A0A096NPF6_PAPAN Loading...

Rhodopsin

AlphaFold DB , UniProt , Accession A0A096NPF6, Species PAPAN (Papio anubis, Olive baboon), Gene RHO, Length 348 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M76.6Confident93.6Very high192 Ų19257.9 Ų57.995%0.94631%0.311SS*.  0144.40-61.6-178.8-164.600107.7G3 S14M1-G3 VanDerWaalsContact CB-O 3.22Å; M1-G3 WeakPolarHBondContact CB-O 3.47Å; M1-S14 WeakPolarHBondContact O-CB 3.46Å; M1-S14 PolarHBondContact O-OG 3.47Å
2N92.3Very high93.9Very high80 Ų8053.5 Ų53.543%0.42829%0.288SS..  trans-73.8-35.9-178.2-65.5-38.1000112.2F13 S14 G280 N282N2-F13 CarbonylContact O-C 3.44Å; N2-S14 PolarHBondContact O-N 3.41Å; N2-G280 WeakPolarHBondContact CB-O 3.41Å; N2-G280 PolarHBondContact ND2-O 3.49Å; N2-N282 HydrophobicContact CB-CB 4.28Å
3G95Very high94.1Very high4 Ų455 Ų554%0.04129%0.29CS..SBendtrans-112.5178.9166.500000112.5M1 Y10 V11 F13M1-G3 VanDerWaalsContact CB-O 3.22Å; M1-G3 WeakPolarHBondContact CB-O 3.47Å; G3-Y10 WeakPolarHBondContact CA-OH 3.29Å; G3-V11 CarbonylContact C-O 3.57Å; G3-V11 VanDerWaalsContact CA-O 3.31Å; G3-V11 WeakPolarHBondContact CA-O 3.43Å; G3-F13 CarbonylContact C-O 3.5Å
4T97.1Very high94.3Very high24 Ų2454.2 Ų54.215%0.14729%0.291CS..EExtended strand (participates in β ladder)trans-122.3109.4-179.9-54.80000109.4V11 F13 N15 V20T4-V11 PolarHBondContact N-O 3.1Å; T4-V11 PolarHBondContact O-N 2.97Å; T4-F13 PolarHBondContact N-O 2.97Å; T4-F13 PolarHBondContact OG1-O 3.06Å; T4-N15 HydrophobicContact CG2-CB 3.96Å; T4-N15 WeakPolarHBondContact OG1-CB 3.36Å; T4-N15 PolarHBondContact OG1-N 2.95Å; T4-N15 VanDerWaalsContact OG1-N 3.17Å; T4-V20 HydrophobicContact CG2-CB 4.34Å; T4-V20 HydrophobicContact CG2-CG1 3.83Å
5E96.9Very high94.5Very high112 Ų11255.3 Ų55.352%0.52330%0.297SS..EExtended strand (participates in β ladder)trans-88.9131.3176.8-173.6174178.900110.5Y10 T193E5-Y10 HydrophobicContact CB-CD2 4.11Å; E5-T193 HydrophobicContact CG-CG2 3.91Å; E5-T193 WeakPolarHBondContact OE1-CG2 3.16Å
6G94.6Very high94.7Very high12 Ų1257.7 Ų57.712%0.12433%0.327CS..EExtended strand (participates in β ladder)trans-116.2176.816900000111.1N8 F9G6-N8 PolarHBondContact O-N 3.22Å; G6-N8 VanDerWaalsContact O-N 3.12Å; G6-F9 PolarHBondContact N-O 3.34Å
7P91.6Very high94.8Very high94 Ų9460.3 Ų60.361%0.6134%0.344SS*.THydrogen-bonded Turntrans-56.1-35.5-178.2-26.334.5000113.6R177 K195P7-R177 PolarHBondContact O-NH1 3.19Å; P7-K195 PolarHBondContact O-NZ 3.43Å
8N92.3Very high94.9Very high85 Ų8558.9 Ų58.946%0.45535%0.345SS..THydrogen-bonded Turntrans-123.45.4-171.3-63.1-26.6000114.1G6 F24G6-N8 PolarHBondContact O-N 3.22Å; G6-N8 VanDerWaalsContact O-N 3.12Å; N8-F24 HydrophobicContact CB-CD2 4.46Å; N8-F24 HydrophobicContact CB-CE2 3.85Å; N8-F24 WeakPolarHBondContact O-CE2 3.43Å
9F97.3Very high95Very high23 Ų2359 Ų5910%0.10135%0.346CS..EExtended strand (participates in β ladder)trans-154.9164.7-173.562.8-97.4000112.1G6 V11 P23 F24G6-F9 PolarHBondContact N-O 3.34Å; F9-V11 HydrophobicContact CD2-CG2 3.75Å; F9-V11 HydrophobicContact CE2-CG2 3.87Å; F9-P23 HydrophobicContact CB-CG 3.71Å; F9-P23 HydrophobicContact CD1-CG 4.27Å; F9-P23 HydrophobicContact CD2-CG 4.18Å; F9-P23 VanDerWaalsContact CG-CD 3.44Å; F9-P23 HydrophobicContact CG-CG 3.81Å; F9-F24 HydrophobicContact CB-CE2 4Å; F9-F24 HydrophobicContact CD1-CD2 4.13Å; F9-F24 HydrophobicContact CD1-CE2 4.2Å
10Y97.9Very high95.2Very high11 Ų1156.5 Ų56.54%0.04333%0.332CS..EExtended strand (participates in β ladder)trans-132.6117.6166.9179.7-85000109.2G3 E5 P12 Q184 Y192 T193 F283G3-Y10 WeakPolarHBondContact CA-OH 3.29Å; E5-Y10 HydrophobicContact CB-CD2 4.11Å; Y10-P12 HydrophobicContact CE1-CB 4.29Å; Y10-Q184 PolarHBondContact O-OE1 3.39Å; Y10-Y192 AromaticContact CD1-CD1 3.38Å; Y10-Y192 HydrophobicContact CD1-CD1 3.38Å; Y10-Y192 HydrophobicContact CD1-CE1 4.05Å; Y10-Y192 AromaticContact CD1-CG 3.73Å; Y10-Y192 HydrophobicContact CD1-CG 3.73Å; Y10-Y192 AromaticContact CE1-CD1 3.7Å; Y10-Y192 HydrophobicContact CE1-CD1 3.7Å; Y10-Y192 HydrophobicContact CE1-CE1 4.3Å; Y10-Y192 HydrophobicContact CE1-CG 4.43Å; Y10-Y192 HydrophobicContact CG-CD1 4.17Å; Y10-Y192 HydrophobicContact CG-CG 4.09Å; Y10-T193 HydrophobicContact CD2-CG2 3.95Å; Y10-T193 HydrophobicContact CG-CG2 4.36Å; Y10-F283 AromaticContact CE1-CE2 3.7Å; Y10-F283 HydrophobicContact CE1-CE2 3.7Å; Y10-F283 AromaticContact CE1-CZ 3.89Å; Y10-F283 HydrophobicContact CE1-CZ 3.89Å
11V98.1Very high95.4Very high0 Ų059 Ų590%034%0.336CS..EExtended strand (participates in β ladder)trans-92.6123.1174.3-178.20000108.7G3 T4 F9 F13 V20 Y30 L31G3-V11 CarbonylContact C-O 3.57Å; G3-V11 VanDerWaalsContact CA-O 3.31Å; G3-V11 WeakPolarHBondContact CA-O 3.43Å; T4-V11 PolarHBondContact N-O 3.1Å; T4-V11 PolarHBondContact O-N 2.97Å; F9-V11 HydrophobicContact CD2-CG2 3.75Å; F9-V11 HydrophobicContact CE2-CG2 3.87Å; V11-F13 HydrophobicContact CG1-CB 3.86Å; V11-F13 PolarHBondContact O-N 3.2Å; V11-V20 HydrophobicContact CB-CG1 3.91Å; V11-V20 HydrophobicContact CG1-CG1 3.98Å; V11-V20 HydrophobicContact CG2-CG1 3.96Å; V11-Y30 HydrophobicContact CG1-CE2 4.37Å; V11-L31 HydrophobicContact CG1-CD1 4.13Å; V11-L31 HydrophobicContact CG1-CD2 3.72Å; V11-L31 HydrophobicContact CG1-CG 4.45Å
12P96.8Very high96.4Very high5 Ų550.7 Ų50.73%0.03230%0.296CS..SBendtrans-76.554.3177.133.9-36.8000111.5Y10 F283 P285Y10-P12 HydrophobicContact CE1-CB 4.29Å; P12-F283 HydrophobicContact CB-CD2 3.89Å; P12-F283 HydrophobicContact CB-CE2 3.96Å; P12-P285 HydrophobicContact CG-CB 4.01Å
13F97.4Very high96.7Very high73 Ų7346.9 Ų46.932%0.3228%0.276SS..SBendtrans-153.7139179.7-162-93.8000110N2 G3 T4 V11 V19 V20 Y30 L31N2-F13 CarbonylContact O-C 3.44Å; G3-F13 CarbonylContact C-O 3.5Å; T4-F13 PolarHBondContact N-O 2.97Å; T4-F13 PolarHBondContact OG1-O 3.06Å; V11-F13 HydrophobicContact CG1-CB 3.86Å; V11-F13 PolarHBondContact O-N 3.2Å; F13-V19 HydrophobicContact CE1-CG2 4.04Å; F13-V20 HydrophobicContact CB-CG2 4.41Å; F13-V20 HydrophobicContact CD1-CG2 3.66Å; F13-Y30 HydrophobicContact CD1-CD2 4.3Å; F13-L31 HydrophobicContact CB-CD2 3.41Å; F13-L31 VanDerWaalsContact CB-CD2 3.41Å; F13-L31 HydrophobicContact CD2-CD2 3.96Å; F13-L31 HydrophobicContact CG-CD2 3.78Å
14S96.9Very high96.9Very high44 Ų4447.9 Ų47.931%0.30828%0.279SS..  trans-75.5132.8-179.3174.40000111.5M1 N2 A16M1-S14 WeakPolarHBondContact O-CB 3.46Å; M1-S14 PolarHBondContact O-OG 3.47Å; N2-S14 PolarHBondContact O-N 3.41Å; S14-A16 PolarHBondContact O-N 2.86Å; S14-A16 PolarHBondContact OG-N 3.04Å
15N97.1Very high96.9Very high71 Ų7152.7 Ų52.738%0.3830%0.3SS..G310 helixtrans-84.621.7174.6-159.124.1000114.1T4 T17 G18 V19 V20T4-N15 HydrophobicContact CG2-CB 3.96Å; T4-N15 WeakPolarHBondContact OG1-CB 3.36Å; T4-N15 PolarHBondContact OG1-N 2.95Å; T4-N15 VanDerWaalsContact OG1-N 3.17Å; N15-T17 PolarHBondContact O-N 3.43Å; N15-G18 PolarHBondContact O-N 3.4Å; N15-G18 VanDerWaalsContact OD1-C 3.23Å; N15-G18 WeakPolarHBondContact OD1-CA 3.43Å; N15-V19 PolarHBondContact OD1-N 3.32Å; N15-V20 HydrophobicContact CB-CB 3.92Å; N15-V20 HydrophobicContact CB-CG2 3.9Å; N15-V20 WeakPolarHBondContact OD1-CB 3.42Å; N15-V20 PolarHBondContact OD1-N 2.98Å
16A96.6Very high97Very high93 Ų9353.2 Ų53.277%0.76930%0.298SS*.G310 helixtrans-58.8-31179.800000113.3S14S14-A16 PolarHBondContact O-N 2.86Å; S14-A16 PolarHBondContact OG-N 3.04Å
17T96.8Very high97.2Very high102 Ų10255.1 Ų55.163%0.62631%0.308SS*.G310 helixtrans-86.8-6.2177.255.60000113.5N15 V19N15-T17 PolarHBondContact O-N 3.43Å; T17-V19 VanDerWaalsContact C-N 3.28Å; T17-V19 PolarHBondContact O-N 2.95Å; T17-V19 WeakPolarHBondContact OG1-CG2 3.17Å
18G97Very high97.5Very high35 Ų3550.6 Ų50.636%0.36128%0.279SS..SBendtrans72.115.4-176.500000114.7N15 R21N15-G18 PolarHBondContact O-N 3.4Å; N15-G18 VanDerWaalsContact OD1-C 3.23Å; N15-G18 WeakPolarHBondContact OD1-CA 3.43Å; G18-R21 PolarHBondContact O-NH1 3.41Å; G18-R21 PolarHBondContact O-NH2 2.98Å
19V97.6Very high97.8Very high61 Ų6151 Ų5137%0.3727%0.274SS..  trans-89.9-18-177.5-57.20000114.2F13 N15 T17 R21 Y30F13-V19 HydrophobicContact CE1-CG2 4.04Å; N15-V19 PolarHBondContact OD1-N 3.32Å; T17-V19 VanDerWaalsContact C-N 3.28Å; T17-V19 PolarHBondContact O-N 2.95Å; T17-V19 WeakPolarHBondContact OG1-CG2 3.17Å; V19-R21 VanDerWaalsContact C-NH1 3.31Å; V19-R21 PolarHBondContact O-NH1 3.32Å; V19-Y30 HydrophobicContact CG2-CD2 4.29Å; V19-Y30 HydrophobicContact CG2-CG 4.36Å
20V98.3Very high97.8Very high8 Ų852.5 Ų52.55%0.04828%0.28CS..  trans-71.1134-174.1-179.60000110.3T4 V11 F13 N15 Y30T4-V20 HydrophobicContact CG2-CB 4.34Å; T4-V20 HydrophobicContact CG2-CG1 3.83Å; V11-V20 HydrophobicContact CB-CG1 3.91Å; V11-V20 HydrophobicContact CG1-CG1 3.98Å; V11-V20 HydrophobicContact CG2-CG1 3.96Å; F13-V20 HydrophobicContact CB-CG2 4.41Å; F13-V20 HydrophobicContact CD1-CG2 3.66Å; N15-V20 HydrophobicContact CB-CB 3.92Å; N15-V20 HydrophobicContact CB-CG2 3.9Å; N15-V20 WeakPolarHBondContact OD1-CB 3.42Å; N15-V20 PolarHBondContact OD1-N 2.98Å; V20-Y30 HydrophobicContact CB-CE2 4.3Å; V20-Y30 HydrophobicContact CG1-CE2 4.31Å; V20-Y30 HydrophobicContact CG2-CE2 4.02Å
21R98.3Very high97.8Very high111 Ų11152.9 Ų52.942%0.41928%0.282SS..  trans-133.8158-179.1-63.1-66.6176.3-79.7-3.4110.5G18 V19 Y26 Q28 Y30G18-R21 PolarHBondContact O-NH1 3.41Å; G18-R21 PolarHBondContact O-NH2 2.98Å; V19-R21 VanDerWaalsContact C-NH1 3.31Å; V19-R21 PolarHBondContact O-NH1 3.32Å; R21-Y26 HydrophobicContact CB-CD2 3.78Å; R21-Y26 HydrophobicContact CB-CG 3.92Å; R21-Y26 HydrophobicContact CG-CD2 4.15Å; R21-Y26 HydrophobicContact CG-CG 4.15Å; R21-Q28 PolarHBondContact O-NE2 2.92Å; R21-Y30 HydrophobicContact CB-CE1 4.5Å; R21-Y30 PolarHBondContact N-OH 3.08Å; R21-Y30 PolarHBondContact O-OH 3.44Å
22S98.4Very high97.8Very high16 Ų1653.5 Ų53.511%0.11229%0.288CS..  trans-54.2128.5177.5175.20000111.2F24 E25 Y26 Q28S22-F24 PolarHBondContact O-N 3.03Å; S22-F24 VanDerWaalsContact O-N 3.1Å; S22-F24 PolarHBondContact OG-N 2.91Å; S22-E25 PolarHBondContact O-N 2.95Å; S22-E25 VanDerWaalsContact O-N 3.11Å; S22-Y26 PolarHBondContact O-N 3.49Å; S22-Q28 PolarHBondContact O-NE2 2.78Å
23P98.4Very high97.9Very high0 Ų058.9 Ų58.90%031%0.312CS..THydrogen-bonded Turntrans-68.4-1.9172.731.7-36.6000112.7F9 Q28 Y102 F103 P180 Q184F9-P23 HydrophobicContact CB-CG 3.71Å; F9-P23 HydrophobicContact CD1-CG 4.27Å; F9-P23 HydrophobicContact CD2-CG 4.18Å; F9-P23 VanDerWaalsContact CG-CD 3.44Å; F9-P23 HydrophobicContact CG-CG 3.81Å; P23-Q28 HydrophobicContact CB-CG 4.22Å; P23-Y102 WeakPolarHBondContact O-CB 3.45Å; P23-F103 WeakPolarHBondContact O-CB 3.26Å; P23-F103 PolarHBondContact O-N 3.24Å; P23-P180 HydrophobicContact CB-CB 4.36Å; P23-P180 HydrophobicContact CB-CG 4.29Å; P23-P180 HydrophobicContact CG-CB 4.26Å; P23-P180 HydrophobicContact CG-CG 3.92Å; P23-Q184 HydrophobicContact CB-CB 3.7Å; P23-Q184 HydrophobicContact CB-CG 4.11Å
24F98.5Very high97.9Very high26 Ų2658.7 Ų58.711%0.11432%0.319CS..THydrogen-bonded Turntrans-98.4-8.4173.3-58.3-59.3000113.6N8 F9 S22 F103 G106 P107 C110 P180N8-F24 HydrophobicContact CB-CD2 4.46Å; N8-F24 HydrophobicContact CB-CE2 3.85Å; N8-F24 WeakPolarHBondContact O-CE2 3.43Å; F9-F24 HydrophobicContact CB-CE2 4Å; F9-F24 HydrophobicContact CD1-CD2 4.13Å; F9-F24 HydrophobicContact CD1-CE2 4.2Å; S22-F24 PolarHBondContact O-N 3.03Å; S22-F24 VanDerWaalsContact O-N 3.1Å; S22-F24 PolarHBondContact OG-N 2.91Å; F24-F103 HydrophobicContact CD1-CB 3.67Å; F24-F103 HydrophobicContact CD1-CG 4.49Å; F24-F103 HydrophobicContact CE1-CB 4.03Å; F24-F103 HydrophobicContact CE1-CG 4.38Å; F24-G106 VanDerWaalsContact CD1-C 3.42Å; F24-P107 HydrophobicContact CD1-CG 4.39Å; F24-P107 HydrophobicContact CD2-CG 4.41Å; F24-P107 HydrophobicContact CE1-CG 4.37Å; F24-P107 HydrophobicContact CE2-CG 4.37Å; F24-P107 HydrophobicContact CG-CG 4.4Å; F24-P107 HydrophobicContact CZ-CG 4.34Å; F24-C110 HydrophobicContact CE1-CB 3.88Å; F24-C110 HydrophobicContact CZ-CB 4.42Å; F24-P180 HydrophobicContact CE1-CG 3.69Å; F24-P180 HydrophobicContact CE2-CG 4.36Å; F24-P180 HydrophobicContact CZ-CG 3.57Å
25E98.1Very high98Very high124 Ų12463.4 Ų63.458%0.57933%0.33SS*.THydrogen-bonded Turntrans-126.8-33.9-172.5-63.8175.5-167.500113S22S22-E25 PolarHBondContact O-N 2.95Å; S22-E25 VanDerWaalsContact O-N 3.11Å
26Y98.4Very high98Very high123 Ų12362.1 Ų62.148%0.48232%0.322SS..SBendtrans-133.5147.2-172.9-64.2-86.9000112.5R21 S22 Q28 Y102R21-Y26 HydrophobicContact CB-CD2 3.78Å; R21-Y26 HydrophobicContact CB-CG 3.92Å; R21-Y26 HydrophobicContact CG-CD2 4.15Å; R21-Y26 HydrophobicContact CG-CG 4.15Å; S22-Y26 PolarHBondContact O-N 3.49Å; Y26-Q28 PolarHBondContact O-NE2 2.77Å; Y26-Y102 WeakPolarHBondContact O-CB 3.3Å
27P98.6Very high98.1Very high52 Ų5257.8 Ų57.834%0.33829%0.285SS..  trans-56.6143.6173.4-24.333.3000113.5Y29 Y102P27-Y29 HydrophobicContact CB-CD2 3.49Å; P27-Y29 VanDerWaalsContact CB-CD2 3.49Å; P27-Y29 HydrophobicContact CB-CE2 3.47Å; P27-Y29 VanDerWaalsContact CB-CE2 3.47Å; P27-Y29 HydrophobicContact CB-CG 4.29Å; P27-Y29 HydrophobicContact CG-CD2 4.47Å; P27-Y29 HydrophobicContact CG-CE2 4.18Å; P27-Y29 PolarHBondContact O-N 3.04Å; P27-Y102 HydrophobicContact CB-CD1 4.16Å; P27-Y102 HydrophobicContact CG-CD1 3.81Å; P27-Y102 HydrophobicContact CG-CE1 3.9Å
28Q98.6Very high98.2Very high0 Ų056.6 Ų56.60%028%0.281CS..  trans-9926.9-175.1-56.4-67-61.800112.6R21 S22 P23 Y26 Y30 L31 F37 G101 Q184R21-Q28 PolarHBondContact O-NE2 2.92Å; S22-Q28 PolarHBondContact O-NE2 2.78Å; P23-Q28 HydrophobicContact CB-CG 4.22Å; Y26-Q28 PolarHBondContact O-NE2 2.77Å; Q28-Y30 VanDerWaalsContact CD-OH 3.28Å; Q28-Y30 PolarHBondContact NE2-OH 3.22Å; Q28-Y30 PolarHBondContact O-N 3.2Å; Q28-Y30 VanDerWaalsContact OE1-CZ 3.25Å; Q28-Y30 PolarHBondContact OE1-OH 3.48Å; Q28-L31 HydrophobicContact CB-CD1 3.81Å; Q28-L31 HydrophobicContact CB-CG 4.15Å; Q28-L31 HydrophobicContact CG-CD1 4.42Å; Q28-L31 VanDerWaalsContact O-CB 3.24Å; Q28-L31 WeakPolarHBondContact O-CB 3.3Å; Q28-L31 PolarHBondContact O-N 3.12Å; Q28-F37 HydrophobicContact CB-CE1 4.4Å; Q28-F37 HydrophobicContact CB-CZ 4.13Å; Q28-F37 WeakPolarHBondContact O-CZ 3.43Å; Q28-G101 VanDerWaalsContact CB-O 3.3Å; Q28-G101 WeakPolarHBondContact CB-O 3.41Å; Q28-G101 WeakPolarHBondContact CG-O 3.43Å; Q28-G101 PolarHBondContact N-O 3.39Å; Q28-Q184 HydrophobicContact CG-CB 4.02Å; Q28-Q184 HydrophobicContact CG-CG 4.2Å
29Y98.4Very high98.3Very high92 Ų9260 Ų6036%0.36129%0.289SS..THydrogen-bonded Turntrans-65.2-6.7-179.1-59.7-49.6000114.8P27 L31 A32 P34 F37 H100P27-Y29 HydrophobicContact CB-CD2 3.49Å; P27-Y29 VanDerWaalsContact CB-CD2 3.49Å; P27-Y29 HydrophobicContact CB-CE2 3.47Å; P27-Y29 VanDerWaalsContact CB-CE2 3.47Å; P27-Y29 HydrophobicContact CB-CG 4.29Å; P27-Y29 HydrophobicContact CG-CD2 4.47Å; P27-Y29 HydrophobicContact CG-CE2 4.18Å; P27-Y29 PolarHBondContact O-N 3.04Å; Y29-L31 VanDerWaalsContact C-N 3.31Å; Y29-A32 CarbonylContact C-O 3.42Å; Y29-P34 HydrophobicContact CD1-CB 3.96Å; Y29-P34 HydrophobicContact CD1-CG 3.93Å; Y29-P34 HydrophobicContact CE1-CB 4.09Å; Y29-P34 HydrophobicContact CG-CG 4.06Å; Y29-F37 AromaticContact CD1-CD2 3.65Å; Y29-F37 HydrophobicContact CD1-CD2 3.65Å; Y29-F37 AromaticContact CD1-CE2 3.79Å; Y29-F37 HydrophobicContact CD1-CE2 3.79Å; Y29-F37 HydrophobicContact CD1-CG 4.18Å; Y29-F37 HydrophobicContact CD1-CZ 4.41Å; Y29-F37 HydrophobicContact CE1-CB 4.16Å; Y29-F37 HydrophobicContact CE1-CD1 4.47Å; Y29-F37 AromaticContact CE1-CD2 3.86Å; Y29-F37 HydrophobicContact CE1-CD2 3.86Å; Y29-F37 HydrophobicContact CE1-CE2 4.36Å; Y29-F37 AromaticContact CE1-CG 3.92Å; Y29-F37 HydrophobicContact CE1-CG 3.92Å; Y29-H100 PolarHBondContact OH-O 3.3Å
30Y97.9Very high98.3Very high56 Ų5657.8 Ų57.822%0.2228%0.275CS..THydrogen-bonded Turntrans-80.4-13.6168.660.3-96.7000112.7V11 F13 V19 V20 R21 Q28V11-Y30 HydrophobicContact CG1-CE2 4.37Å; F13-Y30 HydrophobicContact CD1-CD2 4.3Å; V19-Y30 HydrophobicContact CG2-CD2 4.29Å; V19-Y30 HydrophobicContact CG2-CG 4.36Å; V20-Y30 HydrophobicContact CB-CE2 4.3Å; V20-Y30 HydrophobicContact CG1-CE2 4.31Å; V20-Y30 HydrophobicContact CG2-CE2 4.02Å; R21-Y30 HydrophobicContact CB-CE1 4.5Å; R21-Y30 PolarHBondContact N-OH 3.08Å; R21-Y30 PolarHBondContact O-OH 3.44Å; Q28-Y30 VanDerWaalsContact CD-OH 3.28Å; Q28-Y30 PolarHBondContact NE2-OH 3.22Å; Q28-Y30 PolarHBondContact O-N 3.2Å; Q28-Y30 VanDerWaalsContact OE1-CZ 3.25Å; Q28-Y30 PolarHBondContact OE1-OH 3.48Å
31L97.9Very high98.3Very high18 Ų1857.6 Ų57.69%0.09427%0.274CS..THydrogen-bonded Turntrans-81.9-33.6175.6-64-175.3000112.7V11 F13 Q28 Y29 L183 Q184 P285V11-L31 HydrophobicContact CG1-CD1 4.13Å; V11-L31 HydrophobicContact CG1-CD2 3.72Å; V11-L31 HydrophobicContact CG1-CG 4.45Å; F13-L31 HydrophobicContact CB-CD2 3.41Å; F13-L31 VanDerWaalsContact CB-CD2 3.41Å; F13-L31 HydrophobicContact CD2-CD2 3.96Å; F13-L31 HydrophobicContact CG-CD2 3.78Å; Q28-L31 HydrophobicContact CB-CD1 3.81Å; Q28-L31 HydrophobicContact CB-CG 4.15Å; Q28-L31 HydrophobicContact CG-CD1 4.42Å; Q28-L31 VanDerWaalsContact O-CB 3.24Å; Q28-L31 WeakPolarHBondContact O-CB 3.3Å; Q28-L31 PolarHBondContact O-N 3.12Å; Y29-L31 VanDerWaalsContact C-N 3.31Å; L31-L183 HydrophobicContact CB-CD2 3.95Å; L31-Q184 HydrophobicContact CD1-CG 3.65Å; L31-P285 HydrophobicContact CB-CB 4.37Å; L31-P285 HydrophobicContact CB-CG 4.07Å; L31-P285 HydrophobicContact CD1-CB 4.41Å
32A98.2Very high98.3Very high14 Ų1455.3 Ų55.312%0.11628%0.279CS..SBendtrans-160.3163-179.300000111.1Y29 Q36 F37 L183Y29-A32 CarbonylContact C-O 3.42Å; A32-Q36 HydrophobicContact CB-CB 4.38Å; A32-Q36 VanDerWaalsContact CB-OE1 3.25Å; A32-F37 HydrophobicContact CB-CE2 3.98Å; A32-L183 HydrophobicContact CB-CD1 4.22Å; A32-L183 HydrophobicContact CB-CD2 3.39Å; A32-L183 HydrophobicContact CB-CG 4.49Å
33E98.2Very high98.3Very high117 Ų11757.6 Ų57.655%0.54729%0.286SS..  trans-63.4140.4179.4-61.4-176.1-179.300111.4W35 Q36E33-W35 PolarHBondContact O-N 2.91Å; E33-W35 PolarHBondContact OE2-NE1 3.18Å; E33-Q36 HydrophobicContact CB-CG 4.39Å; E33-Q36 VanDerWaalsContact O-CB 3.31Å; E33-Q36 WeakPolarHBondContact O-CB 3.3Å; E33-Q36 PolarHBondContact O-N 3.39Å
34P98.2Very high98.3Very high70 Ų7057.6 Ų57.646%0.45529%0.286SS..Hα-helixtrans-53.7-32-176.2-29.935000115.4Y29 Q36 F37 S38Y29-P34 HydrophobicContact CD1-CB 3.96Å; Y29-P34 HydrophobicContact CD1-CG 3.93Å; Y29-P34 HydrophobicContact CE1-CB 4.09Å; Y29-P34 HydrophobicContact CG-CG 4.06Å; P34-Q36 PolarHBondContact O-N 3.25Å; P34-F37 WeakPolarHBondContact O-CB 3.47Å; P34-F37 PolarHBondContact O-N 3.35Å; P34-F37 VanDerWaalsContact O-N 3.17Å; P34-S38 PolarHBondContact O-N 3.26Å; P34-S38 VanDerWaalsContact O-N 3.17Å; P34-S38 PolarHBondContact O-OG 2.88Å
