondContact O-N 2.97Å; Y240-T244 HydrophobicContact CD2-CG2 3.88Å; Y240-T244 HydrophobicContact CE1-CG2 4.5Å; Y240-T244 HydrophobicContact CE2-CG2 3.53Å; Y240-T244 HydrophobicContact CG-CG2 4.48Å; Y240-T244 WeakPolarHBondContact O-CB 3.46Å; Y240-T244 WeakPolarHBondContact O-CG2 3.16Å; Y240-T244 PolarHBondContact O-N 3.46Å; Y240-T244 PolarHBondContact O-OG1 2.8Å; Y240-L331 HydrophobicContact CD1-CD2 3.81Å; Y240-L331 HydrophobicContact CD1-CG 4.46Å; Y240-L331 HydrophobicContact CD2-CD2 4.11Å; Y240-L331 HydrophobicContact CE1-CD2 4.08Å; Y240-L331 HydrophobicContact CE2-CD2 4.4Å; Y240-L331 HydrophobicContact CG-CD2 3.8Å; Y240-I335 HydrophobicContact CD1-CD1 3.68Å; Y240-I335 HydrophobicContact CE1-CD1 3.86Å
241T98.1Very high96.8Very high9 Ų924.9 Ų24.96%0.05515%0.145CC..Hα-helixtrans-62.3-36.2-179.3-61.10000112.4R41 W45 P237 I238 Y239R41-T241 HydrophobicContact CB-CG2 4.33Å; R41-T241 HydrophobicContact CG-CG2 3.89Å; W45-T241 HydrophobicContact CD2-CG2 4.2Å; W45-T241 HydrophobicContact CE3-CG2 3.98Å; W45-T241 HydrophobicContact CZ3-CG2 4.3Å; W45-T241 WeakPolarHBondContact CZ3-OG1 3.4Å; P237-T241 WeakPolarHBondContact O-CB 3.29Å; P237-T241 PolarHBondContact O-N 3.31Å; P237-T241 PolarHBondContact O-OG1 3.45Å; I238-T241 PolarHBondContact O-N 3.43Å; Y239-T241 VanDerWaalsContact C-N 3.27Å; Y239-T241 PolarHBondContact O-N 3.15Å
242F98.4Very high96.9Very high0 Ų030 Ų300%017%0.169CC..Hα-helixtrans-85.6-36.1179.7-60.7-14.1000113S42 W45 K46 I238 Y239 Y240 T244 D245 A254 D257 T258 C261S42-F242 WeakPolarHBondContact O-CE1 3.48Å; W45-F242 HydrophobicContact CB-CE1 3.95Å; W45-F242 HydrophobicContact CB-CZ 4.26Å; K46-F242 HydrophobicContact CG-CE1 3.89Å; K46-F242 HydrophobicContact CG-CE2 4.14Å; K46-F242 HydrophobicContact CG-CZ 3.61Å; I238-F242 HydrophobicContact CG2-CD2 4.12Å; I238-F242 HydrophobicContact CG2-CE2 3.56Å; I238-F242 HydrophobicContact CG2-CZ 3.84Å; I238-F242 PolarHBondContact O-N 3.32Å; I238-F242 VanDerWaalsContact O-N 3.15Å; Y239-F242 PolarHBondContact O-N 3.44Å; Y239-F242 VanDerWaalsContact O-N 3.13Å; Y240-F242 VanDerWaalsContact C-N 3.3Å; Y240-F242 PolarHBondContact O-N 2.95Å; F242-T244 VanDerWaalsContact C-N 3.28Å; F242-T244 PolarHBondContact O-N 3.47Å; F242-D245 VanDerWaalsContact O-CB 3.28Å; F242-D245 WeakPolarHBondContact O-CB 3.29Å; F242-D245 PolarHBondContact O-N 2.65Å; F242-A254 HydrophobicContact CB-CB 3.87Å; F242-D257 HydrophobicContact CD2-CB 4.2Å; F242-D257 HydrophobicContact CE2-CB 4.48Å; F242-T258 WeakPolarHBondContact CD2-OG1 3.3Å; F242-C261 HydrophobicContact CE2-CB 3.95Å; F242-C261 HydrophobicContact CZ-CB 4.23Å
243A97.6Very high96.9Very high13 Ų1332.6 Ų32.611%0.10718%0.181CC..Hα-helixtrans-75.6-17.2-179.900000113.1F136 Y239 Y240 K251 A254F136-A243 HydrophobicContact CZ-CB 3.81Å; Y239-A243 HydrophobicContact CD1-CB 4.5Å; Y239-A243 HydrophobicContact CD2-CB 4.38Å; Y239-A243 HydrophobicContact CE1-CB 4.1Å; Y239-A243 HydrophobicContact CE2-CB 3.96Å; Y239-A243 VanDerWaalsContact O-CB 3.22Å; Y239-A243 WeakPolarHBondContact O-CB 3.33Å; Y239-A243 PolarHBondContact O-N 3.5Å; Y240-A243 PolarHBondContact O-N 2.97Å; A243-K251 WeakPolarHBondContact O-CD 3.36Å; A243-K251 WeakPolarHBondContact O-CG 3.31Å; A243-A254 HydrophobicContact CB-CB 4.03Å
244T96Very high97Very high50 Ų5031.7 Ų31.731%0.30718%0.177SC..THydrogen-bonded Turntrans-98.310.2172.9590000113.8F136 Y240 F242F136-T244 HydrophobicContact CD2-CG2 4.21Å; F136-T244 HydrophobicContact CE2-CG2 3.69Å; F136-T244 HydrophobicContact CZ-CG2 4.3Å; Y240-T244 HydrophobicContact CD2-CG2 3.88Å; Y240-T244 HydrophobicContact CE1-CG2 4.5Å; Y240-T244 HydrophobicContact CE2-CG2 3.53Å; Y240-T244 HydrophobicContact CG-CG2 4.48Å; Y240-T244 WeakPolarHBondContact O-CB 3.46Å; Y240-T244 WeakPolarHBondContact O-CG2 3.16Å; Y240-T244 PolarHBondContact O-N 3.46Å; Y240-T244 PolarHBondContact O-OG1 2.8Å; F242-T244 VanDerWaalsContact C-N 3.28Å; F242-T244 PolarHBondContact O-N 3.47Å
245D96.4Very high97.1Very high8 Ų832.7 Ų32.74%0.04318%0.182CC..  trans-57136.6175.2-165.2-64.7000111S42 F242 S247 W250 K251S42-D245 WeakPolarHBondContact CB-OD2 3.49Å; S42-D245 PolarHBondContact OG-OD2 3.43Å; F242-D245 VanDerWaalsContact O-CB 3.28Å; F242-D245 WeakPolarHBondContact O-CB 3.29Å; F242-D245 PolarHBondContact O-N 2.65Å; D245-S247 PolarHBondContact O-N 3.16Å; D245-S247 VanDerWaalsContact OD1-CB 3.25Å; D245-S247 WeakPolarHBondContact OD1-CB 3.46Å; D245-S247 PolarHBondContact OD1-N 3.04Å; D245-W250 HydrophobicContact CB-CB 4.06Å; D245-K251 HydrophobicContact CB-CG 4.05Å; D245-K251 WeakPolarHBondContact O-CD 3.27Å; D245-K251 WeakPolarHBondContact O-CE 3.09Å; D245-K251 WeakPolarHBondContact O-CG 3.32Å
246P95.3Very high97.1Very high91 Ų9133.1 Ų33.159%0.59119%0.185SC*.SBendtrans-65.3-24.117825.3-33.8000113.1G39G39-P246 VanDerWaalsContact N-CG 3.3Å
247S95.1Very high97.1Very high41 Ų4133.1 Ų33.129%0.28719%0.185SC..  trans-80.5121.6177.2-175.80000111.6D245 S249 W250 K251D245-S247 PolarHBondContact O-N 3.16Å; D245-S247 VanDerWaalsContact OD1-CB 3.25Å; D245-S247 WeakPolarHBondContact OD1-CB 3.46Å; D245-S247 PolarHBondContact OD1-N 3.04Å; S247-S249 VanDerWaalsContact C-N 3.26Å; S247-S249 PolarHBondContact O-N 3.21Å; S247-S249 PolarHBondContact OG-N 3.44Å; S247-S249 PolarHBondContact OG-OG 3.49Å; S247-W250 PolarHBondContact O-N 3.23Å; S247-W250 VanDerWaalsContact O-N 3.12Å; S247-K251 PolarHBondContact O-N 3.15Å
248S95.1Very high97.1Very high66 Ų6633.1 Ų33.146%0.46219%0.185SC..Hα-helixtrans-54.8-40.7173.1168.40000112.5Y143 W250 K251 E252Y143-S248 WeakPolarHBondContact OH-CA 3.5Å; Y143-S248 VanDerWaalsContact OH-CB 3.31Å; Y143-S248 WeakPolarHBondContact OH-CB 3.23Å; Y143-S248 PolarHBondContact OH-OG 3.35Å; S248-W250 VanDerWaalsContact C-N 3.3Å; S248-W250 PolarHBondContact O-N 2.96Å; S248-K251 PolarHBondContact O-N 3.38Å; S248-E252 PolarHBondContact O-N 3.26Å
249S93.9Very high97.1Very high67 Ų6733.3 Ų33.347%0.46919%0.186SC..Hα-helixtrans-66.7-29.1179.563.20000113.5S247 H253S247-S249 VanDerWaalsContact C-N 3.26Å; S247-S249 PolarHBondContact O-N 3.21Å; S247-S249 PolarHBondContact OG-N 3.44Å; S247-S249 PolarHBondContact OG-OG 3.49Å; S249-H253 PolarHBondContact O-CD2 3.35Å
250W95.8Very high97.1Very high50 Ų5034.1 Ų34.119%0.18919%0.19CC..Hα-helixtrans-80.8-39.9175-75.5120.3000111.4L43 K46 L52 L63 R67 D245 S247 S248 E252 H253 A254 D257L43-W250 HydrophobicContact CD1-CZ2 4.35Å; K46-W250 HydrophobicContact CD-CE3 4.28Å; K46-W250 HydrophobicContact CD-CH2 4.29Å; K46-W250 HydrophobicContact CD-CZ3 3.77Å; L52-W250 HydrophobicContact CD1-CH2 4.25Å; L63-W250 HydrophobicContact CD1-CH2 3.57Å; L63-W250 HydrophobicContact CD1-CZ2 4.44Å; L63-W250 HydrophobicContact CD1-CZ3 3.95Å; L63-W250 HydrophobicContact CD2-CH2 4.4Å; L63-W250 HydrophobicContact CD2-CZ3 4.15Å; R67-W250 VanDerWaalsContact NH2-CZ3 3.27Å; D245-W250 HydrophobicContact CB-CB 4.06Å; S247-W250 PolarHBondContact O-N 3.23Å; S247-W250 VanDerWaalsContact O-N 3.12Å; S248-W250 VanDerWaalsContact C-N 3.3Å; S248-W250 PolarHBondContact O-N 2.96Å; W250-E252 PolarHBondContact O-N 2.88Å; W250-H253 CarbonylContact O-C 3.57Å; W250-H253 PolarHBondContact O-N 2.97Å; W250-A254 PolarHBondContact O-N 3.43Å; W250-A254 VanDerWaalsContact O-N 3.17Å; W250-D257 WeakPolarHBondContact CZ3-OD2 3.3Å
251K95.4Very high97.2Very high48 Ų4831.9 Ų31.921%0.20918%0.181CC..Hα-helixtrans-61.6-41.7176.7-73.1-164.4-71.91690113D142 Y143 A243 D245 S247 S248 H253 A254D142-K251 IonicContact OD2-NZ 3.29Å; D142-K251 PolarHBondContact OD2-NZ 3.04Å; Y143-K251 HydrophobicContact CD2-CB 3.96Å; Y143-K251 HydrophobicContact CE2-CB 3.49Å; Y143-K251 VanDerWaalsContact CE2-CB 3.49Å; Y143-K251 HydrophobicContact CE2-CD 4.46Å; A243-K251 WeakPolarHBondContact O-CD 3.36Å; A243-K251 WeakPolarHBondContact O-CG 3.31Å; D245-K251 HydrophobicContact CB-CG 4.05Å; D245-K251 WeakPolarHBondContact O-CD 3.27Å; D245-K251 WeakPolarHBondContact O-CE 3.09Å; D245-K251 WeakPolarHBondContact O-CG 3.32Å; S247-K251 PolarHBondContact O-N 3.15Å; S248-K251 PolarHBondContact O-N 3.38Å; K251-H253 PolarHBondContact O-N 2.82Å; K251-H253 VanDerWaalsContact O-N 3.16Å; K251-A254 VanDerWaalsContact O-CB 3.22Å; K251-A254 WeakPolarHBondContact O-CB 3.49Å; K251-A254 PolarHBondContact O-N 3.29Å
252E96.3Very high97.2Very high109 Ų10931.4 Ų31.451%0.50918%0.178SC..Hα-helixtrans-54.8-34.3178.6-177.6177.1177.800112.4Y143 S248 W250Y143-E252 HydrophobicContact CD1-CB 3.59Å; Y143-E252 HydrophobicContact CD1-CG 3.72Å; Y143-E252 HydrophobicContact CE1-CB 3.72Å; Y143-E252 HydrophobicContact CE1-CG 4.17Å; Y143-E252 HydrophobicContact CG-CB 4.08Å; Y143-E252 HydrophobicContact CG-CG 4.39Å; S248-E252 PolarHBondContact O-N 3.26Å; W250-E252 PolarHBondContact O-N 2.88Å
253H97.7Very high97.2Very high58 Ų5832.9 Ų32.927%0.26919%0.187SC..THydrogen-bonded Turntrans-105.412.3-178.1-59-57.4000113.8R67 S249 W250 K251 E255 A256 D257R67-H253 HydrophobicContact CG-CB 4.42Å; R67-H253 VanDerWaalsContact CZ-CB 3.4Å; R67-H253 VanDerWaalsContact CZ-CG 3.46Å; R67-H253 PolarHBondContact NH1-CD2 3.15Å; S249-H253 PolarHBondContact O-CD2 3.35Å; W250-H253 CarbonylContact O-C 3.57Å; W250-H253 PolarHBondContact O-N 2.97Å; K251-H253 PolarHBondContact O-N 2.82Å; K251-H253 VanDerWaalsContact O-N 3.16Å; H253-E255 PolarHBondContact O-N 2.88Å; H253-A256 PolarHBondContact O-N 2.88Å; H253-D257 WeakPolarHBondContact O-CB 3.34Å; H253-D257 VanDerWaalsContact O-CG 3.29Å; H253-D257 PolarHBondContact O-N 3.49Å
254A98.4Very high97.2Very high2 Ų234.4 Ų34.42%0.01719%0.193CC..Hα-helixtrans-56.4-36.8-176.600000112.4Y239 F242 A243 W250 K251 T258Y239-A254 HydrophobicContact CE2-CB 4.31Å; F242-A254 HydrophobicContact CB-CB 3.87Å; A243-A254 HydrophobicContact CB-CB 4.03Å; W250-A254 PolarHBondContact O-N 3.43Å; W250-A254 VanDerWaalsContact O-N 3.17Å; K251-A254 VanDerWaalsContact O-CB 3.22Å; K251-A254 WeakPolarHBondContact O-CB 3.49Å; K251-A254 PolarHBondContact O-N 3.29Å; A254-T258 WeakPolarHBondContact O-CB 3.03Å; A254-T258 PolarHBondContact O-N 3.23Å; A254-T258 PolarHBondContact O-OG1 2.92Å
255E98.4Very high97.2Very high22 Ų2232.1 Ų32.110%0.10318%0.18CC..Hα-helixtrans-61.9-54.7177.7-178.8-176160.800112.6Y70 V210 R213 I214 H253 T258 F259Y70-E255 HydrophobicContact CE1-CG 3.75Å; Y70-E255 VanDerWaalsContact CE1-OE1 3.31Å; Y70-E255 WeakPolarHBondContact CE1-OE1 3.44Å; Y70-E255 WeakPolarHBondContact OH-CG 3.25Å; Y70-E255 PolarHBondContact OH-OE1 2.98Å; V210-E255 HydrophobicContact CG1-CB 3.69Å; V210-E255 HydrophobicContact CG1-CG 3.55Å; R213-E255 IonicContact CZ-OE1 3.93Å; R213-E255 IonicContact CZ-OE2 2.99Å; R213-E255 IonicContact NE-OE1 2.89Å; R213-E255 PolarHBondContact NE-OE1 3.16Å; R213-E255 IonicContact NE-OE2 2.74Å; R213-E255 VanDerWaalsContact NH2-CD 3.25Å; R213-E255 IonicContact NH2-OE1 2.7Å; R213-E255 PolarHBondContact NH2-OE1 3.43Å; R213-E255 IonicContact NH2-OE2 3.99Å; R213-E255 PolarHBondContact NH2-OE2 3.16Å; I214-E255 HydrophobicContact CD1-CG 3.98Å; I214-E255 HydrophobicContact CG1-CG 3.76Å; H253-E255 PolarHBondContact O-N 2.88Å; E255-T258 WeakPolarHBondContact O-CB 3.44Å; E255-T258 PolarHBondContact O-N 2.8Å; E255-F259 PolarHBondContact O-N 2.98Å
256A98.4Very high97.1Very high8 Ų831.8 Ų31.87%0.06618%0.178CC..Hα-helixtrans-63.4-45.4-17900000111.2R67 Y70 H253 T258 F259 F260R67-A256 HydrophobicContact CG-CB 4.11Å; Y70-A256 HydrophobicContact CD1-CB 3.61Å; Y70-A256 HydrophobicContact CE1-CB 4.33Å; Y70-A256 HydrophobicContact CG-CB 3.78Å; H253-A256 PolarHBondContact O-N 2.88Å; A256-T258 VanDerWaalsContact C-N 3.3Å; A256-T258 PolarHBondContact O-N 2.9Å; A256-F259 WeakPolarHBondContact O-CB 3.45Å; A256-F259 PolarHBondContact O-N 3.12Å; A256-F260 WeakPolarHBondContact O-CD2 3.38Å; A256-F260 PolarHBondContact O-N 2.76Å
257D98.8Very high97Very high0 Ų031.1 Ų31.10%018%0.175CC..Hα-helixtrans-65.1-36.7179.9-63.81.8000110.8K46 Y51 R67 F242 W250 H253 C261K46-D257 VanDerWaalsContact CE-OD2 3.28Å; K46-D257 WeakPolarHBondContact CE-OD2 3.43Å; K46-D257 IonicContact NZ-OD2 3.42Å; Y51-D257 HydrophobicContact CE1-CB 3.88Å; Y51-D257 PolarHBondContact OH-OD1 3.34Å; R67-D257 IonicContact CZ-OD1 3.86Å; R67-D257 IonicContact CZ-OD2 3.88Å; R67-D257 IonicContact NE-OD1 3.78Å; R67-D257 PolarHBondContact NE-OD1 3.22Å; R67-D257 IonicContact NE-OD2 2.65Å; R67-D257 IonicContact NH2-OD1 2.87Å; R67-D257 PolarHBondContact NH2-OD1 3.32Å; R67-D257 IonicContact NH2-OD2 2.72Å; R67-D257 PolarHBondContact NH2-OD2 2.95Å; F242-D257 HydrophobicContact CD2-CB 4.2Å; F242-D257 HydrophobicContact CE2-CB 4.48Å; W250-D257 WeakPolarHBondContact CZ3-OD2 3.3Å; H253-D257 WeakPolarHBondContact O-CB 3.34Å; H253-D257 VanDerWaalsContact O-CG 3.29Å; H253-D257 PolarHBondContact O-N 3.49Å; D257-C261 WeakPolarHBondContact O-CB 3.49Å; D257-C261 PolarHBondContact O-N 2.66Å; D257-C261 VanDerWaalsContact O-N 3.15Å; D257-C261 PolarHBondContact O-SG 2.98Å
258T98.9Very high96.7Very high0 Ų032.7 Ų32.70%018%0.178CC..Hα-helixtrans-62.6-45.8173.2-63.70000111.1I214 V235 I238 Y239 F242 A254 E255 A256 F260 C261 F262I214-T258 HydrophobicContact CD1-CG2 3.79Å; V235-T258 HydrophobicContact CG2-CG2 3.62Å; I238-T258 HydrophobicContact CB-CG2 4.25Å; I238-T258 HydrophobicContact CG2-CG2 3.98Å; Y239-T258 WeakPolarHBondContact CA-OG1 3.15Å; F242-T258 WeakPolarHBondContact CD2-OG1 3.3Å; A254-T258 WeakPolarHBondContact O-CB 3.03Å; A254-T258 PolarHBondContact O-N 3.23Å; A254-T258 PolarHBondContact O-OG1 2.92Å; E255-T258 WeakPolarHBondContact O-CB 3.44Å; E255-T258 PolarHBondContact O-N 2.8Å; A256-T258 VanDerWaalsContact C-N 3.3Å; A256-T258 PolarHBondContact O-N 2.9Å; T258-F260 VanDerWaalsContact C-N 3.32Å; T258-F260 PolarHBondContact O-N 3.33Å; T258-C261 PolarHBondContact O-N 3.27Å; T258-F262 WeakPolarHBondContact O-CB 3.5Å; T258-F262 PolarHBondContact O-N 3.27Å
259F98.8Very high96.2Very high5 Ų529.6 Ų29.62%0.02216%0.156CC..Hα-helixtrans-55.5-46.5-179.3168.8-93.8000112Y70 F73 I214 I217 L221 E255 A256 T263Y70-F259 HydrophobicContact CD2-CB 3.78Å; Y70-F259 AromaticContact CD2-CD1 3.57Å; Y70-F259 HydrophobicContact CD2-CD1 3.57Å; Y70-F259 HydrophobicContact CD2-CD2 4.3Å; Y70-F259 HydrophobicContact CD2-CE1 4.29Å; Y70-F259 AromaticContact CD2-CG 3.6Å; Y70-F259 HydrophobicContact CD2-CG 3.6Å; Y70-F259 HydrophobicContact CE2-CB 3.45Å; Y70-F259 VanDerWaalsContact CE2-CB 3.45Å; Y70-F259 AromaticContact CE2-CD1 3.91Å; Y70-F259 HydrophobicContact CE2-CD1 3.91Å; Y70-F259 AromaticContact CE2-CD2 3.79Å; Y70-F259 HydrophobicContact CE2-CD2 3.79Å; Y70-F259 AromaticContact CE2-CG 3.41Å; Y70-F259 HydrophobicContact CE2-CG 3.41Å; Y70-F259 VanDerWaalsContact CE2-CG 3.41Å; F73-F259 HydrophobicContact CD2-CE1 4.12Å; F73-F259 HydrophobicContact CD2-CZ 4.29Å; F73-F259 AromaticContact CE2-CE1 3.84Å; F73-F259 HydrophobicContact CE2-CE1 3.84Å; F73-F259 HydrophobicContact CE2-CZ 4.16Å; I214-F259 HydrophobicContact CG2-CB 4.12Å; I214-F259 HydrophobicContact CG2-CD2 4.25Å; I217-F259 HydrophobicContact CB-CE2 4.31Å; I217-F259 HydrophobicContact CG2-CD2 4.22Å; I217-F259 HydrophobicContact CG2-CE2 3.66Å; I217-F259 HydrophobicContact CG2-CZ 4.11Å; L221-F259 HydrophobicContact CD1-CE1 4.44Å; L221-F259 HydrophobicContact CD1-CE2 4.15Å; L221-F259 HydrophobicContact CD1-CZ 3.51Å; E255-F259 PolarHBondContact O-N 2.98Å; A256-F259 WeakPolarHBondContact O-CB 3.45Å; A256-F259 PolarHBondContact O-N 3.12Å; F259-T263 VanDerWaalsContact O-CB 3.28Å; F259-T263 WeakPolarHBondContact O-CB 3.41Å; F259-T263 PolarHBondContact O-N 3.17Å; F259-T263 PolarHBondContact O-OG1 3.41Å
260F98.8Very high95.6Very high22 Ų2231.5 Ų31.510%0.09615%0.153CC..Hα-helixtrans-70.9-44.2-179.8-68.8-69.6000112.6Y51 Q66 V69 A256 T258 F262 T263 N264Y51-F260 HydrophobicContact CD2-CB 3.4Å; Y51-F260 VanDerWaalsContact CD2-CB 3.4Å; Y51-F260 HydrophobicContact CD2-CG 4.12Å; Y51-F260 HydrophobicContact CE2-CB 3.44Å; Y51-F260 VanDerWaalsContact CE2-CB 3.44Å; Y51-F260 AromaticContact CE2-CD2 3.68Å; Y51-F260 HydrophobicContact CE2-CD2 3.68Å; Y51-F260 AromaticContact CE2-CG 3.7Å; Y51-F260 HydrophobicContact CE2-CG 3.7Å; Y51-F260 HydrophobicContact CG-CB 4.2Å; Q66-F260 HydrophobicContact CB-CD2 4.12Å; Q66-F260 HydrophobicContact CB-CE2 3.71Å; Q66-F260 HydrophobicContact CB-CZ 4.09Å; Q66-F260 WeakPolarHBondContact O-CE2 3.47Å; Q66-F260 VanDerWaalsContact O-CZ 3.31Å; Q66-F260 WeakPolarHBondContact O-CZ 3.36Å; V69-F260 HydrophobicContact CB-CZ 4.39Å; V69-F260 HydrophobicContact CG1-CZ 4.19Å; A256-F260 WeakPolarHBondContact O-CD2 3.38Å; A256-F260 PolarHBondContact O-N 2.76Å; T258-F260 VanDerWaalsContact C-N 3.32Å; T258-F260 PolarHBondContact O-N 3.33Å; F260-F262 VanDerWaalsContact C-N 3.33Å; F260-F262 PolarHBondContact O-N 3.14Å; F260-T263 PolarHBondContact O-N 3.01Å; F260-N264 VanDerWaalsContact O-CG 3.3Å; F260-N264 PolarHBondContact O-N 3.03Å
261C98.8Very high95Very high0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-58.5-44.9174.8-770000112.1L49 Y51 I238 F242 D257 T258 N264 L265L49-C261 HydrophobicContact CB-CB 4.25Å; L49-C261 HydrophobicContact CD1-CB 3.81Å; Y51-C261 WeakPolarHBondContact CB-SG 3.4Å; I238-C261 HydrophobicContact CG2-CB 4.11Å; F242-C261 HydrophobicContact CE2-CB 3.95Å; F242-C261 HydrophobicContact CZ-CB 4.23Å; D257-C261 WeakPolarHBondContact O-CB 3.49Å; D257-C261 PolarHBondContact O-N 2.66Å; D257-C261 VanDerWaalsContact O-N 3.15Å; D257-C261 PolarHBondContact O-SG 2.98Å; T258-C261 PolarHBondContact O-N 3.27Å; C261-N264 PolarHBondContact O-N 2.89Å; C261-L265 PolarHBondContact O-N 3.23Å
262F98.6Very high94.2Very high0 Ų029.9 Ų29.90%015%0.151CC..Hα-helixtrans-63.4-46.3176175.2-106.3000111.4L215 Y218 M231 I234 V235 I238 T258 F260 N264 L265 M266L215-F262 HydrophobicContact CD2-CE1 4.11Å; L215-F262 HydrophobicContact CD2-CZ 3.95Å; Y218-F262 AromaticContact CD1-CE1 3.92Å; Y218-F262 HydrophobicContact CD1-CE1 3.92Å; Y218-F262 AromaticContact CD2-CD1 3.96Å; Y218-F262 HydrophobicContact CD2-CD1 3.96Å; Y218-F262 AromaticContact CD2-CE1 3.73Å; Y218-F262 HydrophobicContact CD2-CE1 3.73Å; Y218-F262 HydrophobicContact CE1-CE1 4.28Å; Y218-F262 HydrophobicContact CE2-CD1 4.45Å; Y218-F262 HydrophobicContact CE2-CE1 4.1Å; Y218-F262 HydrophobicContact CG-CD1 4.21Å; Y218-F262 AromaticContact CG-CE1 3.64Å; Y218-F262 HydrophobicContact CG-CE1 3.64Å; M231-F262 HydrophobicContact CB-CZ 4.15Å; M231-F262 HydrophobicContact CG-CZ 4.34Å; I234-F262 HydrophobicContact CB-CE2 4.08Å; I234-F262 HydrophobicContact CG2-CD2 4.12Å; I234-F262 HydrophobicContact CG2-CE2 3.93Å; V235-F262 HydrophobicContact CB-CD2 3.76Å; V235-F262 HydrophobicContact CB-CE2 3.92Å; V235-F262 HydrophobicContact CB-CG 4.2Å; V235-F262 HydrophobicContact CB-CZ 4.48Å; V235-F262 HydrophobicContact CG2-CB 4.34Å; V235-F262 HydrophobicContact CG2-CD2 4.17Å; V235-F262 HydrophobicContact CG2-CG 4.12Å; I238-F262 HydrophobicContact CD1-CB 4.36Å; I238-F262 HydrophobicContact CD1-CD2 4.48Å; T258-F262 WeakPolarHBondContact O-CB 3.5Å; T258-F262 PolarHBondContact O-N 3.27Å; F260-F262 VanDerWaalsContact C-N 3.33Å; F260-F262 PolarHBondContact O-N 3.14Å; F262-N264 VanDerWaalsContact C-N 3.32Å; F262-N264 PolarHBondContact O-N 3.23Å; F262-L265 PolarHBondContact O-N 3.04Å; F262-M266 HydrophobicContact CD1-CG 4.22Å; F262-M266 HydrophobicContact CD2-CG 3.89Å; F262-M266 HydrophobicContact CD2-SD 4.5Å; F262-M266 HydrophobicContact CE1-CG 3.84Å; F262-M266 HydrophobicContact CE2-CG 3.47Å; F262-M266 VanDerWaalsContact CE2-CG 3.47Å; F262-M266 HydrophobicContact CE2-SD 3.73Å; F262-M266 HydrophobicContact CG-CG 4.25Å; F262-M266 HydrophobicContact CZ-CE 4.42Å; F262-M266 HydrophobicContact CZ-CG 3.44Å; F262-M266 VanDerWaalsContact CZ-CG 3.44Å; F262-M266 HydrophobicContact CZ-SD 3.96Å; F262-M266 WeakPolarHBondContact O-CB 3.33Å; F262-M266 VanDerWaalsContact O-CG 3.25Å; F262-M266 WeakPolarHBondContact O-CG 3.45Å; F262-M266 PolarHBondContact O-N 3.35Å
263T97.9Very high93.3Very high31 Ų3125.8 Ų25.819%0.1913%0.131CC..Hα-helixtrans-59.5-43.6178.8-61.30000111.6Y218 F259 F260 M266 S267Y218-T263 HydrophobicContact CE2-CG2 4.41Å; F259-T263 VanDerWaalsContact O-CB 3.28Å; F259-T263 WeakPolarHBondContact O-CB 3.41Å; F259-T263 PolarHBondContact O-N 3.17Å; F259-T263 PolarHBondContact O-OG1 3.41Å; F260-T263 PolarHBondContact O-N 3.01Å; T263-M266 PolarHBondContact O-N 3.27Å; T263-S267 WeakPolarHBondContact O-CB 3.37Å; T263-S267 PolarHBondContact O-N 3.41Å
264N97.6Very high92.4Very high44 Ų4424.4 Ų24.424%0.23513%0.125CC..Hα-helixtrans-61.3-49.6175.7-71.9-7.4000111.4L49 N50 F260 C261 F262 M266 S267 E268L49-N264 VanDerWaalsContact O-CB 3.25Å; L49-N264 WeakPolarHBondContact O-CB 3.14Å; L49-N264 PolarHBondContact O-ND2 3.38Å; N50-N264 VanDerWaalsContact C-ND2 3.28Å; N50-N264 PolarHBondContact O-ND2 3Å; F260-N264 VanDerWaalsContact O-CG 3.3Å; F260-N264 PolarHBondContact O-N 3.03Å; C261-N264 PolarHBondContact O-N 2.89Å; F262-N264 VanDerWaalsContact C-N 3.32Å; F262-N264 PolarHBondContact O-N 3.23Å; N264-M266 VanDerWaalsContact C-N 3.33Å; N264-M266 PolarHBondContact O-N 3.21Å; N264-S267 WeakPolarHBondContact O-CB 3.45Å; N264-S267 PolarHBondContact O-N 3.49Å; N264-S267 VanDerWaalsContact O-N 3.15Å; N264-S267 PolarHBondContact O-OG 2.82Å; N264-E268 PolarHBondContact O-N 3.02Å
265L97Very high91.2Very high3 Ų332.8 Ų32.82%0.01616%0.161CC..Hα-helixtrans-58.3-45.5178.6-178.961.6000112L49 I234 I238 C261 F262 S267 E268 N269 L324 F342 F348L49-L265 HydrophobicContact CD2-CB 4.26Å; L49-L265 HydrophobicContact CD2-CD1 4.12Å; I234-L265 HydrophobicContact CG2-CD2 3.81Å; I238-L265 HydrophobicContact CD1-CD2 4.04Å; C261-L265 PolarHBondContact O-N 3.23Å; F262-L265 PolarHBondContact O-N 3.04Å; L265-S267 VanDerWaalsContact C-N 3.31Å; L265-S267 PolarHBondContact O-N 3.43Å; L265-E268 PolarHBondContact O-N 2.93Å; L265-N269 PolarHBondContact O-N 3.28Å; L265-L324 HydrophobicContact CD2-CD1 4.04Å; L265-F342 HydrophobicContact CD1-CE1 4.01Å; L265-F342 HydrophobicContact CD2-CE1 4.05Å; L265-F342 HydrophobicContact CD2-CZ 4.08Å; L265-F348 HydrophobicContact CD1-CE1 4.47Å; L265-F348 HydrophobicContact CD1-CZ 3.95Å
266M94.1Very high89.8Confident1 Ų137 Ų371%0.00519%0.193CC..Hα-helixtrans-68.8-30.1179.6-66.3-57.3-67.900112.4Y218 M231 I234 F262 T263 N264 E268 N269 R270 F273Y218-M266 HydrophobicContact CE2-CB 3.98Å; Y218-M266 HydrophobicContact CE2-CG 4.37Å; Y218-M266 WeakPolarHBondContact OH-CB 3.17Å; M231-M266 HydrophobicContact CE-CE 3.55Å; M231-M266 HydrophobicContact CG-CE 3.84Å; M231-M266 HydrophobicContact SD-CE 4.15Å; I234-M266 HydrophobicContact CD1-SD 3.94Å; I234-M266 HydrophobicContact CG2-SD 4.43Å; F262-M266 HydrophobicContact CD1-CG 4.22Å; F262-M266 HydrophobicContact CD2-CG 3.89Å; F262-M266 HydrophobicContact CD2-SD 4.5Å; F262-M266 HydrophobicContact CE1-CG 3.84Å; F262-M266 HydrophobicContact CE2-CG 3.47Å; F262-M266 VanDerWaalsContact CE2-CG 3.47Å; F262-M266 HydrophobicContact CE2-SD 3.73Å; F262-M266 HydrophobicContact CG-CG 4.25Å; F262-M266 HydrophobicContact CZ-CE 4.42Å; F262-M266 HydrophobicContact CZ-CG 3.44Å; F262-M266 VanDerWaalsContact CZ-CG 3.44Å; F262-M266 HydrophobicContact CZ-SD 3.96Å; F262-M266 WeakPolarHBondContact O-CB 3.33Å; F262-M266 VanDerWaalsContact O-CG 3.25Å; F262-M266 WeakPolarHBondContact O-CG 3.45Å; F262-M266 PolarHBondContact O-N 3.35Å; T263-M266 PolarHBondContact O-N 3.27Å; N264-M266 VanDerWaalsContact C-N 3.33Å; N264-M266 PolarHBondContact O-N 3.21Å; M266-E268 VanDerWaalsContact C-N 3.3Å; M266-E268 PolarHBondContact O-N 2.98Å; M266-N269 CarbonylContact O-C 3.52Å; M266-N269 PolarHBondContact O-N 3.35Å; M266-R270 VanDerWaalsContact O-CA 3.27Å; M266-R270 WeakPolarHBondContact O-CA 3.5Å; M266-R270 WeakPolarHBondContact O-CB 3.31Å; M266-R270 PolarHBondContact O-N 3.36Å; M266-F273 HydrophobicContact CE-CD1 4.36Å; M266-F273 HydrophobicContact CE-CD2 3.69Å; M266-F273 HydrophobicContact CE-CE1 4.1Å; M266-F273 HydrophobicContact CE-CE2 3.38Å; M266-F273 HydrophobicContact CE-CG 4.17Å; M266-F273 HydrophobicContact CE-CZ 3.61Å; M266-F273 HydrophobicContact SD-CE2 4.16Å; M266-F273 HydrophobicContact SD-CZ 4.35Å
267S92.3Very high88.5Confident76 Ų7638.9 Ų38.953%0.53120%0.202SC..Hα-helixtrans-65.1-35.1175.677.70000112.3T263 N264 L265T263-S267 WeakPolarHBondContact O-CB 3.37Å; T263-S267 PolarHBondContact O-N 3.41Å; N264-S267 WeakPolarHBondContact O-CB 3.45Å; N264-S267 PolarHBondContact O-N 3.49Å; N264-S267 VanDerWaalsContact O-N 3.15Å; N264-S267 PolarHBondContact O-OG 2.82Å; L265-S267 VanDerWaalsContact C-N 3.31Å; L265-S267 PolarHBondContact O-N 3.43Å
268E90.5Very high87.6Confident74 Ų7441 Ų4135%0.34621%0.213SC..Hα-helixtrans-76.9-28.8177.2-59.7176.3-151.200112.5N50 N264 L265 M266 R347 F348N50-E268 PolarHBondContact ND2-OE1 3.26Å; N50-E268 VanDerWaalsContact ND2-OE1 3.12Å; N264-E268 PolarHBondContact O-N 3.02Å; L265-E268 PolarHBondContact O-N 2.93Å; M266-E268 VanDerWaalsContact C-N 3.3Å; M266-E268 PolarHBondContact O-N 2.98Å; E268-R347 IonicContact OE1-CZ 3.42Å; E268-R347 IonicContact OE1-NH1 2.67Å; E268-R347 PolarHBondContact OE1-NH1 2.98Å; E268-R347 IonicContact OE2-CZ 3.4Å; E268-R347 IonicContact OE2-NE 3.49Å; E268-R347 IonicContact OE2-NH1 3.36Å; E268-R347 PolarHBondContact OE2-NH1 3.16Å; E268-F348 HydrophobicContact CB-CE2 3.64Å; E268-F348 HydrophobicContact CB-CZ 4.19Å
269N83.1Confident86.4Confident2 Ų248.2 Ų48.21%0.01125%0.252CS..THydrogen-bonded Turntrans-100.89-179.7-155.429.5000113.9L265 M266 D271 N272 F273 F348L265-N269 PolarHBondContact O-N 3.28Å; M266-N269 CarbonylContact O-C 3.52Å; M266-N269 PolarHBondContact O-N 3.35Å; N269-D271 VanDerWaalsContact C-N 3.28Å; N269-D271 PolarHBondContact O-N 2.67Å; N269-N272 PolarHBondContact O-N 3.19Å; N269-N272 PolarHBondContact OD1-ND2 3.09Å; N269-F273 HydrophobicContact CB-CE2 4.31Å; N269-F273 WeakPolarHBondContact O-CD2 3.49Å; N269-F348 HydrophobicContact CB-CE1 3.69Å; N269-F348 HydrophobicContact CB-CE2 4.32Å; N269-F348 HydrophobicContact CB-CZ 3.57Å
270R81.8Confident85.2Confident107 Ų10749.7 Ų49.740%0.40426%0.263SS..G310 helixtrans-55.3-40-167166.8166.2-169.1-162.4-1.1113.5I225 M266 N272 F273 I274I225-R270 HydrophobicContact CD1-CB 4.2Å; I225-R270 HydrophobicContact CD1-CG 3.48Å; I225-R270 VanDerWaalsContact CD1-CG 3.48Å; I225-R270 HydrophobicContact CG1-CG 4.19Å; M266-R270 VanDerWaalsContact O-CA 3.27Å; M266-R270 WeakPolarHBondContact O-CA 3.5Å; M266-R270 WeakPolarHBondContact O-CB 3.31Å; M266-R270 PolarHBondContact O-N 3.36Å; R270-N272 PolarHBondContact O-N 3.33Å; R270-F273 PolarHBondContact O-N 3.2Å; R270-I274 HydrophobicContact CG-CD1 3.7Å; R270-I274 HydrophobicContact CG-CG1 4.27Å
271D82.9Confident83.5Confident57 Ų5757.4 Ų57.431%0.30530%0.299SS..G310 helixtrans-61.2-28.6-173.9-65.5-8.7000112.7N269 F273 I274 L277 C282N269-D271 VanDerWaalsContact C-N 3.28Å; N269-D271 PolarHBondContact O-N 2.67Å; D271-F273 PolarHBondContact O-N 2.92Å; D271-I274 PolarHBondContact O-N 3.31Å; D271-L277 HydrophobicContact CB-CD1 4.07Å; D271-C282 HydrophobicContact CB-CB 4.27Å; D271-C282 WeakPolarHBondContact OD2-CB 3.35Å; D271-C282 PolarHBondContact OD2-SG 3.46Å
272N79.6Confident82Confident7 Ų759.8 Ų59.84%0.03732%0.315CS..G310 helixtrans-71.2-14.5177.7-71.7-19.2000113.9N269 R270 I284 R287N269-N272 PolarHBondContact O-N 3.19Å; N269-N272 PolarHBondContact OD1-ND2 3.09Å; R270-N272 PolarHBondContact O-N 3.33Å; N272-I284 HydrophobicContact CB-CD1 4.45Å; N272-R287 VanDerWaalsContact ND2-CD 3.29Å; N272-R287 WeakPolarHBondContact ND2-CD 3.25Å; N272-R287 PolarHBondContact ND2-NE 2.9Å; N272-R287 VanDerWaalsContact ND2-NE 3.15Å; N272-R287 WeakPolarHBondContact OD1-CD 3.44Å; N272-R287 PolarHBondContact OD1-NE 3.5Å
273F77.9Confident81.1Confident23 Ų2359.8 Ų59.810%0.10132%0.315CS..G310 helixtrans-106.2-3.9-179-62.5-84000112.7I225 V228 M231 I234 M266 N269 R270 D271I225-F273 HydrophobicContact CG2-CB 3.72Å; V228-F273 HydrophobicContact CB-CD1 4.04Å; V228-F273 HydrophobicContact CG1-CD1 4.12Å; V228-F273 HydrophobicContact CG2-CB 4.35Å; V228-F273 HydrophobicContact CG2-CD1 4.34Å; M231-F273 HydrophobicContact CE-CD1 4.16Å; M231-F273 HydrophobicContact CE-CG 4.33Å; M231-F273 HydrophobicContact CG-CE1 4.48Å; I234-F273 HydrophobicContact CD1-CZ 3.91Å; M266-F273 HydrophobicContact CE-CD1 4.36Å; M266-F273 HydrophobicContact CE-CD2 3.69Å; M266-F273 HydrophobicContact CE-CE1 4.1Å; M266-F273 HydrophobicContact CE-CE2 3.38Å; M266-F273 HydrophobicContact CE-CG 4.17Å; M266-F273 HydrophobicContact CE-CZ 3.61Å; M266-F273 HydrophobicContact SD-CE2 4.16Å; M266-F273 HydrophobicContact SD-CZ 4.35Å; N269-F273 HydrophobicContact CB-CE2 4.31Å; N269-F273 WeakPolarHBondContact O-CD2 3.49Å; R270-F273 PolarHBondContact O-N 3.2Å; D271-F273 PolarHBondContact O-N 2.92Å
274I77.9Confident80.5Confident28 Ų2858.4 Ų58.414%0.14431%0.307CS..  trans-95.5105.5178.5-61.4172.3000108.4I225 R270 D271 S276 L277I225-I274 HydrophobicContact CG1-CG1 4.34Å; R270-I274 HydrophobicContact CG-CD1 3.7Å; R270-I274 HydrophobicContact CG-CG1 4.27Å; D271-I274 PolarHBondContact O-N 3.31Å; I274-S276 WeakPolarHBondContact CG2-OG 3.23Å; I274-S276 PolarHBondContact O-N 2.93Å; I274-S276 VanDerWaalsContact O-N 3.08Å; I274-L277 HydrophobicContact CB-CB 4.25Å; I274-L277 HydrophobicContact CB-CD1 3.94Å; I274-L277 HydrophobicContact CB-CG 4.03Å; I274-L277 HydrophobicContact CD1-CD1 3.82Å; I274-L277 HydrophobicContact CG1-CD1 4.45Å; I274-L277 HydrophobicContact CG2-CB 4.32Å; I274-L277 HydrophobicContact CG2-CD1 4.06Å; I274-L277 HydrophobicContact CG2-CG 3.78Å; I274-L277 WeakPolarHBondContact O-CA 3.27Å; I274-L277 WeakPolarHBondContact O-CB 3.5Å; I274-L277 PolarHBondContact O-N 3.38Å
275K73.6Confident79.9Confident179 Ų17958.1 Ų58.178%0.77831%0.307SS*.G310 helixtrans-52.4-35.3-179.3-173175.9-178176.50114.2L277 D278K275-L277 PolarHBondContact O-N 2.72Å; K275-D278 VanDerWaalsContact O-CG 3.29Å; K275-D278 PolarHBondContact O-N 3.27Å
276S69.5Low79.4Confident109 Ų10960.2 Ų60.276%0.76232%0.321SS*.G310 helixtrans-70.4-12.917862.10000113.8I274I274-S276 WeakPolarHBondContact CG2-OG 3.23Å; I274-S276 PolarHBondContact O-N 2.93Å; I274-S276 VanDerWaalsContact O-N 3.08Å
277L71Confident79.1Confident48 Ų4862.6 Ų62.625%0.25133%0.33SS..G310 helixtrans-101-2.6177.5-62.3-178.2000112.6D271 I274 K275 D279 S280 G283D271-L277 HydrophobicContact CB-CD1 4.07Å; I274-L277 HydrophobicContact CB-CB 4.25Å; I274-L277 HydrophobicContact CB-CD1 3.94Å; I274-L277 HydrophobicContact CB-CG 4.03Å; I274-L277 HydrophobicContact CD1-CD1 3.82Å; I274-L277 HydrophobicContact CG1-CD1 4.45Å; I274-L277 HydrophobicContact CG2-CB 4.32Å; I274-L277 HydrophobicContact CG2-CD1 4.06Å; I274-L277 HydrophobicContact CG2-CG 3.78Å; I274-L277 WeakPolarHBondContact O-CA 3.27Å; I274-L277 WeakPolarHBondContact O-CB 3.5Å; I274-L277 PolarHBondContact O-N 3.38Å; K275-L277 PolarHBondContact O-N 2.72Å; L277-D279 VanDerWaalsContact C-N 3.26Å; L277-D279 PolarHBondContact O-N 2.88Å; L277-D279 VanDerWaalsContact O-N 3.15Å; L277-S280 VanDerWaalsContact O-CB 3.22Å; L277-S280 WeakPolarHBondContact O-CB 3.32Å; L277-S280 PolarHBondContact O-N 3.38Å; L277-S280 PolarHBondContact O-OG 2.92Å; L277-G283 WeakPolarHBondContact O-CA 3.45Å
278D78.9Confident79.2Confident46 Ų4659.2 Ų59.225%0.24631%0.306CS..THydrogen-bonded Turntrans-51.6-44.1-174-72.8-11.1000112.5K275 S280 I284 T285K275-D278 VanDerWaalsContact O-CG 3.29Å; K275-D278 PolarHBondContact O-N 3.27Å; D278-S280 VanDerWaalsContact C-N 3.35Å; D278-I284 HydrophobicContact CB-CG2 4.32Å; D278-T285 WeakPolarHBondContact O-CB 3.31Å; D278-T285 PolarHBondContact O-N 3.31Å; D278-T285 PolarHBondContact O-OG1 3.18Å; D278-T285 VanDerWaalsContact O-OG1 3.09Å
279D74.7Confident79.2Confident150 Ų15059.6 Ų59.680%0.80231%0.308SS*.THydrogen-bonded Turntrans-89.15.3-179.4-61.8-40.3000114.2L277L277-D279 VanDerWaalsContact C-N 3.26Å; L277-D279 PolarHBondContact O-N 2.88Å; L277-D279 VanDerWaalsContact O-N 3.15Å