35W98.2Very high98.3Very high142 Ų14262.1 Ų62.154%0.53831%0.306SS..Hα-helixtrans-66.1-25.6177.272.1-94.8000112.8E33 F37 S38 M39E33-W35 PolarHBondContact O-N 2.91Å; E33-W35 PolarHBondContact OE2-NE1 3.18Å; W35-F37 VanDerWaalsContact C-N 3.31Å; W35-S38 WeakPolarHBondContact O-CB 3.32Å; W35-S38 PolarHBondContact O-N 2.89Å; W35-M39 HydrophobicContact CZ3-SD 4.08Å; W35-M39 WeakPolarHBondContact O-CB 3.21Å; W35-M39 PolarHBondContact O-N 3.27Å
36Q98.3Very high98.3Very high45 Ų4560.5 Ų60.521%0.2130%0.3CS..Hα-helixtrans-68.3-34.7175.5-59.7-175.213.800110.8A32 E33 P34 M39 L40A32-Q36 HydrophobicContact CB-CB 4.38Å; A32-Q36 VanDerWaalsContact CB-OE1 3.25Å; E33-Q36 HydrophobicContact CB-CG 4.39Å; E33-Q36 VanDerWaalsContact O-CB 3.31Å; E33-Q36 WeakPolarHBondContact O-CB 3.3Å; E33-Q36 PolarHBondContact O-N 3.39Å; P34-Q36 PolarHBondContact O-N 3.25Å; Q36-M39 WeakPolarHBondContact O-CB 3.29Å; Q36-M39 PolarHBondContact O-N 2.99Å; Q36-L40 PolarHBondContact O-N 2.84Å
37F98.5Very high98.2Very high1 Ų154.9 Ų54.90%0.00428%0.279CS..Hα-helixtrans-67.8-41.5171.3-68.8-96.8000111.3Q28 Y29 A32 P34 W35 M39 L40 A41 L183 C185Q28-F37 HydrophobicContact CB-CE1 4.4Å; Q28-F37 HydrophobicContact CB-CZ 4.13Å; Q28-F37 WeakPolarHBondContact O-CZ 3.43Å; Y29-F37 AromaticContact CD1-CD2 3.65Å; Y29-F37 HydrophobicContact CD1-CD2 3.65Å; Y29-F37 AromaticContact CD1-CE2 3.79Å; Y29-F37 HydrophobicContact CD1-CE2 3.79Å; Y29-F37 HydrophobicContact CD1-CG 4.18Å; Y29-F37 HydrophobicContact CD1-CZ 4.41Å; Y29-F37 HydrophobicContact CE1-CB 4.16Å; Y29-F37 HydrophobicContact CE1-CD1 4.47Å; Y29-F37 AromaticContact CE1-CD2 3.86Å; Y29-F37 HydrophobicContact CE1-CD2 3.86Å; Y29-F37 HydrophobicContact CE1-CE2 4.36Å; Y29-F37 AromaticContact CE1-CG 3.92Å; Y29-F37 HydrophobicContact CE1-CG 3.92Å; A32-F37 HydrophobicContact CB-CE2 3.98Å; P34-F37 WeakPolarHBondContact O-CB 3.47Å; P34-F37 PolarHBondContact O-N 3.35Å; P34-F37 VanDerWaalsContact O-N 3.17Å; W35-F37 VanDerWaalsContact C-N 3.31Å; F37-M39 VanDerWaalsContact C-N 3.26Å; F37-M39 PolarHBondContact O-N 3.48Å; F37-L40 PolarHBondContact O-N 3.04Å; F37-A41 PolarHBondContact O-N 3.5Å; F37-L183 HydrophobicContact CE1-CB 4.15Å; F37-L183 HydrophobicContact CE2-CD2 4.44Å; F37-L183 HydrophobicContact CZ-CB 4.25Å; F37-L183 HydrophobicContact CZ-CD2 4.12Å; F37-C185 WeakPolarHBondContact CD1-SG 3.32Å; F37-C185 WeakPolarHBondContact CE1-SG 3.47Å
38S98.3Very high98.1Very high77 Ų7753.9 Ų53.954%0.53827%0.27SS..Hα-helixtrans-61-35.9172.3-51.40000112.4P34 W35 A41 A42P34-S38 PolarHBondContact O-N 3.26Å; P34-S38 VanDerWaalsContact O-N 3.17Å; P34-S38 PolarHBondContact O-OG 2.88Å; W35-S38 WeakPolarHBondContact O-CB 3.32Å; W35-S38 PolarHBondContact O-N 2.89Å; S38-A41 PolarHBondContact O-N 2.89Å; S38-A42 WeakPolarHBondContact O-CB 3.49Å; S38-A42 PolarHBondContact O-N 2.84Å
39M98.3Very high98.1Very high107 Ų10757.3 Ų57.353%0.52729%0.291SS..Hα-helixtrans-64.9-44.1173.9-174.3-174.767.200111.6W35 Q36 F37 A42 Y43W35-M39 HydrophobicContact CZ3-SD 4.08Å; W35-M39 WeakPolarHBondContact O-CB 3.21Å; W35-M39 PolarHBondContact O-N 3.27Å; Q36-M39 WeakPolarHBondContact O-CB 3.29Å; Q36-M39 PolarHBondContact O-N 2.99Å; F37-M39 VanDerWaalsContact C-N 3.26Å; F37-M39 PolarHBondContact O-N 3.48Å; M39-A42 PolarHBondContact O-N 3.44Å; M39-Y43 WeakPolarHBondContact O-CB 3.31Å; M39-Y43 PolarHBondContact O-N 3.4Å
40L98.2Very high97.9Very high14 Ų1456.4 Ų56.47%0.07329%0.292CS..Hα-helixtrans-61.8-42.6173.5-69.6-176.4000111.9Q36 F37 Y43 M44 L183 C185 T289 F293Q36-L40 PolarHBondContact O-N 2.84Å; F37-L40 PolarHBondContact O-N 3.04Å; L40-Y43 WeakPolarHBondContact O-CB 3.48Å; L40-Y43 PolarHBondContact O-N 2.92Å; L40-M44 WeakPolarHBondContact O-CG 3.34Å; L40-M44 PolarHBondContact O-N 3.44Å; L40-L183 HydrophobicContact CD1-CB 4.39Å; L40-L183 HydrophobicContact CD1-CD1 3.77Å; L40-C185 HydrophobicContact CD1-CB 4.47Å; L40-T289 HydrophobicContact CD1-CG2 3.97Å; L40-T289 HydrophobicContact CD2-CG2 4.09Å; L40-F293 HydrophobicContact CB-CE1 4.09Å; L40-F293 HydrophobicContact CB-CZ 4.36Å; L40-F293 HydrophobicContact CD1-CE1 4.24Å; L40-F293 HydrophobicContact CD1-CE2 3.91Å; L40-F293 HydrophobicContact CD1-CZ 3.74Å; L40-F293 HydrophobicContact CD2-CD1 3.81Å; L40-F293 HydrophobicContact CD2-CD2 4.1Å; L40-F293 HydrophobicContact CD2-CE1 3.94Å; L40-F293 HydrophobicContact CD2-CE2 4.24Å; L40-F293 HydrophobicContact CD2-CG 3.88Å; L40-F293 HydrophobicContact CD2-CZ 4.16Å; L40-F293 HydrophobicContact CG-CE1 4.32Å; L40-F293 HydrophobicContact CG-CZ 4.32Å
41A98.4Very high97.8Very high4 Ų453.8 Ų53.83%0.03328%0.282CS..Hα-helixtrans-61.5-46.2175.900000111.6F37 S38 Y43 M44 F45 L95 L99F37-A41 PolarHBondContact O-N 3.5Å; S38-A41 PolarHBondContact O-N 2.89Å; A41-Y43 VanDerWaalsContact C-N 3.3Å; A41-Y43 PolarHBondContact O-N 3.46Å; A41-M44 PolarHBondContact O-N 3.2Å; A41-F45 WeakPolarHBondContact O-CB 3.35Å; A41-F45 PolarHBondContact O-N 3.42Å; A41-L95 HydrophobicContact CB-CD1 4.05Å; A41-L95 WeakPolarHBondContact O-CD1 3.49Å; A41-L99 HydrophobicContact CB-CD2 3.69Å; A41-L99 HydrophobicContact CB-CG 3.9Å
42A98.5Very high97.7Very high63 Ų6356.6 Ų56.652%0.52129%0.293SS..Hα-helixtrans-61-40176.300000112.1S38 M39 F45 L46S38-A42 WeakPolarHBondContact O-CB 3.49Å; S38-A42 PolarHBondContact O-N 2.84Å; M39-A42 PolarHBondContact O-N 3.44Å; A42-F45 PolarHBondContact O-N 3.15Å; A42-L46 PolarHBondContact O-N 2.96Å
43Y98.3Very high97.5Very high64 Ų6459 Ų5925%0.25131%0.308SS..Hα-helixtrans-63-49.1174.6174.7-103.3000112.2M39 L40 A41 F45 L46 L47 F293M39-Y43 WeakPolarHBondContact O-CB 3.31Å; M39-Y43 PolarHBondContact O-N 3.4Å; L40-Y43 WeakPolarHBondContact O-CB 3.48Å; L40-Y43 PolarHBondContact O-N 2.92Å; A41-Y43 VanDerWaalsContact C-N 3.3Å; A41-Y43 PolarHBondContact O-N 3.46Å; Y43-F45 VanDerWaalsContact C-N 3.31Å; Y43-F45 PolarHBondContact O-N 2.72Å; Y43-L46 WeakPolarHBondContact O-CB 3.36Å; Y43-L46 PolarHBondContact O-N 3Å; Y43-L47 HydrophobicContact CD1-CD1 4.17Å; Y43-L47 HydrophobicContact CD1-CG 4.4Å; Y43-L47 HydrophobicContact CE1-CD1 3.46Å; Y43-L47 VanDerWaalsContact CE1-CD1 3.46Å; Y43-L47 HydrophobicContact CE1-CG 3.97Å; Y43-L47 HydrophobicContact CE2-CD2 4.19Å; Y43-L47 HydrophobicContact CE2-CG 4.29Å; Y43-L47 WeakPolarHBondContact O-CG 3.44Å; Y43-L47 PolarHBondContact O-N 3.45Å; Y43-F293 HydrophobicContact CD1-CB 4.42Å; Y43-F293 AromaticContact CD1-CD1 4Å; Y43-F293 HydrophobicContact CD1-CD1 4Å; Y43-F293 HydrophobicContact CE1-CB 4.06Å; Y43-F293 HydrophobicContact CE1-CD1 4.24Å; Y43-F293 WeakPolarHBondContact CE1-O 3.44Å; Y43-F293 PolarHBondContact OH-O 3.17Å; Y43-F293 VanDerWaalsContact OH-O 3.06Å
44M98.2Very high97.2Very high0 Ų055.5 Ų55.50%029%0.292CS..Hα-helixtrans-63.3-37.7177.6-68.3-49.2-6100112.1L40 A41 L47 I48 F91 T94 L95 F293 K296L40-M44 WeakPolarHBondContact O-CG 3.34Å; L40-M44 PolarHBondContact O-N 3.44Å; A41-M44 PolarHBondContact O-N 3.2Å; M44-L47 HydrophobicContact CE-CD1 4.22Å; M44-L47 PolarHBondContact O-N 3.5Å; M44-L47 HydrophobicContact SD-CD1 4.01Å; M44-I48 WeakPolarHBondContact O-CG1 3.35Å; M44-I48 PolarHBondContact O-N 3.47Å; M44-F91 HydrophobicContact CE-CB 3.52Å; M44-F91 HydrophobicContact CE-CD1 3.47Å; M44-F91 VanDerWaalsContact CE-CD1 3.47Å; M44-F91 HydrophobicContact CE-CD2 4.08Å; M44-F91 HydrophobicContact CE-CE1 4.19Å; M44-F91 HydrophobicContact CE-CG 3.42Å; M44-F91 VanDerWaalsContact CE-CG 3.42Å; M44-T94 HydrophobicContact CE-CG2 4.04Å; M44-T94 HydrophobicContact CG-CG2 3.96Å; M44-T94 HydrophobicContact SD-CG2 4.05Å; M44-L95 HydrophobicContact CB-CB 4.04Å; M44-L95 HydrophobicContact CB-CD1 4.32Å; M44-F293 HydrophobicContact CG-CD1 4.15Å; M44-F293 HydrophobicContact CG-CE1 3.73Å; M44-F293 HydrophobicContact SD-CD1 3.63Å; M44-F293 HydrophobicContact SD-CE1 3.71Å; M44-K296 HydrophobicContact CE-CD 3.7Å; M44-K296 HydrophobicContact SD-CD 3.8Å
45F98.3Very high97Very high121 Ų12152.1 Ų52.153%0.53127%0.271SS..Hα-helixtrans-60.6-45.2173.8179.8-103.8000111.5A41 A42 Y43 L47 I48 V49 L95A41-F45 WeakPolarHBondContact O-CB 3.35Å; A41-F45 PolarHBondContact O-N 3.42Å; A42-F45 PolarHBondContact O-N 3.15Å; Y43-F45 VanDerWaalsContact C-N 3.31Å; Y43-F45 PolarHBondContact O-N 2.72Å; F45-L47 VanDerWaalsContact C-N 3.32Å; F45-L47 PolarHBondContact O-N 3.47Å; F45-I48 PolarHBondContact O-N 3.15Å; F45-V49 HydrophobicContact CD1-CG2 4.23Å; F45-V49 HydrophobicContact CD2-CG2 4.31Å; F45-V49 HydrophobicContact CE1-CG2 3.81Å; F45-V49 HydrophobicContact CE2-CG2 3.9Å; F45-V49 HydrophobicContact CG-CG2 4.47Å; F45-V49 HydrophobicContact CZ-CG2 3.64Å; F45-V49 WeakPolarHBondContact O-CB 3.36Å; F45-V49 WeakPolarHBondContact O-CG2 3.2Å; F45-V49 PolarHBondContact O-N 3.08Å; F45-L95 HydrophobicContact CB-CD1 4.09Å; F45-L95 HydrophobicContact CD2-CD2 4.34Å
46L97.8Very high96.7Very high90 Ų9050.1 Ų50.147%0.47127%0.266SS..Hα-helixtrans-59.3-43.7173.8-178.367.8000111.4A42 Y43 I48 V49 L50A42-L46 PolarHBondContact O-N 2.96Å; Y43-L46 WeakPolarHBondContact O-CB 3.36Å; Y43-L46 PolarHBondContact O-N 3Å; L46-I48 VanDerWaalsContact C-N 3.31Å; L46-I48 PolarHBondContact O-N 2.93Å; L46-V49 PolarHBondContact O-N 3.15Å; L46-L50 HydrophobicContact CD1-CD1 3.71Å; L46-L50 HydrophobicContact CD1-CG 4.01Å; L46-L50 HydrophobicContact CG-CD1 3.86Å; L46-L50 HydrophobicContact CG-CG 4.4Å; L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 WeakPolarHBondContact O-CG 3.2Å; L46-L50 PolarHBondContact O-N 3.02Å
47L97Very high96.4Very high5 Ų550.2 Ų50.23%0.02627%0.268CS..Hα-helixtrans-60.8-39.9177.9-69.2-169.9000112.6Y43 M44 F45 G51 F91 K296 I300Y43-L47 HydrophobicContact CD1-CD1 4.17Å; Y43-L47 HydrophobicContact CD1-CG 4.4Å; Y43-L47 HydrophobicContact CE1-CD1 3.46Å; Y43-L47 VanDerWaalsContact CE1-CD1 3.46Å; Y43-L47 HydrophobicContact CE1-CG 3.97Å; Y43-L47 HydrophobicContact CE2-CD2 4.19Å; Y43-L47 HydrophobicContact CE2-CG 4.29Å; Y43-L47 WeakPolarHBondContact O-CG 3.44Å; Y43-L47 PolarHBondContact O-N 3.45Å; M44-L47 HydrophobicContact CE-CD1 4.22Å; M44-L47 PolarHBondContact O-N 3.5Å; M44-L47 HydrophobicContact SD-CD1 4.01Å; F45-L47 VanDerWaalsContact C-N 3.32Å; F45-L47 PolarHBondContact O-N 3.47Å; L47-G51 VanDerWaalsContact O-CA 3.26Å; L47-G51 WeakPolarHBondContact O-CA 3.33Å; L47-G51 PolarHBondContact O-N 3.35Å; L47-F91 HydrophobicContact CB-CD2 4.21Å; L47-F91 HydrophobicContact CB-CE2 4.24Å; L47-F91 HydrophobicContact CD1-CE2 4.32Å; L47-K296 HydrophobicContact CD1-CB 3.73Å; L47-I300 HydrophobicContact CD2-CD1 3.44Å; L47-I300 VanDerWaalsContact CD2-CD1 3.44Å; L47-I300 HydrophobicContact CD2-CG1 4.27Å
48I97.5Very high96Very high32 Ų3250.4 Ų50.416%0.16427%0.269CS..Hα-helixtrans-68.2-48.6177.3-68.4160.3000110.8M44 F45 L46 L50 F52 V87 F91 L95M44-I48 WeakPolarHBondContact O-CG1 3.35Å; M44-I48 PolarHBondContact O-N 3.47Å; F45-I48 PolarHBondContact O-N 3.15Å; L46-I48 VanDerWaalsContact C-N 3.31Å; L46-I48 PolarHBondContact O-N 2.93Å; I48-L50 VanDerWaalsContact C-N 3.28Å; I48-L50 PolarHBondContact O-N 3.3Å; I48-F52 WeakPolarHBondContact O-CB 3.34Å; I48-F52 PolarHBondContact O-N 2.9Å; I48-V87 HydrophobicContact CB-CG1 4.4Å; I48-V87 HydrophobicContact CG1-CG1 4.29Å; I48-V87 HydrophobicContact CG2-CG1 4.11Å; I48-F91 HydrophobicContact CD1-CB 4.01Å; I48-F91 HydrophobicContact CG1-CB 3.72Å; I48-F91 HydrophobicContact CG1-CD2 4.39Å; I48-L95 HydrophobicContact CD1-CB 4.08Å; I48-L95 HydrophobicContact CD1-CD2 3.78Å
49V97Very high95.6Very high72 Ų7248.8 Ų48.844%0.43625%0.254SS..Hα-helixtrans-63.7-33.2-177.2169.80000112.2F45 L46 P53F45-V49 HydrophobicContact CD1-CG2 4.23Å; F45-V49 HydrophobicContact CD2-CG2 4.31Å; F45-V49 HydrophobicContact CE1-CG2 3.81Å; F45-V49 HydrophobicContact CE2-CG2 3.9Å; F45-V49 HydrophobicContact CG-CG2 4.47Å; F45-V49 HydrophobicContact CZ-CG2 3.64Å; F45-V49 WeakPolarHBondContact O-CB 3.36Å; F45-V49 WeakPolarHBondContact O-CG2 3.2Å; F45-V49 PolarHBondContact O-N 3.08Å; L46-V49 PolarHBondContact O-N 3.15Å; V49-P53 WeakPolarHBondContact O-CD 3.47Å; V49-P53 WeakPolarHBondContact O-CG 3.47Å
50L95.3Very high95.3Very high73 Ų7348.5 Ų48.538%0.38225%0.248SC..Hα-helixtrans-88.5-44.8176.5-64.9179.8000112.5L46 I48 P53 I54 I300L46-L50 HydrophobicContact CD1-CD1 3.71Å; L46-L50 HydrophobicContact CD1-CG 4.01Å; L46-L50 HydrophobicContact CG-CD1 3.86Å; L46-L50 HydrophobicContact CG-CG 4.4Å; L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 WeakPolarHBondContact O-CG 3.2Å; L46-L50 PolarHBondContact O-N 3.02Å; I48-L50 VanDerWaalsContact C-N 3.28Å; I48-L50 PolarHBondContact O-N 3.3Å; L50-P53 WeakPolarHBondContact O-CD 3.42Å; L50-I54 WeakPolarHBondContact O-CB 3.42Å; L50-I54 WeakPolarHBondContact O-CD1 3.33Å; L50-I54 VanDerWaalsContact O-CG1 3.24Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 3.32Å; L50-I300 HydrophobicContact CB-CD1 3.69Å; L50-I300 HydrophobicContact CB-CG1 4.43Å; L50-I300 HydrophobicContact CD1-CD1 4.07Å
51G94.7Very high94.9Very high0 Ų047.9 Ų47.90%024%0.244CC..Hα-helixtrans-64.5-42.1-17500000112.5L47 N55L47-G51 VanDerWaalsContact O-CA 3.26Å; L47-G51 WeakPolarHBondContact O-CA 3.33Å; L47-G51 PolarHBondContact O-N 3.35Å; G51-N55 WeakPolarHBondContact O-CB 3.38Å; G51-N55 PolarHBondContact O-N 2.95Å; G51-N55 VanDerWaalsContact O-N 3.12Å; G51-N55 PolarHBondContact O-ND2 2.98Å
52F95.6Very high94.3Very high77 Ų7748 Ų4834%0.33825%0.245SC..Hα-helixtrans-62.3-56.5-179.7168.2-108.9000112.6I48 I54 N55 F56 L84 V87 F88I48-F52 WeakPolarHBondContact O-CB 3.34Å; I48-F52 PolarHBondContact O-N 2.9Å; F52-I54 PolarHBondContact O-N 3.38Å; F52-N55 PolarHBondContact O-N 3.29Å; F52-F56 HydrophobicContact CD2-CB 4.41Å; F52-F56 HydrophobicContact CE2-CB 4.07Å; F52-F56 HydrophobicContact CE2-CD2 4.32Å; F52-F56 HydrophobicContact CE2-CG 4.32Å; F52-F56 HydrophobicContact CZ-CB 4.37Å; F52-F56 HydrophobicContact CZ-CG 4.34Å; F52-F56 WeakPolarHBondContact O-CB 3.37Å; F52-F56 PolarHBondContact O-N 3.43Å; F52-L84 HydrophobicContact CD2-CD2 3.69Å; F52-L84 HydrophobicContact CE2-CD2 4.22Å; F52-V87 HydrophobicContact CB-CG1 4.07Å; F52-F88 HydrophobicContact CD2-CE1 4.43Å; F52-F88 AromaticContact CD2-CE2 3.46Å; F52-F88 HydrophobicContact CD2-CE2 3.46Å; F52-F88 VanDerWaalsContact CD2-CE2 3.46Å; F52-F88 AromaticContact CD2-CZ 3.31Å; F52-F88 HydrophobicContact CD2-CZ 3.31Å; F52-F88 AromaticContact CE2-CE2 3.62Å; F52-F88 HydrophobicContact CE2-CE2 3.62Å; F52-F88 AromaticContact CE2-CZ 3.37Å; F52-F88 HydrophobicContact CE2-CZ 3.37Å; F52-F88 HydrophobicContact CG-CZ 4.16Å; F52-F88 HydrophobicContact CZ-CZ 4.24Å
53P94.3Very high93.8Very high64 Ų6448.8 Ų48.842%0.41624%0.243SC..Hα-helixtrans-62.5-40-178-24.635.8000113.4V49 L50 L57V49-P53 WeakPolarHBondContact O-CD 3.47Å; V49-P53 WeakPolarHBondContact O-CG 3.47Å; L50-P53 WeakPolarHBondContact O-CD 3.42Å; P53-L57 WeakPolarHBondContact O-CB 3.03Å; P53-L57 PolarHBondContact O-N 3.34Å
54I92.1Very high93.3Very high44 Ų4450.8 Ų50.823%0.22626%0.255CS..Hα-helixtrans-64.1-47.4-178.5-69.7171000110.7L50 F52 T58 I300 P303 V304 I307L50-I54 WeakPolarHBondContact O-CB 3.42Å; L50-I54 WeakPolarHBondContact O-CD1 3.33Å; L50-I54 VanDerWaalsContact O-CG1 3.24Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 3.32Å; F52-I54 PolarHBondContact O-N 3.38Å; I54-T58 WeakPolarHBondContact O-CB 3.35Å; I54-T58 PolarHBondContact O-N 3.48Å; I54-T58 PolarHBondContact O-OG1 3.19Å; I54-I300 HydrophobicContact CD1-CG2 4.07Å; I54-P303 HydrophobicContact CG2-CB 3.42Å; I54-P303 VanDerWaalsContact CG2-CB 3.42Å; I54-P303 HydrophobicContact CG2-CG 4Å; I54-V304 HydrophobicContact CD1-CG2 4.5Å; I54-I307 HydrophobicContact CG2-CD1 4.33Å
55N93.4Very high92.6Very high0 Ų052.9 Ų52.90%026%0.264CS..Hα-helixtrans-72.7-40.9-179.5-73-65.9000112.2G51 F52 L57 T58 L59 A80 D83 L84 S299 P303G51-N55 WeakPolarHBondContact O-CB 3.38Å; G51-N55 PolarHBondContact O-N 2.95Å; G51-N55 VanDerWaalsContact O-N 3.12Å; G51-N55 PolarHBondContact O-ND2 2.98Å; F52-N55 PolarHBondContact O-N 3.29Å; N55-L57 PolarHBondContact O-N 3.43Å; N55-T58 WeakPolarHBondContact O-CB 3.4Å; N55-T58 PolarHBondContact O-N 3.33Å; N55-L59 WeakPolarHBondContact O-CB 3.41Å; N55-L59 PolarHBondContact O-N 2.92Å; N55-A80 HydrophobicContact CB-CB 4.42Å; N55-D83 HydrophobicContact CB-CB 4.34Å; N55-D83 VanDerWaalsContact CG-CB 3.41Å; N55-D83 WeakPolarHBondContact ND2-CB 3.44Å; N55-D83 WeakPolarHBondContact OD1-CB 3.32Å; N55-D83 PolarHBondContact OD1-OD2 3.41Å; N55-L84 HydrophobicContact CB-CD2 3.98Å; N55-L84 HydrophobicContact CB-CG 3.87Å; N55-S299 PolarHBondContact ND2-O 3.19Å; N55-P303 WeakPolarHBondContact OD1-CG 3.49Å
56F93.8Very high91.9Very high99 Ų9955 Ų5543%0.43427%0.274SS..Hα-helixtrans-61.6-44.2175.3-178.5-99.2000111.8F52 T58 L59 Y60 L84F52-F56 HydrophobicContact CD2-CB 4.41Å; F52-F56 HydrophobicContact CE2-CB 4.07Å; F52-F56 HydrophobicContact CE2-CD2 4.32Å; F52-F56 HydrophobicContact CE2-CG 4.32Å; F52-F56 HydrophobicContact CZ-CB 4.37Å; F52-F56 HydrophobicContact CZ-CG 4.34Å; F52-F56 WeakPolarHBondContact O-CB 3.37Å; F52-F56 PolarHBondContact O-N 3.43Å; F56-T58 VanDerWaalsContact C-N 3.33Å; F56-T58 PolarHBondContact O-N 3.01Å; F56-L59 WeakPolarHBondContact O-CB 3.41Å; F56-L59 PolarHBondContact O-N 3.36Å; F56-Y60 VanDerWaalsContact O-CB 3.31Å; F56-Y60 WeakPolarHBondContact O-CB 3.35Å; F56-Y60 PolarHBondContact O-N 3.34Å; F56-L84 HydrophobicContact CB-CD2 4.49Å
57L91.2Very high91Very high47 Ų4756.7 Ų56.725%0.24628%0.277CS..Hα-helixtrans-65.9-38.3177.3-174.161.1000111.4P53 N55 Y60 V61 M317 I321P53-L57 WeakPolarHBondContact O-CB 3.03Å; P53-L57 PolarHBondContact O-N 3.34Å; N55-L57 PolarHBondContact O-N 3.43Å; L57-Y60 PolarHBondContact O-N 3.41Å; L57-V61 HydrophobicContact CD1-CG2 3.88Å; L57-V61 HydrophobicContact CG-CG2 4.13Å; L57-V61 WeakPolarHBondContact O-CB 3.34Å; L57-V61 WeakPolarHBondContact O-CG2 3.23Å; L57-V61 PolarHBondContact O-N 2.92Å; L57-M317 HydrophobicContact CB-CE 4.13Å; L57-M317 HydrophobicContact CD2-CE 3.68Å; L57-M317 HydrophobicContact CD2-CG 4.08Å; L57-M317 HydrophobicContact CD2-SD 4.22Å; L57-M317 HydrophobicContact CG-CE 3.6Å; L57-M317 HydrophobicContact CG-CG 4.4Å; L57-I321 HydrophobicContact CD2-CD1 3.94Å; L57-I321 HydrophobicContact CD2-CG1 4Å
58T89.5Confident90.2Very high6 Ų656.4 Ų56.44%0.03728%0.276CS..Hα-helixtrans-59.8-46.6175-61.60000111.3I54 N55 F56 T62 A80 F313I54-T58 WeakPolarHBondContact O-CB 3.35Å; I54-T58 PolarHBondContact O-N 3.48Å; I54-T58 PolarHBondContact O-OG1 3.19Å; N55-T58 WeakPolarHBondContact O-CB 3.4Å; N55-T58 PolarHBondContact O-N 3.33Å; F56-T58 VanDerWaalsContact C-N 3.33Å; F56-T58 PolarHBondContact O-N 3.01Å; T58-T62 WeakPolarHBondContact O-CB 3.44Å; T58-T62 PolarHBondContact O-N 3.46Å; T58-T62 PolarHBondContact O-OG1 3.01Å; T58-A80 HydrophobicContact CG2-CB 3.99Å; T58-F313 HydrophobicContact CG2-CE1 4.45Å; T58-F313 HydrophobicContact CG2-CE2 4.4Å; T58-F313 HydrophobicContact CG2-CZ 3.74Å