280S72.6Confident79.7Confident37 Ų3761.5 Ų61.526%0.25932%0.321SS..SBendtrans-84168178.280.20000112.4L277 D278 C282 G283 C286L277-S280 VanDerWaalsContact O-CB 3.22Å; L277-S280 WeakPolarHBondContact O-CB 3.32Å; L277-S280 PolarHBondContact O-N 3.38Å; L277-S280 PolarHBondContact O-OG 2.92Å; D278-S280 VanDerWaalsContact C-N 3.35Å; S280-C282 PolarHBondContact O-N 2.88Å; S280-C282 PolarHBondContact OG-N 3.34Å; S280-C282 PolarHBondContact OG-SG 3.46Å; S280-C282 VanDerWaalsContact OG-SG 3.33Å; S280-G283 PolarHBondContact O-N 3.47Å; S280-G283 VanDerWaalsContact O-N 3.1Å; S280-G283 PolarHBondContact OG-N 2.92Å; S280-C286 WeakPolarHBondContact O-CB 3.2Å
281Q64.3Low80.4Confident183 Ų18356.4 Ų56.486%0.85530%0.301SS*.THydrogen-bonded Turntrans-64.7-23177.8-67.7-176.6-4.300113.8C286Q281-C286 WeakPolarHBondContact O-CB 3.28Å; Q281-C286 PolarHBondContact O-SG 2.99Å
282C67.3Low80.9Confident50 Ų5054.5 Ų54.534%0.33829%0.29SS..THydrogen-bonded Turntrans-99.1-4174.859.30000113.4D271 S280D271-C282 HydrophobicContact CB-CB 4.27Å; D271-C282 WeakPolarHBondContact OD2-CB 3.35Å; D271-C282 PolarHBondContact OD2-SG 3.46Å; S280-C282 PolarHBondContact O-N 2.88Å; S280-C282 PolarHBondContact OG-N 3.34Å; S280-C282 PolarHBondContact OG-SG 3.46Å; S280-C282 VanDerWaalsContact OG-SG 3.33Å
283G78.9Confident81.6Confident0 Ų055.7 Ų55.70%030%0.301CS..SBendtrans-75168.9-177.100000114.7L277 S280 T285 C286 R287L277-G283 WeakPolarHBondContact O-CA 3.45Å; S280-G283 PolarHBondContact O-N 3.47Å; S280-G283 VanDerWaalsContact O-N 3.1Å; S280-G283 PolarHBondContact OG-N 2.92Å; G283-T285 VanDerWaalsContact C-N 3.28Å; G283-T285 PolarHBondContact O-N 3.45Å; G283-C286 PolarHBondContact O-N 3.2Å; G283-R287 PolarHBondContact O-N 3.15Å
284I84.6Confident82.4Confident3 Ų356 Ų562%0.01530%0.303CS..Hα-helixtrans-61.3-35.9-178.8-168.657.7000112.2N272 D278 C286 R287 M288 F318 L321 T322N272-I284 HydrophobicContact CB-CD1 4.45Å; D278-I284 HydrophobicContact CB-CG2 4.32Å; I284-C286 PolarHBondContact O-N 3.38Å; I284-R287 PolarHBondContact O-N 3.22Å; I284-M288 HydrophobicContact CD1-CG 4.49Å; I284-M288 HydrophobicContact CG1-CE 4.16Å; I284-M288 HydrophobicContact CG1-CG 4.4Å; I284-M288 HydrophobicContact CG1-SD 4.45Å; I284-M288 HydrophobicContact CG2-CE 4.41Å; I284-M288 VanDerWaalsContact O-CG 3.27Å; I284-M288 WeakPolarHBondContact O-CG 3.4Å; I284-M288 PolarHBondContact O-N 3.2Å; I284-F318 HydrophobicContact CG1-CD2 3.73Å; I284-F318 HydrophobicContact CG1-CE2 3.95Å; I284-F318 HydrophobicContact CG2-CD2 4.43Å; I284-F318 HydrophobicContact CG2-CE2 4.19Å; I284-L321 HydrophobicContact CD1-CB 3.91Å; I284-L321 HydrophobicContact CD1-CD1 4.32Å; I284-T322 HydrophobicContact CD1-CG2 3.71Å; I284-T322 HydrophobicContact CG1-CG2 3.94Å
285T85.7Confident83.3Confident38 Ų3854.7 Ų54.723%0.23330%0.297CS..Hα-helixtrans-61.4-47.2178-58.10000111.1D278 G283 R287 M288 E289D278-T285 WeakPolarHBondContact O-CB 3.31Å; D278-T285 PolarHBondContact O-N 3.31Å; D278-T285 PolarHBondContact O-OG1 3.18Å; D278-T285 VanDerWaalsContact O-OG1 3.09Å; G283-T285 VanDerWaalsContact C-N 3.28Å; G283-T285 PolarHBondContact O-N 3.45Å; T285-R287 VanDerWaalsContact C-N 3.32Å; T285-R287 PolarHBondContact O-N 2.7Å; T285-M288 PolarHBondContact O-N 3.31Å; T285-E289 HydrophobicContact CG2-CG 4.5Å; T285-E289 WeakPolarHBondContact O-CG 3.33Å; T285-E289 PolarHBondContact O-N 3.29Å
286C86.3Confident84.4Confident47 Ų4751.5 Ų51.532%0.31828%0.279SS..Hα-helixtrans-62.8-39178.8-172.80000112.2S280 Q281 G283 I284 E289 S290S280-C286 WeakPolarHBondContact O-CB 3.2Å; Q281-C286 WeakPolarHBondContact O-CB 3.28Å; Q281-C286 PolarHBondContact O-SG 2.99Å; G283-C286 PolarHBondContact O-N 3.2Å; I284-C286 PolarHBondContact O-N 3.38Å; C286-E289 PolarHBondContact O-N 3.48Å; C286-S290 WeakPolarHBondContact O-CB 3.39Å; C286-S290 PolarHBondContact O-N 3.39Å; C286-S290 PolarHBondContact O-OG 3.29Å
287R88.9Confident85.6Confident51 Ų5151.6 Ų51.619%0.19227%0.272CS..Hα-helixtrans-65-41.9176-68-174.1-176.7-104.34.2112.7N272 G283 I284 T285 S290 V291 L321 F348 L352N272-R287 VanDerWaalsContact ND2-CD 3.29Å; N272-R287 WeakPolarHBondContact ND2-CD 3.25Å; N272-R287 PolarHBondContact ND2-NE 2.9Å; N272-R287 VanDerWaalsContact ND2-NE 3.15Å; N272-R287 WeakPolarHBondContact OD1-CD 3.44Å; N272-R287 PolarHBondContact OD1-NE 3.5Å; G283-R287 PolarHBondContact O-N 3.15Å; I284-R287 PolarHBondContact O-N 3.22Å; T285-R287 VanDerWaalsContact C-N 3.32Å; T285-R287 PolarHBondContact O-N 2.7Å; R287-S290 WeakPolarHBondContact O-CB 3.4Å; R287-S290 PolarHBondContact O-N 3.17Å; R287-V291 PolarHBondContact O-N 3.15Å; R287-L321 HydrophobicContact CB-CD1 3.95Å; R287-F348 VanDerWaalsContact NH1-CB 3.25Å; R287-L352 HydrophobicContact CB-CD2 4.18Å
288M92.6Very high86.8Confident4 Ų453.6 Ų53.62%0.0228%0.278CS..Hα-helixtrans-62.9-45.4175.8-69.9-171.5-70.800111.6I284 T285 S290 V291 Y292 P313 Q314 T317 F318 L321I284-M288 HydrophobicContact CD1-CG 4.49Å; I284-M288 HydrophobicContact CG1-CE 4.16Å; I284-M288 HydrophobicContact CG1-CG 4.4Å; I284-M288 HydrophobicContact CG1-SD 4.45Å; I284-M288 HydrophobicContact CG2-CE 4.41Å; I284-M288 VanDerWaalsContact O-CG 3.27Å; I284-M288 WeakPolarHBondContact O-CG 3.4Å; I284-M288 PolarHBondContact O-N 3.2Å; T285-M288 PolarHBondContact O-N 3.31Å; M288-S290 PolarHBondContact O-N 2.67Å; M288-V291 WeakPolarHBondContact O-CB 3.37Å; M288-V291 PolarHBondContact O-N 3.2Å; M288-V291 VanDerWaalsContact O-N 3.14Å; M288-Y292 PolarHBondContact O-N 3.21Å; M288-P313 HydrophobicContact CB-CB 3.96Å; M288-Q314 HydrophobicContact CE-CB 4.38Å; M288-Q314 HydrophobicContact CE-CG 3.68Å; M288-Q314 HydrophobicContact SD-CB 4.33Å; M288-Q314 HydrophobicContact SD-CG 4.14Å; M288-T317 WeakPolarHBondContact CB-OG1 3.29Å; M288-T317 WeakPolarHBondContact CG-OG1 3.44Å; M288-T317 PolarHBondContact SD-OG1 3.14Å; M288-F318 HydrophobicContact CE-CD2 4.3Å; M288-F318 WeakPolarHBondContact SD-CA 3.46Å; M288-F318 HydrophobicContact SD-CB 3.61Å; M288-F318 HydrophobicContact SD-CD2 4.23Å; M288-F318 HydrophobicContact SD-CG 4.44Å; M288-F318 PolarHBondContact SD-N 3.43Å; M288-L321 HydrophobicContact CG-CD1 3.96Å
289E91.8Very high87.6Confident83 Ų8352 Ų5239%0.38827%0.27SS..Hα-helixtrans-63.5-31.6174.9-66.3-57.3149.200112T285 C286 V291 Y292 A293 Q314T285-E289 HydrophobicContact CG2-CG 4.5Å; T285-E289 WeakPolarHBondContact O-CG 3.33Å; T285-E289 PolarHBondContact O-N 3.29Å; C286-E289 PolarHBondContact O-N 3.48Å; E289-V291 VanDerWaalsContact C-N 3.3Å; E289-V291 PolarHBondContact O-N 3.19Å; E289-Y292 PolarHBondContact O-N 3.31Å; E289-Y292 VanDerWaalsContact O-N 3.16Å; E289-A293 WeakPolarHBondContact O-CB 3.27Å; E289-A293 PolarHBondContact O-N 3.25Å; E289-Q314 PolarHBondContact OE1-NE2 3.35Å
290S93.4Very high88.7Confident41 Ų4149.8 Ų49.829%0.28725%0.254SS..Hα-helixtrans-63.7-33.9174.8-60.70000112.4C286 R287 M288 A293 M294C286-S290 WeakPolarHBondContact O-CB 3.39Å; C286-S290 PolarHBondContact O-N 3.39Å; C286-S290 PolarHBondContact O-OG 3.29Å; R287-S290 WeakPolarHBondContact O-CB 3.4Å; R287-S290 PolarHBondContact O-N 3.17Å; M288-S290 PolarHBondContact O-N 2.67Å; S290-A293 PolarHBondContact O-N 3.46Å; S290-M294 WeakPolarHBondContact O-CG 3.33Å; S290-M294 PolarHBondContact O-N 3.27Å
291V95.3Very high89.9Confident0 Ų053.2 Ų53.20%027%0.266CS..Hα-helixtrans-62-44.8172.6179.30000110.5R287 M288 E289 M294 L295 T317 L321 L352 C355 L359R287-V291 PolarHBondContact O-N 3.15Å; M288-V291 WeakPolarHBondContact O-CB 3.37Å; M288-V291 PolarHBondContact O-N 3.2Å; M288-V291 VanDerWaalsContact O-N 3.14Å; E289-V291 VanDerWaalsContact C-N 3.3Å; E289-V291 PolarHBondContact O-N 3.19Å; V291-M294 PolarHBondContact O-N 3.1Å; V291-L295 PolarHBondContact O-N 2.76Å; V291-T317 HydrophobicContact CB-CG2 4.42Å; V291-T317 HydrophobicContact CG1-CG2 4.24Å; V291-L321 HydrophobicContact CG2-CD1 4.36Å; V291-L352 HydrophobicContact CG2-CB 4.28Å; V291-L352 HydrophobicContact CG2-CD2 4Å; V291-C355 HydrophobicContact CG1-CB 4.07Å; V291-C355 HydrophobicContact CG2-CB 4.1Å; V291-L359 HydrophobicContact CG1-CD1 4.05Å
292Y94.1Very high91.5Very high17 Ų1744.5 Ų44.57%0.06723%0.226CC..Hα-helixtrans-68.3-37.5177.1-9641.7000113M288 E289 M294 L295 R296 F303 I311 P313 F316M288-Y292 PolarHBondContact O-N 3.21Å; E289-Y292 PolarHBondContact O-N 3.31Å; E289-Y292 VanDerWaalsContact O-N 3.16Å; Y292-M294 VanDerWaalsContact C-N 3.33Å; Y292-L295 PolarHBondContact O-N 3.02Å; Y292-R296 WeakPolarHBondContact O-CB 3.5Å; Y292-R296 PolarHBondContact O-N 3.09Å; Y292-F303 HydrophobicContact CD2-CD2 4.39Å; Y292-F303 HydrophobicContact CD2-CE2 4.15Å; Y292-I311 PolarHBondContact OH-O 3.07Å; Y292-P313 HydrophobicContact CD1-CB 4.06Å; Y292-P313 HydrophobicContact CD1-CG 3.59Å; Y292-P313 HydrophobicContact CD2-CG 3.74Å; Y292-P313 HydrophobicContact CE1-CB 3.95Å; Y292-P313 HydrophobicContact CE1-CG 3.64Å; Y292-P313 HydrophobicContact CE2-CG 3.82Å; Y292-P313 HydrophobicContact CG-CG 3.63Å; Y292-F316 HydrophobicContact CE1-CE1 4.07Å; Y292-F316 AromaticContact CE1-CZ 3.79Å; Y292-F316 HydrophobicContact CE1-CZ 3.79Å
293A94.7Very high92.9Very high32 Ų3244.6 Ų44.626%0.26422%0.22SC..Hα-helixtrans-60.6-45.3174.900000110.8E289 S290 R296 D297E289-A293 WeakPolarHBondContact O-CB 3.27Å; E289-A293 PolarHBondContact O-N 3.25Å; S290-A293 PolarHBondContact O-N 3.46Å; A293-R296 WeakPolarHBondContact O-CB 3.39Å; A293-R296 PolarHBondContact O-N 3.43Å; A293-D297 PolarHBondContact O-N 2.7Å
294M95.1Very high93.8Very high31 Ų3148.4 Ų48.415%0.15324%0.24CC..Hα-helixtrans-64.8-40.7174.6-68.8-174-62.900112.2S290 V291 Y292 R296 D297 K298 L352 L353 C356S290-M294 WeakPolarHBondContact O-CG 3.33Å; S290-M294 PolarHBondContact O-N 3.27Å; V291-M294 PolarHBondContact O-N 3.1Å; Y292-M294 VanDerWaalsContact C-N 3.33Å; M294-R296 VanDerWaalsContact C-N 3.34Å; M294-R296 PolarHBondContact O-N 3.1Å; M294-D297 PolarHBondContact O-N 2.73Å; M294-K298 WeakPolarHBondContact O-CB 3.49Å; M294-K298 VanDerWaalsContact O-CG 3.28Å; M294-K298 WeakPolarHBondContact O-CG 3.13Å; M294-K298 PolarHBondContact O-N 2.86Å; M294-L352 HydrophobicContact CE-CB 3.29Å; M294-L352 HydrophobicContact CE-CD1 4.43Å; M294-L352 HydrophobicContact CE-CG 4.46Å; M294-L352 WeakPolarHBondContact CE-O 3.41Å; M294-L352 HydrophobicContact SD-CB 4.5Å; M294-L353 HydrophobicContact SD-CD2 3.64Å; M294-L353 HydrophobicContact SD-CG 4.36Å; M294-C356 HydrophobicContact CB-CB 4.47Å; M294-C356 HydrophobicContact CE-CB 4.36Å
295L96.4Very high94.4Very high0 Ų050.3 Ų50.30%025%0.248CC..Hα-helixtrans-59.7-45.6175.5-17770.6000111.1V291 Y292 D297 K298 D299 L302 F303 L306 L359 I360V291-L295 PolarHBondContact O-N 2.76Å; Y292-L295 PolarHBondContact O-N 3.02Å; L295-D297 PolarHBondContact O-N 3.39Å; L295-K298 PolarHBondContact O-N 3.23Å; L295-D299 HydrophobicContact CD1-CB 4.13Å; L295-D299 CarbonylContact O-C 3.53Å; L295-D299 WeakPolarHBondContact O-CA 3.37Å; L295-D299 PolarHBondContact O-N 2.72Å; L295-D299 VanDerWaalsContact O-O 3.13Å; L295-L302 HydrophobicContact CD1-CD2 3.97Å; L295-L302 HydrophobicContact CD1-CG 4.31Å; L295-L302 HydrophobicContact CD2-CG 4.38Å; L295-F303 HydrophobicContact CD2-CB 4.27Å; L295-F303 HydrophobicContact CG-CB 4.25Å; L295-L306 HydrophobicContact CD2-CD1 3.73Å; L295-L359 HydrophobicContact CD1-CB 4.15Å; L295-L359 HydrophobicContact CD1-CD1 4.43Å; L295-L359 HydrophobicContact CD2-CD1 4.11Å; L295-I360 HydrophobicContact CD1-CG1 4.16Å
296R96.5Very high94.9Very high111 Ų11148.5 Ų48.542%0.41924%0.237SC..Hα-helixtrans-56.2-41.1177.3-178.8-170.665.4-154-6.7112Y292 A293 M294 F303Y292-R296 WeakPolarHBondContact O-CB 3.5Å; Y292-R296 PolarHBondContact O-N 3.09Å; A293-R296 WeakPolarHBondContact O-CB 3.39Å; A293-R296 PolarHBondContact O-N 3.43Å; M294-R296 VanDerWaalsContact C-N 3.34Å; M294-R296 PolarHBondContact O-N 3.1Å; R296-F303 HydrophobicContact CB-CB 4.25Å; R296-F303 HydrophobicContact CB-CD1 4Å; R296-F303 HydrophobicContact CB-CD2 3.74Å; R296-F303 HydrophobicContact CB-CE1 4.3Å; R296-F303 HydrophobicContact CB-CE2 4.06Å; R296-F303 HydrophobicContact CB-CG 3.71Å; R296-F303 HydrophobicContact CB-CZ 4.33Å; R296-F303 HydrophobicContact CG-CD1 3.78Å; R296-F303 HydrophobicContact CG-CD2 4.38Å; R296-F303 HydrophobicContact CG-CE1 3.9Å; R296-F303 HydrophobicContact CG-CE2 4.48Å; R296-F303 HydrophobicContact CG-CG 4.04Å; R296-F303 HydrophobicContact CG-CZ 4.25Å
297D95.4Very high95.3Very high112 Ų11248.2 Ų48.260%0.59924%0.242SC*.Hα-helixtrans-79.5-29.9-175.4-61-8.8000111.9A293 M294 L295A293-D297 PolarHBondContact O-N 2.7Å; M294-D297 PolarHBondContact O-N 2.73Å; L295-D297 PolarHBondContact O-N 3.39Å
298K94.8Very high95.7Very high90 Ų9052.8 Ų52.839%0.39127%0.265SS..Hα-helixtrans-96.2-27.9-177.9-61.4-62.5-175.7-169.20114.1M294 L295 I360 L396 N399M294-K298 WeakPolarHBondContact O-CB 3.49Å; M294-K298 VanDerWaalsContact O-CG 3.28Å; M294-K298 WeakPolarHBondContact O-CG 3.13Å; M294-K298 PolarHBondContact O-N 2.86Å; L295-K298 PolarHBondContact O-N 3.23Å; K298-I360 HydrophobicContact CB-CD1 4.14Å; K298-L396 HydrophobicContact CB-CD2 4.29Å; K298-L396 HydrophobicContact CD-CD2 4.03Å; K298-L396 HydrophobicContact CG-CD2 3.96Å; K298-N399 PolarHBondContact NZ-O 2.78Å
299D96.3Very high95.8Very high12 Ų1254 Ų546%0.06427%0.271CS..  trans-153.178.5-176.1-170.1-13.6000111.1L295 E301 L302 F303 I360 R363L295-D299 HydrophobicContact CD1-CB 4.13Å; L295-D299 CarbonylContact O-C 3.53Å; L295-D299 WeakPolarHBondContact O-CA 3.37Å; L295-D299 PolarHBondContact O-N 2.72Å; L295-D299 VanDerWaalsContact O-O 3.13Å; D299-E301 VanDerWaalsContact C-N 3.32Å; D299-E301 PolarHBondContact O-N 2.88Å; D299-L302 HydrophobicContact CB-CB 4.28Å; D299-L302 VanDerWaalsContact CG-CB 3.43Å; D299-L302 PolarHBondContact O-N 3.41Å; D299-L302 WeakPolarHBondContact OD1-CB 3.15Å; D299-L302 PolarHBondContact OD1-N 2.84Å; D299-L302 WeakPolarHBondContact OD2-CB 3.38Å; D299-F303 PolarHBondContact O-N 3Å; D299-F303 VanDerWaalsContact O-N 3.09Å; D299-I360 HydrophobicContact CB-CG1 4.29Å; D299-R363 VanDerWaalsContact CG-NE 3.25Å; D299-R363 IonicContact OD1-CZ 2.94Å; D299-R363 IonicContact OD1-NE 3.32Å; D299-R363 PolarHBondContact OD1-NE 2.78Å; D299-R363 VanDerWaalsContact OD1-NE 3.16Å; D299-R363 IonicContact OD1-NH2 3.4Å; D299-R363 PolarHBondContact OD1-NH2 3.34Å; D299-R363 VanDerWaalsContact OD2-CD 3.29Å; D299-R363 WeakPolarHBondContact OD2-CD 3.42Å; D299-R363 IonicContact OD2-CZ 2.64Å; D299-R363 IonicContact OD2-NE 2.8Å; D299-R363 PolarHBondContact OD2-NE 3.19Å; D299-R363 IonicContact OD2-NH2 3.34Å
300H96.9Very high96Very high104 Ų10455.8 Ų55.848%0.48128%0.283SS..Hα-helixtrans-63-36.1-174.2-166.966.8000113.6F303 L304H300-F303 WeakPolarHBondContact O-CB 3.5Å; H300-F303 PolarHBondContact O-N 3.05Å; H300-L304 WeakPolarHBondContact O-CG 3.13Å; H300-L304 PolarHBondContact O-N 2.82Å
301E98.1Very high96.1Very high109 Ų10954 Ų5451%0.50927%0.271SS..Hα-helixtrans-65.4-45.6-179.9-177.2-175.1-162.600111.3D299 F303 L304 K305 R363 L367D299-E301 VanDerWaalsContact C-N 3.32Å; D299-E301 PolarHBondContact O-N 2.88Å; E301-F303 VanDerWaalsContact C-N 3.33Å; E301-F303 PolarHBondContact O-N 3.21Å; E301-L304 PolarHBondContact O-N 3.14Å; E301-K305 PolarHBondContact O-N 3.35Å; E301-R363 IonicContact OE2-CZ 3.61Å; E301-R363 IonicContact OE2-NH1 2.7Å; E301-R363 PolarHBondContact OE2-NH1 3.27Å; E301-R363 IonicContact OE2-NH2 3.76Å; E301-R363 PolarHBondContact OE2-NH2 3.41Å; E301-L367 HydrophobicContact CG-CD1 4.49Å; E301-L367 HydrophobicContact CG-CD2 4.04Å
302L97.6Very high95.9Very high0 Ų059.1 Ų59.10%029%0.293CS..Hα-helixtrans-64.9-40.1176.3-17955.3000111.4L295 D299 L304 K305 L306 L359 R363 L366 L367L295-L302 HydrophobicContact CD1-CD2 3.97Å; L295-L302 HydrophobicContact CD1-CG 4.31Å; L295-L302 HydrophobicContact CD2-CG 4.38Å; D299-L302 HydrophobicContact CB-CB 4.28Å; D299-L302 VanDerWaalsContact CG-CB 3.43Å; D299-L302 PolarHBondContact O-N 3.41Å; D299-L302 WeakPolarHBondContact OD1-CB 3.15Å; D299-L302 PolarHBondContact OD1-N 2.84Å; D299-L302 WeakPolarHBondContact OD2-CB 3.38Å; L302-L304 PolarHBondContact O-N 3.05Å; L302-K305 PolarHBondContact O-N 3.48Å; L302-L306 HydrophobicContact CD1-CG 4.36Å; L302-L306 WeakPolarHBondContact O-CG 3.32Å; L302-L306 PolarHBondContact O-N 3.15Å; L302-L359 HydrophobicContact CD2-CB 4.49Å; L302-R363 HydrophobicContact CD2-CB 4.11Å; L302-R363 HydrophobicContact CD2-CG 4.25Å; L302-L366 HydrophobicContact CD1-CB 3.55Å; L302-L366 HydrophobicContact CD1-CD1 3.88Å; L302-L366 HydrophobicContact CD1-CG 4.38Å; L302-L366 HydrophobicContact CD2-CD1 4.21Å; L302-L367 HydrophobicContact CB-CD2 4.47Å; L302-L367 HydrophobicContact CD1-CD2 4.2Å; L302-L367 HydrophobicContact CD1-CG 4.44Å
303F97.6Very high95.7Very high52 Ų5258.6 Ų58.623%0.22829%0.291CS..Hα-helixtrans-57-47.6173.5168.7-97.3000112.3Y292 L295 R296 D299 H300 E301 K305 L306 G307Y292-F303 HydrophobicContact CD2-CD2 4.39Å; Y292-F303 HydrophobicContact CD2-CE2 4.15Å; L295-F303 HydrophobicContact CD2-CB 4.27Å; L295-F303 HydrophobicContact CG-CB 4.25Å; R296-F303 HydrophobicContact CB-CB 4.25Å; R296-F303 HydrophobicContact CB-CD1 4Å; R296-F303 HydrophobicContact CB-CD2 3.74Å; R296-F303 HydrophobicContact CB-CE1 4.3Å; R296-F303 HydrophobicContact CB-CE2 4.06Å; R296-F303 HydrophobicContact CB-CG 3.71Å; R296-F303 HydrophobicContact CB-CZ 4.33Å; R296-F303 HydrophobicContact CG-CD1 3.78Å; R296-F303 HydrophobicContact CG-CD2 4.38Å; R296-F303 HydrophobicContact CG-CE1 3.9Å; R296-F303 HydrophobicContact CG-CE2 4.48Å; R296-F303 HydrophobicContact CG-CG 4.04Å; R296-F303 HydrophobicContact CG-CZ 4.25Å; D299-F303 PolarHBondContact O-N 3Å; D299-F303 VanDerWaalsContact O-N 3.09Å; H300-F303 WeakPolarHBondContact O-CB 3.5Å; H300-F303 PolarHBondContact O-N 3.05Å; E301-F303 VanDerWaalsContact C-N 3.33Å; E301-F303 PolarHBondContact O-N 3.21Å; F303-K305 PolarHBondContact O-N 3.38Å; F303-L306 PolarHBondContact O-N 2.68Å; F303-G307 PolarHBondContact O-N 3.45Å
304L97.4Very high95.4Very high79 Ų7960.3 Ų60.341%0.41429%0.294SS..Hα-helixtrans-61.5-44.4177.7-71.4176.9000111.5H300 E301 L302 L306 G307 E308H300-L304 WeakPolarHBondContact O-CG 3.13Å; H300-L304 PolarHBondContact O-N 2.82Å; E301-L304 PolarHBondContact O-N 3.14Å; L302-L304 PolarHBondContact O-N 3.05Å; L304-L306 PolarHBondContact O-N 3.49Å; L304-G307 CarbonylContact O-C 3.21Å; L304-G307 WeakPolarHBondContact O-CA 3.28Å; L304-G307 PolarHBondContact O-N 2.88Å; L304-G307 VanDerWaalsContact O-N 3.11Å; L304-E308 WeakPolarHBondContact O-CG 3.45Å; L304-E308 PolarHBondContact O-N 3.09Å
305K96.9Very high95.3Very high44 Ų4464 Ų6419%0.19131%0.307CS..Hα-helixtrans-57.4-46.7177.8176.871.6179.8-163.30112.7E301 L302 F303 G307 E308 Q309 L366 L367 G369E301-K305 PolarHBondContact O-N 3.35Å; L302-K305 PolarHBondContact O-N 3.48Å; F303-K305 PolarHBondContact O-N 3.38Å; K305-G307 VanDerWaalsContact C-N 3.29Å; K305-G307 PolarHBondContact O-N 2.87Å; K305-E308 PolarHBondContact O-N 3.29Å; K305-Q309 WeakPolarHBondContact O-CG 3.47Å; K305-Q309 PolarHBondContact O-N 2.7Å; K305-L366 WeakPolarHBondContact CE-O 3.42Å; K305-L367 HydrophobicContact CB-CD2 3.83Å; K305-L367 WeakPolarHBondContact CE-O 3.38Å; K305-L367 HydrophobicContact CG-CD2 4.09Å; K305-L367 PolarHBondContact NZ-O 2.83Å; K305-G369 VanDerWaalsContact CE-O 3.28Å; K305-G369 WeakPolarHBondContact CE-O 3.42Å; K305-G369 PolarHBondContact NZ-O 3.42Å
306L96.3Very high95.1Very high0 Ų064.1 Ų64.10%031%0.307CS..Hα-helixtrans-64.8-37.2177.2-65-178.7000111.3L295 L302 F303 L304 Q309 N310 I311L295-L306 HydrophobicContact CD2-CD1 3.73Å; L302-L306 HydrophobicContact CD1-CG 4.36Å; L302-L306 WeakPolarHBondContact O-CG 3.32Å; L302-L306 PolarHBondContact O-N 3.15Å; F303-L306 PolarHBondContact O-N 2.68Å; L304-L306 PolarHBondContact O-N 3.49Å; L306-Q309 PolarHBondContact O-N 2.88Å; L306-N310 PolarHBondContact O-N 2.57Å; L306-I311 HydrophobicContact CB-CB 4.49Å; L306-I311 HydrophobicContact CD2-CB 4.42Å; L306-I311 HydrophobicContact CD2-CD1 3.88Å; L306-I311 PolarHBondContact O-N 2.86Å
307G95.3Very high94.9Very high40 Ų4058.8 Ų58.841%0.41229%0.287SS..Hα-helixtrans-63.2-46.5174.500000113.5F303 L304 K305 Q309 N310F303-G307 PolarHBondContact O-N 3.45Å; L304-G307 CarbonylContact O-C 3.21Å; L304-G307 WeakPolarHBondContact O-CA 3.28Å; L304-G307 PolarHBondContact O-N 2.88Å; L304-G307 VanDerWaalsContact O-N 3.11Å; K305-G307 VanDerWaalsContact C-N 3.29Å; K305-G307 PolarHBondContact O-N 2.87Å; G307-Q309 PolarHBondContact O-N 3.04Å; G307-N310 PolarHBondContact O-N 3.23Å
308E96.5Very high94.7Very high147 Ų14758.2 Ų58.269%0.68728%0.28SS*.Hα-helixtrans-58.3-37176.6-74.8176.3177.700112.2L304 K305 N310L304-E308 WeakPolarHBondContact O-CG 3.45Å; L304-E308 PolarHBondContact O-N 3.09Å; K305-E308 PolarHBondContact O-N 3.29Å; E308-N310 VanDerWaalsContact C-N 3.26Å; E308-N310 PolarHBondContact O-N 2.65Å
309Q96Very high94.6Very high31 Ų3156.8 Ų56.815%0.14527%0.272CS..THydrogen-bonded Turntrans-81.8-1.5177.4-66.8-176.5-17.900113.6K305 L306 G307 I311 G369 D370 F371 N374K305-Q309 WeakPolarHBondContact O-CG 3.47Å; K305-Q309 PolarHBondContact O-N 2.7Å; L306-Q309 PolarHBondContact O-N 2.88Å; G307-Q309 PolarHBondContact O-N 3.04Å; Q309-I311 HydrophobicContact CB-CD1 4.1Å; Q309-I311 HydrophobicContact CB-CG1 3.94Å; Q309-I311 PolarHBondContact O-N 3.32Å; Q309-I311 VanDerWaalsContact OE1-CD1 3.28Å; Q309-G369 PolarHBondContact NE2-O 3.36Å; Q309-D370 VanDerWaalsContact NE2-C 3.3Å; Q309-D370 VanDerWaalsContact NE2-CA 3.31Å; Q309-F371 HydrophobicContact CB-CB 4.49Å; Q309-F371 HydrophobicContact CB-CD2 4.45Å; Q309-F371 VanDerWaalsContact O-CD2 3.29Å; Q309-F371 WeakPolarHBondContact O-CD2 3.27Å; Q309-N374 PolarHBondContact OE1-ND2 3.49Å
310N95.1Very high94.6Very high119 Ų11956.2 Ų56.264%0.63627%0.269SS*.THydrogen-bonded Turntrans54.431.8-173.4-61.2-78.9000113.3L306 G307 E308 K312L306-N310 PolarHBondContact O-N 2.57Å; G307-N310 PolarHBondContact O-N 3.23Å; E308-N310 VanDerWaalsContact C-N 3.26Å; E308-N310 PolarHBondContact O-N 2.65Å; N310-K312 PolarHBondContact O-N 3Å
311I95.1Very high94.5Very high4 Ų451.4 Ų51.42%0.02125%0.246CC..  trans-75.3112.3172.1-63.7176.3000106.8Y292 L306 Q309 F316 F371 N374 L378Y292-I311 PolarHBondContact OH-O 3.07Å; L306-I311 HydrophobicContact CB-CB 4.49Å; L306-I311 HydrophobicContact CD2-CB 4.42Å; L306-I311 HydrophobicContact CD2-CD1 3.88Å; L306-I311 PolarHBondContact O-N 2.86Å; Q309-I311 HydrophobicContact CB-CD1 4.1Å; Q309-I311 HydrophobicContact CB-CG1 3.94Å; Q309-I311 PolarHBondContact O-N 3.32Å; Q309-I311 VanDerWaalsContact OE1-CD1 3.28Å; I311-F316 HydrophobicContact CG2-CD1 4.43Å; I311-F316 HydrophobicContact CG2-CE1 4.08Å; I311-F371 HydrophobicContact CD1-CD2 4.3Å; I311-F371 HydrophobicContact CG1-CD2 3.63Å; I311-F371 HydrophobicContact CG1-CE2 3.87Å; I311-N374 HydrophobicContact CD1-CB 3.64Å; I311-L378 HydrophobicContact CG2-CD1 3.96Å
312K91.6Very high94.1Very high108 Ų10846.6 Ų46.647%0.4723%0.225SC..  trans-92147.3178.9-58.1-173.2176.4-178.30110.7N310 Q314 Y315N310-K312 PolarHBondContact O-N 3Å; K312-Q314 PolarHBondContact O-N 3.4Å; K312-Q314 VanDerWaalsContact O-N 3.16Å; K312-Y315 HydrophobicContact CB-CD2 4.25Å; K312-Y315 HydrophobicContact CB-CE2 3.99Å; K312-Y315 HydrophobicContact CG-CE2 4.17Å; K312-Y315 PolarHBondContact O-N 3.5Å
313P90Very high94Very high5 Ų547.2 Ų47.23%0.03223%0.228CC..G310 helixtrans-52.7-40.5178.2-20.226.2000112.3M288 Y292 Y315 F316 T317M288-P313 HydrophobicContact CB-CB 3.96Å; Y292-P313 HydrophobicContact CD1-CB 4.06Å; Y292-P313 HydrophobicContact CD1-CG 3.59Å; Y292-P313 HydrophobicContact CD2-CG 3.74Å; Y292-P313 HydrophobicContact CE1-CB 3.95Å; Y292-P313 HydrophobicContact CE1-CG 3.64Å; Y292-P313 HydrophobicContact CE2-CG 3.82Å; Y292-P313 HydrophobicContact CG-CG 3.63Å; P313-Y315 PolarHBondContact O-N 3.28Å; P313-F316 PolarHBondContact O-N 2.87Å; P313-T317 HydrophobicContact CB-CG2 4.31Å; P313-T317 WeakPolarHBondContact CB-OG1 3.44Å; P313-T317 PolarHBondContact O-N 2.82Å; P313-T317 PolarHBondContact O-OG1 2.99Å
314Q89.6Confident93.9Very high68 Ų6844.9 Ų44.932%0.31822%0.218SC..G310 helixtrans-56.2-23.7-174.4-56.59224.500114M288 E289 K312 F316M288-Q314 HydrophobicContact CE-CB 4.38Å; M288-Q314 HydrophobicContact CE-CG 3.68Å; M288-Q314 HydrophobicContact SD-CB 4.33Å; M288-Q314 HydrophobicContact SD-CG 4.14Å; E289-Q314 PolarHBondContact OE1-NE2 3.35Å; K312-Q314 PolarHBondContact O-N 3.4Å; K312-Q314 VanDerWaalsContact O-N 3.16Å; Q314-F316 VanDerWaalsContact C-N 3.3Å; Q314-F316 PolarHBondContact O-N 3.35Å
315Y91.3Very high93.9Very high109 Ų10941.2 Ų41.243%0.42720%0.199SC..G310 helixtrans-73.7-18-178.7-56.8-25.3000114.2K312 P313 M375 Q379K312-Y315 HydrophobicContact CB-CD2 4.25Å; K312-Y315 HydrophobicContact CB-CE2 3.99Å; K312-Y315 HydrophobicContact CG-CE2 4.17Å; K312-Y315 PolarHBondContact O-N 3.5Å; P313-Y315 PolarHBondContact O-N 3.28Å; Y315-M375 HydrophobicContact CD2-SD 4.07Å; Y315-M375 HydrophobicContact CG-SD 4.31Å; Y315-Q379 PolarHBondContact O-NE2 3.14Å
316F92.8Very high93.8Very high2 Ų239.2 Ų39.21%0.00919%0.19CC..THydrogen-bonded Turntrans-140.4-42.8-178.867.3-83.4000113.3Y292 I311 P313 Q314 F318 R319 W320 L359 M375 L378Y292-F316 HydrophobicContact CE1-CE1 4.07Å; Y292-F316 AromaticContact CE1-CZ 3.79Å; Y292-F316 HydrophobicContact CE1-CZ 3.79Å; I311-F316 HydrophobicContact CG2-CD1 4.43Å; I311-F316 HydrophobicContact CG2-CE1 4.08Å; P313-F316 PolarHBondContact O-N 2.87Å; Q314-F316 VanDerWaalsContact C-N 3.3Å; Q314-F316 PolarHBondContact O-N 3.35Å; F316-F318 VanDerWaalsContact C-N 3.25Å; F316-F318 PolarHBondContact O-N 3.06Å; F316-R319 PolarHBondContact O-N 3.29Å; F316-W320 AromaticContact CD2-CD2 4Å; F316-W320 HydrophobicContact CD2-CD2 4Å; F316-W320 AromaticContact CD2-CE2 3.95Å; F316-W320 AromaticContact CD2-CE3 3.84Å; F316-W320 HydrophobicContact CD2-CE3 3.84Å; F316-W320 AromaticContact CD2-CH2 3.66Å; F316-W320 HydrophobicContact CD2-CH2 3.66Å; F316-W320 AromaticContact CD2-CZ2 3.81Å; F316-W320 HydrophobicContact CD2-CZ2 3.81Å; F316-W320 AromaticContact CD2-CZ3 3.68Å; F316-W320 HydrophobicContact CD2-CZ3 3.68Å; F316-W320 HydrophobicContact CE2-CE3 4.08Å; F316-W320 AromaticContact CE2-CH2 3.86Å; F316-W320 HydrophobicContact CE2-CH2 3.86Å; F316-W320 HydrophobicContact CE2-CZ2 4.47Å; F316-W320 AromaticContact CE2-CZ3 3.64Å; F316-W320 HydrophobicContact CE2-CZ3 3.64Å; F316-W320 VanDerWaalsContact O-CD1 3.3Å; F316-W320 PolarHBondContact O-N 3.45Å; F316-L359 HydrophobicContact CE2-CD1 4.28Å; F316-L359 HydrophobicContact CE2-CD2 3.79Å; F316-L359 HydrophobicContact CE2-CG 4.42Å; F316-L359 HydrophobicContact CZ-CD1 4.3Å; F316-L359 HydrophobicContact CZ-CD2 3.96Å; F316-M375 HydrophobicContact CB-CE 3.97Å; F316-M375 HydrophobicContact CD1-CE 4.3Å; F316-L378 HydrophobicContact CB-CB 4.01Å; F316-L378 HydrophobicContact CD1-CB 4.35Å; F316-L378 HydrophobicContact CD1-CD1 3.9Å; F316-L378 HydrophobicContact CD2-CB 4.3Å; F316-L378 HydrophobicContact CD2-CD2 4.17Å; F316-L378 HydrophobicContact CE1-CD1 3.85Å; F316-L378 HydrophobicContact CE2-CD2 4.03Å; F316-L378 HydrophobicContact CG-CB 3.98Å; F316-L378 HydrophobicContact CG-CD1 4.3Å; F316-L378 HydrophobicContact CZ-CD1 4.19Å; F316-L378 HydrophobicContact CZ-CD2 4.26Å
317T92.9Very high93.7Very high0 Ų043.3 Ų43.30%021%0.209CC..Hα-helixtrans-68.3-24.9-176.260.30000112.9M288 V291 P313 R319 W320 L321M288-T317 WeakPolarHBondContact CB-OG1 3.29Å; M288-T317 WeakPolarHBondContact CG-OG1 3.44Å; M288-T317 PolarHBondContact SD-OG1 3.14Å; V291-T317 HydrophobicContact CB-CG2 4.42Å; V291-T317 HydrophobicContact CG1-CG2 4.24Å; P313-T317 HydrophobicContact CB-CG2 4.31Å; P313-T317 WeakPolarHBondContact CB-OG1 3.44Å; P313-T317 PolarHBondContact O-N 2.82Å; P313-T317 PolarHBondContact O-OG1 2.99Å; T317-R319 VanDerWaalsContact C-N 3.34Å; T317-R319 PolarHBondContact O-N 3.07Å; T317-W320 HydrophobicContact CG2-CE3 4.45Å; T317-W320 PolarHBondContact O-N 2.97Å; T317-L321 WeakPolarHBondContact O-CB 3.4Å; T317-L321 VanDerWaalsContact O-CG 3.24Å; T317-L321 WeakPolarHBondContact O-CG 3.46Å; T317-L321 PolarHBondContact O-N 3.44Å
318F90.9Very high93.6Very high99 Ų9942.5 Ų42.543%0.43420%0.195SC..Hα-helixtrans-55.5-51.9177.3178.3-96.3000110.7I284 M288 F316 L321 T322I284-F318 HydrophobicContact CG1-CD2 3.73Å; I284-F318 HydrophobicContact CG1-CE2 3.95Å; I284-F318 HydrophobicContact CG2-CD2 4.43Å; I284-F318 HydrophobicContact CG2-CE2 4.19Å; M288-F318 HydrophobicContact CE-CD2 4.3Å; M288-F318 WeakPolarHBondContact SD-CA 3.46Å; M288-F318 HydrophobicContact SD-CB 3.61Å; M288-F318 HydrophobicContact SD-CD2 4.23Å; M288-F318 HydrophobicContact SD-CG 4.44Å; M288-F318 PolarHBondContact SD-N 3.43Å; F316-F318 VanDerWaalsContact C-N 3.25Å; F316-F318 PolarHBondContact O-N 3.06Å; F318-L321 PolarHBondContact O-N 3.07Å; F318-T322 HydrophobicContact CD2-CG2 4.19Å; F318-T322 HydrophobicContact CE1-CG2 4.28Å; F318-T322 HydrophobicContact CE2-CG2 3.87Å; F318-T322 HydrophobicContact CZ-CG2 3.92Å; F318-T322 WeakPolarHBondContact O-CB 3.22Å; F318-T322 VanDerWaalsContact O-CG2 3.31Å; F318-T322 WeakPolarHBondContact O-CG2 3.31Å; F318-T322 PolarHBondContact O-N 3.15Å; F318-T322 PolarHBondContact O-OG1 2.92Å
319R92.1Very high93.5Very high60 Ų6036.3 Ų36.323%0.22617%0.166CC..Hα-helixtrans-67-43.6179.7-17417462.2101.84.3111.5F316 T317 L321 L323 Q327 E328 Q379F316-R319 PolarHBondContact O-N 3.29Å; T317-R319 VanDerWaalsContact C-N 3.34Å; T317-R319 PolarHBondContact O-N 3.07Å; R319-L321 VanDerWaalsContact C-N 3.28Å; R319-L321 PolarHBondContact O-N 3.08Å; R319-L323 HydrophobicContact CG-CD1 3.63Å; R319-L323 HydrophobicContact CG-CG 4.22Å; R319-L323 VanDerWaalsContact O-CB 3.31Å; R319-L323 WeakPolarHBondContact O-CB 3.31Å; R319-L323 WeakPolarHBondContact O-CG 3.39Å; R319-L323 PolarHBondContact O-N 3.34Å; R319-Q327 PolarHBondContact NH1-O 2.62Å; R319-Q327 VanDerWaalsContact NH1-O 3.11Å; R319-E328 IonicContact CZ-OE1 3.49Å; R319-E328 IonicContact CZ-OE2 2.7Å; R319-E328 IonicContact NE-OE1 2.81Å; R319-E328 PolarHBondContact NE-OE1 2.99Å; R319-E328 IonicContact NH1-OE1 2.64Å; R319-E328 PolarHBondContact NH1-OE1 3.35Å; R319-E328 IonicContact NH1-OE2 3.68Å; R319-E328 PolarHBondContact NH1-OE2 3.06Å; R319-E328 IonicContact NH2-OE1 3.96Å; R319-E328 PolarHBondContact NH2-OE1 3.48Å; R319-E328 IonicContact NH2-OE2 2.68Å; R319-E328 PolarHBondContact NH2-OE2 2.89Å; R319-Q379 PolarHBondContact NH2-O 2.89Å
320W95.8Very high93.4Very high0 Ų040.8 Ų40.80%019%0.19CC..Hα-helixtrans-55.5-43.9178.7-68.87000112.3F316 T317 L324 L325 E328 C355 M358 L359 L378 Y381F316-W320 AromaticContact CD2-CD2 4Å; F316-W320 HydrophobicContact CD2-CD2 4Å; F316-W320 AromaticContact CD2-CE2 3.95Å; F316-W320 AromaticContact CD2-CE3 3.84Å; F316-W320 HydrophobicContact CD2-CE3 3.84Å; F316-W320 AromaticContact CD2-CH2 3.66Å; F316-W320 HydrophobicContact CD2-CH2 3.66Å; F316-W320 AromaticContact CD2-CZ2 3.81Å; F316-W320 HydrophobicContact CD2-CZ2 3.81Å; F316-W320 AromaticContact CD2-CZ3 3.68Å; F316-W320 HydrophobicContact CD2-CZ3 3.68Å; F316-W320 HydrophobicContact CE2-CE3 4.08Å; F316-W320 AromaticContact CE2-CH2 3.86Å; F316-W320 HydrophobicContact CE2-CH2 3.86Å; F316-W320 HydrophobicContact CE2-CZ2 4.47Å; F316-W320 AromaticContact CE2-CZ3 3.64Å; F316-W320 HydrophobicContact CE2-CZ3 3.64Å; F316-W320 VanDerWaalsContact O-CD1 3.3Å; F316-W320 PolarHBondContact O-N 3.45Å; T317-W320 HydrophobicContact CG2-CE3 4.45Å; T317-W320 PolarHBondContact O-N 2.97Å; W320-L324 PolarHBondContact O-N 3Å; W320-L325 HydrophobicContact CB-CD2 3.6Å; W320-L325 HydrophobicContact CD2-CD2 4.23Å; W320-L325 HydrophobicContact CG-CD2 3.8Å; W320-L325 PolarHBondContact O-N 3.09Å; W320-E328 HydrophobicContact CG-CG 4.31Å; W320-E328 PolarHBondContact NE1-OE1 2.87Å; W320-E328 PolarHBondContact NE1-OE2 2.85Å; W320-E328 VanDerWaalsContact NE1-OE2 3.14Å; W320-C355 HydrophobicContact CE3-CB 3.94Å; W320-C355 HydrophobicContact CZ3-CB 4.38Å; W320-M358 HydrophobicContact CD2-CE 4.25Å; W320-M358 HydrophobicContact CE3-CE 4.32Å; W320-M358 HydrophobicContact CE3-SD 4.43Å; W320-M358 HydrophobicContact CH2-CB 4.26Å; W320-M358 HydrophobicContact CH2-CE 3.86Å; W320-M358 HydrophobicContact CZ2-CE 3.76Å; W320-M358 HydrophobicContact CZ3-CB 4.16Å; W320-M358 HydrophobicContact CZ3-CE 4.13Å; W320-M358 HydrophobicContact CZ3-SD 4.38Å; W320-L359 HydrophobicContact CH2-CD2 4.27Å; W320-L359 HydrophobicContact CZ3-CD2 4.38Å; W320-L359 HydrophobicContact CZ3-CG 4.34Å; W320-L378 HydrophobicContact CH2-CD2 4.12Å; W320-L378 VanDerWaalsContact CZ2-O 3.23Å; W320-L378 WeakPolarHBondContact CZ2-O 3.23Å; W320-Y381 HydrophobicContact CH2-CD2 4.45Å; W320-Y381 HydrophobicContact CZ2-CD2 4.33Å