59L90.8Very high89.3Confident42 Ų4260.5 Ų60.522%0.2229%0.289CS..Hα-helixtrans-59.1-53.3174.4-173.881.4000111N55 F56 V61 T62 V63 L77 V81 L84N55-L59 WeakPolarHBondContact O-CB 3.41Å; N55-L59 PolarHBondContact O-N 2.92Å; F56-L59 WeakPolarHBondContact O-CB 3.41Å; F56-L59 PolarHBondContact O-N 3.36Å; L59-V61 PolarHBondContact O-N 3.47Å; L59-T62 PolarHBondContact O-N 2.93Å; L59-V63 WeakPolarHBondContact O-CG2 3.27Å; L59-V63 PolarHBondContact O-N 3.37Å; L59-V63 VanDerWaalsContact O-N 3.1Å; L59-L77 HydrophobicContact CD1-CD1 3.5Å; L59-L77 VanDerWaalsContact CD1-CD1 3.5Å; L59-L77 HydrophobicContact CD1-CG 3.85Å; L59-L77 HydrophobicContact CG-CD1 4.28Å; L59-V81 HydrophobicContact CD1-CG2 3.6Å; L59-L84 HydrophobicContact CD2-CD1 4.31Å
60Y91.1Very high88.4Confident102 Ų10258.7 Ų58.740%0.428%0.278SS..Hα-helixtrans-59.6-49.8-176.2-179.3-102000112.3F56 L57 T62 V63 Q64 T320F56-Y60 VanDerWaalsContact O-CB 3.31Å; F56-Y60 WeakPolarHBondContact O-CB 3.35Å; F56-Y60 PolarHBondContact O-N 3.34Å; L57-Y60 PolarHBondContact O-N 3.41Å; Y60-T62 VanDerWaalsContact C-N 3.32Å; Y60-T62 PolarHBondContact O-N 3Å; Y60-V63 PolarHBondContact O-N 2.84Å; Y60-Q64 HydrophobicContact CD1-CG 4.06Å; Y60-Q64 HydrophobicContact CD2-CG 4.22Å; Y60-Q64 HydrophobicContact CE1-CG 3.72Å; Y60-Q64 HydrophobicContact CE2-CG 3.88Å; Y60-Q64 HydrophobicContact CG-CG 4.3Å; Y60-Q64 WeakPolarHBondContact O-CB 3.38Å; Y60-Q64 VanDerWaalsContact O-CG 3.22Å; Y60-Q64 WeakPolarHBondContact O-CG 3.43Å; Y60-Q64 PolarHBondContact O-N 3.07Å; Y60-Q64 PolarHBondContact OH-NE2 3.05Å; Y60-T320 HydrophobicContact CD1-CG2 3.87Å; Y60-T320 HydrophobicContact CE1-CG2 3.59Å
61V89.5Confident87.3Confident0 Ų056.5 Ų56.50%027%0.268CS..Hα-helixtrans-60.5-42.5-179.7170.90000111.2L57 L59 V63 Q64 H65 L68 F313 C316 M317 T320L57-V61 HydrophobicContact CD1-CG2 3.88Å; L57-V61 HydrophobicContact CG-CG2 4.13Å; L57-V61 WeakPolarHBondContact O-CB 3.34Å; L57-V61 WeakPolarHBondContact O-CG2 3.23Å; L57-V61 PolarHBondContact O-N 2.92Å; L59-V61 PolarHBondContact O-N 3.47Å; V61-V63 VanDerWaalsContact C-N 3.34Å; V61-V63 PolarHBondContact O-N 2.92Å; V61-Q64 PolarHBondContact O-N 3.4Å; V61-H65 WeakPolarHBondContact O-CB 3.47Å; V61-H65 PolarHBondContact O-CD2 2.98Å; V61-H65 VanDerWaalsContact O-CD2 3.31Å; V61-H65 PolarHBondContact O-N 3.45Å; V61-L68 HydrophobicContact CG1-CD1 3.77Å; V61-F313 HydrophobicContact CB-CZ 4.35Å; V61-F313 HydrophobicContact CG1-CZ 4.25Å; V61-C316 HydrophobicContact CG1-CB 4.06Å; V61-M317 HydrophobicContact CG1-CB 4.32Å; V61-M317 HydrophobicContact CG2-CB 4.29Å; V61-M317 HydrophobicContact CG2-CG 4.27Å; V61-T320 HydrophobicContact CG2-CG2 4Å
62T86.6Confident86.2Confident8 Ų857.8 Ų57.85%0.04928%0.275CS..Hα-helixtrans-64.4-39.5179.5-51.70000111.9T58 L59 Y60 L68 N73 L77 F313T58-T62 WeakPolarHBondContact O-CB 3.44Å; T58-T62 PolarHBondContact O-N 3.46Å; T58-T62 PolarHBondContact O-OG1 3.01Å; L59-T62 PolarHBondContact O-N 2.93Å; Y60-T62 VanDerWaalsContact C-N 3.32Å; Y60-T62 PolarHBondContact O-N 3Å; T62-L68 HydrophobicContact CG2-CB 4.39Å; T62-N73 HydrophobicContact CG2-CB 4.42Å; T62-L77 HydrophobicContact CG2-CB 4.48Å; T62-L77 HydrophobicContact CG2-CD1 3.85Å; T62-F313 WeakPolarHBondContact OG1-CE2 3.19Å
63V87.2Confident85.5Confident79 Ų7954.2 Ų54.248%0.47926%0.259SS..Hα-helixtrans-68.7-441781720000111.4L59 Y60 V61 R69 L77L59-V63 WeakPolarHBondContact O-CG2 3.27Å; L59-V63 PolarHBondContact O-N 3.37Å; L59-V63 VanDerWaalsContact O-N 3.1Å; Y60-V63 PolarHBondContact O-N 2.84Å; V61-V63 VanDerWaalsContact C-N 3.34Å; V61-V63 PolarHBondContact O-N 2.92Å; V63-R69 PolarHBondContact O-NH2 3.03Å; V63-L77 HydrophobicContact CG2-CD1 4.28Å
64Q88.2Confident85Confident105 Ų10553.8 Ų53.849%0.49125%0.25SC..Hα-helixtrans-66.3-44.2-178.4-71.1-66.3-27.200112.4Y60 V61 K66Y60-Q64 HydrophobicContact CD1-CG 4.06Å; Y60-Q64 HydrophobicContact CD2-CG 4.22Å; Y60-Q64 HydrophobicContact CE1-CG 3.72Å; Y60-Q64 HydrophobicContact CE2-CG 3.88Å; Y60-Q64 HydrophobicContact CG-CG 4.3Å; Y60-Q64 WeakPolarHBondContact O-CB 3.38Å; Y60-Q64 VanDerWaalsContact O-CG 3.22Å; Y60-Q64 WeakPolarHBondContact O-CG 3.43Å; Y60-Q64 PolarHBondContact O-N 3.07Å; Y60-Q64 PolarHBondContact OH-NE2 3.05Å; V61-Q64 PolarHBondContact O-N 3.4Å; Q64-K66 PolarHBondContact O-N 3.32Å
65H84.9Confident84.5Confident45 Ų4552.1 Ų52.121%0.20824%0.241CC..  trans-9499-174.3-70.6-94.3000111.6V61 K67 L68 C316 T320V61-H65 WeakPolarHBondContact O-CB 3.47Å; V61-H65 PolarHBondContact O-CD2 2.98Å; V61-H65 VanDerWaalsContact O-CD2 3.31Å; V61-H65 PolarHBondContact O-N 3.45Å; H65-K67 PolarHBondContact O-N 3.24Å; H65-L68 HydrophobicContact CB-CB 4.48Å; H65-L68 HydrophobicContact CB-CD1 3.87Å; H65-L68 HydrophobicContact CB-CG 3.92Å; H65-L68 WeakPolarHBondContact O-CB 3.46Å; H65-L68 PolarHBondContact O-N 3.35Å; H65-C316 HydrophobicContact CB-CB 4.45Å; H65-C316 PolarHBondContact NE2-O 2.85Å; H65-T320 PolarHBondContact NE2-OG1 3.08Å
66K82.9Confident83.9Confident166 Ų16652.5 Ų52.572%0.72224%0.243SC*.G310 helixtrans-52.1-31.9176.2-67.3-174.6-178.6-179.20113.7Q64 L68 R69Q64-K66 PolarHBondContact O-N 3.32Å; K66-L68 PolarHBondContact O-N 2.99Å; K66-L68 VanDerWaalsContact O-N 3.15Å; K66-R69 PolarHBondContact O-N 3.46Å
67K78.9Confident83.6Confident124 Ų12449.9 Ų49.954%0.53923%0.234SC..G310 helixtrans-59.4-23176.9-66.5-176.3179.8179.70112.8H65 Q312 E332H65-K67 PolarHBondContact O-N 3.24Å; K67-Q312 PolarHBondContact O-NE2 3.1Å; K67-E332 IonicContact NZ-OE1 3.48Å; K67-E332 PolarHBondContact NZ-OE1 2.98Å
68L79.3Confident83.6Confident0 Ų048 Ų480%022%0.224CC..G310 helixtrans-88.25.7178.1-60.9179.3000113.2V61 T62 H65 K66 T70 N73 Q312 F313 C316V61-L68 HydrophobicContact CG1-CD1 3.77Å; T62-L68 HydrophobicContact CG2-CB 4.39Å; H65-L68 HydrophobicContact CB-CB 4.48Å; H65-L68 HydrophobicContact CB-CD1 3.87Å; H65-L68 HydrophobicContact CB-CG 3.92Å; H65-L68 WeakPolarHBondContact O-CB 3.46Å; H65-L68 PolarHBondContact O-N 3.35Å; K66-L68 PolarHBondContact O-N 2.99Å; K66-L68 VanDerWaalsContact O-N 3.15Å; L68-T70 PolarHBondContact O-N 2.98Å; L68-N73 VanDerWaalsContact C-ND2 3.34Å; L68-N73 VanDerWaalsContact CA-ND2 3.3Å; L68-N73 WeakPolarHBondContact CA-ND2 3.19Å; L68-N73 WeakPolarHBondContact O-CB 3.28Å; L68-N73 VanDerWaalsContact O-CG 3.26Å; L68-N73 PolarHBondContact O-ND2 3.36Å; L68-Q312 HydrophobicContact CD2-CG 3.99Å; L68-F313 HydrophobicContact CD1-CD2 3.92Å; L68-F313 HydrophobicContact CD1-CE2 4.05Å; L68-F313 HydrophobicContact CD2-CD2 4.31Å; L68-C316 HydrophobicContact CD1-CB 3.89Å; L68-C316 HydrophobicContact CG-CB 4.42Å
69R80Confident83.5Confident117 Ų11747.9 Ų47.944%0.44222%0.223SC..  trans-84.765.2176.5-61.1179.4-172.6-173.4-1.1111.2V63 K66V63-R69 PolarHBondContact O-NH2 3.03Å; K66-R69 PolarHBondContact O-N 3.46Å
70T77.8Confident83.6Confident35 Ų3546 Ų4622%0.21521%0.213CC..SBendtrans-111.6155.5174.161.50000109.5L68 L72 N73 Y74L68-T70 PolarHBondContact O-N 2.98Å; T70-L72 VanDerWaalsContact C-N 3.25Å; T70-L72 PolarHBondContact O-N 3.48Å; T70-L72 VanDerWaalsContact O-N 3.13Å; T70-N73 WeakPolarHBondContact O-CA 3.41Å; T70-N73 WeakPolarHBondContact O-CB 3.19Å; T70-N73 PolarHBondContact O-N 3.34Å; T70-N73 PolarHBondContact OG1-ND2 2.88Å; T70-N73 VanDerWaalsContact OG1-ND2 3.16Å; T70-Y74 VanDerWaalsContact O-CD2 3.3Å; T70-Y74 WeakPolarHBondContact O-CD2 3.47Å; T70-Y74 PolarHBondContact O-N 3.33Å; T70-Y74 VanDerWaalsContact O-N 3.14Å
71P71Confident83.7Confident26 Ų2643 Ų4317%0.16921%0.206CC..Hα-helixtrans-45.6-45179-35.138.7000115.4N73 Y74 F148 A153P71-N73 VanDerWaalsContact C-N 3.3Å; P71-N73 PolarHBondContact O-N 2.94Å; P71-Y74 WeakPolarHBondContact O-CB 3.15Å; P71-Y74 PolarHBondContact O-N 3.39Å; P71-F148 HydrophobicContact CB-CD1 3.54Å; P71-F148 HydrophobicContact CB-CE1 3.66Å; P71-F148 HydrophobicContact CG-CD1 3.74Å; P71-F148 HydrophobicContact CG-CE1 4.24Å; P71-A153 HydrophobicContact CB-CB 3.92Å; P71-A153 HydrophobicContact CG-CB 4.39Å
72L71.6Confident83.9Confident28 Ų2843 Ų4315%0.14721%0.206CC..Hα-helixtrans-56.8-43.9175.8-172.6159.2000112.1T70 Y74 I75 L76 L131T70-L72 VanDerWaalsContact C-N 3.25Å; T70-L72 PolarHBondContact O-N 3.48Å; T70-L72 VanDerWaalsContact O-N 3.13Å; L72-Y74 VanDerWaalsContact C-N 3.34Å; L72-Y74 PolarHBondContact O-N 3.25Å; L72-I75 PolarHBondContact O-N 2.99Å; L72-L76 HydrophobicContact CD2-CD1 3.7Å; L72-L76 HydrophobicContact CD2-CG 3.98Å; L72-L76 PolarHBondContact O-N 3.04Å; L72-L131 HydrophobicContact CG-CD1 4.27Å
73N81.4Confident84.2Confident1 Ų142.7 Ų42.71%0.00520%0.204CC..Hα-helixtrans-76.7-20.5-175.9-66-17.7000112.9T62 L68 T70 P71 I75 L76 L77T62-N73 HydrophobicContact CG2-CB 4.42Å; L68-N73 VanDerWaalsContact C-ND2 3.34Å; L68-N73 VanDerWaalsContact CA-ND2 3.3Å; L68-N73 WeakPolarHBondContact CA-ND2 3.19Å; L68-N73 WeakPolarHBondContact O-CB 3.28Å; L68-N73 VanDerWaalsContact O-CG 3.26Å; L68-N73 PolarHBondContact O-ND2 3.36Å; T70-N73 WeakPolarHBondContact O-CA 3.41Å; T70-N73 WeakPolarHBondContact O-CB 3.19Å; T70-N73 PolarHBondContact O-N 3.34Å; T70-N73 PolarHBondContact OG1-ND2 2.88Å; T70-N73 VanDerWaalsContact OG1-ND2 3.16Å; P71-N73 VanDerWaalsContact C-N 3.3Å; P71-N73 PolarHBondContact O-N 2.94Å; N73-I75 VanDerWaalsContact C-N 3.3Å; N73-L76 PolarHBondContact O-N 3.29Å; N73-L77 WeakPolarHBondContact O-CB 3.49Å; N73-L77 PolarHBondContact O-N 3.49Å
74Y84.2Confident84.6Confident56 Ų5640 Ų4022%0.2219%0.186CC..Hα-helixtrans-63.4-38.3167.6-80.5-86.9000111.4T70 P71 L72 L77 N78 E150 A153 I154T70-Y74 VanDerWaalsContact O-CD2 3.3Å; T70-Y74 WeakPolarHBondContact O-CD2 3.47Å; T70-Y74 PolarHBondContact O-N 3.33Å; T70-Y74 VanDerWaalsContact O-N 3.14Å; P71-Y74 WeakPolarHBondContact O-CB 3.15Å; P71-Y74 PolarHBondContact O-N 3.39Å; L72-Y74 VanDerWaalsContact C-N 3.34Å; L72-Y74 PolarHBondContact O-N 3.25Å; Y74-L77 WeakPolarHBondContact O-CB 3.31Å; Y74-L77 PolarHBondContact O-N 3.39Å; Y74-N78 WeakPolarHBondContact O-CB 3.29Å; Y74-N78 PolarHBondContact O-N 3.41Å; Y74-E150 HydrophobicContact CE2-CG 4.26Å; Y74-A153 HydrophobicContact CD2-CB 4.06Å; Y74-A153 HydrophobicContact CG-CB 4.2Å; Y74-I154 HydrophobicContact CE1-CG1 4.44Å
75I82.1Confident84.9Confident8 Ų839 Ų394%0.04118%0.18CC..Hα-helixtrans-69.7-37.1175.6-62.6-59.5000111.4L72 N73 N78 L79 V130 V157L72-I75 PolarHBondContact O-N 2.99Å; N73-I75 VanDerWaalsContact C-N 3.3Å; I75-N78 WeakPolarHBondContact O-CB 3.42Å; I75-N78 PolarHBondContact O-N 3.43Å; I75-L79 WeakPolarHBondContact O-CB 3.35Å; I75-L79 PolarHBondContact O-N 2.95Å; I75-V130 HydrophobicContact CD1-CB 4.24Å; I75-V130 HydrophobicContact CD1-CG1 3.77Å; I75-V130 HydrophobicContact CG1-CG1 4.27Å; I75-V157 HydrophobicContact CD1-CG2 4.03Å
76L80.1Confident85.4Confident9 Ų937 Ų375%0.04717%0.171CC..Hα-helixtrans-64.1-40.8172.9-60-174.8000112.4L72 N73 N78 L79 A80 Y306L72-L76 HydrophobicContact CD2-CD1 3.7Å; L72-L76 HydrophobicContact CD2-CG 3.98Å; L72-L76 PolarHBondContact O-N 3.04Å; N73-L76 PolarHBondContact O-N 3.29Å; L76-N78 VanDerWaalsContact C-N 3.32Å; L76-L79 PolarHBondContact O-N 2.81Å; L76-A80 WeakPolarHBondContact O-CB 3.26Å; L76-A80 PolarHBondContact O-N 3.36Å; L76-Y306 VanDerWaalsContact CD2-CB 3.48Å; L76-Y306 HydrophobicContact CD2-CD1 3.39Å; L76-Y306 HydrophobicContact CD2-CD2 3.53Å; L76-Y306 HydrophobicContact CD2-CE1 3.9Å; L76-Y306 HydrophobicContact CD2-CE2 4.1Å; L76-Y306 HydrophobicContact CD2-CG 3.16Å; L76-Y306 HydrophobicContact CG-CG 4.49Å
77L87.6Confident86Confident44 Ų4429.1 Ų29.123%0.2314%0.137CC..Hα-helixtrans-61.3-44.7174-166.485.7000110.7L59 T62 V63 N73 Y74 L79 A80 V81L59-L77 HydrophobicContact CD1-CD1 3.5Å; L59-L77 VanDerWaalsContact CD1-CD1 3.5Å; L59-L77 HydrophobicContact CD1-CG 3.85Å; L59-L77 HydrophobicContact CG-CD1 4.28Å; T62-L77 HydrophobicContact CG2-CB 4.48Å; T62-L77 HydrophobicContact CG2-CD1 3.85Å; V63-L77 HydrophobicContact CG2-CD1 4.28Å; N73-L77 WeakPolarHBondContact O-CB 3.49Å; N73-L77 PolarHBondContact O-N 3.49Å; Y74-L77 WeakPolarHBondContact O-CB 3.31Å; Y74-L77 PolarHBondContact O-N 3.39Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 3.47Å; L77-A80 PolarHBondContact O-N 3.39Å; L77-V81 WeakPolarHBondContact O-CG2 3.36Å; L77-V81 PolarHBondContact O-N 3.45Å
78N90.9Very high86.7Confident7 Ų728.8 Ų28.84%0.03714%0.136CC..Hα-helixtrans-58.7-45.5178.1-170.342.3000111.8Y74 I75 L76 V81 A82 I123 S127 V157 T160 W161Y74-N78 WeakPolarHBondContact O-CB 3.29Å; Y74-N78 PolarHBondContact O-N 3.41Å; I75-N78 WeakPolarHBondContact O-CB 3.42Å; I75-N78 PolarHBondContact O-N 3.43Å; L76-N78 VanDerWaalsContact C-N 3.32Å; N78-V81 PolarHBondContact O-N 2.96Å; N78-A82 PolarHBondContact O-N 2.7Å; N78-I123 WeakPolarHBondContact ND2-CG2 3.28Å; N78-S127 PolarHBondContact ND2-OG 3.23Å; N78-S127 VanDerWaalsContact ND2-OG 3.13Å; N78-V157 HydrophobicContact CB-CG1 4.36Å; N78-V157 HydrophobicContact CB-CG2 4.14Å; N78-T160 PolarHBondContact ND2-OG1 3.41Å; N78-W161 PolarHBondContact OD1-NE1 2.95Å
79L88.4Confident87.3Confident4 Ų429.4 Ų29.42%0.02114%0.143CC..Hα-helixtrans-65.1-43.5177.9-169.257.2000112.1I75 L76 L77 V81 A82 D83 A124 N302 Y306I75-L79 WeakPolarHBondContact O-CB 3.35Å; I75-L79 PolarHBondContact O-N 2.95Å; L76-L79 PolarHBondContact O-N 2.81Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 3.47Å; L79-V81 VanDerWaalsContact C-N 3.27Å; L79-V81 PolarHBondContact O-N 3.16Å; L79-A82 WeakPolarHBondContact O-CB 3.4Å; L79-A82 PolarHBondContact O-N 2.91Å; L79-A82 VanDerWaalsContact O-N 3.14Å; L79-D83 WeakPolarHBondContact O-CB 3.29Å; L79-D83 VanDerWaalsContact O-CG 3.3Å; L79-D83 PolarHBondContact O-N 2.86Å; L79-A124 HydrophobicContact CD1-CB 3.44Å; L79-A124 VanDerWaalsContact CD1-CB 3.44Å; L79-N302 HydrophobicContact CD2-CB 3.71Å; L79-N302 HydrophobicContact CG-CB 4.35Å; L79-Y306 HydrophobicContact CD2-CD2 4Å; L79-Y306 HydrophobicContact CD2-CE2 3.37Å
80A91.8Very high87.9Confident1 Ų123.9 Ų23.91%0.00812%0.121CC..Hα-helixtrans-59.9-38175.200000112.3N55 T58 L76 L77 L84N55-A80 HydrophobicContact CB-CB 4.42Å; T58-A80 HydrophobicContact CG2-CB 3.99Å; L76-A80 WeakPolarHBondContact O-CB 3.26Å; L76-A80 PolarHBondContact O-N 3.36Å; L77-A80 PolarHBondContact O-N 3.39Å; A80-L84 WeakPolarHBondContact O-CG 3.1Å; A80-L84 PolarHBondContact O-N 3.43Å; A80-L84 VanDerWaalsContact O-N 3.09Å
81V93.8Very high88.8Confident41 Ų4122.2 Ų22.225%0.24811%0.111CC..Hα-helixtrans-66-46174172.80000111.1L59 L77 N78 L79 D83 L84 F85 W161L59-V81 HydrophobicContact CD1-CG2 3.6Å; L77-V81 WeakPolarHBondContact O-CG2 3.36Å; L77-V81 PolarHBondContact O-N 3.45Å; N78-V81 PolarHBondContact O-N 2.96Å; L79-V81 VanDerWaalsContact C-N 3.27Å; L79-V81 PolarHBondContact O-N 3.16Å; V81-D83 PolarHBondContact O-N 3.37Å; V81-L84 PolarHBondContact O-N 2.99Å; V81-F85 HydrophobicContact CG1-CD2 3.89Å; V81-F85 HydrophobicContact CG1-CE2 3.59Å; V81-F85 VanDerWaalsContact O-CD2 3.23Å; V81-F85 WeakPolarHBondContact O-CD2 3.44Å; V81-F85 PolarHBondContact O-N 3.11Å; V81-W161 HydrophobicContact CG1-CH2 4.46Å; V81-W161 HydrophobicContact CG1-CZ2 3.99Å
82A93.7Very high90.1Very high0 Ų023.7 Ų23.70%012%0.12CC..Hα-helixtrans-60.3-44.1178.100000112.3N78 L79 L84 F85 M86 I123N78-A82 PolarHBondContact O-N 2.7Å; L79-A82 WeakPolarHBondContact O-CB 3.4Å; L79-A82 PolarHBondContact O-N 2.91Å; L79-A82 VanDerWaalsContact O-N 3.14Å; A82-L84 VanDerWaalsContact C-N 3.32Å; A82-L84 PolarHBondContact O-N 3.02Å; A82-F85 WeakPolarHBondContact O-CB 3.42Å; A82-F85 PolarHBondContact O-N 3.42Å; A82-F85 VanDerWaalsContact O-N 3.12Å; A82-M86 PolarHBondContact O-N 3.12Å; A82-I123 HydrophobicContact CB-CB 3.77Å; A82-I123 HydrophobicContact CB-CD1 3.91Å; A82-I123 HydrophobicContact CB-CG1 4.44Å; A82-I123 HydrophobicContact CB-CG2 3.62Å
83D93.7Very high91.3Very high1 Ų123.1 Ų23.11%0.00512%0.118CC..Hα-helixtrans-65.7-35.1177.8-70.5-26.4000111.5N55 L79 V81 M86 V87 S299N55-D83 HydrophobicContact CB-CB 4.34Å; N55-D83 VanDerWaalsContact CG-CB 3.41Å; N55-D83 WeakPolarHBondContact ND2-CB 3.44Å; N55-D83 WeakPolarHBondContact OD1-CB 3.32Å; N55-D83 PolarHBondContact OD1-OD2 3.41Å; L79-D83 WeakPolarHBondContact O-CB 3.29Å; L79-D83 VanDerWaalsContact O-CG 3.3Å; L79-D83 PolarHBondContact O-N 2.86Å; V81-D83 PolarHBondContact O-N 3.37Å; D83-M86 WeakPolarHBondContact O-CB 3.37Å; D83-M86 PolarHBondContact O-N 3.33Å; D83-V87 VanDerWaalsContact O-CG2 3.28Å; D83-V87 WeakPolarHBondContact O-CG2 3.28Å; D83-V87 PolarHBondContact O-N 2.98Å; D83-S299 WeakPolarHBondContact OD1-CA 3.39Å
84L95.3Very high92.1Very high23 Ų2323 Ų2312%0.1212%0.117CC..Hα-helixtrans-65.4-37.1171.9-72168.8000112.1F52 N55 F56 L59 A80 V81 A82 V87 F88F52-L84 HydrophobicContact CD2-CD2 3.69Å; F52-L84 HydrophobicContact CE2-CD2 4.22Å; N55-L84 HydrophobicContact CB-CD2 3.98Å; N55-L84 HydrophobicContact CB-CG 3.87Å; F56-L84 HydrophobicContact CB-CD2 4.49Å; L59-L84 HydrophobicContact CD2-CD1 4.31Å; A80-L84 WeakPolarHBondContact O-CG 3.1Å; A80-L84 PolarHBondContact O-N 3.43Å; A80-L84 VanDerWaalsContact O-N 3.09Å; V81-L84 PolarHBondContact O-N 2.99Å; A82-L84 VanDerWaalsContact C-N 3.32Å; A82-L84 PolarHBondContact O-N 3.02Å; L84-V87 PolarHBondContact O-N 3.43Å; L84-F88 HydrophobicContact CD2-CE2 4.07Å; L84-F88 WeakPolarHBondContact O-CD2 3.24Å; L84-F88 PolarHBondContact O-N 2.96Å
85F94.3Very high92.8Very high83 Ų8322 Ų2236%0.36412%0.115SC..Hα-helixtrans-63.4-41.2172-82.1-67.6000111.9V81 A82 G89 F116 W161V81-F85 HydrophobicContact CG1-CD2 3.89Å; V81-F85 HydrophobicContact CG1-CE2 3.59Å; V81-F85 VanDerWaalsContact O-CD2 3.23Å; V81-F85 WeakPolarHBondContact O-CD2 3.44Å; V81-F85 PolarHBondContact O-N 3.11Å; A82-F85 WeakPolarHBondContact O-CB 3.42Å; A82-F85 PolarHBondContact O-N 3.42Å; A82-F85 VanDerWaalsContact O-N 3.12Å; F85-G89 VanDerWaalsContact O-CA 3.3Å; F85-G89 WeakPolarHBondContact O-CA 3.38Å; F85-G89 PolarHBondContact O-N 2.94Å; F85-F116 HydrophobicContact CB-CD1 4.07Å; F85-F116 HydrophobicContact CD1-CD1 4.1Å; F85-F116 AromaticContact CD1-CE1 3.72Å; F85-F116 HydrophobicContact CD1-CE1 3.72Å; F85-F116 HydrophobicContact CE1-CE1 4.41Å; F85-F116 HydrophobicContact CG-CD1 4.48Å; F85-F116 HydrophobicContact CG-CE1 4.49Å; F85-W161 AromaticContact CD2-CH2 3.98Å; F85-W161 HydrophobicContact CD2-CH2 3.98Å; F85-W161 AromaticContact CE2-CH2 3.56Å; F85-W161 HydrophobicContact CE2-CH2 3.56Å; F85-W161 HydrophobicContact CE2-CZ2 4.31Å; F85-W161 HydrophobicContact CZ-CH2 4.35Å