321L94.6Very high93.4Very high3 Ų335.6 Ų35.62%0.01616%0.162CC..Hα-helixtrans-83-44.7-176.2-63.3-179.2000112.9I284 R287 M288 V291 T317 F318 R319 L323 L324 L351 L352I284-L321 HydrophobicContact CD1-CB 3.91Å; I284-L321 HydrophobicContact CD1-CD1 4.32Å; R287-L321 HydrophobicContact CB-CD1 3.95Å; M288-L321 HydrophobicContact CG-CD1 3.96Å; V291-L321 HydrophobicContact CG2-CD1 4.36Å; T317-L321 WeakPolarHBondContact O-CB 3.4Å; T317-L321 VanDerWaalsContact O-CG 3.24Å; T317-L321 WeakPolarHBondContact O-CG 3.46Å; T317-L321 PolarHBondContact O-N 3.44Å; F318-L321 PolarHBondContact O-N 3.07Å; R319-L321 VanDerWaalsContact C-N 3.28Å; R319-L321 PolarHBondContact O-N 3.08Å; L321-L323 VanDerWaalsContact C-N 3.3Å; L321-L323 PolarHBondContact O-N 3.4Å; L321-L324 PolarHBondContact O-N 3.29Å; L321-L351 HydrophobicContact CD2-CD2 3.95Å; L321-L351 HydrophobicContact CD2-CG 3.88Å; L321-L352 HydrophobicContact CD1-CD2 3.9Å; L321-L352 HydrophobicContact CD2-CD2 3.61Å; L321-L352 HydrophobicContact CG-CD2 4.42Å
322T91.7Very high93.4Very high9 Ų939.8 Ų39.86%0.05519%0.19CC..Hα-helixtrans-69.5-29.4-177.753.70000112.5I234 I284 F318I234-T322 WeakPolarHBondContact CD1-O 3.48Å; I284-T322 HydrophobicContact CD1-CG2 3.71Å; I284-T322 HydrophobicContact CG1-CG2 3.94Å; F318-T322 HydrophobicContact CD2-CG2 4.19Å; F318-T322 HydrophobicContact CE1-CG2 4.28Å; F318-T322 HydrophobicContact CE2-CG2 3.87Å; F318-T322 HydrophobicContact CZ-CG2 3.92Å; F318-T322 WeakPolarHBondContact O-CB 3.22Å; F318-T322 VanDerWaalsContact O-CG2 3.31Å; F318-T322 WeakPolarHBondContact O-CG2 3.31Å; F318-T322 PolarHBondContact O-N 3.15Å; F318-T322 PolarHBondContact O-OG1 2.92Å
323L94.1Very high93.7Very high12 Ų1236.8 Ų36.86%0.06318%0.179CC..THydrogen-bonded Turntrans-103.67.6179.9-50.1-172.9000113.4G230 R319 L321 L325 S326 Q327G230-L323 VanDerWaalsContact CA-CD2 3.47Å; R319-L323 HydrophobicContact CG-CD1 3.63Å; R319-L323 HydrophobicContact CG-CG 4.22Å; R319-L323 VanDerWaalsContact O-CB 3.31Å; R319-L323 WeakPolarHBondContact O-CB 3.31Å; R319-L323 WeakPolarHBondContact O-CG 3.39Å; R319-L323 PolarHBondContact O-N 3.34Å; L321-L323 VanDerWaalsContact C-N 3.3Å; L321-L323 PolarHBondContact O-N 3.4Å; L323-L325 PolarHBondContact O-N 3.3Å; L323-L325 VanDerWaalsContact O-N 3.17Å; L323-S326 VanDerWaalsContact O-CB 3.29Å; L323-S326 WeakPolarHBondContact O-CB 3.31Å; L323-S326 PolarHBondContact O-N 2.67Å; L323-S326 PolarHBondContact O-OG 2.88Å; L323-Q327 HydrophobicContact CD1-CB 4.24Å; L323-Q327 HydrophobicContact CD1-CG 3.62Å
324L96.4Very high94Very high4 Ų436.6 Ų36.62%0.02118%0.178CC..THydrogen-bonded Turntrans50.541.9-178.5-49.7179.3000112.5I234 L265 W320 L321 S326 W338 F348 L351I234-L324 HydrophobicContact CG2-CD1 4.3Å; L265-L324 HydrophobicContact CD2-CD1 4.04Å; W320-L324 PolarHBondContact O-N 3Å; L321-L324 PolarHBondContact O-N 3.29Å; L324-S326 PolarHBondContact O-N 3.33Å; L324-W338 HydrophobicContact CB-CZ2 3.96Å; L324-W338 HydrophobicContact CD1-CZ2 4.24Å; L324-W338 PolarHBondContact O-NE1 3.23Å; L324-F348 HydrophobicContact CD2-CD1 4.29Å; L324-F348 HydrophobicContact CD2-CE1 4.03Å; L324-L351 HydrophobicContact CD2-CD2 3.55Å
325L96.8Very high94.4Very high1 Ų134 Ų341%0.00517%0.166CC..THydrogen-bonded Turntrans63.410.9-178.6-56.3166.4000116W320 L323 Q327 E328 F329 I337 L351 V354 M358W320-L325 HydrophobicContact CB-CD2 3.6Å; W320-L325 HydrophobicContact CD2-CD2 4.23Å; W320-L325 HydrophobicContact CG-CD2 3.8Å; W320-L325 PolarHBondContact O-N 3.09Å; L323-L325 PolarHBondContact O-N 3.3Å; L323-L325 VanDerWaalsContact O-N 3.17Å; L325-Q327 PolarHBondContact O-N 3.15Å; L325-Q327 VanDerWaalsContact O-N 3.14Å; L325-E328 HydrophobicContact CB-CG 4.28Å; L325-E328 HydrophobicContact CD2-CG 3.82Å; L325-E328 PolarHBondContact O-N 3.03Å; L325-F329 HydrophobicContact CB-CD2 3.98Å; L325-F329 HydrophobicContact CB-CE2 4Å; L325-F329 HydrophobicContact CD1-CE2 4.26Å; L325-F329 HydrophobicContact CD2-CE2 4.48Å; L325-F329 HydrophobicContact CG-CE2 4.49Å; L325-I337 HydrophobicContact CD1-CG2 4.42Å; L325-L351 HydrophobicContact CD1-CD1 3.74Å; L325-L351 HydrophobicContact CG-CD1 3.93Å; L325-V354 HydrophobicContact CD1-CB 4.37Å; L325-V354 HydrophobicContact CD1-CG1 3.57Å; L325-M358 HydrophobicContact CD1-SD 4.05Å; L325-M358 HydrophobicContact CD2-CE 4.14Å; L325-M358 HydrophobicContact CD2-SD 3.69Å
326S95Very high94.7Very high2 Ų231.1 Ų31.11%0.01415%0.154CC..THydrogen-bonded Turntrans-64.9-20.9-173.4640000115.1E233 L323 L324E233-S326 VanDerWaalsContact CB-OG 3.29Å; E233-S326 WeakPolarHBondContact CB-OG 3.44Å; L323-S326 VanDerWaalsContact O-CB 3.29Å; L323-S326 WeakPolarHBondContact O-CB 3.31Å; L323-S326 PolarHBondContact O-N 2.67Å; L323-S326 PolarHBondContact O-OG 2.88Å; L324-S326 PolarHBondContact O-N 3.33Å
327Q93.3Very high94.9Very high87 Ų8731 Ų3141%0.40715%0.154SC..THydrogen-bonded Turntrans-97.7-1.3174.7-68.4-166.8-2.200113.9E233 R319 L323 L325E233-Q327 HydrophobicContact CG-CG 4.23Å; R319-Q327 PolarHBondContact NH1-O 2.62Å; R319-Q327 VanDerWaalsContact NH1-O 3.11Å; L323-Q327 HydrophobicContact CD1-CB 4.24Å; L323-Q327 HydrophobicContact CD1-CG 3.62Å; L325-Q327 PolarHBondContact O-N 3.15Å; L325-Q327 VanDerWaalsContact O-N 3.14Å
328E94Very high95.2Very high23 Ų2331 Ų3111%0.10715%0.154CC..THydrogen-bonded Turntrans-91.1-24.8174.3-48.6-42.4134.500112.1R319 W320 L325 M358R319-E328 IonicContact CZ-OE1 3.49Å; R319-E328 IonicContact CZ-OE2 2.7Å; R319-E328 IonicContact NE-OE1 2.81Å; R319-E328 PolarHBondContact NE-OE1 2.99Å; R319-E328 IonicContact NH1-OE1 2.64Å; R319-E328 PolarHBondContact NH1-OE1 3.35Å; R319-E328 IonicContact NH1-OE2 3.68Å; R319-E328 PolarHBondContact NH1-OE2 3.06Å; R319-E328 IonicContact NH2-OE1 3.96Å; R319-E328 PolarHBondContact NH2-OE1 3.48Å; R319-E328 IonicContact NH2-OE2 2.68Å; R319-E328 PolarHBondContact NH2-OE2 2.89Å; W320-E328 HydrophobicContact CG-CG 4.31Å; W320-E328 PolarHBondContact NE1-OE1 2.87Å; W320-E328 PolarHBondContact NE1-OE2 2.85Å; W320-E328 VanDerWaalsContact NE1-OE2 3.14Å; L325-E328 HydrophobicContact CB-CG 4.28Å; L325-E328 HydrophobicContact CD2-CG 3.82Å; L325-E328 PolarHBondContact O-N 3.03Å; E328-M358 HydrophobicContact CG-CE 4.43Å
329F95.1Very high95.6Very high16 Ų1626.4 Ų26.47%0.0713%0.133CC..SBendtrans-130.3154-170.7-58.5-74.8000111L325 D333 V334 I337 M358 Y381 V386 I389L325-F329 HydrophobicContact CB-CD2 3.98Å; L325-F329 HydrophobicContact CB-CE2 4Å; L325-F329 HydrophobicContact CD1-CE2 4.26Å; L325-F329 HydrophobicContact CD2-CE2 4.48Å; L325-F329 HydrophobicContact CG-CE2 4.49Å; F329-D333 HydrophobicContact CB-CB 3.8Å; F329-D333 HydrophobicContact CG-CB 4.47Å; F329-V334 HydrophobicContact CB-CG2 3.91Å; F329-V334 VanDerWaalsContact O-CG2 3.29Å; F329-V334 WeakPolarHBondContact O-CG2 3.38Å; F329-I337 HydrophobicContact CD2-CD1 3.35Å; F329-I337 HydrophobicContact CE2-CD1 3.56Å; F329-I337 HydrophobicContact CG-CD1 3.89Å; F329-I337 HydrophobicContact CZ-CD1 4.23Å; F329-M358 HydrophobicContact CE2-CE 4.07Å; F329-M358 HydrophobicContact CE2-SD 4.2Å; F329-M358 HydrophobicContact CZ-CE 3.85Å; F329-M358 HydrophobicContact CZ-SD 4.16Å; F329-Y381 AromaticContact CE1-CD1 3.97Å; F329-Y381 HydrophobicContact CE1-CD1 3.97Å; F329-Y381 HydrophobicContact CE1-CE1 4.33Å; F329-Y381 AromaticContact CZ-CD1 3.92Å; F329-Y381 HydrophobicContact CZ-CD1 3.92Å; F329-Y381 HydrophobicContact CZ-CE1 4.17Å; F329-V386 HydrophobicContact CD1-CG1 3.76Å; F329-V386 HydrophobicContact CE1-CG1 3.96Å; F329-V386 HydrophobicContact CG-CG1 4.24Å; F329-I389 HydrophobicContact CE1-CD1 3.64Å; F329-I389 HydrophobicContact CZ-CD1 3.46Å; F329-I389 VanDerWaalsContact CZ-CD1 3.46Å
330L94Very high95.9Very high126 Ų12623.6 Ų23.666%0.6612%0.123SC*.  trans-67.5154.5172.4-62.9177.1000110.3P332 D333 V334L330-P332 VanDerWaalsContact C-CD 3.41Å; L330-P332 VanDerWaalsContact C-N 3.34Å; L330-P332 VanDerWaalsContact O-N 3.12Å; L330-D333 WeakPolarHBondContact O-CA 3.28Å; L330-D333 WeakPolarHBondContact O-CB 3.37Å; L330-D333 PolarHBondContact O-N 2.74Å; L330-V334 WeakPolarHBondContact O-CG2 3.46Å; L330-V334 PolarHBondContact O-N 3.12Å
331L94.8Very high96Very high9 Ų923.8 Ų23.85%0.04712%0.124CC..Hα-helixtrans-48.6-43.4-175.1179.664.2000115.1Y131 M134 P237 Y240 D333 V334 I335Y131-L331 HydrophobicContact CD1-CB 4.27Å; Y131-L331 HydrophobicContact CE1-CB 3.94Å; Y131-L331 HydrophobicContact CE1-CD1 4.44Å; Y131-L331 HydrophobicContact CE2-CD1 4.05Å; M134-L331 HydrophobicContact CE-CD2 3.8Å; M134-L331 HydrophobicContact SD-CD2 3.42Å; M134-L331 WeakPolarHBondContact SD-CD2 3.38Å; P237-L331 HydrophobicContact CB-CD1 3.59Å; P237-L331 HydrophobicContact CG-CD1 3.68Å; Y240-L331 HydrophobicContact CD1-CD2 3.81Å; Y240-L331 HydrophobicContact CD1-CG 4.46Å; Y240-L331 HydrophobicContact CD2-CD2 4.11Å; Y240-L331 HydrophobicContact CE1-CD2 4.08Å; Y240-L331 HydrophobicContact CE2-CD2 4.4Å; Y240-L331 HydrophobicContact CG-CD2 3.8Å; L331-D333 VanDerWaalsContact C-N 3.27Å; L331-D333 PolarHBondContact O-N 3.35Å; L331-V334 PolarHBondContact O-N 3.17Å; L331-I335 HydrophobicContact CD1-CD1 3.94Å; L331-I335 HydrophobicContact CD1-CG1 4.05Å; L331-I335 HydrophobicContact CG-CD1 3.87Å; L331-I335 HydrophobicContact CG-CG1 4.41Å; L331-I335 WeakPolarHBondContact O-CB 3.5Å; L331-I335 VanDerWaalsContact O-CG1 3.26Å; L331-I335 WeakPolarHBondContact O-CG1 3.41Å; L331-I335 PolarHBondContact O-N 3.35Å
332P95.1Very high96.1Very high93 Ų9323.8 Ų23.860%0.60412%0.124SC*.Hα-helixtrans-59.5-38.2176.9-24.135.6000113.4L330 R336L330-P332 VanDerWaalsContact C-CD 3.41Å; L330-P332 VanDerWaalsContact C-N 3.34Å; L330-P332 VanDerWaalsContact O-N 3.12Å; P332-R336 PolarHBondContact O-N 2.92Å
333D96.6Very high96.4Very high45 Ų4523.5 Ų23.524%0.24112%0.123CC..Hα-helixtrans-75-38.6179.7-70.3-31.4000111.2F329 L330 L331 R336 I337 V386F329-D333 HydrophobicContact CB-CB 3.8Å; F329-D333 HydrophobicContact CG-CB 4.47Å; L330-D333 WeakPolarHBondContact O-CA 3.28Å; L330-D333 WeakPolarHBondContact O-CB 3.37Å; L330-D333 PolarHBondContact O-N 2.74Å; L331-D333 VanDerWaalsContact C-N 3.27Å; L331-D333 PolarHBondContact O-N 3.35Å; D333-R336 PolarHBondContact O-N 2.82Å; D333-I337 WeakPolarHBondContact O-CG1 3.45Å; D333-I337 PolarHBondContact O-N 3.46Å; D333-V386 HydrophobicContact CB-CG1 3.68Å; D333-V386 HydrophobicContact CB-CG2 4.43Å
334V97.4Very high96.5Very high1 Ų123.8 Ų23.81%0.00612%0.124CC..Hα-helixtrans-57.9-49.7170.91770000110.4P237 F329 L330 L331 R336 I337 W338P237-V334 HydrophobicContact CB-CG1 4.44Å; P237-V334 HydrophobicContact CG-CG1 4.08Å; F329-V334 HydrophobicContact CB-CG2 3.91Å; F329-V334 VanDerWaalsContact O-CG2 3.29Å; F329-V334 WeakPolarHBondContact O-CG2 3.38Å; L330-V334 WeakPolarHBondContact O-CG2 3.46Å; L330-V334 PolarHBondContact O-N 3.12Å; L331-V334 PolarHBondContact O-N 3.17Å; V334-R336 VanDerWaalsContact C-N 3.29Å; V334-R336 PolarHBondContact O-N 3.25Å; V334-I337 PolarHBondContact O-N 3.27Å; V334-W338 HydrophobicContact CG1-CD2 4.1Å; V334-W338 HydrophobicContact CG1-CG 4.4Å; V334-W338 HydrophobicContact CG1-CZ2 3.89Å; V334-W338 WeakPolarHBondContact O-CB 3.41Å; V334-W338 VanDerWaalsContact O-CD1 3.26Å; V334-W338 VanDerWaalsContact O-CG 3.3Å; V334-W338 PolarHBondContact O-N 3.5Å
335I97.4Very high96.4Very high14 Ų1432.1 Ų32.17%0.07216%0.155CC..Hα-helixtrans-58.5-43.5176.9-70.1168.6000110.4W45 P237 Y240 L331 W338 D339W45-I335 HydrophobicContact CH2-CB 4.35Å; W45-I335 HydrophobicContact CH2-CG1 4.09Å; W45-I335 HydrophobicContact CH2-CG2 4.14Å; W45-I335 HydrophobicContact CZ2-CB 4.4Å; W45-I335 HydrophobicContact CZ2-CG2 3.85Å; P237-I335 HydrophobicContact CB-CG1 4.41Å; Y240-I335 HydrophobicContact CD1-CD1 3.68Å; Y240-I335 HydrophobicContact CE1-CD1 3.86Å; L331-I335 HydrophobicContact CD1-CD1 3.94Å; L331-I335 HydrophobicContact CD1-CG1 4.05Å; L331-I335 HydrophobicContact CG-CD1 3.87Å; L331-I335 HydrophobicContact CG-CG1 4.41Å; L331-I335 WeakPolarHBondContact O-CB 3.5Å; L331-I335 VanDerWaalsContact O-CG1 3.26Å; L331-I335 WeakPolarHBondContact O-CG1 3.41Å; L331-I335 PolarHBondContact O-N 3.35Å; I335-W338 PolarHBondContact O-N 3.02Å; I335-D339 PolarHBondContact O-N 3.15Å
336R97.6Very high96.2Very high47 Ų4736.1 Ų36.118%0.17718%0.177CC..Hα-helixtrans-63.4-44.6177.2175.659.5-168.984.20.4111.9S32 P332 D333 V334 W338 D339 S340 V386 L390S32-R336 PolarHBondContact O-NH2 3.34Å; S32-R336 VanDerWaalsContact O-NH2 3.14Å; P332-R336 PolarHBondContact O-N 2.92Å; D333-R336 PolarHBondContact O-N 2.82Å; V334-R336 VanDerWaalsContact C-N 3.29Å; V334-R336 PolarHBondContact O-N 3.25Å; R336-W338 VanDerWaalsContact C-N 3.27Å; R336-W338 PolarHBondContact O-N 3.36Å; R336-D339 WeakPolarHBondContact O-CB 3.21Å; R336-D339 PolarHBondContact O-N 3.43Å; R336-S340 PolarHBondContact NH1-OG 3.45Å; R336-V386 HydrophobicContact CB-CG2 4.22Å; R336-V386 HydrophobicContact CG-CG2 3.81Å; R336-L390 VanDerWaalsContact NH1-CD1 3.26Å
337I98.3Very high96.2Very high1 Ų136.7 Ų36.71%0.00518%0.178CC..Hα-helixtrans-59.6-43.3175.6-70.4166.7000109.7L325 F329 D333 V334 D339 S340 L341 V386L325-I337 HydrophobicContact CD1-CG2 4.42Å; F329-I337 HydrophobicContact CD2-CD1 3.35Å; F329-I337 HydrophobicContact CE2-CD1 3.56Å; F329-I337 HydrophobicContact CG-CD1 3.89Å; F329-I337 HydrophobicContact CZ-CD1 4.23Å; D333-I337 WeakPolarHBondContact O-CG1 3.45Å; D333-I337 PolarHBondContact O-N 3.46Å; V334-I337 PolarHBondContact O-N 3.27Å; I337-D339 PolarHBondContact O-N 3.45Å; I337-S340 WeakPolarHBondContact O-CA 3.48Å; I337-S340 WeakPolarHBondContact O-CB 3.37Å; I337-S340 PolarHBondContact O-N 2.89Å; I337-L341 HydrophobicContact CG2-CD1 3.94Å; I337-L341 HydrophobicContact CG2-CG 3.98Å; I337-L341 WeakPolarHBondContact O-CG 3.41Å; I337-L341 PolarHBondContact O-N 3.35Å; I337-V386 HydrophobicContact CD1-CB 4.26Å; I337-V386 HydrophobicContact CD1-CG1 3.72Å; I337-V386 HydrophobicContact CG1-CB 4.02Å; I337-V386 HydrophobicContact CG1-CG1 4Å
338W98.5Very high96.2Very high0 Ų033.4 Ų33.40%016%0.163CC..Hα-helixtrans-69.5-28.9-177.8-7318.4000113.7W45 I234 P237 I238 L324 V334 I335 R336 S340 L341 F342W45-W338 HydrophobicContact CH2-CB 3.98Å; W45-W338 HydrophobicContact CH2-CD2 4.47Å; W45-W338 AromaticContact CH2-CE3 3.7Å; W45-W338 HydrophobicContact CH2-CE3 3.7Å; W45-W338 HydrophobicContact CZ2-CB 3.75Å; W45-W338 AromaticContact CZ3-CE3 3.95Å; W45-W338 HydrophobicContact CZ3-CE3 3.95Å; W45-W338 HydrophobicContact CZ3-CZ3 4.47Å; I234-W338 HydrophobicContact CG2-CH2 4.26Å; I234-W338 WeakPolarHBondContact O-CH2 3.15Å; I234-W338 WeakPolarHBondContact O-CZ3 3.33Å; P237-W338 HydrophobicContact CB-CE3 4.1Å; P237-W338 HydrophobicContact CB-CH2 3.88Å; P237-W338 HydrophobicContact CB-CZ3 3.55Å; P237-W338 HydrophobicContact CG-CH2 3.65Å; P237-W338 HydrophobicContact CG-CZ2 4.34Å; P237-W338 HydrophobicContact CG-CZ3 3.88Å; I238-W338 HydrophobicContact CG1-CZ3 3.82Å; L324-W338 HydrophobicContact CB-CZ2 3.96Å; L324-W338 HydrophobicContact CD1-CZ2 4.24Å; L324-W338 PolarHBondContact O-NE1 3.23Å; V334-W338 HydrophobicContact CG1-CD2 4.1Å; V334-W338 HydrophobicContact CG1-CG 4.4Å; V334-W338 HydrophobicContact CG1-CZ2 3.89Å; V334-W338 WeakPolarHBondContact O-CB 3.41Å; V334-W338 VanDerWaalsContact O-CD1 3.26Å; V334-W338 VanDerWaalsContact O-CG 3.3Å; V334-W338 PolarHBondContact O-N 3.5Å; I335-W338 PolarHBondContact O-N 3.02Å; R336-W338 VanDerWaalsContact C-N 3.27Å; R336-W338 PolarHBondContact O-N 3.36Å; W338-S340 PolarHBondContact O-N 3.37Å; W338-L341 PolarHBondContact O-N 3.06Å; W338-F342 HydrophobicContact CB-CD2 4.25Å; W338-F342 HydrophobicContact CB-CE1 4.49Å; W338-F342 HydrophobicContact CB-CE2 3.9Å; W338-F342 HydrophobicContact CB-CZ 4.04Å; W338-F342 HydrophobicContact CD2-CE1 4.43Å; W338-F342 HydrophobicContact CD2-CE2 4.26Å; W338-F342 AromaticContact CD2-CZ 3.75Å; W338-F342 HydrophobicContact CD2-CZ 3.75Å; W338-F342 HydrophobicContact CE3-CE1 4.42Å; W338-F342 AromaticContact CE3-CE2 3.73Å; W338-F342 HydrophobicContact CE3-CE2 3.73Å; W338-F342 AromaticContact CE3-CZ 3.38Å; W338-F342 HydrophobicContact CE3-CZ 3.38Å; W338-F342 HydrophobicContact CG-CE1 4.48Å; W338-F342 HydrophobicContact CG-CE2 4.38Å; W338-F342 HydrophobicContact CG-CZ 4.06Å; W338-F342 HydrophobicContact CZ3-CZ 4.11Å; W338-F342 WeakPolarHBondContact O-CB 3.45Å; W338-F342 WeakPolarHBondContact O-CD2 3.24Å; W338-F342 VanDerWaalsContact O-CG 3.25Å; W338-F342 WeakPolarHBondContact O-CG 3.22Å; W338-F342 PolarHBondContact O-N 2.85Å