86M94.8Very high93.5Very high4 Ų425.8 Ų25.82%0.0213%0.13CC..Iπ-helixtrans-61.1-46.7173.6-66.1-179.975.700111.3A82 D83 G90 F91 F116A82-M86 PolarHBondContact O-N 3.12Å; D83-M86 WeakPolarHBondContact O-CB 3.37Å; D83-M86 PolarHBondContact O-N 3.33Å; M86-G90 CarbonylContact O-C 3.3Å; M86-G90 VanDerWaalsContact O-CA 3.31Å; M86-G90 WeakPolarHBondContact O-CA 3.34Å; M86-G90 PolarHBondContact O-N 3.48Å; M86-F91 HydrophobicContact CB-CE1 4Å; M86-F91 HydrophobicContact CB-CE2 4.47Å; M86-F91 HydrophobicContact CB-CZ 3.95Å; M86-F91 HydrophobicContact CE-CE1 3.94Å; M86-F91 HydrophobicContact CE-CZ 3.94Å; M86-F91 WeakPolarHBondContact O-CD1 3.46Å; M86-F91 WeakPolarHBondContact O-CG 3.44Å; M86-F91 PolarHBondContact O-N 2.93Å; M86-F116 WeakPolarHBondContact CG-O 3.39Å
87V95.7Very high94.4Very high0 Ų025.3 Ų25.30%013%0.127CC..Iπ-helixtrans-63.6-50.8-177.7171.60000111.6I48 F52 D83 L84 F91 T92I48-V87 HydrophobicContact CB-CG1 4.4Å; I48-V87 HydrophobicContact CG1-CG1 4.29Å; I48-V87 HydrophobicContact CG2-CG1 4.11Å; F52-V87 HydrophobicContact CB-CG1 4.07Å; D83-V87 VanDerWaalsContact O-CG2 3.28Å; D83-V87 WeakPolarHBondContact O-CG2 3.28Å; D83-V87 PolarHBondContact O-N 2.98Å; L84-V87 PolarHBondContact O-N 3.43Å; V87-F91 HydrophobicContact CB-CD2 4.33Å; V87-F91 HydrophobicContact CG2-CD2 3.88Å; V87-F91 HydrophobicContact CG2-CE2 4Å; V87-T92 PolarHBondContact O-N 3Å
88F94.4Very high94.9Very high116 Ų11623.3 Ų23.351%0.50912%0.117SC..Iπ-helixtrans-81.9-39.7-175.7-74.6-64.9000113.8F52 L84 T92F52-F88 HydrophobicContact CD2-CE1 4.43Å; F52-F88 AromaticContact CD2-CE2 3.46Å; F52-F88 HydrophobicContact CD2-CE2 3.46Å; F52-F88 VanDerWaalsContact CD2-CE2 3.46Å; F52-F88 AromaticContact CD2-CZ 3.31Å; F52-F88 HydrophobicContact CD2-CZ 3.31Å; F52-F88 AromaticContact CE2-CE2 3.62Å; F52-F88 HydrophobicContact CE2-CE2 3.62Å; F52-F88 AromaticContact CE2-CZ 3.37Å; F52-F88 HydrophobicContact CE2-CZ 3.37Å; F52-F88 HydrophobicContact CG-CZ 4.16Å; F52-F88 HydrophobicContact CZ-CZ 4.24Å; L84-F88 HydrophobicContact CD2-CE2 4.07Å; L84-F88 WeakPolarHBondContact O-CD2 3.24Å; L84-F88 PolarHBondContact O-N 2.96Å; F88-T92 WeakPolarHBondContact O-CG2 3.5Å; F88-T92 PolarHBondContact O-OG1 3.32Å
89G90.4Very high95.3Very high14 Ų1427.7 Ų27.714%0.14414%0.14CC..Iπ-helixtrans-86.3-40.6-174.700000113.3F85 F116F85-G89 VanDerWaalsContact O-CA 3.3Å; F85-G89 WeakPolarHBondContact O-CA 3.38Å; F85-G89 PolarHBondContact O-N 2.94Å; G89-F116 WeakPolarHBondContact O-CD2 2.93Å
90G93.9Very high95.7Very high0 Ų030.8 Ų30.80%015%0.154CC..Iπ-helixtrans-96-62.2-176.700000113.1M86 T92 T93 T94M86-G90 CarbonylContact O-C 3.3Å; M86-G90 VanDerWaalsContact O-CA 3.31Å; M86-G90 WeakPolarHBondContact O-CA 3.34Å; M86-G90 PolarHBondContact O-N 3.48Å; G90-T92 VanDerWaalsContact C-N 3.3Å; G90-T92 PolarHBondContact O-N 3.46Å; G90-T93 WeakPolarHBondContact O-CA 3.2Å; G90-T93 WeakPolarHBondContact O-CB 3.27Å; G90-T93 PolarHBondContact O-N 3.04Å; G90-T94 PolarHBondContact O-N 3.36Å; G90-T94 PolarHBondContact O-OG1 2.98Å; G90-T94 VanDerWaalsContact O-OG1 3.12Å
91F96.9Very high96Very high0 Ų030.7 Ų30.70%015%0.153CC..Iπ-helixtrans-65.5-31.6-166.4-62.8-5.2000113.4M44 L47 I48 M86 V87 T93 T94 L95 K296 S299M44-F91 HydrophobicContact CE-CB 3.52Å; M44-F91 HydrophobicContact CE-CD1 3.47Å; M44-F91 VanDerWaalsContact CE-CD1 3.47Å; M44-F91 HydrophobicContact CE-CD2 4.08Å; M44-F91 HydrophobicContact CE-CE1 4.19Å; M44-F91 HydrophobicContact CE-CG 3.42Å; M44-F91 VanDerWaalsContact CE-CG 3.42Å; L47-F91 HydrophobicContact CB-CD2 4.21Å; L47-F91 HydrophobicContact CB-CE2 4.24Å; L47-F91 HydrophobicContact CD1-CE2 4.32Å; I48-F91 HydrophobicContact CD1-CB 4.01Å; I48-F91 HydrophobicContact CG1-CB 3.72Å; I48-F91 HydrophobicContact CG1-CD2 4.39Å; M86-F91 HydrophobicContact CB-CE1 4Å; M86-F91 HydrophobicContact CB-CE2 4.47Å; M86-F91 HydrophobicContact CB-CZ 3.95Å; M86-F91 HydrophobicContact CE-CE1 3.94Å; M86-F91 HydrophobicContact CE-CZ 3.94Å; M86-F91 WeakPolarHBondContact O-CD1 3.46Å; M86-F91 WeakPolarHBondContact O-CG 3.44Å; M86-F91 PolarHBondContact O-N 2.93Å; V87-F91 HydrophobicContact CB-CD2 4.33Å; V87-F91 HydrophobicContact CG2-CD2 3.88Å; V87-F91 HydrophobicContact CG2-CE2 4Å; F91-T93 VanDerWaalsContact C-N 3.28Å; F91-T93 PolarHBondContact O-N 3.44Å; F91-T94 PolarHBondContact O-N 2.75Å; F91-L95 VanDerWaalsContact O-CB 3.26Å; F91-L95 WeakPolarHBondContact O-CB 3.28Å; F91-L95 PolarHBondContact O-N 3.25Å; F91-K296 HydrophobicContact CD1-CD 4.3Å; F91-K296 HydrophobicContact CE1-CB 3.73Å; F91-K296 HydrophobicContact CE1-CD 4.04Å; F91-K296 HydrophobicContact CE1-CG 3.83Å; F91-K296 HydrophobicContact CZ-CB 3.79Å; F91-K296 HydrophobicContact CZ-CG 4.39Å; F91-K296 WeakPolarHBondContact CZ-O 3.27Å; F91-S299 VanDerWaalsContact CE2-OG 3.3Å; F91-S299 WeakPolarHBondContact CE2-OG 3.39Å
92T96.8Very high96.3Very high58 Ų5831 Ų3136%0.35615%0.15SC..Hα-helixtrans-57.8-43.417252.70000111.3V87 F88 G90 Y96V87-T92 PolarHBondContact O-N 3Å; F88-T92 WeakPolarHBondContact O-CG2 3.5Å; F88-T92 PolarHBondContact O-OG1 3.32Å; G90-T92 VanDerWaalsContact C-N 3.3Å; G90-T92 PolarHBondContact O-N 3.46Å; T92-Y96 WeakPolarHBondContact O-CB 3.35Å; T92-Y96 PolarHBondContact O-N 3.34Å; T92-Y96 VanDerWaalsContact O-N 3.12Å
93T97.5Very high96.5Very high15 Ų1531 Ų319%0.09215%0.15CC..Hα-helixtrans-65.8-51.4174.5-57.60000110.3G90 F91 L95 Y96 T97 F103 F105 G109 E113G90-T93 WeakPolarHBondContact O-CA 3.2Å; G90-T93 WeakPolarHBondContact O-CB 3.27Å; G90-T93 PolarHBondContact O-N 3.04Å; F91-T93 VanDerWaalsContact C-N 3.28Å; F91-T93 PolarHBondContact O-N 3.44Å; T93-L95 VanDerWaalsContact C-N 3.27Å; T93-L95 PolarHBondContact O-N 3.47Å; T93-Y96 PolarHBondContact O-N 3.02Å; T93-T97 HydrophobicContact CG2-CG2 4.09Å; T93-T97 WeakPolarHBondContact O-CG2 3.46Å; T93-T97 PolarHBondContact O-N 3.31Å; T93-T97 PolarHBondContact O-OG1 3.15Å; T93-F103 HydrophobicContact CG2-CE1 4.21Å; T93-F105 HydrophobicContact CG2-CD2 4.27Å; T93-G109 WeakPolarHBondContact CG2-O 3.39Å; T93-E113 HydrophobicContact CG2-CB 3.98Å; T93-E113 HydrophobicContact CG2-CG 4.29Å
94T97.9Very high96.6Very high0 Ų033.2 Ų33.20%016%0.164CC..Hα-helixtrans-57.7-37.7179.5-33.30000112.7M44 G90 F91 T97 S98 E113 C185 F293M44-T94 HydrophobicContact CE-CG2 4.04Å; M44-T94 HydrophobicContact CG-CG2 3.96Å; M44-T94 HydrophobicContact SD-CG2 4.05Å; G90-T94 PolarHBondContact O-N 3.36Å; G90-T94 PolarHBondContact O-OG1 2.98Å; G90-T94 VanDerWaalsContact O-OG1 3.12Å; F91-T94 PolarHBondContact O-N 2.75Å; T94-T97 WeakPolarHBondContact CA-OG1 3.4Å; T94-T97 PolarHBondContact O-OG1 3.04Å; T94-S98 VanDerWaalsContact O-CB 3.27Å; T94-S98 WeakPolarHBondContact O-CB 3.49Å; T94-S98 PolarHBondContact O-N 2.91Å; T94-S98 PolarHBondContact O-OG 3.31Å; T94-E113 VanDerWaalsContact OG1-CG 3.23Å; T94-E113 WeakPolarHBondContact OG1-CG 3.33Å; T94-E113 PolarHBondContact OG1-OE1 2.77Å; T94-C185 WeakPolarHBondContact CG2-O 3.4Å; T94-F293 HydrophobicContact CG2-CE1 3.66Å; T94-F293 HydrophobicContact CG2-CZ 3.74Å
95L98.5Very high96.7Very high33 Ų3337.2 Ų37.217%0.17318%0.181CC..Hα-helixtrans-62.9-51.2175170.661.1000110A41 M44 F45 I48 F91 T93 T97 S98 L99A41-L95 HydrophobicContact CB-CD1 4.05Å; A41-L95 WeakPolarHBondContact O-CD1 3.49Å; M44-L95 HydrophobicContact CB-CB 4.04Å; M44-L95 HydrophobicContact CB-CD1 4.32Å; F45-L95 HydrophobicContact CB-CD1 4.09Å; F45-L95 HydrophobicContact CD2-CD2 4.34Å; I48-L95 HydrophobicContact CD1-CB 4.08Å; I48-L95 HydrophobicContact CD1-CD2 3.78Å; F91-L95 VanDerWaalsContact O-CB 3.26Å; F91-L95 WeakPolarHBondContact O-CB 3.28Å; F91-L95 PolarHBondContact O-N 3.25Å; T93-L95 VanDerWaalsContact C-N 3.27Å; T93-L95 PolarHBondContact O-N 3.47Å; L95-T97 PolarHBondContact O-N 2.92Å; L95-S98 PolarHBondContact O-N 3.02Å; L95-L99 HydrophobicContact CD1-CD1 4.22Å; L95-L99 HydrophobicContact CD1-CG 4.31Å; L95-L99 HydrophobicContact CG-CD1 4.25Å; L95-L99 WeakPolarHBondContact O-CG 3.42Å; L95-L99 PolarHBondContact O-N 3.03Å
96Y98.3Very high96.9Very high88 Ų8833.9 Ų33.935%0.34517%0.169SC..Hα-helixtrans-63.3-43.2-178.5-166.2-102.3000111.8T92 T93 S98 L99 H100 V104 F105T92-Y96 WeakPolarHBondContact O-CB 3.35Å; T92-Y96 PolarHBondContact O-N 3.34Å; T92-Y96 VanDerWaalsContact O-N 3.12Å; T93-Y96 PolarHBondContact O-N 3.02Å; Y96-S98 VanDerWaalsContact C-N 3.34Å; Y96-S98 PolarHBondContact O-N 3.24Å; Y96-L99 PolarHBondContact O-N 3.25Å; Y96-H100 AromaticContact CD1-CD2 3.79Å; Y96-H100 AromaticContact CE1-CD2 3.52Å; Y96-H100 AromaticContact CE1-NE2 3.69Å; Y96-H100 AromaticContact CE2-CD2 3.82Å; Y96-H100 AromaticContact CE2-NE2 3.41Å; Y96-H100 WeakPolarHBondContact CE2-NE2 3.41Å; Y96-H100 AromaticContact CZ-CD2 3.53Å; Y96-H100 AromaticContact CZ-NE2 3.18Å; Y96-H100 PolarHBondContact O-CD2 2.98Å; Y96-H100 PolarHBondContact O-N 3.39Å; Y96-H100 PolarHBondContact OH-NE2 3.09Å; Y96-V104 HydrophobicContact CD1-CB 4.41Å; Y96-V104 HydrophobicContact CD1-CG2 4.43Å; Y96-V104 HydrophobicContact CE1-CB 3.96Å; Y96-V104 HydrophobicContact CE1-CG1 4.15Å; Y96-V104 HydrophobicContact CE1-CG2 4.07Å; Y96-F105 HydrophobicContact CD1-CD2 4.11Å; Y96-F105 HydrophobicContact CD1-CE1 4.34Å; Y96-F105 AromaticContact CD1-CE2 3.22Å; Y96-F105 HydrophobicContact CD1-CE2 3.22Å; Y96-F105 AromaticContact CD1-CZ 3.36Å; Y96-F105 HydrophobicContact CD1-CZ 3.36Å; Y96-F105 HydrophobicContact CE1-CE1 4.03Å; Y96-F105 AromaticContact CE1-CE2 3.77Å; Y96-F105 HydrophobicContact CE1-CE2 3.77Å; Y96-F105 AromaticContact CE1-CZ 3.41Å; Y96-F105 HydrophobicContact CE1-CZ 3.41Å; Y96-F105 VanDerWaalsContact CE1-CZ 3.41Å; Y96-F105 AromaticContact CG-CE2 3.88Å; Y96-F105 HydrophobicContact CG-CE2 3.88Å; Y96-F105 HydrophobicContact CG-CZ 4.05Å
97T98.1Very high97.1Very high0 Ų036.3 Ų36.30%019%0.186CC..Hα-helixtrans-64.6-38.5176.557.40000112.1T93 T94 L95 L99 H100 G101 Y102 F103 C185T93-T97 HydrophobicContact CG2-CG2 4.09Å; T93-T97 WeakPolarHBondContact O-CG2 3.46Å; T93-T97 PolarHBondContact O-N 3.31Å; T93-T97 PolarHBondContact O-OG1 3.15Å; T94-T97 WeakPolarHBondContact CA-OG1 3.4Å; T94-T97 PolarHBondContact O-OG1 3.04Å; L95-T97 PolarHBondContact O-N 2.92Å; T97-L99 VanDerWaalsContact C-N 3.35Å; T97-L99 PolarHBondContact O-N 2.96Å; T97-H100 PolarHBondContact O-N 3.47Å; T97-G101 WeakPolarHBondContact O-CA 3.34Å; T97-G101 PolarHBondContact O-N 2.87Å; T97-Y102 WeakPolarHBondContact CA-O 3.3Å; T97-Y102 WeakPolarHBondContact CB-O 3.42Å; T97-Y102 PolarHBondContact O-N 2.88Å; T97-F103 HydrophobicContact CG2-CB 4.38Å; T97-F103 HydrophobicContact CG2-CD1 3.56Å; T97-F103 HydrophobicContact CG2-CD2 4.39Å; T97-F103 HydrophobicContact CG2-CE1 3.77Å; T97-F103 HydrophobicContact CG2-CG 3.87Å; T97-F103 HydrophobicContact CG2-CZ 4.27Å; T97-C185 PolarHBondContact OG1-O 3.24Å
98S98.4Very high97.1Very high1 Ų141.7 Ų41.71%0.00722%0.218CC..Hα-helixtrans-66.8-33.8175.3-58.10000112.7T94 L95 Y96 H100T94-S98 VanDerWaalsContact O-CB 3.27Å; T94-S98 WeakPolarHBondContact O-CB 3.49Å; T94-S98 PolarHBondContact O-N 2.91Å; T94-S98 PolarHBondContact O-OG 3.31Å; L95-S98 PolarHBondContact O-N 3.02Å; Y96-S98 VanDerWaalsContact C-N 3.34Å; Y96-S98 PolarHBondContact O-N 3.24Å; S98-H100 VanDerWaalsContact C-N 3.29Å; S98-H100 PolarHBondContact O-N 3.26Å
99L98.4Very high97.3Very high100 Ų10036.3 Ų36.352%0.52420%0.196SC..Hα-helixtrans-67-30.3174.2-73.5169.9000112.7A41 L95 Y96 T97A41-L99 HydrophobicContact CB-CD2 3.69Å; A41-L99 HydrophobicContact CB-CG 3.9Å; L95-L99 HydrophobicContact CD1-CD1 4.22Å; L95-L99 HydrophobicContact CD1-CG 4.31Å; L95-L99 HydrophobicContact CG-CD1 4.25Å; L95-L99 WeakPolarHBondContact O-CG 3.42Å; L95-L99 PolarHBondContact O-N 3.03Å; Y96-L99 PolarHBondContact O-N 3.25Å; T97-L99 VanDerWaalsContact C-N 3.35Å; T97-L99 PolarHBondContact O-N 2.96Å
100H98.3Very high97.7Very high68 Ų6835.7 Ų35.732%0.31519%0.189SC..Hα-helixtrans-99.3-17.1-177.6-74.1-72.3000114Y29 Y96 T97 S98 Y102 V104Y29-H100 PolarHBondContact OH-O 3.3Å; Y96-H100 AromaticContact CD1-CD2 3.79Å; Y96-H100 AromaticContact CE1-CD2 3.52Å; Y96-H100 AromaticContact CE1-NE2 3.69Å; Y96-H100 AromaticContact CE2-CD2 3.82Å; Y96-H100 AromaticContact CE2-NE2 3.41Å; Y96-H100 WeakPolarHBondContact CE2-NE2 3.41Å; Y96-H100 AromaticContact CZ-CD2 3.53Å; Y96-H100 AromaticContact CZ-NE2 3.18Å; Y96-H100 PolarHBondContact O-CD2 2.98Å; Y96-H100 PolarHBondContact O-N 3.39Å; Y96-H100 PolarHBondContact OH-NE2 3.09Å; T97-H100 PolarHBondContact O-N 3.47Å; S98-H100 VanDerWaalsContact C-N 3.29Å; S98-H100 PolarHBondContact O-N 3.26Å; H100-Y102 HydrophobicContact CB-CD1 4.26Å; H100-Y102 HydrophobicContact CB-CE1 4.16Å; H100-Y102 WeakPolarHBondContact O-CD1 3.35Å; H100-V104 HydrophobicContact CB-CG2 3.45Å; H100-V104 VanDerWaalsContact CB-CG2 3.45Å
101G97.9Very high97.9Very high0 Ų038.2 Ų38.20%020%0.203CC..THydrogen-bonded Turntrans8110.4-178.800000114.9Q28 T97Q28-G101 VanDerWaalsContact CB-O 3.3Å; Q28-G101 WeakPolarHBondContact CB-O 3.41Å; Q28-G101 WeakPolarHBondContact CG-O 3.43Å; Q28-G101 PolarHBondContact N-O 3.39Å; T97-G101 WeakPolarHBondContact O-CA 3.34Å; T97-G101 PolarHBondContact O-N 2.87Å
102Y98.3Very high97.9Very high46 Ų4639.8 Ų39.818%0.1822%0.216CC..SBendtrans-166.8170.6178.673.7-75.2000111.4P23 Y26 P27 T97 H100 V104P23-Y102 WeakPolarHBondContact O-CB 3.45Å; Y26-Y102 WeakPolarHBondContact O-CB 3.3Å; P27-Y102 HydrophobicContact CB-CD1 4.16Å; P27-Y102 HydrophobicContact CG-CD1 3.81Å; P27-Y102 HydrophobicContact CG-CE1 3.9Å; T97-Y102 WeakPolarHBondContact CA-O 3.3Å; T97-Y102 WeakPolarHBondContact CB-O 3.42Å; T97-Y102 PolarHBondContact O-N 2.88Å; H100-Y102 HydrophobicContact CB-CD1 4.26Å; H100-Y102 HydrophobicContact CB-CE1 4.16Å; H100-Y102 WeakPolarHBondContact O-CD1 3.35Å; Y102-V104 HydrophobicContact CD1-CG2 4.44Å; Y102-V104 HydrophobicContact CE1-CG2 3.97Å; Y102-V104 HydrophobicContact CE2-CB 4.41Å; Y102-V104 HydrophobicContact CE2-CG2 4.08Å; Y102-V104 PolarHBondContact O-N 2.64Å
103F98.1Very high97.9Very high0 Ų037 Ų370%020%0.199CC..  trans-78.382.9177.1-85.3-90.8000112.4P23 F24 T93 T97 F105 G106 C110 E113 P180 Q184 C185 C187P23-F103 WeakPolarHBondContact O-CB 3.26Å; P23-F103 PolarHBondContact O-N 3.24Å; F24-F103 HydrophobicContact CD1-CB 3.67Å; F24-F103 HydrophobicContact CD1-CG 4.49Å; F24-F103 HydrophobicContact CE1-CB 4.03Å; F24-F103 HydrophobicContact CE1-CG 4.38Å; T93-F103 HydrophobicContact CG2-CE1 4.21Å; T97-F103 HydrophobicContact CG2-CB 4.38Å; T97-F103 HydrophobicContact CG2-CD1 3.56Å; T97-F103 HydrophobicContact CG2-CD2 4.39Å; T97-F103 HydrophobicContact CG2-CE1 3.77Å; T97-F103 HydrophobicContact CG2-CG 3.87Å; T97-F103 HydrophobicContact CG2-CZ 4.27Å; F103-F105 PolarHBondContact O-N 3.26Å; F103-G106 WeakPolarHBondContact O-CA 3.39Å; F103-G106 PolarHBondContact O-N 2.89Å; F103-C110 HydrophobicContact CD1-CB 3.93Å; F103-C110 HydrophobicContact CE1-CB 4.01Å; F103-C110 HydrophobicContact CG-CB 4.46Å; F103-E113 HydrophobicContact CE1-CB 4.13Å; F103-E113 HydrophobicContact CE1-CG 4.44Å; F103-E113 HydrophobicContact CZ-CG 4.5Å; F103-P180 HydrophobicContact CD2-CB 4.01Å; F103-P180 HydrophobicContact CD2-CG 3.91Å; F103-P180 HydrophobicContact CE2-CB 3.94Å; F103-P180 HydrophobicContact CE2-CG 4.17Å; F103-Q184 WeakPolarHBondContact CD2-O 3.48Å; F103-Q184 WeakPolarHBondContact CE2-O 3.44Å; F103-C185 WeakPolarHBondContact CZ-O 3.34Å; F103-C187 WeakPolarHBondContact CE2-SG 3.2Å; F103-C187 HydrophobicContact CZ-CB 4.1Å; F103-C187 WeakPolarHBondContact CZ-SG 3.24Å
104V97.4Very high97.9Very high49 Ų4936.3 Ų36.330%0.29719%0.194SC..THydrogen-bonded Turntrans-56.7-35.2178.5-172.90000113Y96 H100 Y102 G106Y96-V104 HydrophobicContact CD1-CB 4.41Å; Y96-V104 HydrophobicContact CD1-CG2 4.43Å; Y96-V104 HydrophobicContact CE1-CB 3.96Å; Y96-V104 HydrophobicContact CE1-CG1 4.15Å; Y96-V104 HydrophobicContact CE1-CG2 4.07Å; H100-V104 HydrophobicContact CB-CG2 3.45Å; H100-V104 VanDerWaalsContact CB-CG2 3.45Å; Y102-V104 HydrophobicContact CD1-CG2 4.44Å; Y102-V104 HydrophobicContact CE1-CG2 3.97Å; Y102-V104 HydrophobicContact CE2-CB 4.41Å; Y102-V104 HydrophobicContact CE2-CG2 4.08Å; Y102-V104 PolarHBondContact O-N 2.64Å; V104-G106 PolarHBondContact O-N 3.47Å
105F97.3Very high98Very high107 Ų10738 Ų3847%0.46920%0.202SC..THydrogen-bonded Turntrans-81.811.5177.9-55.4-58.6000113.4T93 Y96 F103 G109T93-F105 HydrophobicContact CG2-CD2 4.27Å; Y96-F105 HydrophobicContact CD1-CD2 4.11Å; Y96-F105 HydrophobicContact CD1-CE1 4.34Å; Y96-F105 AromaticContact CD1-CE2 3.22Å; Y96-F105 HydrophobicContact CD1-CE2 3.22Å; Y96-F105 AromaticContact CD1-CZ 3.36Å; Y96-F105 HydrophobicContact CD1-CZ 3.36Å; Y96-F105 HydrophobicContact CE1-CE1 4.03Å; Y96-F105 AromaticContact CE1-CE2 3.77Å; Y96-F105 HydrophobicContact CE1-CE2 3.77Å; Y96-F105 AromaticContact CE1-CZ 3.41Å; Y96-F105 HydrophobicContact CE1-CZ 3.41Å; Y96-F105 VanDerWaalsContact CE1-CZ 3.41Å; Y96-F105 AromaticContact CG-CE2 3.88Å; Y96-F105 HydrophobicContact CG-CE2 3.88Å; Y96-F105 HydrophobicContact CG-CZ 4.05Å; F103-F105 PolarHBondContact O-N 3.26Å; F105-G109 PolarHBondContact O-N 3.29Å
106G97.8Very high97.9Very high12 Ų1238.7 Ų38.712%0.12420%0.204CC..Hα-helixtrans58.7-153.9-179.300000113.2F24 F103 V104 T108 G109 C110F24-G106 VanDerWaalsContact CD1-C 3.42Å; F103-G106 WeakPolarHBondContact O-CA 3.39Å; F103-G106 PolarHBondContact O-N 2.89Å; V104-G106 PolarHBondContact O-N 3.47Å; G106-T108 PolarHBondContact O-N 2.89Å; G106-G109 PolarHBondContact O-N 3.19Å; G106-C110 PolarHBondContact O-N 3.36Å
107P97.9Very high97.8Very high56 Ų5635.2 Ų35.236%0.36419%0.193SC..Hα-helixtrans-59.4-29.2178.7-26.335.9000113.9F24 C110 N111F24-P107 HydrophobicContact CD1-CG 4.39Å; F24-P107 HydrophobicContact CD2-CG 4.41Å; F24-P107 HydrophobicContact CE1-CG 4.37Å; F24-P107 HydrophobicContact CE2-CG 4.37Å; F24-P107 HydrophobicContact CG-CG 4.4Å; F24-P107 HydrophobicContact CZ-CG 4.34Å; P107-C110 WeakPolarHBondContact O-CB 3.23Å; P107-C110 PolarHBondContact O-N 2.93Å; P107-N111 WeakPolarHBondContact O-CB 3.49Å; P107-N111 VanDerWaalsContact O-CG 3.28Å; P107-N111 PolarHBondContact O-N 2.84Å
108T97.3Very high97.7Very high112 Ų11236.3 Ų36.369%0.68720%0.199SC*.Hα-helixtrans-64.5-43.6177.9-54.70000111.8G106 C110 N111 A112G106-T108 PolarHBondContact O-N 2.89Å; T108-C110 VanDerWaalsContact C-N 3.32Å; T108-N111 PolarHBondContact O-N 3.08Å; T108-A112 PolarHBondContact O-N 3.5Å
109G97.6Very high97.7Very high4 Ų436.5 Ų36.54%0.04120%0.2CC..Hα-helixtrans-63-40.817300000112.1T93 F105 G106 N111 A112 E113T93-G109 WeakPolarHBondContact CG2-O 3.39Å; F105-G109 PolarHBondContact O-N 3.29Å; G106-G109 PolarHBondContact O-N 3.19Å; G109-N111 PolarHBondContact O-N 3.48Å; G109-A112 PolarHBondContact O-N 3.26Å; G109-E113 VanDerWaalsContact O-CB 3.28Å; G109-E113 WeakPolarHBondContact O-CB 3.24Å; G109-E113 PolarHBondContact O-N 3.32Å
110C98.4Very high97.4Very high0 Ų031.7 Ų31.70%018%0.175CC..Hα-helixtrans-62.2-42.3176.3-177.10000112.7F24 F103 G106 P107 T108 E113 G114 C187F24-C110 HydrophobicContact CE1-CB 3.88Å; F24-C110 HydrophobicContact CZ-CB 4.42Å; F103-C110 HydrophobicContact CD1-CB 3.93Å; F103-C110 HydrophobicContact CE1-CB 4.01Å; F103-C110 HydrophobicContact CG-CB 4.46Å; G106-C110 PolarHBondContact O-N 3.36Å; P107-C110 WeakPolarHBondContact O-CB 3.23Å; P107-C110 PolarHBondContact O-N 2.93Å; T108-C110 VanDerWaalsContact C-N 3.32Å; C110-E113 PolarHBondContact O-N 2.97Å; C110-G114 PolarHBondContact O-N 3.3Å; C110-C187 WeakPolarHBondContact CA-SG 3.4Å; C110-C187 HydrophobicContact CB-CB 4.11Å; C110-C187 WeakPolarHBondContact CB-SG 3.49Å; C110-C187 WeakPolarHBondContact O-CB 3.3Å; C110-C187 WeakPolarHBondContact SG-CB 3.5Å; C110-C187 CovalentContact SG-SG 2.02Å; C110-C187 PolarHBondContact SG-SG 3.3Å
111N98.2Very high97.1Very high54 Ų5428.8 Ų28.829%0.28916%0.163SC..Hα-helixtrans-62.4-45.9174.5-75.5-16.2000111.5P107 T108 G109 F115 L172P107-N111 WeakPolarHBondContact O-CB 3.49Å; P107-N111 VanDerWaalsContact O-CG 3.28Å; P107-N111 PolarHBondContact O-N 2.84Å; T108-N111 PolarHBondContact O-N 3.08Å; G109-N111 PolarHBondContact O-N 3.48Å; N111-F115 WeakPolarHBondContact O-CA 3.36Å; N111-F115 WeakPolarHBondContact O-CB 3.25Å; N111-F115 PolarHBondContact O-N 2.9Å; N111-L172 HydrophobicContact CB-CD2 3.68Å
112A97.2Very high97Very high32 Ų3229.2 Ų29.226%0.26417%0.166SC..Hα-helixtrans-61.4-47.7176.800000111.3T108 G109 F116T108-A112 PolarHBondContact O-N 3.5Å; G109-A112 PolarHBondContact O-N 3.26Å; A112-F116 WeakPolarHBondContact O-CD2 3.41Å; A112-F116 PolarHBondContact O-N 3.34Å
113E97.7Very high96.8Very high0 Ų027 Ų270%016%0.157CC..Hα-helixtrans-60.2-54.4-179.1-159.2-76.9161.600111.7T93 T94 F103 G109 C110 A117 C187 K296T93-E113 HydrophobicContact CG2-CB 3.98Å; T93-E113 HydrophobicContact CG2-CG 4.29Å; T94-E113 VanDerWaalsContact OG1-CG 3.23Å; T94-E113 WeakPolarHBondContact OG1-CG 3.33Å; T94-E113 PolarHBondContact OG1-OE1 2.77Å; F103-E113 HydrophobicContact CE1-CB 4.13Å; F103-E113 HydrophobicContact CE1-CG 4.44Å; F103-E113 HydrophobicContact CZ-CG 4.5Å; G109-E113 VanDerWaalsContact O-CB 3.28Å; G109-E113 WeakPolarHBondContact O-CB 3.24Å; G109-E113 PolarHBondContact O-N 3.32Å; C110-E113 PolarHBondContact O-N 2.97Å; E113-A117 WeakPolarHBondContact O-CB 3.45Å; E113-A117 PolarHBondContact O-N 3.29Å; E113-C187 WeakPolarHBondContact OE2-CA 3.16Å; E113-C187 WeakPolarHBondContact OE2-CB 3.29Å; E113-C187 PolarHBondContact OE2-N 3.2Å; E113-K296 IonicContact OE1-NZ 2.63Å; E113-K296 PolarHBondContact OE1-NZ 2.9Å
114G97.6Very high96.4Very high0 Ų027.3 Ų27.30%016%0.159CC..Hα-helixtrans-65.6-41.3179.700000112.8C110 T118 Y178C110-G114 PolarHBondContact O-N 3.3Å; G114-T118 VanDerWaalsContact O-CB 3.24Å; G114-T118 WeakPolarHBondContact O-CB 3.34Å; G114-T118 PolarHBondContact O-N 3.06Å; G114-T118 PolarHBondContact O-OG1 2.69Å; G114-Y178 VanDerWaalsContact C-CZ 3.48Å; G114-Y178 WeakPolarHBondContact O-CE1 3.31Å
115F98.4Very high96.1Very high35 Ų3525.4 Ų25.415%0.15415%0.147CC..Hα-helixtrans-61.8-53.5178.8175-100.1000111.8N111 A117 T118 L119 L165 A168 L172 Y178N111-F115 WeakPolarHBondContact O-CA 3.36Å; N111-F115 WeakPolarHBondContact O-CB 3.25Å; N111-F115 PolarHBondContact O-N 2.9Å; F115-A117 PolarHBondContact O-N 3.33Å; F115-T118 PolarHBondContact O-N 2.89Å; F115-L119 HydrophobicContact CE1-CD2 3.89Å; F115-L119 HydrophobicContact CZ-CD2 4.04Å; F115-L119 WeakPolarHBondContact O-CB 3.4Å; F115-L119 PolarHBondContact O-N 3.21Å; F115-L165 HydrophobicContact CE2-CD2 4.34Å; F115-L165 HydrophobicContact CZ-CD2 4.06Å; F115-A168 HydrophobicContact CD2-CB 3.82Å; F115-A168 WeakPolarHBondContact CD2-O 3.49Å; F115-A168 HydrophobicContact CE2-CB 3.79Å; F115-L172 HydrophobicContact CB-CD1 4.35Å; F115-L172 HydrophobicContact CD2-CD1 3.52Å; F115-L172 HydrophobicContact CD2-CG 4.34Å; F115-L172 HydrophobicContact CE2-CD1 4.01Å; F115-L172 HydrophobicContact CG-CD1 4.02Å; F115-Y178 HydrophobicContact CB-CE2 3.96Å
116F97.7Very high96Very high49 Ų4920.9 Ų20.922%0.21513%0.127CC..Hα-helixtrans-70.2-34.3-176.8-73.8-63.5000112.2F85 M86 G89 A112 L119 G120F85-F116 HydrophobicContact CB-CD1 4.07Å; F85-F116 HydrophobicContact CD1-CD1 4.1Å; F85-F116 AromaticContact CD1-CE1 3.72Å; F85-F116 HydrophobicContact CD1-CE1 3.72Å; F85-F116 HydrophobicContact CE1-CE1 4.41Å; F85-F116 HydrophobicContact CG-CD1 4.48Å; F85-F116 HydrophobicContact CG-CE1 4.49Å; M86-F116 WeakPolarHBondContact CG-O 3.39Å; G89-F116 WeakPolarHBondContact O-CD2 2.93Å; A112-F116 WeakPolarHBondContact O-CD2 3.41Å; A112-F116 PolarHBondContact O-N 3.34Å; F116-L119 HydrophobicContact CD1-CD2 4.46Å; F116-G120 PolarHBondContact O-N 3.36Å
117A95.6Very high95.6Very high14 Ų1420.4 Ų20.412%0.11612%0.122CC..Hα-helixtrans-63.3-45.4172.400000111.7E113 F115 G121E113-A117 WeakPolarHBondContact O-CB 3.45Å; E113-A117 PolarHBondContact O-N 3.29Å; F115-A117 PolarHBondContact O-N 3.33Å; A117-G121 PolarHBondContact O-N 3.14Å
118T96.9Very high95.1Very high23 Ų2318.4 Ų18.414%0.14111%0.108CC..Hα-helixtrans-66.5-48.4177.8-53.90000111.1G114 F115 G120 G121 E122 A168 Y178G114-T118 VanDerWaalsContact O-CB 3.24Å; G114-T118 WeakPolarHBondContact O-CB 3.34Å; G114-T118 PolarHBondContact O-N 3.06Å; G114-T118 PolarHBondContact O-OG1 2.69Å; F115-T118 PolarHBondContact O-N 2.89Å; T118-G120 VanDerWaalsContact C-N 3.34Å; T118-G120 PolarHBondContact O-N 3.25Å; T118-G121 PolarHBondContact O-N 3.13Å; T118-E122 HydrophobicContact CG2-CG 4.13Å; T118-E122 WeakPolarHBondContact O-CB 3.35Å; T118-E122 VanDerWaalsContact O-CG 3.27Å; T118-E122 WeakPolarHBondContact O-CG 3.26Å; T118-E122 PolarHBondContact O-N 3.13Å; T118-A168 HydrophobicContact CG2-CB 3.93Å; T118-Y178 VanDerWaalsContact CB-OH 3.29Å; T118-Y178 WeakPolarHBondContact CB-OH 2.9Å; T118-Y178 WeakPolarHBondContact OG1-CE1 2.88Å; T118-Y178 PolarHBondContact OG1-OH 3.09Å; T118-Y178 VanDerWaalsContact OG1-OH 3.07Å
119L97.2Very high94.9Very high5 Ų513.2 Ų13.23%0.0268%0.076CC..Hα-helixtrans-57.2-47.9-179.9-177.970.5000110.9F115 F116 I123 W161 A164 L165 A168F115-L119 HydrophobicContact CE1-CD2 3.89Å; F115-L119 HydrophobicContact CZ-CD2 4.04Å; F115-L119 WeakPolarHBondContact O-CB 3.4Å; F115-L119 PolarHBondContact O-N 3.21Å; F116-L119 HydrophobicContact CD1-CD2 4.46Å; L119-I123 HydrophobicContact CD1-CD1 4.13Å; L119-I123 HydrophobicContact CG-CD1 3.94Å; L119-I123 WeakPolarHBondContact O-CB 3.23Å; L119-I123 VanDerWaalsContact O-CG1 3.24Å; L119-I123 WeakPolarHBondContact O-CG1 3.08Å; L119-I123 PolarHBondContact O-N 3.29Å; L119-W161 HydrophobicContact CD2-CZ3 4.47Å; L119-A164 HydrophobicContact CD1-CB 3.88Å; L119-L165 HydrophobicContact CD1-CD2 3.82Å; L119-L165 HydrophobicContact CD1-CG 4.05Å; L119-A168 HydrophobicContact CB-CB 3.98Å; L119-A168 HydrophobicContact CD1-CB 4.3Å
120G93.4Very high94.6Very high0 Ų013.8 Ų13.80%08%0.079CC..Hα-helixtrans-65.2-45.3179.100000113F116 T118 E122 I123 A124F116-G120 PolarHBondContact O-N 3.36Å; T118-G120 VanDerWaalsContact C-N 3.34Å; T118-G120 PolarHBondContact O-N 3.25Å; G120-E122 PolarHBondContact O-N 2.86Å; G120-I123 PolarHBondContact O-N 2.95Å; G120-A124 WeakPolarHBondContact O-CB 3.27Å; G120-A124 PolarHBondContact O-N 3.04Å
121G91.9Very high94Very high6 Ų614 Ų146%0.0628%0.08CC..Hα-helixtrans-60.3-42.9176.600000113A117 T118 A124 L125 W265A117-G121 PolarHBondContact O-N 3.14Å; T118-G121 PolarHBondContact O-N 3.13Å; G121-A124 WeakPolarHBondContact O-CB 3.3Å; G121-A124 PolarHBondContact O-N 3.48Å; G121-L125 PolarHBondContact O-N 3.07Å; G121-W265 VanDerWaalsContact CA-CZ2 3.49Å
122E95.2Very high93.5Very high10 Ų1011.5 Ų11.55%0.0477%0.066CC..Hα-helixtrans-70-42.7177.7-72.5-69149.600112.6T118 G120 A124 L125 W126 A164 C167 H211T118-E122 HydrophobicContact CG2-CG 4.13Å; T118-E122 WeakPolarHBondContact O-CB 3.35Å; T118-E122 VanDerWaalsContact O-CG 3.27Å; T118-E122 WeakPolarHBondContact O-CG 3.26Å; T118-E122 PolarHBondContact O-N 3.13Å; G120-E122 PolarHBondContact O-N 2.86Å; E122-A124 PolarHBondContact O-N 2.96Å; E122-L125 PolarHBondContact O-N 3.4Å; E122-W126 PolarHBondContact O-N 2.94Å; E122-W126 PolarHBondContact OE2-NE1 3.16Å; E122-A164 HydrophobicContact CB-CB 3.51Å; E122-C167 HydrophobicContact CG-CB 3.93Å; E122-H211 WeakPolarHBondContact OE1-CB 3.38Å; E122-H211 IonicContact OE1-CG 2.77Å; E122-H211 IonicContact OE1-ND1 3.86Å; E122-H211 IonicContact OE2-CE1 3.83Å; E122-H211 IonicContact OE2-CG 3.96Å; E122-H211 IonicContact OE2-ND1 3.98Å; E122-H211 PolarHBondContact OE2-ND1 3.29Å
123I94.4Very high93.2Very high0 Ų013.4 Ų13.40%07%0.071CC..Hα-helixtrans-58.7-40.8174.4-69168.6000109.5N78 A82 L119 G120 S127 W161 A164N78-I123 WeakPolarHBondContact ND2-CG2 3.28Å; A82-I123 HydrophobicContact CB-CB 3.77Å; A82-I123 HydrophobicContact CB-CD1 3.91Å; A82-I123 HydrophobicContact CB-CG1 4.44Å; A82-I123 HydrophobicContact CB-CG2 3.62Å; L119-I123 HydrophobicContact CD1-CD1 4.13Å; L119-I123 HydrophobicContact CG-CD1 3.94Å; L119-I123 WeakPolarHBondContact O-CB 3.23Å; L119-I123 VanDerWaalsContact O-CG1 3.24Å; L119-I123 WeakPolarHBondContact O-CG1 3.08Å; L119-I123 PolarHBondContact O-N 3.29Å; G120-I123 PolarHBondContact O-N 2.95Å; I123-S127 WeakPolarHBondContact O-CB 3.29Å; I123-S127 PolarHBondContact O-N 2.94Å; I123-S127 PolarHBondContact O-OG 3.1Å; I123-W161 HydrophobicContact CD1-CD2 3.98Å; I123-W161 HydrophobicContact CD1-CE3 4.17Å; I123-W161 HydrophobicContact CD1-CH2 4.09Å; I123-W161 HydrophobicContact CD1-CZ2 3.9Å; I123-W161 HydrophobicContact CD1-CZ3 4.22Å; I123-A164 HydrophobicContact CB-CB 4.39Å; I123-A164 HydrophobicContact CD1-CB 4.45Å; I123-A164 HydrophobicContact CG1-CB 3.45Å; I123-A164 VanDerWaalsContact CG1-CB 3.45Å
124A89.5Confident92.7Very high6 Ų614.4 Ų14.45%0.058%0.076CC..Hα-helixtrans-62.3-47.217600000112.1L79 G120 G121 E122 S127 L128L79-A124 HydrophobicContact CD1-CB 3.44Å; L79-A124 VanDerWaalsContact CD1-CB 3.44Å; G120-A124 WeakPolarHBondContact O-CB 3.27Å; G120-A124 PolarHBondContact O-N 3.04Å; G121-A124 WeakPolarHBondContact O-CB 3.3Å; G121-A124 PolarHBondContact O-N 3.48Å; E122-A124 PolarHBondContact O-N 2.96Å; A124-S127 WeakPolarHBondContact O-CB 3.41Å; A124-S127 PolarHBondContact O-N 3.2Å; A124-L128 WeakPolarHBondContact O-CG 3.18Å; A124-L128 PolarHBondContact O-N 2.82Å
125L91.2Very high92.1Very high8 Ų817.4 Ų17.44%0.0429%0.087CC..Hα-helixtrans-58.9-53.4177.1174.256.1000112.2G121 E122 S127 L128 V129 H211 P215 I219 F261G121-L125 PolarHBondContact O-N 3.07Å; E122-L125 PolarHBondContact O-N 3.4Å; L125-S127 PolarHBondContact O-N 2.94Å; L125-L128 WeakPolarHBondContact O-CB 3.16Å; L125-L128 PolarHBondContact O-N 2.88Å; L125-V129 PolarHBondContact O-N 3.31Å; L125-V129 VanDerWaalsContact O-N 3.12Å; L125-H211 WeakPolarHBondContact CD2-O 3.49Å; L125-P215 HydrophobicContact CD1-CB 3.61Å; L125-P215 HydrophobicContact CD1-CG 4.46Å; L125-P215 HydrophobicContact CD2-CB 3.96Å; L125-P215 HydrophobicContact CD2-CG 3.95Å; L125-P215 HydrophobicContact CG-CB 3.87Å; L125-P215 HydrophobicContact CG-CG 4.21Å; L125-I219 HydrophobicContact CD1-CD1 4.26Å; L125-F261 HydrophobicContact CB-CE2 4.41Å; L125-F261 HydrophobicContact CD1-CD2 4.49Å; L125-F261 HydrophobicContact CD1-CE1 4.37Å; L125-F261 HydrophobicContact CD1-CE2 3.58Å; L125-F261 HydrophobicContact CD1-CZ 3.51Å; L125-F261 HydrophobicContact CG-CE2 4.5Å
126W94.6Very high91.5Very high13 Ų1318.4 Ų18.45%0.0499%0.09CC..Hα-helixtrans-68.1-27.6-178.5-70.9104.7000112.3E122 L128 V129 V130 F159 T160 M163 V210 H211 P215E122-W126 PolarHBondContact O-N 2.94Å; E122-W126 PolarHBondContact OE2-NE1 3.16Å; W126-L128 VanDerWaalsContact C-N 3.34Å; W126-V129 HydrophobicContact CE3-CB 4.16Å; W126-V129 HydrophobicContact CE3-CG1 4.32Å; W126-V129 HydrophobicContact CE3-CG2 4.02Å; W126-V129 HydrophobicContact CZ3-CG1 4.41Å; W126-V129 HydrophobicContact CZ3-CG2 4.36Å; W126-V129 PolarHBondContact O-N 3.23Å; W126-V130 WeakPolarHBondContact O-CG2 3.14Å; W126-V130 PolarHBondContact O-N 2.82Å; W126-F159 HydrophobicContact CD2-CE1 4.38Å; W126-F159 AromaticContact CE3-CE1 3.56Å; W126-F159 HydrophobicContact CE3-CE1 3.56Å; W126-F159 AromaticContact CE3-CZ 3.83Å; W126-F159 HydrophobicContact CE3-CZ 3.83Å; W126-F159 AromaticContact CZ3-CE1 3.99Å; W126-F159 HydrophobicContact CZ3-CE1 3.99Å; W126-F159 AromaticContact CZ3-CZ 3.82Å; W126-F159 HydrophobicContact CZ3-CZ 3.82Å; W126-T160 VanDerWaalsContact C-CG2 3.48Å; W126-T160 HydrophobicContact CB-CG2 3.83Å; W126-M163 VanDerWaalsContact CD1-CB 3.45Å; W126-M163 HydrophobicContact CD2-CB 3.65Å; W126-M163 HydrophobicContact CD2-CG 3.86Å; W126-M163 HydrophobicContact CE3-CB 4.45Å; W126-M163 HydrophobicContact CE3-CG 4.18Å; W126-M163 HydrophobicContact CG-CB 3.62Å; W126-M163 HydrophobicContact CG-CG 4.24Å; W126-M163 HydrophobicContact CH2-CE 3.63Å; W126-M163 HydrophobicContact CH2-CG 4.48Å; W126-M163 HydrophobicContact CZ2-CB 4.16Å; W126-M163 HydrophobicContact CZ2-CE 3.36Å; W126-M163 HydrophobicContact CZ2-CG 4.23Å; W126-M163 HydrophobicContact CZ3-CE 4.41Å; W126-M163 HydrophobicContact CZ3-CG 4.47Å; W126-V210 WeakPolarHBondContact CZ2-O 3.21Å; W126-H211 AromaticContact CE2-ND1 3.95Å; W126-H211 AromaticContact CZ2-ND1 3.98Å; W126-H211 AromaticContact NE1-CE1 3.85Å; W126-H211 AromaticContact NE1-ND1 3.32Å; W126-H211 PolarHBondContact NE1-ND1 3.33Å; W126-P215 HydrophobicContact CH2-CG 3.66Å; W126-P215 HydrophobicContact CZ2-CG 3.67Å; W126-P215 HydrophobicContact CZ3-CG 4.1Å
127S90.6Very high91Very high1 Ų117.1 Ų17.11%0.0079%0.087CC..Hα-helixtrans-63.1-39.2169.7-70.60000112.1N78 I123 A124 L125 V130 L131N78-S127 PolarHBondContact ND2-OG 3.23Å; N78-S127 VanDerWaalsContact ND2-OG 3.13Å; I123-S127 WeakPolarHBondContact O-CB 3.29Å; I123-S127 PolarHBondContact O-N 2.94Å; I123-S127 PolarHBondContact O-OG 3.1Å; A124-S127 WeakPolarHBondContact O-CB 3.41Å; A124-S127 PolarHBondContact O-N 3.2Å; L125-S127 PolarHBondContact O-N 2.94Å; S127-V130 PolarHBondContact O-N 3.49Å; S127-L131 WeakPolarHBondContact O-CB 3.32Å; S127-L131 PolarHBondContact O-N 3.26Å
128L86.8Confident90.4Very high15 Ų1518.6 Ų18.68%0.0799%0.094CC..Hα-helixtrans-65.4-38.8173.9-66.9171.8000111.9A124 L125 W126 L131 A132 I219 M257 F261 Y306A124-L128 WeakPolarHBondContact O-CG 3.18Å; A124-L128 PolarHBondContact O-N 2.82Å; L125-L128 WeakPolarHBondContact O-CB 3.16Å; L125-L128 PolarHBondContact O-N 2.88Å; W126-L128 VanDerWaalsContact C-N 3.34Å; L128-L131 PolarHBondContact O-N 2.83Å; L128-A132 WeakPolarHBondContact O-CB 3.44Å; L128-A132 PolarHBondContact O-N 2.97Å; L128-I219 HydrophobicContact CB-CD1 3.84Å; L128-M257 HydrophobicContact CD2-CE 3.33Å; L128-F261 HydrophobicContact CD1-CB 3.97Å; L128-F261 HydrophobicContact CD1-CD2 3.5Å; L128-F261 HydrophobicContact CD1-CE2 4.33Å; L128-F261 HydrophobicContact CD1-CG 3.91Å; L128-Y306 VanDerWaalsContact CD2-OH 3.28Å; L128-Y306 WeakPolarHBondContact CD2-OH 3.31Å
129V92.1Very high89.7Confident3 Ų319.6 Ų19.62%0.01810%0.1CC..Hα-helixtrans-62.4-49.5174.9177.70000110.8L125 W126 L131 A132 I133 P215 V218 I219L125-V129 PolarHBondContact O-N 3.31Å; L125-V129 VanDerWaalsContact O-N 3.12Å; W126-V129 HydrophobicContact CE3-CB 4.16Å; W126-V129 HydrophobicContact CE3-CG1 4.32Å; W126-V129 HydrophobicContact CE3-CG2 4.02Å; W126-V129 HydrophobicContact CZ3-CG1 4.41Å; W126-V129 HydrophobicContact CZ3-CG2 4.36Å; W126-V129 PolarHBondContact O-N 3.23Å; V129-L131 VanDerWaalsContact C-N 3.28Å; V129-L131 PolarHBondContact O-N 3.49Å; V129-A132 PolarHBondContact O-N 2.87Å; V129-A132 VanDerWaalsContact O-N 3.16Å; V129-I133 HydrophobicContact CG1-CD1 3.98Å; V129-I133 WeakPolarHBondContact O-CG1 3.27Å; V129-I133 PolarHBondContact O-N 3.35Å; V129-P215 HydrophobicContact CG2-CB 3.7Å; V129-P215 HydrophobicContact CG2-CG 4.48Å; V129-V218 HydrophobicContact CG1-CB 4.36Å; V129-V218 HydrophobicContact CG1-CG1 3.82Å; V129-I219 HydrophobicContact CG2-CD1 3.92Å; V129-I219 HydrophobicContact CG2-CG1 3.99Å
130V91.9Very high89.1Confident15 Ų1520.7 Ų20.79%0.09111%0.108CC..Hα-helixtrans-59.3-42.4178.1172.20000110.8I75 W126 S127 I133 E134 F159 T160I75-V130 HydrophobicContact CD1-CB 4.24Å; I75-V130 HydrophobicContact CD1-CG1 3.77Å; I75-V130 HydrophobicContact CG1-CG1 4.27Å; W126-V130 WeakPolarHBondContact O-CG2 3.14Å; W126-V130 PolarHBondContact O-N 2.82Å; S127-V130 PolarHBondContact O-N 3.49Å; V130-I133 PolarHBondContact O-N 2.99Å; V130-E134 WeakPolarHBondContact O-CB 3.32Å; V130-E134 PolarHBondContact O-N 3.27Å; V130-F159 HydrophobicContact CG2-CD1 4Å; V130-T160 HydrophobicContact CG2-CG2 3.97Å
131L86.1Confident88.6Confident6 Ų625.8 Ų25.83%0.03113%0.13CC..Hα-helixtrans-65.3-41176.4-174.369.3000112.1L72 S127 L128 V129 I133 E134 R135 M253 M257 Y306L72-L131 HydrophobicContact CG-CD1 4.27Å; S127-L131 WeakPolarHBondContact O-CB 3.32Å; S127-L131 PolarHBondContact O-N 3.26Å; L128-L131 PolarHBondContact O-N 2.83Å; V129-L131 VanDerWaalsContact C-N 3.28Å; V129-L131 PolarHBondContact O-N 3.49Å; L131-I133 VanDerWaalsContact C-N 3.33Å; L131-I133 PolarHBondContact O-N 3.47Å; L131-E134 PolarHBondContact O-N 3.31Å; L131-R135 HydrophobicContact CD1-CG 4.41Å; L131-R135 HydrophobicContact CG-CG 4.39Å; L131-R135 WeakPolarHBondContact O-CB 3.23Å; L131-R135 VanDerWaalsContact O-CG 3.23Å; L131-R135 WeakPolarHBondContact O-CG 3.19Å; L131-R135 PolarHBondContact O-N 3.43Å; L131-M253 HydrophobicContact CD2-CE 4.43Å; L131-M257 HydrophobicContact CD2-CE 3.31Å; L131-M257 HydrophobicContact CD2-SD 3.94Å; L131-Y306 HydrophobicContact CD2-CE1 4.36Å
132A87.7Confident88.1Confident0 Ų028.7 Ų28.70%015%0.148CC..Hα-helixtrans-61.9-42.6177.400000111.5L128 V129 Y136 I219 C222 Y223L128-A132 WeakPolarHBondContact O-CB 3.44Å; L128-A132 PolarHBondContact O-N 2.97Å; V129-A132 PolarHBondContact O-N 2.87Å; V129-A132 VanDerWaalsContact O-N 3.16Å; A132-Y136 WeakPolarHBondContact O-CB 3.41Å; A132-Y136 PolarHBondContact O-N 3.22Å; A132-I219 HydrophobicContact CB-CG1 4.28Å; A132-C222 HydrophobicContact CB-CB 3.83Å; A132-C222 WeakPolarHBondContact O-CB 3.49Å; A132-Y223 HydrophobicContact CB-CE1 4.23Å; A132-Y223 HydrophobicContact CB-CE2 4.27Å