339D98.5Very high96.3Very high1 Ų134.3 Ų34.31%0.00517%0.167CC..Hα-helixtrans-54-44.7167.4-71.1-14.7000110.5I34 R41 W45 I335 R336 I337 S343I34-D339 HydrophobicContact CD1-CB 4.27Å; I34-D339 HydrophobicContact CG1-CB 4.28Å; I34-D339 PolarHBondContact N-OD2 3.38Å; R41-D339 WeakPolarHBondContact CD-OD1 3.41Å; R41-D339 IonicContact NE-OD1 2.67Å; R41-D339 PolarHBondContact NE-OD1 3.27Å; R41-D339 IonicContact NE-OD2 3.16Å; R41-D339 PolarHBondContact NE-OD2 3.38Å; W45-D339 PolarHBondContact NE1-OD1 3.49Å; I335-D339 PolarHBondContact O-N 3.15Å; R336-D339 WeakPolarHBondContact O-CB 3.21Å; R336-D339 PolarHBondContact O-N 3.43Å; I337-D339 PolarHBondContact O-N 3.45Å; D339-S343 VanDerWaalsContact O-CB 3.25Å; D339-S343 WeakPolarHBondContact O-CB 3.44Å; D339-S343 PolarHBondContact O-N 3.35Å; D339-S343 PolarHBondContact O-OG 2.75Å
340S98.3Very high96.4Very high1 Ų133.6 Ų33.61%0.00716%0.164CC..Hα-helixtrans-71.5-47.2176.1-60.50000112.3F31 R336 I337 W338 F342 S343 D344F31-S340 PolarHBondContact O-OG 3.3Å; R336-S340 PolarHBondContact NH1-OG 3.45Å; I337-S340 WeakPolarHBondContact O-CA 3.48Å; I337-S340 WeakPolarHBondContact O-CB 3.37Å; I337-S340 PolarHBondContact O-N 2.89Å; W338-S340 PolarHBondContact O-N 3.37Å; S340-F342 PolarHBondContact O-N 3.4Å; S340-S343 PolarHBondContact O-N 3Å; S340-S343 PolarHBondContact O-OG 2.97Å; S340-D344 PolarHBondContact O-N 3.01Å; S340-D344 VanDerWaalsContact O-N 3.09Å
341L98.1Very high96.5Very high5 Ų527.8 Ų27.83%0.02613%0.134CC..Hα-helixtrans-58.4-51.8-179.8-64.1-177.3000111.1I337 W338 S343 D344 R347 F350 L351 V354I337-L341 HydrophobicContact CG2-CD1 3.94Å; I337-L341 HydrophobicContact CG2-CG 3.98Å; I337-L341 WeakPolarHBondContact O-CG 3.41Å; I337-L341 PolarHBondContact O-N 3.35Å; W338-L341 PolarHBondContact O-N 3.06Å; L341-S343 PolarHBondContact O-N 3.25Å; L341-D344 PolarHBondContact O-N 3.08Å; L341-D344 VanDerWaalsContact O-N 3.12Å; L341-R347 WeakPolarHBondContact O-CB 3.5Å; L341-F350 HydrophobicContact CD2-CD1 3.7Å; L341-F350 HydrophobicContact CD2-CE1 4.24Å; L341-L351 HydrophobicContact CD1-CD1 4.2Å; L341-L351 HydrophobicContact CD2-CB 4.08Å; L341-L351 HydrophobicContact CD2-CD1 4.44Å; L341-V354 HydrophobicContact CD2-CG2 4.29Å
342F98.3Very high96.6Very high2 Ų227.9 Ų27.91%0.00913%0.134CC..Hα-helixtrans-67-26.9-176.4-61-19.3000112.7W45 L48 L49 L265 W338 S340 R347W45-F342 AromaticContact CD2-CD2 3.88Å; W45-F342 HydrophobicContact CD2-CD2 3.88Å; W45-F342 AromaticContact CD2-CE2 3.82Å; W45-F342 HydrophobicContact CD2-CE2 3.82Å; W45-F342 AromaticContact CE2-CD2 3.88Å; W45-F342 AromaticContact CE2-CE2 3.96Å; W45-F342 HydrophobicContact CE3-CD2 4.35Å; W45-F342 AromaticContact CE3-CE2 3.82Å; W45-F342 HydrophobicContact CE3-CE2 3.82Å; W45-F342 HydrophobicContact CG-CD2 4.09Å; W45-F342 HydrophobicContact CG-CE2 4.44Å; W45-F342 HydrophobicContact CH2-CE2 4.11Å; W45-F342 HydrophobicContact CZ2-CD2 4.35Å; W45-F342 HydrophobicContact CZ2-CE2 4.11Å; W45-F342 AromaticContact CZ3-CE2 3.97Å; W45-F342 HydrophobicContact CZ3-CE2 3.97Å; L48-F342 HydrophobicContact CB-CB 4Å; L48-F342 HydrophobicContact CD1-CB 4.31Å; L49-F342 HydrophobicContact CD1-CD2 4.26Å; L49-F342 HydrophobicContact CD1-CE2 3.95Å; L49-F342 HydrophobicContact CD1-CZ 4.33Å; L49-F342 HydrophobicContact CD2-CD1 3.7Å; L49-F342 HydrophobicContact CD2-CD2 3.96Å; L49-F342 HydrophobicContact CD2-CE1 3.76Å; L49-F342 HydrophobicContact CD2-CE2 4Å; L49-F342 HydrophobicContact CD2-CG 3.81Å; L49-F342 HydrophobicContact CD2-CZ 3.9Å; L49-F342 HydrophobicContact CG-CD2 4.12Å; L49-F342 HydrophobicContact CG-CE2 4.24Å; L49-F342 HydrophobicContact CG-CG 4.35Å; L265-F342 HydrophobicContact CD1-CE1 4.01Å; L265-F342 HydrophobicContact CD2-CE1 4.05Å; L265-F342 HydrophobicContact CD2-CZ 4.08Å; W338-F342 HydrophobicContact CB-CD2 4.25Å; W338-F342 HydrophobicContact CB-CE1 4.49Å; W338-F342 HydrophobicContact CB-CE2 3.9Å; W338-F342 HydrophobicContact CB-CZ 4.04Å; W338-F342 HydrophobicContact CD2-CE1 4.43Å; W338-F342 HydrophobicContact CD2-CE2 4.26Å; W338-F342 AromaticContact CD2-CZ 3.75Å; W338-F342 HydrophobicContact CD2-CZ 3.75Å; W338-F342 HydrophobicContact CE3-CE1 4.42Å; W338-F342 AromaticContact CE3-CE2 3.73Å; W338-F342 HydrophobicContact CE3-CE2 3.73Å; W338-F342 AromaticContact CE3-CZ 3.38Å; W338-F342 HydrophobicContact CE3-CZ 3.38Å; W338-F342 HydrophobicContact CG-CE1 4.48Å; W338-F342 HydrophobicContact CG-CE2 4.38Å; W338-F342 HydrophobicContact CG-CZ 4.06Å; W338-F342 HydrophobicContact CZ3-CZ 4.11Å; W338-F342 WeakPolarHBondContact O-CB 3.45Å; W338-F342 WeakPolarHBondContact O-CD2 3.24Å; W338-F342 VanDerWaalsContact O-CG 3.25Å; W338-F342 WeakPolarHBondContact O-CG 3.22Å; W338-F342 PolarHBondContact O-N 2.85Å; S340-F342 PolarHBondContact O-N 3.4Å; F342-R347 PolarHBondContact O-NH2 3.41Å
343S97.5Very high96.7Very high4 Ų423.8 Ų23.83%0.02811%0.107CC..Hα-helixtrans-75.8-26174.1760000114.2R27 F31 D339 S340 L341R27-S343 VanDerWaalsContact CB-O 3.27Å; R27-S343 WeakPolarHBondContact CB-O 3.23Å; R27-S343 WeakPolarHBondContact CD-O 3.38Å; R27-S343 WeakPolarHBondContact CG-O 3.31Å; R27-S343 WeakPolarHBondContact O-CB 3.28Å; F31-S343 WeakPolarHBondContact CA-OG 3.37Å; F31-S343 WeakPolarHBondContact CB-OG 3.2Å; F31-S343 WeakPolarHBondContact CD2-OG 3.44Å; F31-S343 PolarHBondContact N-OG 3.39Å; D339-S343 VanDerWaalsContact O-CB 3.25Å; D339-S343 WeakPolarHBondContact O-CB 3.44Å; D339-S343 PolarHBondContact O-N 3.35Å; D339-S343 PolarHBondContact O-OG 2.75Å; S340-S343 PolarHBondContact O-N 3Å; S340-S343 PolarHBondContact O-OG 2.97Å; L341-S343 PolarHBondContact O-N 3.25Å
344D96.7Very high96.8Very high18 Ų1821.7 Ų21.710%0.09610%0.096CC..SBendtrans-72.7142.6179.5-162.4-69.8000110.8S340 L341 D346 F350 Q397S340-D344 PolarHBondContact O-N 3.01Å; S340-D344 VanDerWaalsContact O-N 3.09Å; L341-D344 PolarHBondContact O-N 3.08Å; L341-D344 VanDerWaalsContact O-N 3.12Å; D344-D346 VanDerWaalsContact C-N 3.29Å; D344-D346 PolarHBondContact OD1-N 2.98Å; D344-F350 HydrophobicContact CB-CB 4.05Å; D344-F350 HydrophobicContact CB-CD1 4.15Å; D344-F350 HydrophobicContact CB-CG 4.17Å; D344-Q397 PolarHBondContact OD2-NE2 3.08Å
345R92.4Very high96.8Very high178 Ų17821.6 Ų21.667%0.67210%0.095SC*.THydrogen-bonded Turntrans-70.2-29.2180-65.3-177.2-179.5-170.1-1.2111.9T24T24-R345 PolarHBondContact OG1-NH2 3.36Å
346D93.2Very high96.8Very high85 Ų8521 Ų2146%0.4559%0.092SC..THydrogen-bonded Turntrans-122.162.2176.2-169.2-5.4000109.2D344 F348 H349 F350D344-D346 VanDerWaalsContact C-N 3.29Å; D344-D346 PolarHBondContact OD1-N 2.98Å; D346-F348 PolarHBondContact O-N 3.03Å; D346-F348 VanDerWaalsContact O-N 3.15Å; D346-H349 HydrophobicContact CB-CB 4.17Å; D346-H349 PolarHBondContact O-N 2.81Å; D346-H349 VanDerWaalsContact OD1-CB 3.23Å; D346-H349 WeakPolarHBondContact OD1-CB 3.46Å; D346-H349 PolarHBondContact OD1-N 2.85Å; D346-H349 WeakPolarHBondContact OD2-CB 3.36Å; D346-H349 IonicContact OD2-CG 3.84Å; D346-F350 PolarHBondContact O-N 3.27Å
347R95.1Very high96.8Very high14 Ų1418.8 Ų18.85%0.0538%0.084CC..Hα-helixtrans-52.9-37.1-172.466.4-173.457.8144.4-8.2114.6L48 E268 L341 F342 F350 L351L48-R347 PolarHBondContact O-NH2 3.18Å; E268-R347 IonicContact OE1-CZ 3.42Å; E268-R347 IonicContact OE1-NH1 2.67Å; E268-R347 PolarHBondContact OE1-NH1 2.98Å; E268-R347 IonicContact OE2-CZ 3.4Å; E268-R347 IonicContact OE2-NE 3.49Å; E268-R347 IonicContact OE2-NH1 3.36Å; E268-R347 PolarHBondContact OE2-NH1 3.16Å; L341-R347 WeakPolarHBondContact O-CB 3.5Å; F342-R347 PolarHBondContact O-NH2 3.41Å; R347-F350 PolarHBondContact O-N 2.78Å; R347-L351 WeakPolarHBondContact O-CB 3.33Å; R347-L351 PolarHBondContact O-N 3.05Å
348F94.4Very high96.8Very high19 Ų1918.7 Ų18.78%0.0838%0.084CC..Hα-helixtrans-81.4-29.3-178.3-58.7-70.9000112.1L265 E268 N269 R287 L324 D346 L351 L352L265-F348 HydrophobicContact CD1-CE1 4.47Å; L265-F348 HydrophobicContact CD1-CZ 3.95Å; E268-F348 HydrophobicContact CB-CE2 3.64Å; E268-F348 HydrophobicContact CB-CZ 4.19Å; N269-F348 HydrophobicContact CB-CE1 3.69Å; N269-F348 HydrophobicContact CB-CE2 4.32Å; N269-F348 HydrophobicContact CB-CZ 3.57Å; R287-F348 VanDerWaalsContact NH1-CB 3.25Å; L324-F348 HydrophobicContact CD2-CD1 4.29Å; L324-F348 HydrophobicContact CD2-CE1 4.03Å; D346-F348 PolarHBondContact O-N 3.03Å; D346-F348 VanDerWaalsContact O-N 3.15Å; F348-L351 WeakPolarHBondContact O-CB 3.23Å; F348-L352 WeakPolarHBondContact O-CG 3.45Å; F348-L352 PolarHBondContact O-N 3.4Å
349H94.6Very high96.8Very high42 Ų4218.7 Ų18.719%0.1948%0.084CC..Hα-helixtrans-68-43.3165.9-178.284.3000110.9D346 L351 L352 L353 R400D346-H349 HydrophobicContact CB-CB 4.17Å; D346-H349 PolarHBondContact O-N 2.81Å; D346-H349 VanDerWaalsContact OD1-CB 3.23Å; D346-H349 WeakPolarHBondContact OD1-CB 3.46Å; D346-H349 PolarHBondContact OD1-N 2.85Å; D346-H349 WeakPolarHBondContact OD2-CB 3.36Å; D346-H349 IonicContact OD2-CG 3.84Å; H349-L351 PolarHBondContact O-N 2.94Å; H349-L352 WeakPolarHBondContact O-CA 3.31Å; H349-L352 WeakPolarHBondContact O-CB 3.37Å; H349-L352 PolarHBondContact O-N 2.75Å; H349-L353 PolarHBondContact O-N 3.06Å; H349-L353 VanDerWaalsContact O-N 3.12Å; H349-R400 PolarHBondContact CD2-NH2 3.31Å; H349-R400 PolarHBondContact CE1-NH2 3.45Å; H349-R400 VanDerWaalsContact CE1-NH2 3.34Å; H349-R400 PolarHBondContact NE2-NH2 3.03Å
350F97.1Very high96.7Very high0 Ų020 Ų200%09%0.09CC..Hα-helixtrans-59.3-37.7176.5-174.7-115.1000111.3F31 L341 D344 D346 R347 L352 L353 V354 L390 A393F31-F350 HydrophobicContact CE2-CD1 4.38Å; F31-F350 AromaticContact CE2-CE1 3.76Å; F31-F350 HydrophobicContact CE2-CE1 3.76Å; F31-F350 HydrophobicContact CE2-CE2 4.1Å; F31-F350 AromaticContact CE2-CZ 3.62Å; F31-F350 HydrophobicContact CE2-CZ 3.62Å; F31-F350 HydrophobicContact CZ-CE1 4.05Å; F31-F350 AromaticContact CZ-CE2 3.93Å; F31-F350 HydrophobicContact CZ-CE2 3.93Å; F31-F350 AromaticContact CZ-CZ 3.46Å; F31-F350 HydrophobicContact CZ-CZ 3.46Å; F31-F350 VanDerWaalsContact CZ-CZ 3.46Å; L341-F350 HydrophobicContact CD2-CD1 3.7Å; L341-F350 HydrophobicContact CD2-CE1 4.24Å; D344-F350 HydrophobicContact CB-CB 4.05Å; D344-F350 HydrophobicContact CB-CD1 4.15Å; D344-F350 HydrophobicContact CB-CG 4.17Å; D346-F350 PolarHBondContact O-N 3.27Å; R347-F350 PolarHBondContact O-N 2.78Å; F350-L352 VanDerWaalsContact C-N 3.32Å; F350-L352 PolarHBondContact O-N 3.31Å; F350-L353 HydrophobicContact CD2-CD1 4.22Å; F350-L353 CarbonylContact O-C 3.55Å; F350-L353 WeakPolarHBondContact O-CA 3.35Å; F350-L353 WeakPolarHBondContact O-CB 3.47Å; F350-L353 PolarHBondContact O-N 3.5Å; F350-V354 HydrophobicContact CD1-CG2 4.26Å; F350-V354 HydrophobicContact CE1-CG2 3.96Å; F350-V354 HydrophobicContact CZ-CG2 4.19Å; F350-V354 WeakPolarHBondContact O-CG2 3.3Å; F350-V354 PolarHBondContact O-N 2.98Å; F350-L390 HydrophobicContact CE1-CD2 4.21Å; F350-L390 HydrophobicContact CZ-CD2 4.39Å; F350-A393 HydrophobicContact CE2-CB 3.95Å; F350-A393 HydrophobicContact CZ-CB 4.06Å
351L97.4Very high96.6Very high5 Ų522.2 Ų22.23%0.02610%0.102CC..Hα-helixtrans-56.4-42.1169.7177.263.9000112.8L321 L324 L325 L341 R347 F348 H349 L353 V354 C355L321-L351 HydrophobicContact CD2-CD2 3.95Å; L321-L351 HydrophobicContact CD2-CG 3.88Å; L324-L351 HydrophobicContact CD2-CD2 3.55Å; L325-L351 HydrophobicContact CD1-CD1 3.74Å; L325-L351 HydrophobicContact CG-CD1 3.93Å; L341-L351 HydrophobicContact CD1-CD1 4.2Å; L341-L351 HydrophobicContact CD2-CB 4.08Å; L341-L351 HydrophobicContact CD2-CD1 4.44Å; R347-L351 WeakPolarHBondContact O-CB 3.33Å; R347-L351 PolarHBondContact O-N 3.05Å; F348-L351 WeakPolarHBondContact O-CB 3.23Å; H349-L351 PolarHBondContact O-N 2.94Å; L351-L353 VanDerWaalsContact C-N 3.27Å; L351-L353 PolarHBondContact O-N 3.09Å; L351-V354 WeakPolarHBondContact O-CB 3.44Å; L351-V354 PolarHBondContact O-N 3.09Å; L351-V354 VanDerWaalsContact O-N 3.17Å; L351-C355 PolarHBondContact O-N 3.06Å; L351-C355 PolarHBondContact O-SG 3.33Å; L351-C355 VanDerWaalsContact O-SG 3.36Å
352L96.6Very high96.6Very high11 Ų1122.4 Ų22.46%0.05810%0.103CC..Hα-helixtrans-61.5-39.2175.3-50.6179.9000111.1R287 V291 M294 L321 F348 H349 F350 C355 C356R287-L352 HydrophobicContact CB-CD2 4.18Å; V291-L352 HydrophobicContact CG2-CB 4.28Å; V291-L352 HydrophobicContact CG2-CD2 4Å; M294-L352 HydrophobicContact CE-CB 3.29Å; M294-L352 HydrophobicContact CE-CD1 4.43Å; M294-L352 HydrophobicContact CE-CG 4.46Å; M294-L352 WeakPolarHBondContact CE-O 3.41Å; M294-L352 HydrophobicContact SD-CB 4.5Å; L321-L352 HydrophobicContact CD1-CD2 3.9Å; L321-L352 HydrophobicContact CD2-CD2 3.61Å; L321-L352 HydrophobicContact CG-CD2 4.42Å; F348-L352 WeakPolarHBondContact O-CG 3.45Å; F348-L352 PolarHBondContact O-N 3.4Å; H349-L352 WeakPolarHBondContact O-CA 3.31Å; H349-L352 WeakPolarHBondContact O-CB 3.37Å; H349-L352 PolarHBondContact O-N 2.75Å; F350-L352 VanDerWaalsContact C-N 3.32Å; F350-L352 PolarHBondContact O-N 3.31Å; L352-C355 PolarHBondContact O-N 3.2Å; L352-C356 PolarHBondContact O-N 3.14Å
353L97.4Very high96.5Very high7 Ų725.7 Ų25.74%0.03712%0.115CC..Hα-helixtrans-65.8-38.2175.3-65170.6000111.6M294 H349 F350 L351 C356 A357 A393 L396 Q397M294-L353 HydrophobicContact SD-CD2 3.64Å; M294-L353 HydrophobicContact SD-CG 4.36Å; H349-L353 PolarHBondContact O-N 3.06Å; H349-L353 VanDerWaalsContact O-N 3.12Å; F350-L353 HydrophobicContact CD2-CD1 4.22Å; F350-L353 CarbonylContact O-C 3.55Å; F350-L353 WeakPolarHBondContact O-CA 3.35Å; F350-L353 WeakPolarHBondContact O-CB 3.47Å; F350-L353 PolarHBondContact O-N 3.5Å; L351-L353 VanDerWaalsContact C-N 3.27Å; L351-L353 PolarHBondContact O-N 3.09Å; L353-C356 PolarHBondContact O-N 3.45Å; L353-A357 VanDerWaalsContact O-CB 3.29Å; L353-A357 WeakPolarHBondContact O-CB 3.42Å; L353-A357 PolarHBondContact O-N 3.35Å; L353-A393 HydrophobicContact CB-CB 4.39Å; L353-L396 HydrophobicContact CD2-CB 4.04Å; L353-Q397 HydrophobicContact CD1-CB 3.67Å; L353-Q397 HydrophobicContact CD1-CG 3.75Å
354V98.1Very high96.5Very high0 Ų031.4 Ų31.40%015%0.145CC..Hα-helixtrans-59.7-48.3171.8-178.80000110.3L325 L341 F350 L351 C356 A357 M358 I389 L390 A393L325-V354 HydrophobicContact CD1-CB 4.37Å; L325-V354 HydrophobicContact CD1-CG1 3.57Å; L341-V354 HydrophobicContact CD2-CG2 4.29Å; F350-V354 HydrophobicContact CD1-CG2 4.26Å; F350-V354 HydrophobicContact CE1-CG2 3.96Å; F350-V354 HydrophobicContact CZ-CG2 4.19Å; F350-V354 WeakPolarHBondContact O-CG2 3.3Å; F350-V354 PolarHBondContact O-N 2.98Å; L351-V354 WeakPolarHBondContact O-CB 3.44Å; L351-V354 PolarHBondContact O-N 3.09Å; L351-V354 VanDerWaalsContact O-N 3.17Å; V354-C356 VanDerWaalsContact C-N 3.34Å; V354-C356 PolarHBondContact O-N 3.06Å; V354-A357 WeakPolarHBondContact O-CB 3.39Å; V354-A357 PolarHBondContact O-N 3.02Å; V354-M358 HydrophobicContact CG1-SD 4.4Å; V354-M358 VanDerWaalsContact O-CG 3.31Å; V354-M358 WeakPolarHBondContact O-CG 3.25Å; V354-M358 PolarHBondContact O-N 3.22Å; V354-I389 HydrophobicContact CG1-CG2 3.73Å; V354-L390 HydrophobicContact CG2-CD2 4.28Å; V354-A393 HydrophobicContact CB-CB 4.42Å; V354-A393 HydrophobicContact CG2-CB 3.9Å
355C97.7Very high96.5Very high0 Ų033.3 Ų33.30%016%0.16CC..Hα-helixtrans-60.8-40.3176.4-65.20000112.7V291 W320 L351 L352 M358 L359V291-C355 HydrophobicContact CG1-CB 4.07Å; V291-C355 HydrophobicContact CG2-CB 4.1Å; W320-C355 HydrophobicContact CE3-CB 3.94Å; W320-C355 HydrophobicContact CZ3-CB 4.38Å; L351-C355 PolarHBondContact O-N 3.06Å; L351-C355 PolarHBondContact O-SG 3.33Å; L351-C355 VanDerWaalsContact O-SG 3.36Å; L352-C355 PolarHBondContact O-N 3.2Å; C355-M358 WeakPolarHBondContact O-CB 3.44Å; C355-M358 PolarHBondContact O-N 3.12Å; C355-L359 PolarHBondContact O-N 3.1Å
356C97.6Very high96.7Very high1 Ų124.9 Ų24.91%0.00713%0.128CC..Hα-helixtrans-67-41.1175.7-171.70000111.8M294 L352 L353 V354 M358 L359 I360 L396M294-C356 HydrophobicContact CB-CB 4.47Å; M294-C356 HydrophobicContact CE-CB 4.36Å; L352-C356 PolarHBondContact O-N 3.14Å; L353-C356 PolarHBondContact O-N 3.45Å; V354-C356 VanDerWaalsContact C-N 3.34Å; V354-C356 PolarHBondContact O-N 3.06Å; C356-M358 VanDerWaalsContact C-N 3.3Å; C356-M358 PolarHBondContact O-N 3.19Å; C356-L359 PolarHBondContact O-N 3.4Å; C356-I360 WeakPolarHBondContact O-CG1 3.48Å; C356-I360 PolarHBondContact O-N 2.89Å; C356-I360 VanDerWaalsContact O-N 3.14Å; C356-L396 HydrophobicContact CB-CD1 4.2Å
357A97.8Very high97Very high0 Ų022.7 Ų22.70%012%0.116CC..Hα-helixtrans-61.1-41.1174.700000111.4L353 V354 L359 I360 L361 I389 K392 A393 L396L353-A357 VanDerWaalsContact O-CB 3.29Å; L353-A357 WeakPolarHBondContact O-CB 3.42Å; L353-A357 PolarHBondContact O-N 3.35Å; V354-A357 WeakPolarHBondContact O-CB 3.39Å; V354-A357 PolarHBondContact O-N 3.02Å; A357-L359 VanDerWaalsContact C-N 3.29Å; A357-L359 PolarHBondContact O-N 3.2Å; A357-I360 PolarHBondContact O-N 3.39Å; A357-L361 VanDerWaalsContact O-CG 3.29Å; A357-L361 WeakPolarHBondContact O-CG 3.31Å; A357-L361 PolarHBondContact O-N 2.83Å; A357-I389 HydrophobicContact CB-CG2 4.45Å; A357-K392 HydrophobicContact CB-CB 3.89Å; A357-K392 HydrophobicContact CB-CG 3.77Å; A357-A393 HydrophobicContact CB-CB 3.98Å; A357-L396 HydrophobicContact CB-CD1 4.03Å
358M97.8Very high97.1Very high0 Ų026.8 Ų26.80%015%0.147CC..Hα-helixtrans-56.3-43.5176.3-74.8171.667.600111.9W320 L325 E328 F329 V354 C355 C356 Y381 I389W320-M358 HydrophobicContact CD2-CE 4.25Å; W320-M358 HydrophobicContact CE3-CE 4.32Å; W320-M358 HydrophobicContact CE3-SD 4.43Å; W320-M358 HydrophobicContact CH2-CB 4.26Å; W320-M358 HydrophobicContact CH2-CE 3.86Å; W320-M358 HydrophobicContact CZ2-CE 3.76Å; W320-M358 HydrophobicContact CZ3-CB 4.16Å; W320-M358 HydrophobicContact CZ3-CE 4.13Å; W320-M358 HydrophobicContact CZ3-SD 4.38Å; L325-M358 HydrophobicContact CD1-SD 4.05Å; L325-M358 HydrophobicContact CD2-CE 4.14Å; L325-M358 HydrophobicContact CD2-SD 3.69Å; E328-M358 HydrophobicContact CG-CE 4.43Å; F329-M358 HydrophobicContact CE2-CE 4.07Å; F329-M358 HydrophobicContact CE2-SD 4.2Å; F329-M358 HydrophobicContact CZ-CE 3.85Å; F329-M358 HydrophobicContact CZ-SD 4.16Å; V354-M358 HydrophobicContact CG1-SD 4.4Å; V354-M358 VanDerWaalsContact O-CG 3.31Å; V354-M358 WeakPolarHBondContact O-CG 3.25Å; V354-M358 PolarHBondContact O-N 3.22Å; C355-M358 WeakPolarHBondContact O-CB 3.44Å; C355-M358 PolarHBondContact O-N 3.12Å; C356-M358 VanDerWaalsContact C-N 3.3Å; C356-M358 PolarHBondContact O-N 3.19Å; M358-Y381 WeakPolarHBondContact CA-OH 3.42Å; M358-Y381 HydrophobicContact CB-CE1 4.41Å; M358-Y381 HydrophobicContact CB-CE2 3.75Å; M358-Y381 HydrophobicContact CE-CD1 3.75Å; M358-Y381 HydrophobicContact CE-CD2 3.77Å; M358-Y381 HydrophobicContact CE-CE1 3.93Å; M358-Y381 HydrophobicContact CE-CE2 3.99Å; M358-Y381 HydrophobicContact CE-CG 3.66Å; M358-Y381 HydrophobicContact CG-CE1 4.12Å; M358-Y381 HydrophobicContact CG-CE2 4.31Å; M358-Y381 WeakPolarHBondContact O-CE2 3.45Å; M358-Y381 PolarHBondContact O-OH 3.15Å; M358-I389 HydrophobicContact CG-CD1 4.21Å; M358-I389 HydrophobicContact CG-CG2 3.56Å
359L97.4Very high97.1Very high0 Ų026.3 Ų26.30%015%0.148CC..Hα-helixtrans-64.1-47.3177.1-67.5171.7000112.3V291 L295 L302 F316 W320 C355 C356 A357 L361 I362 R363 L366 L378V291-L359 HydrophobicContact CG1-CD1 4.05Å; L295-L359 HydrophobicContact CD1-CB 4.15Å; L295-L359 HydrophobicContact CD1-CD1 4.43Å; L295-L359 HydrophobicContact CD2-CD1 4.11Å; L302-L359 HydrophobicContact CD2-CB 4.49Å; F316-L359 HydrophobicContact CE2-CD1 4.28Å; F316-L359 HydrophobicContact CE2-CD2 3.79Å; F316-L359 HydrophobicContact CE2-CG 4.42Å; F316-L359 HydrophobicContact CZ-CD1 4.3Å; F316-L359 HydrophobicContact CZ-CD2 3.96Å; W320-L359 HydrophobicContact CH2-CD2 4.27Å; W320-L359 HydrophobicContact CZ3-CD2 4.38Å; W320-L359 HydrophobicContact CZ3-CG 4.34Å; C355-L359 PolarHBondContact O-N 3.1Å; C356-L359 PolarHBondContact O-N 3.4Å; A357-L359 VanDerWaalsContact C-N 3.29Å; A357-L359 PolarHBondContact O-N 3.2Å; L359-L361 VanDerWaalsContact C-N 3.29Å; L359-L361 PolarHBondContact O-N 3.4Å; L359-I362 WeakPolarHBondContact O-CG1 3.43Å; L359-I362 PolarHBondContact O-N 3.15Å; L359-R363 PolarHBondContact O-N 3.12Å; L359-L366 HydrophobicContact CD2-CD1 4.32Å; L359-L378 HydrophobicContact CD2-CD2 3.28Å
360I97.1Very high97.2Very high29 Ų2928.5 Ų28.515%0.14916%0.161CC..Hα-helixtrans-63.8-35.9-178.5-68.4169.4000111.3L295 K298 D299 C356 A357 I362 R363 L396L295-I360 HydrophobicContact CD1-CG1 4.16Å; K298-I360 HydrophobicContact CB-CD1 4.14Å; D299-I360 HydrophobicContact CB-CG1 4.29Å; C356-I360 WeakPolarHBondContact O-CG1 3.48Å; C356-I360 PolarHBondContact O-N 2.89Å; C356-I360 VanDerWaalsContact O-N 3.14Å; A357-I360 PolarHBondContact O-N 3.39Å; I360-I362 VanDerWaalsContact C-N 3.27Å; I360-I362 PolarHBondContact O-N 2.95Å; I360-R363 WeakPolarHBondContact O-CB 3.46Å; I360-R363 PolarHBondContact O-N 2.98Å; I360-L396 HydrophobicContact CD1-CD1 4.1Å; I360-L396 HydrophobicContact CD1-CD2 4.1Å
361L97.4Very high97.1Very high47 Ų4732.8 Ų32.825%0.24618%0.18CC..Hα-helixtrans-69.4-23.8-179.1-72.7171.8000113.8A357 L359 I383 L388 I389 K392A357-L361 VanDerWaalsContact O-CG 3.29Å; A357-L361 WeakPolarHBondContact O-CG 3.31Å; A357-L361 PolarHBondContact O-N 2.83Å; L359-L361 VanDerWaalsContact C-N 3.29Å; L359-L361 PolarHBondContact O-N 3.4Å; L361-I383 HydrophobicContact CB-CD1 3.54Å; L361-I383 HydrophobicContact CD1-CD1 4.43Å; L361-L388 HydrophobicContact CD1-CD2 4.37Å; L361-L388 HydrophobicContact CD1-CG 3.96Å; L361-L388 HydrophobicContact CD2-CD1 4.15Å; L361-L388 HydrophobicContact CD2-CD2 3.96Å; L361-L388 HydrophobicContact CD2-CG 3.78Å; L361-I389 HydrophobicContact CD1-CB 4.17Å; L361-I389 HydrophobicContact CD1-CG1 3.81Å; L361-K392 HydrophobicContact CD1-CB 4.22Å; L361-K392 HydrophobicContact CD2-CB 4.35Å; L361-K392 HydrophobicContact CD2-CG 4.26Å; L361-K392 HydrophobicContact CG-CB 4.36Å; L361-K392 HydrophobicContact CG-CG 4.21Å
362I96.9Very high97.1Very high8 Ų836.7 Ų36.74%0.04120%0.204CC..THydrogen-bonded Turntrans-104.414.3175.864.9167.8000112.6L359 I360 D364 S365 L366 L377 L378 Y381 P382 I383L359-I362 WeakPolarHBondContact O-CG1 3.43Å; L359-I362 PolarHBondContact O-N 3.15Å; I360-I362 VanDerWaalsContact C-N 3.27Å; I360-I362 PolarHBondContact O-N 2.95Å; I362-D364 PolarHBondContact O-N 3.33Å; I362-S365 WeakPolarHBondContact O-CB 3.22Å; I362-S365 PolarHBondContact O-N 3.13Å; I362-S365 VanDerWaalsContact O-N 3.1Å; I362-L366 HydrophobicContact CD1-CD1 3.84Å; I362-L366 HydrophobicContact CD1-CD2 4.13Å; I362-L366 HydrophobicContact CD1-CG 3.97Å; I362-L366 HydrophobicContact CG1-CD1 3.69Å; I362-L366 HydrophobicContact CG1-CG 3.94Å; I362-L366 PolarHBondContact O-N 3.41Å; I362-L377 HydrophobicContact CD1-CB 4.47Å; I362-L378 HydrophobicContact CD1-CD2 4.19Å; I362-Y381 HydrophobicContact CD1-CD2 4.25Å; I362-Y381 HydrophobicContact CD1-CE2 3.89Å; I362-Y381 HydrophobicContact CG1-CE2 4.24Å; I362-Y381 HydrophobicContact CG2-CE2 3.82Å; I362-P382 HydrophobicContact CG2-CG 3.72Å; I362-I383 HydrophobicContact CG2-CD1 3.74Å; I362-I383 HydrophobicContact CG2-CG1 3.98Å
363R97.1Very high97Very high72 Ų7239.4 Ų39.427%0.27222%0.221SC..Hα-helixtrans-46.3-53.6-175.7173.8-172.8-143.7-111.9-4113.6D299 E301 L302 L359 I360 S365 L366 L367D299-R363 VanDerWaalsContact CG-NE 3.25Å; D299-R363 IonicContact OD1-CZ 2.94Å; D299-R363 IonicContact OD1-NE 3.32Å; D299-R363 PolarHBondContact OD1-NE 2.78Å; D299-R363 VanDerWaalsContact OD1-NE 3.16Å; D299-R363 IonicContact OD1-NH2 3.4Å; D299-R363 PolarHBondContact OD1-NH2 3.34Å; D299-R363 VanDerWaalsContact OD2-CD 3.29Å; D299-R363 WeakPolarHBondContact OD2-CD 3.42Å; D299-R363 IonicContact OD2-CZ 2.64Å; D299-R363 IonicContact OD2-NE 2.8Å; D299-R363 PolarHBondContact OD2-NE 3.19Å; D299-R363 IonicContact OD2-NH2 3.34Å; E301-R363 IonicContact OE2-CZ 3.61Å; E301-R363 IonicContact OE2-NH1 2.7Å; E301-R363 PolarHBondContact OE2-NH1 3.27Å; E301-R363 IonicContact OE2-NH2 3.76Å; E301-R363 PolarHBondContact OE2-NH2 3.41Å; L302-R363 HydrophobicContact CD2-CB 4.11Å; L302-R363 HydrophobicContact CD2-CG 4.25Å; L359-R363 PolarHBondContact O-N 3.12Å; I360-R363 WeakPolarHBondContact O-CB 3.46Å; I360-R363 PolarHBondContact O-N 2.98Å; R363-S365 PolarHBondContact O-N 3.28Å; R363-L366 PolarHBondContact O-N 3.02Å; R363-L367 HydrophobicContact CG-CD1 3.74Å; R363-L367 HydrophobicContact CG-CG 4.15Å; R363-L367 WeakPolarHBondContact O-CG 3.37Å; R363-L367 PolarHBondContact O-N 2.75Å
364D97.1Very high97Very high124 Ų12439 Ų3966%0.66322%0.219SC*.Hα-helixtrans-62.5-34.2-173.7-62.1-32.2000112I362 S368I362-D364 PolarHBondContact O-N 3.33Å; D364-S368 WeakPolarHBondContact O-CB 3.44Å; D364-S368 PolarHBondContact O-N 2.69Å; D364-S368 PolarHBondContact O-OG 3.31Å
365S96.9Very high96.9Very high58 Ų5840 Ų4041%0.40622%0.223SC..Hα-helixtrans-70.7-40.4174.2-60.40000111.4I362 R363 S368 G369I362-S365 WeakPolarHBondContact O-CB 3.22Å; I362-S365 PolarHBondContact O-N 3.13Å; I362-S365 VanDerWaalsContact O-N 3.1Å; R363-S365 PolarHBondContact O-N 3.28Å; S365-S368 PolarHBondContact O-OG 3.05Å; S365-G369 PolarHBondContact O-N 2.71Å
366L97.1Very high96.8Very high0 Ų047.7 Ų47.70%025%0.253CS..Hα-helixtrans-69-38.1178.2-67.3177.8000113.1L302 K305 L359 I362 R363 N374 L377 L378L302-L366 HydrophobicContact CD1-CB 3.55Å; L302-L366 HydrophobicContact CD1-CD1 3.88Å; L302-L366 HydrophobicContact CD1-CG 4.38Å; L302-L366 HydrophobicContact CD2-CD1 4.21Å; K305-L366 WeakPolarHBondContact CE-O 3.42Å; L359-L366 HydrophobicContact CD2-CD1 4.32Å; I362-L366 HydrophobicContact CD1-CD1 3.84Å; I362-L366 HydrophobicContact CD1-CD2 4.13Å; I362-L366 HydrophobicContact CD1-CG 3.97Å; I362-L366 HydrophobicContact CG1-CD1 3.69Å; I362-L366 HydrophobicContact CG1-CG 3.94Å; I362-L366 PolarHBondContact O-N 3.41Å; R363-L366 PolarHBondContact O-N 3.02Å; L366-N374 WeakPolarHBondContact CA-OD1 3.38Å; L366-N374 HydrophobicContact CD2-CB 3.8Å; L366-N374 PolarHBondContact O-ND2 3.42Å; L366-N374 PolarHBondContact O-OD1 3.32Å; L366-L377 HydrophobicContact CD2-CB 4.47Å; L366-L377 HydrophobicContact CD2-CD1 4.4Å; L366-L378 HydrophobicContact CD1-CD2 4.4Å; L366-L378 HydrophobicContact CD2-CD2 4.44Å; L366-L378 HydrophobicContact CD2-CG 4.3Å
367L97.6Very high96.7Very high39 Ų3949.4 Ų49.420%0.20426%0.261CS..Hα-helixtrans-66.9-39.8178-70.3178.7000111.8E301 L302 K305 R363E301-L367 HydrophobicContact CG-CD1 4.49Å; E301-L367 HydrophobicContact CG-CD2 4.04Å; L302-L367 HydrophobicContact CB-CD2 4.47Å; L302-L367 HydrophobicContact CD1-CD2 4.2Å; L302-L367 HydrophobicContact CD1-CG 4.44Å; K305-L367 HydrophobicContact CB-CD2 3.83Å; K305-L367 WeakPolarHBondContact CE-O 3.38Å; K305-L367 HydrophobicContact CG-CD2 4.09Å; K305-L367 PolarHBondContact NZ-O 2.83Å; R363-L367 HydrophobicContact CG-CD1 3.74Å; R363-L367 HydrophobicContact CG-CG 4.15Å; R363-L367 WeakPolarHBondContact O-CG 3.37Å; R363-L367 PolarHBondContact O-N 2.75Å
368S97.1Very high96.6Very high100 Ų10049.4 Ų49.470%0.69926%0.261SS*.Hα-helixtrans-79.2-26.9178.657.50000113.7D364 S365D364-S368 WeakPolarHBondContact O-CB 3.44Å; D364-S368 PolarHBondContact O-N 2.69Å; D364-S368 PolarHBondContact O-OG 3.31Å; S365-S368 PolarHBondContact O-OG 3.05Å
369G95.6Very high96.4Very high10 Ų1053.5 Ų53.510%0.10328%0.281CS..  trans-75.6162.6-176.900000115.6K305 Q309 S365 N374K305-G369 VanDerWaalsContact CE-O 3.28Å; K305-G369 WeakPolarHBondContact CE-O 3.42Å; K305-G369 PolarHBondContact NZ-O 3.42Å; Q309-G369 PolarHBondContact NE2-O 3.36Å; S365-G369 PolarHBondContact O-N 2.71Å; G369-N374 WeakPolarHBondContact CA-OD1 3.41Å
370D95.9Very high96.2Very high87 Ų8759 Ų5947%0.46531%0.31SS..  trans-94.3178.3168.469.3-1.4000111.4Q309 T372 T373 N374Q309-D370 VanDerWaalsContact NE2-C 3.3Å; Q309-D370 VanDerWaalsContact NE2-CA 3.31Å; D370-T372 VanDerWaalsContact C-N 3.32Å; D370-T372 PolarHBondContact O-N 3.47Å; D370-T372 PolarHBondContact OD1-N 2.92Å; D370-T373 PolarHBondContact O-N 2.84Å; D370-T373 WeakPolarHBondContact OD1-CB 3.31Å; D370-T373 PolarHBondContact OD1-N 3.42Å; D370-T373 PolarHBondContact OD1-OG1 3.02Å; D370-N374 VanDerWaalsContact O-CB 3.27Å; D370-N374 WeakPolarHBondContact O-CB 3.46Å; D370-N374 VanDerWaalsContact O-CG 3.23Å; D370-N374 PolarHBondContact O-N 2.87Å
371F96.1Very high96.1Very high91 Ų9158.6 Ų58.640%0.39931%0.307SS..Hα-helixtrans-53.6-47.4-178.4172.2-94.8000112.5Q309 I311 M375Q309-F371 HydrophobicContact CB-CB 4.49Å; Q309-F371 HydrophobicContact CB-CD2 4.45Å; Q309-F371 VanDerWaalsContact O-CD2 3.29Å; Q309-F371 WeakPolarHBondContact O-CD2 3.27Å; I311-F371 HydrophobicContact CD1-CD2 4.3Å; I311-F371 HydrophobicContact CG1-CD2 3.63Å; I311-F371 HydrophobicContact CG1-CE2 3.87Å; F371-M375 VanDerWaalsContact O-CB 3.31Å; F371-M375 WeakPolarHBondContact O-CB 3.09Å; F371-M375 PolarHBondContact O-N 3.48Å
372T96Very high95.7Very high86 Ų8659.9 Ų59.953%0.52832%0.318SS..Hα-helixtrans-67.9-43.4-176-600000111.9D370 R376D370-T372 VanDerWaalsContact C-N 3.32Å; D370-T372 PolarHBondContact O-N 3.47Å; D370-T372 PolarHBondContact OD1-N 2.92Å; T372-R376 PolarHBondContact O-N 3.24Å; T372-R376 VanDerWaalsContact O-N 3.12Å
373T96.2Very high95.2Very high68 Ų6861.2 Ų61.242%0.41733%0.325SS..Hα-helixtrans-64.2-46.1178-54.80000110.7D370 R376 L377D370-T373 PolarHBondContact O-N 2.84Å; D370-T373 WeakPolarHBondContact OD1-CB 3.31Å; D370-T373 PolarHBondContact OD1-N 3.42Å; D370-T373 PolarHBondContact OD1-OG1 3.02Å; T373-R376 PolarHBondContact O-N 2.9Å; T373-L377 HydrophobicContact CG2-CD1 4.25Å; T373-L377 WeakPolarHBondContact O-CG 3.4Å; T373-L377 PolarHBondContact O-N 3.01Å
374N97.2Very high94.5Very high0 Ų062.2 Ų62.20%034%0.343CS..Hα-helixtrans-66.1-41.4-179.6-71.8-5.4000112.1Q309 I311 L366 G369 D370 R376 L377 L378Q309-N374 PolarHBondContact OE1-ND2 3.49Å; I311-N374 HydrophobicContact CD1-CB 3.64Å; L366-N374 WeakPolarHBondContact CA-OD1 3.38Å; L366-N374 HydrophobicContact CD2-CB 3.8Å; L366-N374 PolarHBondContact O-ND2 3.42Å; L366-N374 PolarHBondContact O-OD1 3.32Å; G369-N374 WeakPolarHBondContact CA-OD1 3.41Å; D370-N374 VanDerWaalsContact O-CB 3.27Å; D370-N374 WeakPolarHBondContact O-CB 3.46Å; D370-N374 VanDerWaalsContact O-CG 3.23Å; D370-N374 PolarHBondContact O-N 2.87Å; N374-R376 VanDerWaalsContact C-N 3.31Å; N374-R376 PolarHBondContact O-N 3.2Å; N374-L377 PolarHBondContact O-N 3.26Å; N374-L378 WeakPolarHBondContact O-CB 3.13Å; N374-L378 VanDerWaalsContact O-CG 3.23Å; N374-L378 WeakPolarHBondContact O-CG 3.39Å; N374-L378 PolarHBondContact O-N 3.08Å
375M96Very high94.2Very high19 Ų1960.5 Ų60.59%0.09433%0.334CS..Hα-helixtrans-62.1-40.9176.4-165.368.6-103.800111.5Y315 F316 F371 L378 Q379Y315-M375 HydrophobicContact CD2-SD 4.07Å; Y315-M375 HydrophobicContact CG-SD 4.31Å; F316-M375 HydrophobicContact CB-CE 3.97Å; F316-M375 HydrophobicContact CD1-CE 4.3Å; F371-M375 VanDerWaalsContact O-CB 3.31Å; F371-M375 WeakPolarHBondContact O-CB 3.09Å; F371-M375 PolarHBondContact O-N 3.48Å; M375-L378 HydrophobicContact CE-CB 4.06Å; M375-L378 PolarHBondContact O-N 2.68Å; M375-Q379 HydrophobicContact CE-CG 3.58Å; M375-Q379 WeakPolarHBondContact O-CB 3.36Å; M375-Q379 WeakPolarHBondContact O-CG 3.14Å; M375-Q379 PolarHBondContact O-N 2.85Å