133I90.7Very high87.6Confident73 Ų7332.9 Ų32.937%0.37417%0.169SC..Hα-helixtrans-65.5-46.9175.8-66.1169000110.9V129 V130 L131 R135 Y136 V137 V218V129-I133 HydrophobicContact CG1-CD1 3.98Å; V129-I133 WeakPolarHBondContact O-CG1 3.27Å; V129-I133 PolarHBondContact O-N 3.35Å; V130-I133 PolarHBondContact O-N 2.99Å; L131-I133 VanDerWaalsContact C-N 3.33Å; L131-I133 PolarHBondContact O-N 3.47Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.06Å; I133-Y136 PolarHBondContact O-N 3.13Å; I133-V137 HydrophobicContact CG2-CG2 4.25Å; I133-V137 WeakPolarHBondContact O-CB 3.3Å; I133-V137 VanDerWaalsContact O-CG2 3.32Å; I133-V137 WeakPolarHBondContact O-CG2 3.3Å; I133-V137 PolarHBondContact O-N 3.42Å; I133-V218 HydrophobicContact CD1-CG1 4.27Å; I133-V218 HydrophobicContact CG1-CG1 4.16Å
134E86.9Confident86.7Confident20 Ų2038.1 Ų38.19%0.09321%0.205CC..Hα-helixtrans-56.9-48.4177.6-179.7-86.6168.400111.1V130 L131 Y136 V137 V138 F148V130-E134 WeakPolarHBondContact O-CB 3.32Å; V130-E134 PolarHBondContact O-N 3.27Å; L131-E134 PolarHBondContact O-N 3.31Å; E134-Y136 PolarHBondContact O-N 2.67Å; E134-V137 PolarHBondContact O-N 2.86Å; E134-V138 HydrophobicContact CG-CG2 4.37Å; E134-V138 WeakPolarHBondContact O-CB 3.34Å; E134-V138 WeakPolarHBondContact O-CG2 3.34Å; E134-V138 PolarHBondContact O-N 3.31Å; E134-F148 HydrophobicContact CB-CD2 4.45Å; E134-F148 HydrophobicContact CB-CE2 4.22Å; E134-F148 HydrophobicContact CB-CZ 4.38Å; E134-F148 HydrophobicContact CG-CD1 4.08Å; E134-F148 HydrophobicContact CG-CD2 4.13Å; E134-F148 HydrophobicContact CG-CE1 4.2Å; E134-F148 HydrophobicContact CG-CE2 4.25Å; E134-F148 HydrophobicContact CG-CG 4.04Å; E134-F148 HydrophobicContact CG-CZ 4.28Å
135R84.5Confident86.2Confident63 Ų6345.5 Ų45.524%0.23824%0.244CC..Hα-helixtrans-61.9-44178.8-70.8-59.4-166.7-176.69.8112L131 I133 V139 L226L131-R135 HydrophobicContact CD1-CG 4.41Å; L131-R135 HydrophobicContact CG-CG 4.39Å; L131-R135 WeakPolarHBondContact O-CB 3.23Å; L131-R135 VanDerWaalsContact O-CG 3.23Å; L131-R135 WeakPolarHBondContact O-CG 3.19Å; L131-R135 PolarHBondContact O-N 3.43Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.06Å; R135-V139 VanDerWaalsContact O-CB 3.31Å; R135-V139 WeakPolarHBondContact O-CB 3.47Å; R135-V139 WeakPolarHBondContact O-CG2 3.08Å; R135-V139 PolarHBondContact O-N 3.07Å; R135-L226 HydrophobicContact CB-CD2 4.1Å
136Y87.1Confident86Confident56 Ų5649 Ų4922%0.2226%0.259CS..Hα-helixtrans-59.3-49.4175.2169.6-108.2000111.4A132 I133 E134 V138 C140 P142 Q225A132-Y136 WeakPolarHBondContact O-CB 3.41Å; A132-Y136 PolarHBondContact O-N 3.22Å; I133-Y136 PolarHBondContact O-N 3.13Å; E134-Y136 PolarHBondContact O-N 2.67Å; Y136-V138 PolarHBondContact O-N 3.43Å; Y136-C140 HydrophobicContact CD2-CB 3.82Å; Y136-C140 VanDerWaalsContact CD2-SG 3.54Å; Y136-C140 HydrophobicContact CE2-CB 3.7Å; Y136-C140 WeakPolarHBondContact O-CA 3.41Å; Y136-C140 WeakPolarHBondContact O-CB 3.36Å; Y136-C140 PolarHBondContact O-N 3.11Å; Y136-P142 HydrophobicContact CE1-CG 3.94Å; Y136-Q225 HydrophobicContact CD2-CB 3.78Å; Y136-Q225 HydrophobicContact CE2-CB 3.72Å; Y136-Q225 HydrophobicContact CE2-CG 4.14Å
137V87.3Confident85.4Confident22 Ų2258.8 Ų58.813%0.13330%0.296CS..Hα-helixtrans-66-41.7-177.8172.40000112.2I133 E134 K141 M143 F146I133-V137 HydrophobicContact CG2-CG2 4.25Å; I133-V137 WeakPolarHBondContact O-CB 3.3Å; I133-V137 VanDerWaalsContact O-CG2 3.32Å; I133-V137 WeakPolarHBondContact O-CG2 3.3Å; I133-V137 PolarHBondContact O-N 3.42Å; E134-V137 PolarHBondContact O-N 2.86Å; V137-K141 VanDerWaalsContact O-CA 3.29Å; V137-K141 WeakPolarHBondContact O-CA 3.32Å; V137-K141 PolarHBondContact O-N 3.33Å; V137-M143 HydrophobicContact CG1-CE 4.34Å; V137-F146 HydrophobicContact CG1-CD1 3.44Å; V137-F146 VanDerWaalsContact CG1-CD1 3.44Å; V137-F146 HydrophobicContact CG1-CE1 3.52Å
138V82.9Confident85.1Confident46 Ų4660.6 Ų60.628%0.27930%0.304SS..Hα-helixtrans-71.9-38.1-177.5170.10000112.2E134 Y136 K141 F148E134-V138 HydrophobicContact CG-CG2 4.37Å; E134-V138 WeakPolarHBondContact O-CB 3.34Å; E134-V138 WeakPolarHBondContact O-CG2 3.34Å; E134-V138 PolarHBondContact O-N 3.31Å; Y136-V138 PolarHBondContact O-N 3.43Å; V138-K141 WeakPolarHBondContact O-CE 3.19Å; V138-K141 WeakPolarHBondContact O-CG 3.35Å; V138-F148 HydrophobicContact CG2-CB 4.13Å
139V81.3Confident85Confident44 Ų4461.1 Ų61.127%0.26731%0.313SS..Hα-helixtrans-92.1-46.3-174.4179.60000112R135 K141 L226 V230R135-V139 VanDerWaalsContact O-CB 3.31Å; R135-V139 WeakPolarHBondContact O-CB 3.47Å; R135-V139 WeakPolarHBondContact O-CG2 3.08Å; R135-V139 PolarHBondContact O-N 3.07Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-L226 HydrophobicContact CB-CD1 3.41Å; V139-L226 VanDerWaalsContact CB-CD1 3.41Å; V139-L226 HydrophobicContact CG1-CD1 3.52Å; V139-L226 HydrophobicContact CG2-CD1 3.7Å; V139-V230 HydrophobicContact CG1-CG2 3.55Å
140C85Confident84.7Confident28 Ų2865.8 Ų65.819%0.18934%0.335CS..Hα-helixtrans-82.5-14.1-178.5-51.50000112.7Y136 T229Y136-C140 HydrophobicContact CD2-CB 3.82Å; Y136-C140 VanDerWaalsContact CD2-SG 3.54Å; Y136-C140 HydrophobicContact CE2-CB 3.7Å; Y136-C140 WeakPolarHBondContact O-CA 3.41Å; Y136-C140 WeakPolarHBondContact O-CB 3.36Å; Y136-C140 PolarHBondContact O-N 3.11Å; C140-T229 PolarHBondContact SG-OG1 3.48Å
141K83.6Confident84.6Confident106 Ų10671 Ų7146%0.46136%0.362SS..  trans40.458.4176.9-62.3-174.9-178.4170.70113.6V137 V138 V139 M143V137-K141 VanDerWaalsContact O-CA 3.29Å; V137-K141 WeakPolarHBondContact O-CA 3.32Å; V137-K141 PolarHBondContact O-N 3.33Å; V138-K141 WeakPolarHBondContact O-CE 3.19Å; V138-K141 WeakPolarHBondContact O-CG 3.35Å; V139-K141 VanDerWaalsContact C-N 3.33Å; K141-M143 PolarHBondContact O-N 2.89Å
142P81.6Confident84.8Confident67 Ų6773.9 Ų73.944%0.43538%0.375SS..  trans-64.9-15-179.229.4-36.6000113.2Y136Y136-P142 HydrophobicContact CE1-CG 3.94Å
143M82.9Confident84.8Confident98 Ų9873.9 Ų73.948%0.48338%0.375SS..SBendtrans-122128.7178.4-64.2177.1-75.800109.9V137 K141 F146V137-M143 HydrophobicContact CG1-CE 4.34Å; K141-M143 PolarHBondContact O-N 2.89Å; M143-F146 HydrophobicContact CB-CB 3.93Å; M143-F146 HydrophobicContact CE-CB 4.28Å; M143-F146 HydrophobicContact CE-CD1 4.07Å; M143-F146 HydrophobicContact CE-CD2 4.22Å; M143-F146 HydrophobicContact CE-CE1 4.49Å; M143-F146 HydrophobicContact CE-CG 3.91Å
144S76.9Confident84.8Confident110 Ų11074.8 Ų74.877%0.76938%0.38SS*.THydrogen-bonded Turntrans-66.9135174.1-174.30000110.7F146S144-F146 VanDerWaalsContact C-N 3.25Å; S144-F146 PolarHBondContact O-N 3.46Å
145N79.1Confident85.2Confident162 Ų16280 Ų8087%0.86641%0.406SS*.THydrogen-bonded Turntrans63.611.1177.3-57.4-47.9000117.3
146F85.6Confident85.6Confident80 Ų8077.5 Ų77.535%0.35140%0.399SS..  trans-77.2135172.6-179.4-96.1000111.4V137 M143 S144 F148 H152V137-F146 HydrophobicContact CG1-CD1 3.44Å; V137-F146 VanDerWaalsContact CG1-CD1 3.44Å; V137-F146 HydrophobicContact CG1-CE1 3.52Å; M143-F146 HydrophobicContact CB-CB 3.93Å; M143-F146 HydrophobicContact CE-CB 4.28Å; M143-F146 HydrophobicContact CE-CD1 4.07Å; M143-F146 HydrophobicContact CE-CD2 4.22Å; M143-F146 HydrophobicContact CE-CE1 4.49Å; M143-F146 HydrophobicContact CE-CG 3.91Å; S144-F146 VanDerWaalsContact C-N 3.25Å; S144-F146 PolarHBondContact O-N 3.46Å; F146-F148 HydrophobicContact CE1-CB 4.25Å; F146-F148 HydrophobicContact CE1-CD2 4.26Å; F146-H152 AromaticContact CE2-CE1 3.84Å; F146-H152 AromaticContact CE2-NE2 3.47Å; F146-H152 WeakPolarHBondContact CE2-NE2 3.31Å; F146-H152 AromaticContact CZ-CD2 3.82Å; F146-H152 AromaticContact CZ-CE1 3.83Å; F146-H152 AromaticContact CZ-NE2 3.54Å
147R83.1Confident86Confident219 Ų21976.3 Ų76.383%0.82640%0.398SS*.  trans-127.6122.3174.5-170.1176.2-179.8-179.91110.7G149R147-G149 PolarHBondContact O-N 2.93Å
148F83Confident86.5Confident39 Ų3977.8 Ų77.817%0.17141%0.413CS..  trans-70.396.5175-159-77.1000110.3P71 E134 V138 F146 H152 A153P71-F148 HydrophobicContact CB-CD1 3.54Å; P71-F148 HydrophobicContact CB-CE1 3.66Å; P71-F148 HydrophobicContact CG-CD1 3.74Å; P71-F148 HydrophobicContact CG-CE1 4.24Å; E134-F148 HydrophobicContact CB-CD2 4.45Å; E134-F148 HydrophobicContact CB-CE2 4.22Å; E134-F148 HydrophobicContact CB-CZ 4.38Å; E134-F148 HydrophobicContact CG-CD1 4.08Å; E134-F148 HydrophobicContact CG-CD2 4.13Å; E134-F148 HydrophobicContact CG-CE1 4.2Å; E134-F148 HydrophobicContact CG-CE2 4.25Å; E134-F148 HydrophobicContact CG-CG 4.04Å; E134-F148 HydrophobicContact CG-CZ 4.28Å; V138-F148 HydrophobicContact CG2-CB 4.13Å; F146-F148 HydrophobicContact CE1-CB 4.25Å; F146-F148 HydrophobicContact CE1-CD2 4.26Å; F148-H152 HydrophobicContact CD1-CB 3.97Å; F148-H152 HydrophobicContact CD2-CB 3.97Å; F148-H152 HydrophobicContact CE1-CB 3.66Å; F148-H152 HydrophobicContact CE2-CB 3.68Å; F148-H152 HydrophobicContact CG-CB 4.13Å; F148-H152 HydrophobicContact CZ-CB 3.52Å; F148-A153 HydrophobicContact CE1-CB 4Å
149G85.7Confident87.2Confident27 Ų2779.6 Ų79.628%0.27842%0.417SS..  trans-91.1-177.4176.900000114.4R147 N151 H152 A153R147-G149 PolarHBondContact O-N 2.93Å; G149-N151 VanDerWaalsContact C-N 3.33Å; G149-N151 PolarHBondContact O-N 2.71Å; G149-H152 PolarHBondContact N-ND1 2.82Å; G149-H152 PolarHBondContact O-N 3.21Å; G149-A153 PolarHBondContact O-N 3.17Å
150E85.1Confident87.9Confident101 Ų10177.5 Ų77.547%0.47240%0.404SS..Hα-helixtrans-60.5-38.1179.7-66.2179.4-177.800113Y74 H152 A153 I154Y74-E150 HydrophobicContact CE2-CG 4.26Å; E150-H152 VanDerWaalsContact C-N 3.29Å; E150-H152 PolarHBondContact O-N 3.37Å; E150-A153 WeakPolarHBondContact O-CA 3.5Å; E150-A153 WeakPolarHBondContact O-CB 3.36Å; E150-A153 PolarHBondContact O-N 3.21Å; E150-I154 WeakPolarHBondContact O-CG1 3.27Å; E150-I154 PolarHBondContact O-N 3.33Å
151N89.4Confident88.6Confident123 Ų12379.5 Ų79.566%0.65841%0.408SS*.Hα-helixtrans-57.8-42.7177.9-66.7-7.5000111.8G149 A153 I154 M155G149-N151 VanDerWaalsContact C-N 3.33Å; G149-N151 PolarHBondContact O-N 2.71Å; N151-A153 VanDerWaalsContact C-N 3.32Å; N151-A153 PolarHBondContact O-N 3.29Å; N151-I154 PolarHBondContact O-N 3.12Å; N151-M155 WeakPolarHBondContact O-CB 3.34Å; N151-M155 VanDerWaalsContact O-CG 3.26Å; N151-M155 WeakPolarHBondContact O-CG 3.41Å; N151-M155 PolarHBondContact O-N 3.15Å
152H90.9Very high89.3Confident67 Ų6779 Ų7931%0.3141%0.413SS..Hα-helixtrans-67.1-35.3176.9-55.996.8000111.6F146 F148 G149 E150 M155 G156F146-H152 AromaticContact CE2-CE1 3.84Å; F146-H152 AromaticContact CE2-NE2 3.47Å; F146-H152 WeakPolarHBondContact CE2-NE2 3.31Å; F146-H152 AromaticContact CZ-CD2 3.82Å; F146-H152 AromaticContact CZ-CE1 3.83Å; F146-H152 AromaticContact CZ-NE2 3.54Å; F148-H152 HydrophobicContact CD1-CB 3.97Å; F148-H152 HydrophobicContact CD2-CB 3.97Å; F148-H152 HydrophobicContact CE1-CB 3.66Å; F148-H152 HydrophobicContact CE2-CB 3.68Å; F148-H152 HydrophobicContact CG-CB 4.13Å; F148-H152 HydrophobicContact CZ-CB 3.52Å; G149-H152 PolarHBondContact N-ND1 2.82Å; G149-H152 PolarHBondContact O-N 3.21Å; E150-H152 VanDerWaalsContact C-N 3.29Å; E150-H152 PolarHBondContact O-N 3.37Å; H152-M155 PolarHBondContact O-N 3.12Å; H152-G156 PolarHBondContact O-N 2.78Å
153A88.9Confident90.1Very high1 Ų177.3 Ų77.31%0.00840%0.4CS..Hα-helixtrans-65.3-45.2175.400000111.6P71 Y74 F148 G149 E150 N151 G156 V157P71-A153 HydrophobicContact CB-CB 3.92Å; P71-A153 HydrophobicContact CG-CB 4.39Å; Y74-A153 HydrophobicContact CD2-CB 4.06Å; Y74-A153 HydrophobicContact CG-CB 4.2Å; F148-A153 HydrophobicContact CE1-CB 4Å; G149-A153 PolarHBondContact O-N 3.17Å; E150-A153 WeakPolarHBondContact O-CA 3.5Å; E150-A153 WeakPolarHBondContact O-CB 3.36Å; E150-A153 PolarHBondContact O-N 3.21Å; N151-A153 VanDerWaalsContact C-N 3.32Å; N151-A153 PolarHBondContact O-N 3.29Å; A153-G156 PolarHBondContact O-N 3.49Å; A153-V157 WeakPolarHBondContact O-CG2 3.1Å; A153-V157 PolarHBondContact O-N 2.9Å
154I90.8Very high90.8Very high91 Ų9172.7 Ų72.747%0.46738%0.377SS..Hα-helixtrans-63.8-42.3176.9-65.9167.4000110.6Y74 E150 N151 G156 V157 A158Y74-I154 HydrophobicContact CE1-CG1 4.44Å; E150-I154 WeakPolarHBondContact O-CG1 3.27Å; E150-I154 PolarHBondContact O-N 3.33Å; N151-I154 PolarHBondContact O-N 3.12Å; I154-G156 VanDerWaalsContact C-N 3.32Å; I154-G156 PolarHBondContact O-N 3.13Å; I154-V157 PolarHBondContact O-N 2.94Å; I154-A158 WeakPolarHBondContact O-CB 3.49Å; I154-A158 PolarHBondContact O-N 2.89Å
155M94.1Very high91.8Very high131 Ų13170.9 Ų70.965%0.64536%0.358SS*.Hα-helixtrans-59.5-43.3172.9-73174.666.900111.6N151 H152 A158 F159N151-M155 WeakPolarHBondContact O-CB 3.34Å; N151-M155 VanDerWaalsContact O-CG 3.26Å; N151-M155 WeakPolarHBondContact O-CG 3.41Å; N151-M155 PolarHBondContact O-N 3.15Å; H152-M155 PolarHBondContact O-N 3.12Å; M155-A158 PolarHBondContact O-N 3.41Å; M155-F159 VanDerWaalsContact O-CB 3.3Å; M155-F159 WeakPolarHBondContact O-CB 3.38Å; M155-F159 PolarHBondContact O-N 2.84Å
156G94.3Very high92.7Very high9 Ų964.7 Ų64.79%0.09333%0.33CS..Hα-helixtrans-59.4-47.1174.900000112.1H152 A153 I154 F159 T160H152-G156 PolarHBondContact O-N 2.78Å; A153-G156 PolarHBondContact O-N 3.49Å; I154-G156 VanDerWaalsContact C-N 3.32Å; I154-G156 PolarHBondContact O-N 3.13Å; G156-F159 WeakPolarHBondContact O-CB 3.38Å; G156-F159 PolarHBondContact O-N 2.86Å; G156-T160 VanDerWaalsContact O-CG2 3.3Å; G156-T160 WeakPolarHBondContact O-CG2 3.24Å; G156-T160 PolarHBondContact O-N 3.32Å
157V95Very high93.3Very high31 Ų3160.9 Ų60.919%0.18831%0.313CS..Hα-helixtrans-58.5-53.3174.91710000110.5I75 N78 A153 I154 F159 T160 W161I75-V157 HydrophobicContact CD1-CG2 4.03Å; N78-V157 HydrophobicContact CB-CG1 4.36Å; N78-V157 HydrophobicContact CB-CG2 4.14Å; A153-V157 WeakPolarHBondContact O-CG2 3.1Å; A153-V157 PolarHBondContact O-N 2.9Å; I154-V157 PolarHBondContact O-N 2.94Å; V157-F159 VanDerWaalsContact C-N 3.26Å; V157-F159 PolarHBondContact O-N 3.45Å; V157-T160 PolarHBondContact O-N 3.18Å; V157-T160 PolarHBondContact O-OG1 3.43Å; V157-W161 VanDerWaalsContact O-CD1 3.31Å; V157-W161 PolarHBondContact O-N 3.46Å
158A96.7Very high94.1Very high54 Ų5450.5 Ų50.545%0.44627%0.274SS..Hα-helixtrans-56.7-41.417900000112.1I154 M155 T160 W161 V162I154-A158 WeakPolarHBondContact O-CB 3.49Å; I154-A158 PolarHBondContact O-N 2.89Å; M155-A158 PolarHBondContact O-N 3.41Å; A158-T160 PolarHBondContact O-N 3.46Å; A158-W161 PolarHBondContact O-N 2.88Å; A158-V162 WeakPolarHBondContact O-CG2 3.43Å; A158-V162 PolarHBondContact O-N 2.77Å
159F97.5Very high94.8Very high84 Ų8449.6 Ų49.637%0.36827%0.274SS..Hα-helixtrans-58.9-44.5175.1171.8-103.6000112.3W126 V130 M155 G156 V157 W161 V162 M163W126-F159 HydrophobicContact CD2-CE1 4.38Å; W126-F159 AromaticContact CE3-CE1 3.56Å; W126-F159 HydrophobicContact CE3-CE1 3.56Å; W126-F159 AromaticContact CE3-CZ 3.83Å; W126-F159 HydrophobicContact CE3-CZ 3.83Å; W126-F159 AromaticContact CZ3-CE1 3.99Å; W126-F159 HydrophobicContact CZ3-CE1 3.99Å; W126-F159 AromaticContact CZ3-CZ 3.82Å; W126-F159 HydrophobicContact CZ3-CZ 3.82Å; V130-F159 HydrophobicContact CG2-CD1 4Å; M155-F159 VanDerWaalsContact O-CB 3.3Å; M155-F159 WeakPolarHBondContact O-CB 3.38Å; M155-F159 PolarHBondContact O-N 2.84Å; G156-F159 WeakPolarHBondContact O-CB 3.38Å; G156-F159 PolarHBondContact O-N 2.86Å; V157-F159 VanDerWaalsContact C-N 3.26Å; V157-F159 PolarHBondContact O-N 3.45Å; F159-W161 VanDerWaalsContact C-N 3.28Å; F159-W161 PolarHBondContact O-N 2.92Å; F159-V162 PolarHBondContact O-N 3.41Å; F159-M163 HydrophobicContact CD1-CG 4.43Å; F159-M163 HydrophobicContact CD2-CG 3.99Å; F159-M163 HydrophobicContact CE1-CG 4Å; F159-M163 HydrophobicContact CE2-CG 3.49Å; F159-M163 VanDerWaalsContact CE2-CG 3.49Å; F159-M163 HydrophobicContact CE2-SD 3.77Å; F159-M163 HydrophobicContact CG-CG 4.43Å; F159-M163 HydrophobicContact CZ-CG 3.49Å; F159-M163 VanDerWaalsContact CZ-CG 3.49Å; F159-M163 HydrophobicContact CZ-SD 4.11Å; F159-M163 WeakPolarHBondContact O-CG 2.88Å; F159-M163 PolarHBondContact O-N 2.93Å
160T97.1Very high95.4Very high0 Ų049.4 Ų49.40%027%0.268CS..Hα-helixtrans-59.5-38.7177.566.30000112.8N78 W126 V130 G156 V157 A158 A164N78-T160 PolarHBondContact ND2-OG1 3.41Å; W126-T160 VanDerWaalsContact C-CG2 3.48Å; W126-T160 HydrophobicContact CB-CG2 3.83Å; V130-T160 HydrophobicContact CG2-CG2 3.97Å; G156-T160 VanDerWaalsContact O-CG2 3.3Å; G156-T160 WeakPolarHBondContact O-CG2 3.24Å; G156-T160 PolarHBondContact O-N 3.32Å; V157-T160 PolarHBondContact O-N 3.18Å; V157-T160 PolarHBondContact O-OG1 3.43Å; A158-T160 PolarHBondContact O-N 3.46Å; T160-A164 WeakPolarHBondContact O-CB 3.45Å; T160-A164 PolarHBondContact O-N 3.28Å
161W98.3Very high96Very high70 Ų7045 Ų4527%0.26525%0.248SC..Hα-helixtrans-69.5-42.1178.2-80.577.9000112.1N78 V81 F85 L119 I123 V157 A158 F159 A164 L165N78-W161 PolarHBondContact OD1-NE1 2.95Å; V81-W161 HydrophobicContact CG1-CH2 4.46Å; V81-W161 HydrophobicContact CG1-CZ2 3.99Å; F85-W161 AromaticContact CD2-CH2 3.98Å; F85-W161 HydrophobicContact CD2-CH2 3.98Å; F85-W161 AromaticContact CE2-CH2 3.56Å; F85-W161 HydrophobicContact CE2-CH2 3.56Å; F85-W161 HydrophobicContact CE2-CZ2 4.31Å; F85-W161 HydrophobicContact CZ-CH2 4.35Å; L119-W161 HydrophobicContact CD2-CZ3 4.47Å; I123-W161 HydrophobicContact CD1-CD2 3.98Å; I123-W161 HydrophobicContact CD1-CE3 4.17Å; I123-W161 HydrophobicContact CD1-CH2 4.09Å; I123-W161 HydrophobicContact CD1-CZ2 3.9Å; I123-W161 HydrophobicContact CD1-CZ3 4.22Å; V157-W161 VanDerWaalsContact O-CD1 3.31Å; V157-W161 PolarHBondContact O-N 3.46Å; A158-W161 PolarHBondContact O-N 2.88Å; F159-W161 VanDerWaalsContact C-N 3.28Å; F159-W161 PolarHBondContact O-N 2.92Å; W161-A164 PolarHBondContact O-N 3.41Å; W161-L165 WeakPolarHBondContact O-CB 3.38Å; W161-L165 VanDerWaalsContact O-CG 3.31Å; W161-L165 WeakPolarHBondContact O-CG 3.47Å; W161-L165 PolarHBondContact O-N 2.93Å
162V98.6Very high96.4Very high95 Ų9542.3 Ų42.358%0.57623%0.233SC*.Hα-helixtrans-59.4-49.4175.8169.80000110.2A158 F159 L165 A166A158-V162 WeakPolarHBondContact O-CG2 3.43Å; A158-V162 PolarHBondContact O-N 2.77Å; F159-V162 PolarHBondContact O-N 3.41Å; V162-L165 PolarHBondContact O-N 3.38Å; V162-A166 WeakPolarHBondContact O-CB 2.93Å; V162-A166 PolarHBondContact O-N 3.04Å
163M98.4Very high96.8Very high32 Ų3247.2 Ų47.216%0.15825%0.254CS..Hα-helixtrans-66.2-42.4179.5-63.9-52.4-65.900111.7W126 F159 L165 A166 C167 V210 H211W126-M163 VanDerWaalsContact CD1-CB 3.45Å; W126-M163 HydrophobicContact CD2-CB 3.65Å; W126-M163 HydrophobicContact CD2-CG 3.86Å; W126-M163 HydrophobicContact CE3-CB 4.45Å; W126-M163 HydrophobicContact CE3-CG 4.18Å; W126-M163 HydrophobicContact CG-CB 3.62Å; W126-M163 HydrophobicContact CG-CG 4.24Å; W126-M163 HydrophobicContact CH2-CE 3.63Å; W126-M163 HydrophobicContact CH2-CG 4.48Å; W126-M163 HydrophobicContact CZ2-CB 4.16Å; W126-M163 HydrophobicContact CZ2-CE 3.36Å; W126-M163 HydrophobicContact CZ2-CG 4.23Å; W126-M163 HydrophobicContact CZ3-CE 4.41Å; W126-M163 HydrophobicContact CZ3-CG 4.47Å; F159-M163 HydrophobicContact CD1-CG 4.43Å; F159-M163 HydrophobicContact CD2-CG 3.99Å; F159-M163 HydrophobicContact CE1-CG 4Å; F159-M163 HydrophobicContact CE2-CG 3.49Å; F159-M163 VanDerWaalsContact CE2-CG 3.49Å; F159-M163 HydrophobicContact CE2-SD 3.77Å; F159-M163 HydrophobicContact CG-CG 4.43Å; F159-M163 HydrophobicContact CZ-CG 3.49Å; F159-M163 VanDerWaalsContact CZ-CG 3.49Å; F159-M163 HydrophobicContact CZ-SD 4.11Å; F159-M163 WeakPolarHBondContact O-CG 2.88Å; F159-M163 PolarHBondContact O-N 2.93Å; M163-L165 PolarHBondContact O-N 3.06Å; M163-A166 WeakPolarHBondContact O-CB 3.45Å; M163-A166 PolarHBondContact O-N 3.15Å; M163-A166 VanDerWaalsContact O-N 3.13Å; M163-C167 PolarHBondContact O-N 3.32Å; M163-V210 HydrophobicContact CE-CG1 4.05Å; M163-H211 PolarHBondContact O-CE1 3Å
164A98.1Very high97Very high0 Ų049.2 Ų49.20%027%0.274CS..Hα-helixtrans-63.5-41.8178.300000112.8L119 E122 I123 T160 W161 A166 C167 A168L119-A164 HydrophobicContact CD1-CB 3.88Å; E122-A164 HydrophobicContact CB-CB 3.51Å; I123-A164 HydrophobicContact CB-CB 4.39Å; I123-A164 HydrophobicContact CD1-CB 4.45Å; I123-A164 HydrophobicContact CG1-CB 3.45Å; I123-A164 VanDerWaalsContact CG1-CB 3.45Å; T160-A164 WeakPolarHBondContact O-CB 3.45Å; T160-A164 PolarHBondContact O-N 3.28Å; W161-A164 PolarHBondContact O-N 3.41Å; A164-A166 VanDerWaalsContact C-N 3.31Å; A164-A166 PolarHBondContact O-N 3.42Å; A164-C167 PolarHBondContact O-N 3.46Å; A164-A168 WeakPolarHBondContact O-CB 3.24Å; A164-A168 PolarHBondContact O-N 3.38Å
165L98.6Very high97.4Very high72 Ų7249.1 Ų49.138%0.37727%0.268SS..Hα-helixtrans-67.6-32.2173.8-72.2168.5000112.1F115 L119 W161 V162 M163 C167 A169 P170F115-L165 HydrophobicContact CE2-CD2 4.34Å; F115-L165 HydrophobicContact CZ-CD2 4.06Å; L119-L165 HydrophobicContact CD1-CD2 3.82Å; L119-L165 HydrophobicContact CD1-CG 4.05Å; W161-L165 WeakPolarHBondContact O-CB 3.38Å; W161-L165 VanDerWaalsContact O-CG 3.31Å; W161-L165 WeakPolarHBondContact O-CG 3.47Å; W161-L165 PolarHBondContact O-N 2.93Å; V162-L165 PolarHBondContact O-N 3.38Å; M163-L165 PolarHBondContact O-N 3.06Å; L165-C167 PolarHBondContact O-N 2.92Å; L165-A169 WeakPolarHBondContact O-CB 3.34Å; L165-A169 PolarHBondContact O-N 2.74Å; L165-P170 WeakPolarHBondContact O-CD 3.28Å
166A98.5Very high97.6Very high33 Ų3343 Ų4327%0.27324%0.238SC..Hα-helixtrans-64.5-15.1174.500000113.5V162 M163 A164 P170 Y206V162-A166 WeakPolarHBondContact O-CB 2.93Å; V162-A166 PolarHBondContact O-N 3.04Å; M163-A166 WeakPolarHBondContact O-CB 3.45Å; M163-A166 PolarHBondContact O-N 3.15Å; M163-A166 VanDerWaalsContact O-N 3.13Å; A164-A166 VanDerWaalsContact C-N 3.31Å; A164-A166 PolarHBondContact O-N 3.42Å; A166-P170 VanDerWaalsContact O-CG 3.3Å; A166-P170 WeakPolarHBondContact O-CG 3.46Å; A166-Y206 WeakPolarHBondContact O-CE1 3.44Å; A166-Y206 PolarHBondContact O-OH 2.93Å
167C98.3Very high97.8Very high0 Ų043.7 Ų43.70%024%0.238CC..Hα-helixtrans-106.7-45.1172.5-174.80000112.2E122 M163 A164 L165 P170 P171 F203E122-C167 HydrophobicContact CG-CB 3.93Å; M163-C167 PolarHBondContact O-N 3.32Å; A164-C167 PolarHBondContact O-N 3.46Å; L165-C167 PolarHBondContact O-N 2.92Å; C167-P170 WeakPolarHBondContact O-CD 3.14Å; C167-P171 WeakPolarHBondContact O-CD 3.42Å; C167-F203 WeakPolarHBondContact O-CZ 3.29Å
168A98.3Very high97.9Very high0 Ų042.6 Ų42.60%023%0.231CC..Hα-helixtrans-74.9-33.9-175.700000113.7F115 T118 L119 A164 Y178F115-A168 HydrophobicContact CD2-CB 3.82Å; F115-A168 WeakPolarHBondContact CD2-O 3.49Å; F115-A168 HydrophobicContact CE2-CB 3.79Å; T118-A168 HydrophobicContact CG2-CB 3.93Å; L119-A168 HydrophobicContact CB-CB 3.98Å; L119-A168 HydrophobicContact CD1-CB 4.3Å; A164-A168 WeakPolarHBondContact O-CB 3.24Å; A164-A168 PolarHBondContact O-N 3.38Å; A168-Y178 WeakPolarHBondContact CA-OH 3.49Å; A168-Y178 PolarHBondContact O-OH 3.37Å; A168-Y178 VanDerWaalsContact O-OH 3.08Å
169A98.4Very high98Very high21 Ų2140.1 Ų40.117%0.17421%0.21CC..SBendtrans-77.2-43.1-175.200000114.5L165 P171 L172 F173L165-A169 WeakPolarHBondContact O-CB 3.34Å; L165-A169 PolarHBondContact O-N 2.74Å; A169-P171 VanDerWaalsContact C-CD 3.44Å; A169-P171 VanDerWaalsContact C-N 3.35Å; A169-L172 VanDerWaalsContact O-CB 3.31Å; A169-L172 WeakPolarHBondContact O-CB 3.37Å; A169-L172 PolarHBondContact O-N 2.98Å; A169-F173 HydrophobicContact CB-CD2 4.32Å; A169-F173 HydrophobicContact CB-CE2 4.18Å; A169-F173 VanDerWaalsContact O-CD2 3.22Å; A169-F173 WeakPolarHBondContact O-CD2 3.29Å
170P98.6Very high98Very high22 Ų2236.1 Ų36.114%0.14319%0.192CC..G310 helixtrans-53.4-38.2-173.5-24.531000116.2L165 A166 C167 L172 F173 G174 W175 F203L165-P170 WeakPolarHBondContact O-CD 3.28Å; A166-P170 VanDerWaalsContact O-CG 3.3Å; A166-P170 WeakPolarHBondContact O-CG 3.46Å; C167-P170 WeakPolarHBondContact O-CD 3.14Å; P170-L172 PolarHBondContact O-N 2.97Å; P170-L172 VanDerWaalsContact O-N 3.12Å; P170-F173 CarbonylContact O-C 3.54Å; P170-F173 PolarHBondContact O-N 2.87Å; P170-G174 PolarHBondContact O-N 2.86Å; P170-W175 CarbonylContact C-O 3.41Å; P170-W175 HydrophobicContact CB-CB 3.99Å; P170-W175 HydrophobicContact CB-CD2 4.41Å; P170-W175 HydrophobicContact CB-CE3 3.84Å; P170-W175 HydrophobicContact CG-CE3 4.25Å; P170-W175 PolarHBondContact O-N 2.65Å; P170-W175 VanDerWaalsContact O-N 3.11Å; P170-F203 HydrophobicContact CB-CD2 4.26Å; P170-F203 HydrophobicContact CB-CE2 3.71Å; P170-F203 HydrophobicContact CG-CE2 4Å
171P98.2Very high98.1Very high8 Ų836.3 Ų36.35%0.05219%0.193CC..G310 helixtrans-59.3-21.8174.6-26.435.3000114.7C167 A169 W175 Y178 I189 F203C167-P171 WeakPolarHBondContact O-CD 3.42Å; A169-P171 VanDerWaalsContact C-CD 3.44Å; A169-P171 VanDerWaalsContact C-N 3.35Å; P171-W175 VanDerWaalsContact CA-O 3.24Å; P171-W175 WeakPolarHBondContact CA-O 3.35Å; P171-W175 VanDerWaalsContact N-O 3.11Å; P171-Y178 HydrophobicContact CB-CD2 3.87Å; P171-Y178 HydrophobicContact CB-CE2 3.71Å; P171-Y178 HydrophobicContact CB-CG 4.38Å; P171-Y178 HydrophobicContact CG-CE2 4.17Å; P171-I189 HydrophobicContact CB-CD1 4.35Å; P171-I189 HydrophobicContact CG-CD1 3.53Å; P171-F203 HydrophobicContact CG-CE1 4.01Å; P171-F203 HydrophobicContact CG-CE2 4.34Å; P171-F203 HydrophobicContact CG-CZ 3.76Å
172L97.9Very high98Very high67 Ų6733 Ų3335%0.35118%0.181SC..G310 helixtrans-83.1-19174.7-56.8179.7000112.9N111 F115 A169 P170 Y178N111-L172 HydrophobicContact CB-CD2 3.68Å; F115-L172 HydrophobicContact CB-CD1 4.35Å; F115-L172 HydrophobicContact CD2-CD1 3.52Å; F115-L172 HydrophobicContact CD2-CG 4.34Å; F115-L172 HydrophobicContact CE2-CD1 4.01Å; F115-L172 HydrophobicContact CG-CD1 4.02Å; A169-L172 VanDerWaalsContact O-CB 3.31Å; A169-L172 WeakPolarHBondContact O-CB 3.37Å; A169-L172 PolarHBondContact O-N 2.98Å; P170-L172 PolarHBondContact O-N 2.97Å; P170-L172 VanDerWaalsContact O-N 3.12Å; L172-Y178 HydrophobicContact CD2-CD2 3.89Å; L172-Y178 HydrophobicContact CD2-CE2 4.04Å; L172-Y178 HydrophobicContact CG-CE2 4.3Å
173F97.4Very high98Very high170 Ų17028.6 Ų28.675%0.74615%0.154SC*.THydrogen-bonded Turntrans-117.222.8-173-60.7-72.1000113.1A169 P170A169-F173 HydrophobicContact CB-CD2 4.32Å; A169-F173 HydrophobicContact CB-CE2 4.18Å; A169-F173 VanDerWaalsContact O-CD2 3.22Å; A169-F173 WeakPolarHBondContact O-CD2 3.29Å; P170-F173 CarbonylContact O-C 3.54Å; P170-F173 PolarHBondContact O-N 2.87Å
174G94.8Very high98Very high43 Ų4327.1 Ų27.144%0.44315%0.146SC..THydrogen-bonded Turntrans92.36.4169.100000115.9P170P170-G174 PolarHBondContact O-N 2.86Å
175W98.1Very high98Very high90 Ų9027.1 Ų27.134%0.34115%0.146SC..SBendtrans-108.4104168.7-17123.3000109.7P170 P171 S202 F203 Y206P170-W175 CarbonylContact C-O 3.41Å; P170-W175 HydrophobicContact CB-CB 3.99Å; P170-W175 HydrophobicContact CB-CD2 4.41Å; P170-W175 HydrophobicContact CB-CE3 3.84Å; P170-W175 HydrophobicContact CG-CE3 4.25Å; P170-W175 PolarHBondContact O-N 2.65Å; P170-W175 VanDerWaalsContact O-N 3.11Å; P171-W175 VanDerWaalsContact CA-O 3.24Å; P171-W175 WeakPolarHBondContact CA-O 3.35Å; P171-W175 VanDerWaalsContact N-O 3.11Å; W175-S202 PolarHBondContact NE1-OG 3.08Å; W175-F203 HydrophobicContact CD2-CB 4.5Å; W175-F203 AromaticContact CD2-CD2 3.69Å; W175-F203 HydrophobicContact CD2-CD2 3.69Å; W175-F203 AromaticContact CE2-CD2 3.83Å; W175-F203 HydrophobicContact CE3-CD2 4.02Å; W175-F203 HydrophobicContact CE3-CE2 4.47Å; W175-F203 HydrophobicContact CG-CB 4.41Å; W175-F203 AromaticContact CG-CD2 3.97Å; W175-F203 HydrophobicContact CG-CD2 3.97Å; W175-F203 HydrophobicContact CZ2-CD2 4.25Å; W175-F203 HydrophobicContact CZ3-CD2 4.41Å; W175-Y206 AromaticContact CH2-CD1 3.95Å; W175-Y206 HydrophobicContact CH2-CD1 3.95Å; W175-Y206 HydrophobicContact CH2-CD2 4.06Å; W175-Y206 HydrophobicContact CH2-CE1 4.35Å; W175-Y206 HydrophobicContact CH2-CE2 4.45Å; W175-Y206 AromaticContact CH2-CG 3.77Å; W175-Y206 HydrophobicContact CH2-CG 3.77Å; W175-Y206 HydrophobicContact CZ2-CD1 4.49Å; W175-Y206 HydrophobicContact CZ2-CG 4.26Å; W175-Y206 HydrophobicContact CZ3-CD1 4.38Å; W175-Y206 HydrophobicContact CZ3-CE1 4.4Å
176S98.1Very high98Very high1 Ų123.7 Ų23.71%0.00713%0.129CC..SBendtrans63.4-165.7-158.2-162.90000112.7V198 N200S176-V198 PolarHBondContact N-O 3.46Å; S176-N200 WeakPolarHBondContact CA-OD1 3.26Å
177R98.1Very high97.9Very high25 Ų2522.3 Ų22.39%0.09412%0.117CC..  trans-162158.5177.556.1178.5-178.4176.20.7110.6P7 I179 D190 T193 K195 V198P7-R177 PolarHBondContact O-NH1 3.19Å; R177-I179 HydrophobicContact CG-CG2 3.95Å; R177-D190 HydrophobicContact CG-CB 3.93Å; R177-D190 IonicContact CZ-OD2 3.23Å; R177-D190 VanDerWaalsContact CZ-OD2 3.23Å; R177-D190 IonicContact NE-OD2 2.71Å; R177-D190 PolarHBondContact NE-OD2 2.96Å; R177-D190 IonicContact NH2-OD2 2.92Å; R177-D190 PolarHBondContact NH2-OD2 3.22Å; R177-D190 PolarHBondContact O-N 2.81Å; R177-T193 PolarHBondContact NH2-OG1 3.34Å; R177-T193 VanDerWaalsContact NH2-OG1 3.1Å; R177-K195 VanDerWaalsContact CZ-CD 3.43Å; R177-V198 HydrophobicContact CG-CG2 4.49Å
178Y98.5Very high97.9Very high8 Ų822.4 Ų22.43%0.03112%0.118CC..EExtended strand (participates in β ladder)trans-84.9127166.7-70.3-64.7000110.4G114 F115 T118 A168 P171 L172 G188 I189G114-Y178 VanDerWaalsContact C-CZ 3.48Å; G114-Y178 WeakPolarHBondContact O-CE1 3.31Å; F115-Y178 HydrophobicContact CB-CE2 3.96Å; T118-Y178 VanDerWaalsContact CB-OH 3.29Å; T118-Y178 WeakPolarHBondContact CB-OH 2.9Å; T118-Y178 WeakPolarHBondContact OG1-CE1 2.88Å; T118-Y178 PolarHBondContact OG1-OH 3.09Å; T118-Y178 VanDerWaalsContact OG1-OH 3.07Å; A168-Y178 WeakPolarHBondContact CA-OH 3.49Å; A168-Y178 PolarHBondContact O-OH 3.37Å; A168-Y178 VanDerWaalsContact O-OH 3.08Å; P171-Y178 HydrophobicContact CB-CD2 3.87Å; P171-Y178 HydrophobicContact CB-CE2 3.71Å; P171-Y178 HydrophobicContact CB-CG 4.38Å; P171-Y178 HydrophobicContact CG-CE2 4.17Å; L172-Y178 HydrophobicContact CD2-CD2 3.89Å; L172-Y178 HydrophobicContact CD2-CE2 4.04Å; L172-Y178 HydrophobicContact CG-CE2 4.3Å; Y178-G188 WeakPolarHBondContact CA-O 3.22Å; Y178-I189 HydrophobicContact CD1-CD1 4.06Å; Y178-I189 HydrophobicContact CE1-CD1 3.45Å; Y178-I189 VanDerWaalsContact CE1-CD1 3.45Å; Y178-I189 HydrophobicContact CE1-CG1 4.42Å
179I98.3Very high97.8Very high1 Ų123 Ų231%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-129.4153.6174.461.5169.1000111.9R177 C187 G188 D190 Y192R177-I179 HydrophobicContact CG-CG2 3.95Å; I179-C187 VanDerWaalsContact O-CA 3.3Å; I179-C187 WeakPolarHBondContact O-CA 3.24Å; I179-G188 PolarHBondContact N-O 3.26Å; I179-G188 PolarHBondContact O-N 3.28Å; I179-D190 HydrophobicContact CD1-CB 3.91Å; I179-D190 VanDerWaalsContact CD1-CG 3.4Å; I179-D190 VanDerWaalsContact CD1-OD1 3.26Å; I179-D190 WeakPolarHBondContact CD1-OD1 3.22Å; I179-D190 HydrophobicContact CG1-CB 4.04Å; I179-D190 HydrophobicContact CG2-CB 4.49Å; I179-Y192 HydrophobicContact CD1-CD2 3.57Å; I179-Y192 HydrophobicContact CD1-CG 4.24Å; I179-Y192 HydrophobicContact CG1-CD2 4.26Å
180P98.5Very high97.8Very high0 Ų022 Ų220%011%0.113CC..EExtended strand (participates in β ladder)trans-64.4136.9177.6-22.134.9000112.2P23 F24 F103 Q184 S186P23-P180 HydrophobicContact CB-CB 4.36Å; P23-P180 HydrophobicContact CB-CG 4.29Å; P23-P180 HydrophobicContact CG-CB 4.26Å; P23-P180 HydrophobicContact CG-CG 3.92Å; F24-P180 HydrophobicContact CE1-CG 3.69Å; F24-P180 HydrophobicContact CE2-CG 4.36Å; F24-P180 HydrophobicContact CZ-CG 3.57Å; F103-P180 HydrophobicContact CD2-CB 4.01Å; F103-P180 HydrophobicContact CD2-CG 3.91Å; F103-P180 HydrophobicContact CE2-CB 3.94Å; F103-P180 HydrophobicContact CE2-CG 4.17Å; P180-Q184 HydrophobicContact CB-CB 3.95Å; P180-Q184 PolarHBondContact O-NE2 3.05Å; P180-Q184 PolarHBondContact O-OE1 3.39Å; P180-S186 CarbonylContact C-O 3.53Å; P180-S186 VanDerWaalsContact CA-O 3.28Å; P180-S186 WeakPolarHBondContact CA-O 3.23Å
181E97.3Very high97.6Very high5 Ų521.2 Ų21.22%0.02311%0.107CC..EExtended strand (participates in β ladder)trans-121.5153-175.966.1-172.7174.400112.3L183 Q184 S186 Y191 Y192 Y268 M288 A292E181-L183 PolarHBondContact O-N 2.92Å; E181-Q184 WeakPolarHBondContact O-CA 3.36Å; E181-Q184 PolarHBondContact O-N 2.84Å; E181-S186 PolarHBondContact N-O 3.15Å; E181-S186 PolarHBondContact OE1-OG 3.23Å; E181-Y191 WeakPolarHBondContact CB-OH 3.1Å; E181-Y191 PolarHBondContact OE2-OH 3.13Å; E181-Y192 HydrophobicContact CB-CE2 3.91Å; E181-Y268 PolarHBondContact OE2-OH 3.12Å; E181-M288 HydrophobicContact CB-CG 4.02Å; E181-M288 HydrophobicContact CG-CG 4.25Å; E181-A292 HydrophobicContact CG-CB 4.49Å; E181-A292 WeakPolarHBondContact OE1-CB 3.23Å
182G97.1Very high97.4Very high0 Ų021.1 Ų21.10%011%0.105CC..THydrogen-bonded Turntrans61.3-121.2177.900000113.3Q184 Y192 P285 T289G182-Q184 PolarHBondContact O-N 3.47Å; G182-Q184 VanDerWaalsContact O-N 3.1Å; G182-Q184 PolarHBondContact O-NE2 3.21Å; G182-Y192 PolarHBondContact N-OH 2.85Å; G182-P285 CarbonylContact C-O 3.39Å; G182-P285 WeakPolarHBondContact CA-O 3.14Å; G182-P285 WeakPolarHBondContact O-CB 3.43Å; G182-T289 WeakPolarHBondContact CA-OG1 3.34Å
183L98.2Very high97.2Very high3 Ų318 Ų182%0.0169%0.09CC..THydrogen-bonded Turntrans-68.84.9171.7-73.5-179.7000114L31 A32 F37 L40 E181 C185 P285 I286 T289L31-L183 HydrophobicContact CB-CD2 3.95Å; A32-L183 HydrophobicContact CB-CD1 4.22Å; A32-L183 HydrophobicContact CB-CD2 3.39Å; A32-L183 HydrophobicContact CB-CG 4.49Å; F37-L183 HydrophobicContact CE1-CB 4.15Å; F37-L183 HydrophobicContact CE2-CD2 4.44Å; F37-L183 HydrophobicContact CZ-CB 4.25Å; F37-L183 HydrophobicContact CZ-CD2 4.12Å; L40-L183 HydrophobicContact CD1-CB 4.39Å; L40-L183 HydrophobicContact CD1-CD1 3.77Å; E181-L183 PolarHBondContact O-N 2.92Å; L183-C185 VanDerWaalsContact C-N 3.27Å; L183-C185 PolarHBondContact O-N 2.94Å; L183-P285 HydrophobicContact CD2-CB 3.79Å; L183-P285 HydrophobicContact CD2-CG 4.03Å; L183-P285 HydrophobicContact CG-CB 4.36Å; L183-I286 HydrophobicContact CD1-CD1 4.14Å; L183-I286 HydrophobicContact CD2-CD1 4.1Å; L183-I286 HydrophobicContact CG-CD1 4.15Å; L183-T289 HydrophobicContact CB-CG2 4.45Å; L183-T289 HydrophobicContact CD1-CG2 4.07Å; L183-T289 HydrophobicContact CG-CG2 4.16Å; L183-T289 PolarHBondContact N-OG1 3.36Å
184Q98.3Very high96.9Very high0 Ų014.6 Ų14.60%08%0.079CC..THydrogen-bonded Turntrans67.128.4177.8-41.4-69.6-74.600112.8Y10 P23 Q28 L31 F103 P180 E181 G182Y10-Q184 PolarHBondContact O-OE1 3.39Å; P23-Q184 HydrophobicContact CB-CB 3.7Å; P23-Q184 HydrophobicContact CB-CG 4.11Å; Q28-Q184 HydrophobicContact CG-CB 4.02Å; Q28-Q184 HydrophobicContact CG-CG 4.2Å; L31-Q184 HydrophobicContact CD1-CG 3.65Å; F103-Q184 WeakPolarHBondContact CD2-O 3.48Å; F103-Q184 WeakPolarHBondContact CE2-O 3.44Å; P180-Q184 HydrophobicContact CB-CB 3.95Å; P180-Q184 PolarHBondContact O-NE2 3.05Å; P180-Q184 PolarHBondContact O-OE1 3.39Å; E181-Q184 WeakPolarHBondContact O-CA 3.36Å; E181-Q184 PolarHBondContact O-N 2.84Å; G182-Q184 PolarHBondContact O-N 3.47Å; G182-Q184 VanDerWaalsContact O-N 3.1Å; G182-Q184 PolarHBondContact O-NE2 3.21Å
185C98Very high96.8Very high0 Ų014.3 Ų14.30%07%0.065CC..THydrogen-bonded Turntrans-105.4-15.5174.7-62.40000113.2F37 L40 T94 T97 F103 L183 F293F37-C185 WeakPolarHBondContact CD1-SG 3.32Å; F37-C185 WeakPolarHBondContact CE1-SG 3.47Å; L40-C185 HydrophobicContact CD1-CB 4.47Å; T94-C185 WeakPolarHBondContact CG2-O 3.4Å; T97-C185 PolarHBondContact OG1-O 3.24Å; F103-C185 WeakPolarHBondContact CZ-O 3.34Å; L183-C185 VanDerWaalsContact C-N 3.27Å; L183-C185 PolarHBondContact O-N 2.94Å; C185-F293 HydrophobicContact CB-CZ 3.97Å
186S98Very high96.6Very high0 Ų015 Ų150%08%0.081CC..EExtended strand (participates in β ladder)trans-113.9156.9173.3-175.80000108.2P180 E181 K296P180-S186 CarbonylContact C-O 3.53Å; P180-S186 VanDerWaalsContact CA-O 3.28Å; P180-S186 WeakPolarHBondContact CA-O 3.23Å; E181-S186 PolarHBondContact N-O 3.15Å; E181-S186 PolarHBondContact OE1-OG 3.23Å; S186-K296 WeakPolarHBondContact OG-CE 3.26Å; S186-K296 PolarHBondContact OG-NZ 3.41Å
187C98.3Very high96.4Very high4 Ų422.3 Ų22.33%0.02712%0.115CC..EExtended strand (participates in β ladder)trans-120.9141172-800000111.2F103 C110 E113 I179F103-C187 WeakPolarHBondContact CE2-SG 3.2Å; F103-C187 HydrophobicContact CZ-CB 4.1Å; F103-C187 WeakPolarHBondContact CZ-SG 3.24Å; C110-C187 WeakPolarHBondContact CA-SG 3.4Å; C110-C187 HydrophobicContact CB-CB 4.11Å; C110-C187 WeakPolarHBondContact CB-SG 3.49Å; C110-C187 WeakPolarHBondContact O-CB 3.3Å; C110-C187 WeakPolarHBondContact SG-CB 3.5Å; C110-C187 CovalentContact SG-SG 2.02Å; C110-C187 PolarHBondContact SG-SG 3.3Å; E113-C187 WeakPolarHBondContact OE2-CA 3.16Å; E113-C187 WeakPolarHBondContact OE2-CB 3.29Å; E113-C187 PolarHBondContact OE2-N 3.2Å; I179-C187 VanDerWaalsContact O-CA 3.3Å; I179-C187 WeakPolarHBondContact O-CA 3.24Å
188G97.1Very high96.3Very high2 Ų222.4 Ų22.42%0.02112%0.118CC..EExtended strand (participates in β ladder)trans-140.1177.2-179.500000111.4Y178 I179Y178-G188 WeakPolarHBondContact CA-O 3.22Å; I179-G188 PolarHBondContact N-O 3.26Å; I179-G188 PolarHBondContact O-N 3.28Å
189I97.4Very high96.3Very high13 Ų1326.3 Ų26.37%0.06714%0.14CC..EExtended strand (participates in β ladder)trans-61146.4172.8-57.8-56.7000109.7P171 Y178 Y191 F203 V204P171-I189 HydrophobicContact CB-CD1 4.35Å; P171-I189 HydrophobicContact CG-CD1 3.53Å; Y178-I189 HydrophobicContact CD1-CD1 4.06Å; Y178-I189 HydrophobicContact CE1-CD1 3.45Å; Y178-I189 VanDerWaalsContact CE1-CD1 3.45Å; Y178-I189 HydrophobicContact CE1-CG1 4.42Å; I189-Y191 WeakPolarHBondContact O-CD1 3.31Å; I189-Y191 WeakPolarHBondContact O-CE1 3.16Å; I189-Y191 PolarHBondContact O-N 3.17Å; I189-F203 HydrophobicContact CB-CE1 4.48Å; I189-F203 HydrophobicContact CD1-CE1 3.68Å; I189-F203 HydrophobicContact CD1-CZ 4.3Å; I189-F203 HydrophobicContact CG1-CE1 4.03Å; I189-F203 HydrophobicContact CG2-CD1 3.58Å; I189-F203 HydrophobicContact CG2-CE1 3.6Å; I189-V204 HydrophobicContact CG2-CG2 4.16Å