376R95.6Very high94.2Very high162 Ų16258.1 Ų58.161%0.61132%0.317SS*.Hα-helixtrans-62.9-46.8174.6-173-178.1-65.7162.20.6111.5T372 T373 N374 L378 Q379 D380T372-R376 PolarHBondContact O-N 3.24Å; T372-R376 VanDerWaalsContact O-N 3.12Å; T373-R376 PolarHBondContact O-N 2.9Å; N374-R376 VanDerWaalsContact C-N 3.31Å; N374-R376 PolarHBondContact O-N 3.2Å; R376-L378 PolarHBondContact O-N 3.13Å; R376-Q379 PolarHBondContact O-N 3.22Å; R376-D380 WeakPolarHBondContact O-CB 3.46Å; R376-D380 PolarHBondContact O-N 3.19Å
377L95.5Very high94Very high37 Ų3763.4 Ų63.419%0.19434%0.341CS..Hα-helixtrans-60-32.9178-73.1171.2000113.2I362 L366 T373 N374 D380 Y381 P382I362-L377 HydrophobicContact CD1-CB 4.47Å; L366-L377 HydrophobicContact CD2-CB 4.47Å; L366-L377 HydrophobicContact CD2-CD1 4.4Å; T373-L377 HydrophobicContact CG2-CD1 4.25Å; T373-L377 WeakPolarHBondContact O-CG 3.4Å; T373-L377 PolarHBondContact O-N 3.01Å; N374-L377 PolarHBondContact O-N 3.26Å; L377-D380 CarbonylContact O-C 3.58Å; L377-Y381 WeakPolarHBondContact O-CA 3.29Å; L377-P382 HydrophobicContact CD2-CB 4.49Å; L377-P382 HydrophobicContact CD2-CG 4.15Å
378L95.3Very high94Very high0 Ų065.5 Ų65.50%035%0.352CS..Hα-helixtrans-80.5-26178.7-67.2169.6000113I311 F316 W320 L359 I362 L366 N374 M375 R376I311-L378 HydrophobicContact CG2-CD1 3.96Å; F316-L378 HydrophobicContact CB-CB 4.01Å; F316-L378 HydrophobicContact CD1-CB 4.35Å; F316-L378 HydrophobicContact CD1-CD1 3.9Å; F316-L378 HydrophobicContact CD2-CB 4.3Å; F316-L378 HydrophobicContact CD2-CD2 4.17Å; F316-L378 HydrophobicContact CE1-CD1 3.85Å; F316-L378 HydrophobicContact CE2-CD2 4.03Å; F316-L378 HydrophobicContact CG-CB 3.98Å; F316-L378 HydrophobicContact CG-CD1 4.3Å; F316-L378 HydrophobicContact CZ-CD1 4.19Å; F316-L378 HydrophobicContact CZ-CD2 4.26Å; W320-L378 HydrophobicContact CH2-CD2 4.12Å; W320-L378 VanDerWaalsContact CZ2-O 3.23Å; W320-L378 WeakPolarHBondContact CZ2-O 3.23Å; L359-L378 HydrophobicContact CD2-CD2 3.28Å; I362-L378 HydrophobicContact CD1-CD2 4.19Å; L366-L378 HydrophobicContact CD1-CD2 4.4Å; L366-L378 HydrophobicContact CD2-CD2 4.44Å; L366-L378 HydrophobicContact CD2-CG 4.3Å; N374-L378 WeakPolarHBondContact O-CB 3.13Å; N374-L378 VanDerWaalsContact O-CG 3.23Å; N374-L378 WeakPolarHBondContact O-CG 3.39Å; N374-L378 PolarHBondContact O-N 3.08Å; M375-L378 HydrophobicContact CE-CB 4.06Å; M375-L378 PolarHBondContact O-N 2.68Å; R376-L378 PolarHBondContact O-N 3.13Å
379Q93.3Very high94Very high87 Ų8760.7 Ų60.741%0.40732%0.319SS..Hα-helixtrans-89.4-31.6176.8-71.2176.5-24.400112.3Y315 R319 M375 R376Y315-Q379 PolarHBondContact O-NE2 3.14Å; R319-Q379 PolarHBondContact NH2-O 2.89Å; M375-Q379 HydrophobicContact CE-CG 3.58Å; M375-Q379 WeakPolarHBondContact O-CB 3.36Å; M375-Q379 WeakPolarHBondContact O-CG 3.14Å; M375-Q379 PolarHBondContact O-N 2.85Å; R376-Q379 PolarHBondContact O-N 3.22Å
380D92.9Very high94.1Very high114 Ų11460.4 Ų60.461%0.6132%0.315SS*.SBendtrans-11977.9177.5-59.1-34.8000108.6R376 L377R376-D380 WeakPolarHBondContact O-CB 3.46Å; R376-D380 PolarHBondContact O-N 3.19Å; L377-D380 CarbonylContact O-C 3.58Å
381Y94.6Very high94.1Very high22 Ų2259 Ų599%0.08631%0.309CS..  trans-62.3127.1-171-168.1-108.4000112.1W320 F329 M358 I362 L377 I383 I389W320-Y381 HydrophobicContact CH2-CD2 4.45Å; W320-Y381 HydrophobicContact CZ2-CD2 4.33Å; F329-Y381 AromaticContact CE1-CD1 3.97Å; F329-Y381 HydrophobicContact CE1-CD1 3.97Å; F329-Y381 HydrophobicContact CE1-CE1 4.33Å; F329-Y381 AromaticContact CZ-CD1 3.92Å; F329-Y381 HydrophobicContact CZ-CD1 3.92Å; F329-Y381 HydrophobicContact CZ-CE1 4.17Å; M358-Y381 WeakPolarHBondContact CA-OH 3.42Å; M358-Y381 HydrophobicContact CB-CE1 4.41Å; M358-Y381 HydrophobicContact CB-CE2 3.75Å; M358-Y381 HydrophobicContact CE-CD1 3.75Å; M358-Y381 HydrophobicContact CE-CD2 3.77Å; M358-Y381 HydrophobicContact CE-CE1 3.93Å; M358-Y381 HydrophobicContact CE-CE2 3.99Å; M358-Y381 HydrophobicContact CE-CG 3.66Å; M358-Y381 HydrophobicContact CG-CE1 4.12Å; M358-Y381 HydrophobicContact CG-CE2 4.31Å; M358-Y381 WeakPolarHBondContact O-CE2 3.45Å; M358-Y381 PolarHBondContact O-OH 3.15Å; I362-Y381 HydrophobicContact CD1-CD2 4.25Å; I362-Y381 HydrophobicContact CD1-CE2 3.89Å; I362-Y381 HydrophobicContact CG1-CE2 4.24Å; I362-Y381 HydrophobicContact CG2-CE2 3.82Å; L377-Y381 WeakPolarHBondContact O-CA 3.29Å; Y381-I383 HydrophobicContact CD1-CB 4.3Å; Y381-I383 HydrophobicContact CE1-CB 3.61Å; Y381-I383 HydrophobicContact CE1-CG1 4.27Å; Y381-I389 HydrophobicContact CE1-CD1 3.7Å
382P90.3Very high94.2Very high73 Ų7357.3 Ų57.347%0.47430%0.301SS..  trans-86.6-16-166.132.9-38000115I362 L377I362-P382 HydrophobicContact CG2-CG 3.72Å; L377-P382 HydrophobicContact CD2-CB 4.49Å; L377-P382 HydrophobicContact CD2-CG 4.15Å
383I85.6Confident94.2Very high36 Ų3653.2 Ų53.219%0.18528%0.276CS..  trans-91.2120.1-175.9-59.9-179.8000109.4L361 I362 Y381 I389L361-I383 HydrophobicContact CB-CD1 3.54Å; L361-I383 HydrophobicContact CD1-CD1 4.43Å; I362-I383 HydrophobicContact CG2-CD1 3.74Å; I362-I383 HydrophobicContact CG2-CG1 3.98Å; Y381-I383 HydrophobicContact CD1-CB 4.3Å; Y381-I383 HydrophobicContact CE1-CB 3.61Å; Y381-I383 HydrophobicContact CE1-CG1 4.27Å; I383-I389 HydrophobicContact CG2-CD1 4.48Å; I383-I389 HydrophobicContact CG2-CG1 4.4Å
384S82.4Confident94.2Very high93 Ų9353 Ų5365%0.6527%0.27SS*.  trans-90.1-22.7175.661.10000113.7V386S384-V386 PolarHBondContact O-N 3.31Å
385D91.9Very high94.1Very high89 Ų8956.7 Ų56.748%0.47629%0.287SS..  trans-78.792.3-179.6-172.8-3.9000111.3H387 L388D385-H387 PolarHBondContact O-N 3.31Å; D385-H387 VanDerWaalsContact OD1-CB 3.27Å; D385-H387 WeakPolarHBondContact OD1-CB 3.47Å; D385-H387 PolarHBondContact OD1-N 3.01Å; D385-L388 HydrophobicContact CB-CB 4.49Å; D385-L388 WeakPolarHBondContact O-CB 3.39Å; D385-L388 PolarHBondContact O-N 3.29Å
386V95Very high94Very high8 Ų856.4 Ų56.45%0.04829%0.286CS..Hα-helixtrans-63.6-21.6177.6-63.40000113.6F329 D333 R336 I337 S384 L388 I389 L390F329-V386 HydrophobicContact CD1-CG1 3.76Å; F329-V386 HydrophobicContact CE1-CG1 3.96Å; F329-V386 HydrophobicContact CG-CG1 4.24Å; D333-V386 HydrophobicContact CB-CG1 3.68Å; D333-V386 HydrophobicContact CB-CG2 4.43Å; R336-V386 HydrophobicContact CB-CG2 4.22Å; R336-V386 HydrophobicContact CG-CG2 3.81Å; I337-V386 HydrophobicContact CD1-CB 4.26Å; I337-V386 HydrophobicContact CD1-CG1 3.72Å; I337-V386 HydrophobicContact CG1-CB 4.02Å; I337-V386 HydrophobicContact CG1-CG1 4Å; S384-V386 PolarHBondContact O-N 3.31Å; V386-L388 VanDerWaalsContact C-N 3.33Å; V386-I389 PolarHBondContact O-N 2.84Å; V386-L390 WeakPolarHBondContact O-CB 3.34Å; V386-L390 VanDerWaalsContact O-CG 3.27Å; V386-L390 WeakPolarHBondContact O-CG 2.97Å; V386-L390 PolarHBondContact O-N 3.13Å
387H94.9Very high93.9Very high111 Ų11150.4 Ų50.451%0.51427%0.265SS..Hα-helixtrans-68.5-36.7178.5-173.737.5000111.4D385 I389 L390 T391D385-H387 PolarHBondContact O-N 3.31Å; D385-H387 VanDerWaalsContact OD1-CB 3.27Å; D385-H387 WeakPolarHBondContact OD1-CB 3.47Å; D385-H387 PolarHBondContact OD1-N 3.01Å; H387-I389 VanDerWaalsContact C-N 3.34Å; H387-L390 PolarHBondContact O-N 2.75Å; H387-T391 PolarHBondContact CE1-OG1 3.14Å; H387-T391 VanDerWaalsContact O-CB 3.32Å; H387-T391 WeakPolarHBondContact O-CB 3.16Å; H387-T391 PolarHBondContact O-N 3.13Å; H387-T391 PolarHBondContact O-OG1 3.25Å
388L96.2Very high93.5Very high82 Ų8254.9 Ų54.943%0.42929%0.285SS..Hα-helixtrans-61.2-44.3173.5-178.562.7000111L361 D385 V386 K392L361-L388 HydrophobicContact CD1-CD2 4.37Å; L361-L388 HydrophobicContact CD1-CG 3.96Å; L361-L388 HydrophobicContact CD2-CD1 4.15Å; L361-L388 HydrophobicContact CD2-CD2 3.96Å; L361-L388 HydrophobicContact CD2-CG 3.78Å; D385-L388 HydrophobicContact CB-CB 4.49Å; D385-L388 WeakPolarHBondContact O-CB 3.39Å; D385-L388 PolarHBondContact O-N 3.29Å; V386-L388 VanDerWaalsContact C-N 3.33Å; L388-K392 WeakPolarHBondContact O-CB 3.44Å; L388-K392 PolarHBondContact O-N 2.89Å
389I97.6Very high92.5Very high0 Ų060.1 Ų60.10%031%0.313CS..Hα-helixtrans-62.5-48.9178.7-52.4173.7000110.8F329 V354 A357 M358 L361 Y381 I383 V386 H387 K392 A393F329-I389 HydrophobicContact CE1-CD1 3.64Å; F329-I389 HydrophobicContact CZ-CD1 3.46Å; F329-I389 VanDerWaalsContact CZ-CD1 3.46Å; V354-I389 HydrophobicContact CG1-CG2 3.73Å; A357-I389 HydrophobicContact CB-CG2 4.45Å; M358-I389 HydrophobicContact CG-CD1 4.21Å; M358-I389 HydrophobicContact CG-CG2 3.56Å; L361-I389 HydrophobicContact CD1-CB 4.17Å; L361-I389 HydrophobicContact CD1-CG1 3.81Å; Y381-I389 HydrophobicContact CE1-CD1 3.7Å; I383-I389 HydrophobicContact CG2-CD1 4.48Å; I383-I389 HydrophobicContact CG2-CG1 4.4Å; V386-I389 PolarHBondContact O-N 2.84Å; H387-I389 VanDerWaalsContact C-N 3.34Å; I389-K392 PolarHBondContact O-N 2.6Å; I389-A393 WeakPolarHBondContact O-CB 3.21Å; I389-A393 PolarHBondContact O-N 2.88Å
390L97.4Very high90.8Very high4 Ų466.1 Ų66.12%0.02133%0.332CS..Hα-helixtrans-66.7-39.3-178.5-69.2169.8000112.4R336 F350 V354 V386 H387 K392 A393 K394R336-L390 VanDerWaalsContact NH1-CD1 3.26Å; F350-L390 HydrophobicContact CE1-CD2 4.21Å; F350-L390 HydrophobicContact CZ-CD2 4.39Å; V354-L390 HydrophobicContact CG2-CD2 4.28Å; V386-L390 WeakPolarHBondContact O-CB 3.34Å; V386-L390 VanDerWaalsContact O-CG 3.27Å; V386-L390 WeakPolarHBondContact O-CG 2.97Å; V386-L390 PolarHBondContact O-N 3.13Å; H387-L390 PolarHBondContact O-N 2.75Å; L390-K392 VanDerWaalsContact C-N 3.34Å; L390-A393 PolarHBondContact O-N 3.25Å; L390-K394 WeakPolarHBondContact O-CB 3.45Å; L390-K394 PolarHBondContact O-N 3.04Å
391T96.8Very high90.7Very high56 Ų5663.8 Ų63.834%0.34432%0.318SS..Hα-helixtrans-61.6-46.7174.4-590000110.1H387 A393 K394 E395H387-T391 PolarHBondContact CE1-OG1 3.14Å; H387-T391 VanDerWaalsContact O-CB 3.32Å; H387-T391 WeakPolarHBondContact O-CB 3.16Å; H387-T391 PolarHBondContact O-N 3.13Å; H387-T391 PolarHBondContact O-OG1 3.25Å; T391-A393 PolarHBondContact O-N 2.84Å; T391-K394 WeakPolarHBondContact O-CB 3.14Å; T391-K394 PolarHBondContact O-N 3.07Å; T391-K394 VanDerWaalsContact O-N 3.17Å; T391-E395 WeakPolarHBondContact O-CG 3.48Å; T391-E395 PolarHBondContact O-N 2.87Å
392K96.9Very high90.5Very high56 Ų5665.9 Ų65.924%0.24333%0.33CS..Hα-helixtrans-62.4-42.3177.2-171.854.4161.8-174.60112.3A357 L361 L388 I389 L390 K394 E395 L396A357-K392 HydrophobicContact CB-CB 3.89Å; A357-K392 HydrophobicContact CB-CG 3.77Å; L361-K392 HydrophobicContact CD1-CB 4.22Å; L361-K392 HydrophobicContact CD2-CB 4.35Å; L361-K392 HydrophobicContact CD2-CG 4.26Å; L361-K392 HydrophobicContact CG-CB 4.36Å; L361-K392 HydrophobicContact CG-CG 4.21Å; L388-K392 WeakPolarHBondContact O-CB 3.44Å; L388-K392 PolarHBondContact O-N 2.89Å; I389-K392 PolarHBondContact O-N 2.6Å; L390-K392 VanDerWaalsContact C-N 3.34Å; K392-K394 VanDerWaalsContact C-N 3.29Å; K392-K394 PolarHBondContact O-N 3.23Å; K392-E395 VanDerWaalsContact CD-OE2 3.22Å; K392-E395 WeakPolarHBondContact CD-OE2 3.29Å; K392-E395 IonicContact NZ-OE2 2.81Å; K392-E395 PolarHBondContact NZ-OE2 3.18Å; K392-E395 WeakPolarHBondContact O-CB 3.44Å; K392-E395 PolarHBondContact O-N 3.29Å; K392-L396 WeakPolarHBondContact O-CG 3.35Å; K392-L396 PolarHBondContact O-N 3.2Å
393A97.4Very high90.5Very high0 Ų065.6 Ų65.60%032%0.322CS..Hα-helixtrans-61.8-37.9175.900000112.2F350 L353 V354 A357 I389 L390 T391 L396 Q397F350-A393 HydrophobicContact CE2-CB 3.95Å; F350-A393 HydrophobicContact CZ-CB 4.06Å; L353-A393 HydrophobicContact CB-CB 4.39Å; V354-A393 HydrophobicContact CB-CB 4.42Å; V354-A393 HydrophobicContact CG2-CB 3.9Å; A357-A393 HydrophobicContact CB-CB 3.98Å; I389-A393 WeakPolarHBondContact O-CB 3.21Å; I389-A393 PolarHBondContact O-N 2.88Å; L390-A393 PolarHBondContact O-N 3.25Å; T391-A393 PolarHBondContact O-N 2.84Å; A393-L396 PolarHBondContact O-N 2.92Å; A393-Q397 PolarHBondContact O-N 3.05Å
394K95.6Very high90.8Very high63 Ų6367.3 Ų67.327%0.27433%0.33SS..Hα-helixtrans-66.6-43.5176-173.258.1175.3-1750112.1F31 L390 T391 K392 L396 Q397 E398F31-K394 HydrophobicContact CE1-CB 4.35Å; F31-K394 HydrophobicContact CE1-CD 4.01Å; F31-K394 HydrophobicContact CE1-CG 4.2Å; F31-K394 HydrophobicContact CZ-CB 4.29Å; F31-K394 HydrophobicContact CZ-CD 3.78Å; F31-K394 HydrophobicContact CZ-CG 4.31Å; L390-K394 WeakPolarHBondContact O-CB 3.45Å; L390-K394 PolarHBondContact O-N 3.04Å; T391-K394 WeakPolarHBondContact O-CB 3.14Å; T391-K394 PolarHBondContact O-N 3.07Å; T391-K394 VanDerWaalsContact O-N 3.17Å; K392-K394 VanDerWaalsContact C-N 3.29Å; K392-K394 PolarHBondContact O-N 3.23Å; K394-L396 VanDerWaalsContact C-N 3.27Å; K394-L396 PolarHBondContact O-N 3.25Å; K394-Q397 VanDerWaalsContact O-CB 3.3Å; K394-Q397 WeakPolarHBondContact O-CB 3.19Å; K394-Q397 PolarHBondContact O-N 3.46Å; K394-E398 WeakPolarHBondContact CE-OE1 3.45Å; K394-E398 PolarHBondContact O-N 3.1Å
395E95.8Very high91.3Very high79 Ų7965.7 Ų65.737%0.36931%0.31SS..Hα-helixtrans-56.4-41.9172.4-69171.4-171.700111.6T391 K392 Q397 E398 N399T391-E395 WeakPolarHBondContact O-CG 3.48Å; T391-E395 PolarHBondContact O-N 2.87Å; K392-E395 VanDerWaalsContact CD-OE2 3.22Å; K392-E395 WeakPolarHBondContact CD-OE2 3.29Å; K392-E395 IonicContact NZ-OE2 2.81Å; K392-E395 PolarHBondContact NZ-OE2 3.18Å; K392-E395 WeakPolarHBondContact O-CB 3.44Å; K392-E395 PolarHBondContact O-N 3.29Å; E395-Q397 VanDerWaalsContact C-N 3.29Å; E395-Q397 PolarHBondContact O-N 2.95Å; E395-E398 PolarHBondContact O-N 3.1Å; E395-N399 WeakPolarHBondContact O-CB 3.21Å; E395-N399 PolarHBondContact O-N 3Å; E395-N399 VanDerWaalsContact O-N 3.1Å; E395-N399 PolarHBondContact O-ND2 3.14Å
396L94.1Very high91.2Very high13 Ų1364.1 Ų64.17%0.06830%0.299CS..Hα-helixtrans-66-32.8177.5-65.4177.9000112.4K298 L353 C356 A357 I360 K392 A393 K394K298-L396 HydrophobicContact CB-CD2 4.29Å; K298-L396 HydrophobicContact CD-CD2 4.03Å; K298-L396 HydrophobicContact CG-CD2 3.96Å; L353-L396 HydrophobicContact CD2-CB 4.04Å; C356-L396 HydrophobicContact CB-CD1 4.2Å; A357-L396 HydrophobicContact CB-CD1 4.03Å; I360-L396 HydrophobicContact CD1-CD1 4.1Å; I360-L396 HydrophobicContact CD1-CD2 4.1Å; K392-L396 WeakPolarHBondContact O-CG 3.35Å; K392-L396 PolarHBondContact O-N 3.2Å; A393-L396 PolarHBondContact O-N 2.92Å; K394-L396 VanDerWaalsContact C-N 3.27Å; K394-L396 PolarHBondContact O-N 3.25Å
397Q92Very high91Very high35 Ų3568.1 Ų68.116%0.16432%0.317CS..Hα-helixtrans-68.7-38.8176.9-161.4-178.144.300112.2D344 L353 A393 K394 E395 R400D344-Q397 PolarHBondContact OD2-NE2 3.08Å; L353-Q397 HydrophobicContact CD1-CB 3.67Å; L353-Q397 HydrophobicContact CD1-CG 3.75Å; A393-Q397 PolarHBondContact O-N 3.05Å; K394-Q397 VanDerWaalsContact O-CB 3.3Å; K394-Q397 WeakPolarHBondContact O-CB 3.19Å; K394-Q397 PolarHBondContact O-N 3.46Å; E395-Q397 VanDerWaalsContact C-N 3.29Å; E395-Q397 PolarHBondContact O-N 2.95Å; Q397-R400 WeakPolarHBondContact O-CG 3.32Å
398E87.1Confident90.7Very high132 Ų13264.8 Ų64.862%0.61730%0.302SS*.Hα-helixtrans-79.6-32.8-176.6-69.6174.4178.600112.8K394 E395 R400K394-E398 WeakPolarHBondContact CE-OE1 3.45Å; K394-E398 PolarHBondContact O-N 3.1Å; E395-E398 PolarHBondContact O-N 3.1Å; E398-R400 PolarHBondContact O-N 3.38Å
399N74.1Confident90.2Very high110 Ų11063.4 Ų63.459%0.58829%0.291SS*.  trans-82.336.4177.8-67.5-52.9000113K298 E395K298-N399 PolarHBondContact NZ-O 2.78Å; E395-N399 WeakPolarHBondContact O-CB 3.21Å; E395-N399 PolarHBondContact O-N 3Å; E395-N399 VanDerWaalsContact O-N 3.1Å; E395-N399 PolarHBondContact O-ND2 3.14Å
400R57.7Low89.5Confident213 Ų21369.2 Ų69.280%0.80432%0.317SS*.  trans-75.90-179.5-92.9-177.3175.2-168.83.8113.3H349 Q397 E398H349-R400 PolarHBondContact CD2-NH2 3.31Å; H349-R400 PolarHBondContact CE1-NH2 3.45Å; H349-R400 VanDerWaalsContact CE1-NH2 3.34Å; H349-R400 PolarHBondContact NE2-NH2 3.03Å; Q397-R400 WeakPolarHBondContact O-CG 3.32Å; E398-R400 PolarHBondContact O-N 3.38Å

Retrieved 400 of 400 residues in 182.9 ms (Link to these results)

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