190D97.7Very high96.2Very high0 Ų026.3 Ų26.30%014%0.14CC..  trans-75.986.1179.9-167.9-10.8000112.8R177 I179 Y192 T193 N200R177-D190 HydrophobicContact CG-CB 3.93Å; R177-D190 IonicContact CZ-OD2 3.23Å; R177-D190 VanDerWaalsContact CZ-OD2 3.23Å; R177-D190 IonicContact NE-OD2 2.71Å; R177-D190 PolarHBondContact NE-OD2 2.96Å; R177-D190 IonicContact NH2-OD2 2.92Å; R177-D190 PolarHBondContact NH2-OD2 3.22Å; R177-D190 PolarHBondContact O-N 2.81Å; I179-D190 HydrophobicContact CD1-CB 3.91Å; I179-D190 VanDerWaalsContact CD1-CG 3.4Å; I179-D190 VanDerWaalsContact CD1-OD1 3.26Å; I179-D190 WeakPolarHBondContact CD1-OD1 3.22Å; I179-D190 HydrophobicContact CG1-CB 4.04Å; I179-D190 HydrophobicContact CG2-CB 4.49Å; D190-Y192 PolarHBondContact OD1-N 3.2Å; D190-T193 PolarHBondContact OD1-N 3.43Å; D190-T193 PolarHBondContact OD1-OG1 3.1Å; D190-T193 PolarHBondContact OD2-OG1 3.29Å; D190-N200 PolarHBondContact OD2-ND2 3.26Å
191Y94.9Very high96.1Very high6 Ų631.7 Ų31.72%0.02417%0.165CC..  trans-91.7-4.3166.946.6-101.1000112.5E181 I189 A272 I275 F276 Q279 M288E181-Y191 WeakPolarHBondContact CB-OH 3.1Å; E181-Y191 PolarHBondContact OE2-OH 3.13Å; I189-Y191 WeakPolarHBondContact O-CD1 3.31Å; I189-Y191 WeakPolarHBondContact O-CE1 3.16Å; I189-Y191 PolarHBondContact O-N 3.17Å; Y191-A272 HydrophobicContact CD1-CB 3.85Å; Y191-A272 HydrophobicContact CE1-CB 4.12Å; Y191-A272 HydrophobicContact CG-CB 4.18Å; Y191-I275 HydrophobicContact CD2-CB 3.76Å; Y191-I275 HydrophobicContact CD2-CD1 4.09Å; Y191-I275 HydrophobicContact CD2-CG2 3.6Å; Y191-I275 HydrophobicContact CE2-CB 4.26Å; Y191-I275 HydrophobicContact CE2-CD1 3.68Å; Y191-I275 HydrophobicContact CE2-CG2 4.14Å; Y191-F276 WeakPolarHBondContact O-CA 3.3Å; Y191-Q279 PolarHBondContact O-NE2 2.82Å; Y191-M288 HydrophobicContact CD2-CE 4.43Å; Y191-M288 HydrophobicContact CE1-CE 3.7Å; Y191-M288 HydrophobicContact CE2-CE 3.53Å; Y191-M288 WeakPolarHBondContact OH-CE 3.49Å; Y191-M288 VanDerWaalsContact OH-CG 3.3Å; Y191-M288 WeakPolarHBondContact OH-CG 3.28Å
192Y93.8Very high96.1Very high5 Ų534 Ų342%0.0218%0.182CC..SBendtrans-82.9-37.7-176.5-70.8-77000113.3Y10 I179 E181 G182 D190 I275 F283Y10-Y192 AromaticContact CD1-CD1 3.38Å; Y10-Y192 HydrophobicContact CD1-CD1 3.38Å; Y10-Y192 HydrophobicContact CD1-CE1 4.05Å; Y10-Y192 AromaticContact CD1-CG 3.73Å; Y10-Y192 HydrophobicContact CD1-CG 3.73Å; Y10-Y192 AromaticContact CE1-CD1 3.7Å; Y10-Y192 HydrophobicContact CE1-CD1 3.7Å; Y10-Y192 HydrophobicContact CE1-CE1 4.3Å; Y10-Y192 HydrophobicContact CE1-CG 4.43Å; Y10-Y192 HydrophobicContact CG-CD1 4.17Å; Y10-Y192 HydrophobicContact CG-CG 4.09Å; I179-Y192 HydrophobicContact CD1-CD2 3.57Å; I179-Y192 HydrophobicContact CD1-CG 4.24Å; I179-Y192 HydrophobicContact CG1-CD2 4.26Å; E181-Y192 HydrophobicContact CB-CE2 3.91Å; G182-Y192 PolarHBondContact N-OH 2.85Å; D190-Y192 PolarHBondContact OD1-N 3.2Å; Y192-I275 HydrophobicContact CD1-CG2 3.55Å; Y192-I275 HydrophobicContact CE1-CD1 3.9Å; Y192-I275 HydrophobicContact CE1-CG2 3.88Å; Y192-I275 HydrophobicContact CG-CG2 4.21Å; Y192-F283 AromaticContact CD1-CE2 3.75Å; Y192-F283 HydrophobicContact CD1-CE2 3.75Å; Y192-F283 AromaticContact CD1-CZ 3.97Å; Y192-F283 HydrophobicContact CD1-CZ 3.97Å; Y192-F283 HydrophobicContact CE1-CD2 4.38Å; Y192-F283 AromaticContact CE1-CE2 3.56Å; Y192-F283 HydrophobicContact CE1-CE2 3.56Å; Y192-F283 HydrophobicContact CE1-CZ 4.2Å
193T93.7Very high96.1Very high3 Ų334 Ų342%0.01818%0.182CC..  trans-122.2142-17166.80000112.4E5 Y10 R177 D190 K195 N200E5-T193 HydrophobicContact CG-CG2 3.91Å; E5-T193 WeakPolarHBondContact OE1-CG2 3.16Å; Y10-T193 HydrophobicContact CD2-CG2 3.95Å; Y10-T193 HydrophobicContact CG-CG2 4.36Å; R177-T193 PolarHBondContact NH2-OG1 3.34Å; R177-T193 VanDerWaalsContact NH2-OG1 3.1Å; D190-T193 PolarHBondContact OD1-N 3.43Å; D190-T193 PolarHBondContact OD1-OG1 3.1Å; D190-T193 PolarHBondContact OD2-OG1 3.29Å; T193-K195 PolarHBondContact O-N 2.89Å; T193-N200 WeakPolarHBondContact O-CB 3.42Å; T193-N200 PolarHBondContact O-ND2 3.11Å; T193-N200 PolarHBondContact OG1-ND2 3.28Å
194L90.8Very high96.1Very high98 Ų9834 Ų3451%0.51318%0.182SC..  trans-87.390.3165.2-62175.1000107.8P196 E201L194-P196 VanDerWaalsContact O-CD 3.3Å; L194-P196 WeakPolarHBondContact O-CD 3.49Å; L194-E201 HydrophobicContact CD2-CB 4.13Å; L194-E201 HydrophobicContact CD2-CG 4.42Å
195K92.7Very high96Very high36 Ų3638 Ų3816%0.15720%0.202CC..  trans-104.697.9176.7-165.9165.4-179.3164.30110.2P7 R177 T193 E197 V198 N199 N200P7-K195 PolarHBondContact O-NZ 3.43Å; R177-K195 VanDerWaalsContact CZ-CD 3.43Å; T193-K195 PolarHBondContact O-N 2.89Å; K195-E197 WeakPolarHBondContact CE-OE2 3.24Å; K195-E197 HydrophobicContact CG-CB 4.23Å; K195-E197 IonicContact NZ-OE2 3.43Å; K195-E197 PolarHBondContact NZ-OE2 3.38Å; K195-E197 PolarHBondContact O-N 2.91Å; K195-V198 HydrophobicContact CB-CG2 3.94Å; K195-V198 HydrophobicContact CD-CG2 4.16Å; K195-V198 HydrophobicContact CG-CG2 3.98Å; K195-V198 PolarHBondContact O-N 3.06Å; K195-N199 PolarHBondContact O-N 3.26Å; K195-N199 VanDerWaalsContact O-N 3.12Å; K195-N200 WeakPolarHBondContact CB-ND2 3.4Å
196P93.1Very high96.1Very high104 Ų10440.5 Ų40.568%0.67521%0.212SC*.G310 helixtrans-63.2-28.3-177.3-22.134.4000112.9L194 V198 N199L194-P196 VanDerWaalsContact O-CD 3.3Å; L194-P196 WeakPolarHBondContact O-CD 3.49Å; P196-V198 PolarHBondContact O-N 3.38Å; P196-V198 VanDerWaalsContact O-N 3.12Å; P196-N199 PolarHBondContact O-N 2.96Å; P196-N199 VanDerWaalsContact O-N 3.15Å; P196-N199 PolarHBondContact O-OD1 3.02Å
197E95.3Very high96Very high155 Ų15542.3 Ų42.372%0.72422%0.221SC*.G310 helixtrans-55.1-31178.3-62.2169.1-173.900113.2K195K195-E197 WeakPolarHBondContact CE-OE2 3.24Å; K195-E197 HydrophobicContact CG-CB 4.23Å; K195-E197 IonicContact NZ-OE2 3.43Å; K195-E197 PolarHBondContact NZ-OE2 3.38Å; K195-E197 PolarHBondContact O-N 2.91Å
198V96Very high95.9Very high27 Ų2743.2 Ų43.216%0.16422%0.224CC..G310 helixtrans-119.96.1179.3-66.20000112.6S176 R177 K195 P196 N200S176-V198 PolarHBondContact N-O 3.46Å; R177-V198 HydrophobicContact CG-CG2 4.49Å; K195-V198 HydrophobicContact CB-CG2 3.94Å; K195-V198 HydrophobicContact CD-CG2 4.16Å; K195-V198 HydrophobicContact CG-CG2 3.98Å; K195-V198 PolarHBondContact O-N 3.06Å; P196-V198 PolarHBondContact O-N 3.38Å; P196-V198 VanDerWaalsContact O-N 3.12Å; V198-N200 WeakPolarHBondContact CG2-OD1 3.33Å; V198-N200 PolarHBondContact O-N 3.26Å
199N97.3Very high95.9Very high90 Ų9046.5 Ų46.548%0.48124%0.244SC..THydrogen-bonded Turntrans55.342.7176.7-54.1-71.3000115K195 P196 E201 S202 F203K195-N199 PolarHBondContact O-N 3.26Å; K195-N199 VanDerWaalsContact O-N 3.12Å; P196-N199 PolarHBondContact O-N 2.96Å; P196-N199 VanDerWaalsContact O-N 3.15Å; P196-N199 PolarHBondContact O-OD1 3.02Å; N199-E201 VanDerWaalsContact C-N 3.29Å; N199-E201 PolarHBondContact O-N 2.9Å; N199-S202 WeakPolarHBondContact CB-OG 3.41Å; N199-S202 PolarHBondContact O-N 3.12Å; N199-S202 PolarHBondContact O-OG 3.3Å; N199-F203 PolarHBondContact O-N 3.28Å
200N96.1Very high96Very high2 Ų247.7 Ų47.71%0.01125%0.252CS..Hα-helixtrans-48.8-47-179-74.2-11.4000113.2S176 D190 T193 K195 V198 S202 F203 V204S176-N200 WeakPolarHBondContact CA-OD1 3.26Å; D190-N200 PolarHBondContact OD2-ND2 3.26Å; T193-N200 WeakPolarHBondContact O-CB 3.42Å; T193-N200 PolarHBondContact O-ND2 3.11Å; T193-N200 PolarHBondContact OG1-ND2 3.28Å; K195-N200 WeakPolarHBondContact CB-ND2 3.4Å; V198-N200 WeakPolarHBondContact CG2-OD1 3.33Å; V198-N200 PolarHBondContact O-N 3.26Å; N200-S202 PolarHBondContact O-N 2.9Å; N200-F203 PolarHBondContact O-N 2.86Å; N200-F203 VanDerWaalsContact O-N 3.15Å; N200-V204 WeakPolarHBondContact O-CG2 3.41Å; N200-V204 PolarHBondContact O-N 3.1Å
201E96Very high95.9Very high113 Ų11347.8 Ų47.853%0.52825%0.252SS..Hα-helixtrans-56.5-50-176.3-173.3-177.3-174.800112.2L194 N199 F203 V204 I205 F276L194-E201 HydrophobicContact CD2-CB 4.13Å; L194-E201 HydrophobicContact CD2-CG 4.42Å; N199-E201 VanDerWaalsContact C-N 3.29Å; N199-E201 PolarHBondContact O-N 2.9Å; E201-F203 VanDerWaalsContact C-N 3.29Å; E201-F203 PolarHBondContact O-N 2.78Å; E201-V204 PolarHBondContact O-N 2.71Å; E201-I205 HydrophobicContact CG-CD1 4.14Å; E201-I205 WeakPolarHBondContact O-CG1 3.24Å; E201-I205 PolarHBondContact O-N 2.96Å; E201-I205 VanDerWaalsContact O-N 3.08Å; E201-F276 HydrophobicContact CG-CE2 4.21Å; E201-F276 HydrophobicContact CG-CZ 3.97Å
202S97.9Very high95.8Very high53 Ų5349.2 Ų49.237%0.37126%0.259SS..Hα-helixtrans-61.7-38.2179.368.40000112.6W175 N199 N200 Y206W175-S202 PolarHBondContact NE1-OG 3.08Å; N199-S202 WeakPolarHBondContact CB-OG 3.41Å; N199-S202 PolarHBondContact O-N 3.12Å; N199-S202 PolarHBondContact O-OG 3.3Å; N200-S202 PolarHBondContact O-N 2.9Å; S202-Y206 WeakPolarHBondContact O-CB 3.33Å; S202-Y206 PolarHBondContact O-N 3.3Å
203F98.2Very high95.9Very high0 Ų052 Ų520%028%0.276CS..Hα-helixtrans-71.9-41.3-179.3-175.5-93.3000111.8C167 P170 P171 W175 I189 N199 N200 E201 I205 Y206 M207C167-F203 WeakPolarHBondContact O-CZ 3.29Å; P170-F203 HydrophobicContact CB-CD2 4.26Å; P170-F203 HydrophobicContact CB-CE2 3.71Å; P170-F203 HydrophobicContact CG-CE2 4Å; P171-F203 HydrophobicContact CG-CE1 4.01Å; P171-F203 HydrophobicContact CG-CE2 4.34Å; P171-F203 HydrophobicContact CG-CZ 3.76Å; W175-F203 HydrophobicContact CD2-CB 4.5Å; W175-F203 AromaticContact CD2-CD2 3.69Å; W175-F203 HydrophobicContact CD2-CD2 3.69Å; W175-F203 AromaticContact CE2-CD2 3.83Å; W175-F203 HydrophobicContact CE3-CD2 4.02Å; W175-F203 HydrophobicContact CE3-CE2 4.47Å; W175-F203 HydrophobicContact CG-CB 4.41Å; W175-F203 AromaticContact CG-CD2 3.97Å; W175-F203 HydrophobicContact CG-CD2 3.97Å; W175-F203 HydrophobicContact CZ2-CD2 4.25Å; W175-F203 HydrophobicContact CZ3-CD2 4.41Å; I189-F203 HydrophobicContact CB-CE1 4.48Å; I189-F203 HydrophobicContact CD1-CE1 3.68Å; I189-F203 HydrophobicContact CD1-CZ 4.3Å; I189-F203 HydrophobicContact CG1-CE1 4.03Å; I189-F203 HydrophobicContact CG2-CD1 3.58Å; I189-F203 HydrophobicContact CG2-CE1 3.6Å; N199-F203 PolarHBondContact O-N 3.28Å; N200-F203 PolarHBondContact O-N 2.86Å; N200-F203 VanDerWaalsContact O-N 3.15Å; E201-F203 VanDerWaalsContact C-N 3.29Å; E201-F203 PolarHBondContact O-N 2.78Å; F203-I205 VanDerWaalsContact C-N 3.34Å; F203-I205 PolarHBondContact O-N 2.71Å; F203-Y206 HydrophobicContact CD2-CD1 4.12Å; F203-Y206 HydrophobicContact CE2-CD1 4.01Å; F203-Y206 HydrophobicContact CE2-CE1 4.16Å; F203-Y206 WeakPolarHBondContact O-CB 3.19Å; F203-Y206 PolarHBondContact O-N 3.22Å; F203-M207 HydrophobicContact CE1-CB 4.37Å; F203-M207 WeakPolarHBondContact O-CB 3.48Å; F203-M207 PolarHBondContact O-N 3.07Å
204V97.2Very high96Very high3 Ų355.6 Ų55.62%0.01829%0.294CS..Hα-helixtrans-63.2-43.5177.4175.90000110.1I189 N200 E201 Y206 M207 F208 F276I189-V204 HydrophobicContact CG2-CG2 4.16Å; N200-V204 WeakPolarHBondContact O-CG2 3.41Å; N200-V204 PolarHBondContact O-N 3.1Å; E201-V204 PolarHBondContact O-N 2.71Å; V204-Y206 PolarHBondContact O-N 3.2Å; V204-M207 PolarHBondContact O-N 2.66Å; V204-F208 HydrophobicContact CG1-CD2 3.76Å; V204-F208 HydrophobicContact CG1-CE2 3.91Å; V204-F208 WeakPolarHBondContact O-CD2 3.34Å; V204-F208 PolarHBondContact O-N 3.39Å; V204-F276 HydrophobicContact CB-CD2 3.98Å; V204-F276 HydrophobicContact CB-CE2 3.88Å; V204-F276 HydrophobicContact CB-CG 4.45Å; V204-F276 HydrophobicContact CB-CZ 4.24Å; V204-F276 HydrophobicContact CG1-CB 4.17Å; V204-F276 HydrophobicContact CG1-CD1 3.87Å; V204-F276 HydrophobicContact CG1-CD2 3.61Å; V204-F276 HydrophobicContact CG1-CE1 4.14Å; V204-F276 HydrophobicContact CG1-CE2 3.91Å; V204-F276 HydrophobicContact CG1-CG 3.6Å; V204-F276 HydrophobicContact CG1-CZ 4.15Å; V204-F276 HydrophobicContact CG2-CD2 4.24Å; V204-F276 HydrophobicContact CG2-CE2 4.38Å
205I97.4Very high96.2Very high83 Ų8350.9 Ų50.943%0.42627%0.27SS..Hα-helixtrans-60.2-47174.3-65.7167.4000110.7E201 F203 M207 F208 V209 F276E201-I205 HydrophobicContact CG-CD1 4.14Å; E201-I205 WeakPolarHBondContact O-CG1 3.24Å; E201-I205 PolarHBondContact O-N 2.96Å; E201-I205 VanDerWaalsContact O-N 3.08Å; F203-I205 VanDerWaalsContact C-N 3.34Å; F203-I205 PolarHBondContact O-N 2.71Å; I205-M207 VanDerWaalsContact C-N 3.35Å; I205-M207 PolarHBondContact O-N 2.92Å; I205-F208 PolarHBondContact O-N 2.89Å; I205-V209 HydrophobicContact CG2-CG2 4.31Å; I205-V209 WeakPolarHBondContact O-CB 3.43Å; I205-V209 VanDerWaalsContact O-CG2 3.29Å; I205-V209 WeakPolarHBondContact O-CG2 3.34Å; I205-V209 PolarHBondContact O-N 2.78Å; I205-F276 HydrophobicContact CG1-CE1 4.25Å; I205-F276 HydrophobicContact CG1-CZ 4.08Å
206Y98.2Very high96.1Very high53 Ų5350.9 Ų50.921%0.20827%0.271CS..Hα-helixtrans-55.2-48.6175.6162-101.3000112A166 W175 S202 F203 V204 V209 V210 H211A166-Y206 WeakPolarHBondContact O-CE1 3.44Å; A166-Y206 PolarHBondContact O-OH 2.93Å; W175-Y206 AromaticContact CH2-CD1 3.95Å; W175-Y206 HydrophobicContact CH2-CD1 3.95Å; W175-Y206 HydrophobicContact CH2-CD2 4.06Å; W175-Y206 HydrophobicContact CH2-CE1 4.35Å; W175-Y206 HydrophobicContact CH2-CE2 4.45Å; W175-Y206 AromaticContact CH2-CG 3.77Å; W175-Y206 HydrophobicContact CH2-CG 3.77Å; W175-Y206 HydrophobicContact CZ2-CD1 4.49Å; W175-Y206 HydrophobicContact CZ2-CG 4.26Å; W175-Y206 HydrophobicContact CZ3-CD1 4.38Å; W175-Y206 HydrophobicContact CZ3-CE1 4.4Å; S202-Y206 WeakPolarHBondContact O-CB 3.33Å; S202-Y206 PolarHBondContact O-N 3.3Å; F203-Y206 HydrophobicContact CD2-CD1 4.12Å; F203-Y206 HydrophobicContact CE2-CD1 4.01Å; F203-Y206 HydrophobicContact CE2-CE1 4.16Å; F203-Y206 WeakPolarHBondContact O-CB 3.19Å; F203-Y206 PolarHBondContact O-N 3.22Å; V204-Y206 PolarHBondContact O-N 3.2Å; Y206-V209 PolarHBondContact O-N 3.3Å; Y206-V210 HydrophobicContact CD2-CB 4.1Å; Y206-V210 HydrophobicContact CD2-CG2 3.68Å; Y206-V210 HydrophobicContact CE2-CB 3.95Å; Y206-V210 HydrophobicContact CE2-CG1 4.08Å; Y206-V210 HydrophobicContact CE2-CG2 3.8Å; Y206-V210 VanDerWaalsContact O-CB 3.31Å; Y206-V210 WeakPolarHBondContact O-CB 3.44Å; Y206-V210 PolarHBondContact O-N 2.96Å; Y206-H211 AromaticContact CE1-CD2 3.6Å; Y206-H211 AromaticContact CE1-NE2 3.63Å; Y206-H211 AromaticContact CZ-CD2 3.65Å; Y206-H211 AromaticContact CZ-NE2 3.3Å; Y206-H211 VanDerWaalsContact CZ-NE2 3.3Å; Y206-H211 PolarHBondContact OH-NE2 3.31Å
207M97.2Very high96.2Very high38 Ų3851 Ų5119%0.18727%0.265CS..Hα-helixtrans-63.3-46.8-179.1-174.8-101.4177.200111.6F203 V204 I205 V209 H211 F212F203-M207 HydrophobicContact CE1-CB 4.37Å; F203-M207 WeakPolarHBondContact O-CB 3.48Å; F203-M207 PolarHBondContact O-N 3.07Å; V204-M207 PolarHBondContact O-N 2.66Å; I205-M207 VanDerWaalsContact C-N 3.35Å; I205-M207 PolarHBondContact O-N 2.92Å; M207-V209 VanDerWaalsContact C-N 3.34Å; M207-V209 PolarHBondContact O-N 3.32Å; M207-H211 HydrophobicContact CG-CB 4.33Å; M207-H211 CarbonylContact O-C 3.48Å; M207-H211 VanDerWaalsContact O-C 3.3Å; M207-H211 VanDerWaalsContact O-CA 3.23Å; M207-H211 WeakPolarHBondContact O-CA 3.48Å; M207-H211 VanDerWaalsContact O-CB 3.24Å; M207-H211 WeakPolarHBondContact O-CB 3.48Å; M207-H211 PolarHBondContact O-N 3.14Å; M207-F212 PolarHBondContact O-N 2.88Å
208F96.2Very high96.2Very high23 Ų2345.7 Ų45.710%0.10124%0.243CC..Hα-helixtrans-66.4-32.7177.7-88.6-81.7000113.8V204 I205 F212 T213 A269 A272 F273V204-F208 HydrophobicContact CG1-CD2 3.76Å; V204-F208 HydrophobicContact CG1-CE2 3.91Å; V204-F208 WeakPolarHBondContact O-CD2 3.34Å; V204-F208 PolarHBondContact O-N 3.39Å; I205-F208 PolarHBondContact O-N 2.89Å; F208-F212 HydrophobicContact CD1-CD1 4.26Å; F208-F212 WeakPolarHBondContact O-CB 3.37Å; F208-T213 WeakPolarHBondContact O-CB 3.36Å; F208-T213 PolarHBondContact O-N 3.02Å; F208-T213 PolarHBondContact O-OG1 3.46Å; F208-A269 HydrophobicContact CE1-CB 4.04Å; F208-A269 WeakPolarHBondContact CE1-O 3.08Å; F208-A269 VanDerWaalsContact CZ-O 3.25Å; F208-A269 WeakPolarHBondContact CZ-O 3.44Å; F208-A272 HydrophobicContact CE2-CB 4.48Å; F208-A272 HydrophobicContact CZ-CB 4.06Å; F208-F273 HydrophobicContact CD1-CD2 4.06Å; F208-F273 HydrophobicContact CD2-CD2 4.18Å; F208-F273 HydrophobicContact CE1-CB 3.7Å; F208-F273 HydrophobicContact CE1-CD2 4.05Å; F208-F273 HydrophobicContact CE1-CG 4.24Å; F208-F273 HydrophobicContact CE2-CB 4.25Å; F208-F273 HydrophobicContact CE2-CD2 4.17Å; F208-F273 HydrophobicContact CG-CD2 4.13Å; F208-F273 HydrophobicContact CZ-CB 3.55Å; F208-F273 HydrophobicContact CZ-CD2 4.12Å; F208-F273 HydrophobicContact CZ-CG 4.33Å
209V97.3Very high96Very high72 Ų7245 Ų4544%0.43624%0.238SC..Iπ-helixtrans-82.2-56.3-179.4174.20000110.7I205 Y206 M207 T213 I214I205-V209 HydrophobicContact CG2-CG2 4.31Å; I205-V209 WeakPolarHBondContact O-CB 3.43Å; I205-V209 VanDerWaalsContact O-CG2 3.29Å; I205-V209 WeakPolarHBondContact O-CG2 3.34Å; I205-V209 PolarHBondContact O-N 2.78Å; Y206-V209 PolarHBondContact O-N 3.3Å; M207-V209 VanDerWaalsContact C-N 3.34Å; M207-V209 PolarHBondContact O-N 3.32Å; V209-T213 PolarHBondContact O-N 3.49Å; V209-I214 HydrophobicContact CG1-CD1 4.39Å; V209-I214 WeakPolarHBondContact O-CG1 3.38Å; V209-I214 PolarHBondContact O-N 3.1Å
210V98.1Very high95.7Very high37 Ų3745.3 Ų45.322%0.22424%0.235CC..Iπ-helixtrans-80.1-39.1-171.9-179.40000112W126 M163 Y206 P215W126-V210 WeakPolarHBondContact CZ2-O 3.21Å; M163-V210 HydrophobicContact CE-CG1 4.05Å; Y206-V210 HydrophobicContact CD2-CB 4.1Å; Y206-V210 HydrophobicContact CD2-CG2 3.68Å; Y206-V210 HydrophobicContact CE2-CB 3.95Å; Y206-V210 HydrophobicContact CE2-CG1 4.08Å; Y206-V210 HydrophobicContact CE2-CG2 3.8Å; Y206-V210 VanDerWaalsContact O-CB 3.31Å; Y206-V210 WeakPolarHBondContact O-CB 3.44Å; Y206-V210 PolarHBondContact O-N 2.96Å; V210-P215 WeakPolarHBondContact O-CD 3.01Å
211H96.6Very high95.5Very high2 Ų250.6 Ų50.61%0.00926%0.258CS..Iπ-helixtrans-106.612-171.6-67.7-83.3000113.7E122 L125 W126 M163 Y206 M207E122-H211 WeakPolarHBondContact OE1-CB 3.38Å; E122-H211 IonicContact OE1-CG 2.77Å; E122-H211 IonicContact OE1-ND1 3.86Å; E122-H211 IonicContact OE2-CE1 3.83Å; E122-H211 IonicContact OE2-CG 3.96Å; E122-H211 IonicContact OE2-ND1 3.98Å; E122-H211 PolarHBondContact OE2-ND1 3.29Å; L125-H211 WeakPolarHBondContact CD2-O 3.49Å; W126-H211 AromaticContact CE2-ND1 3.95Å; W126-H211 AromaticContact CZ2-ND1 3.98Å; W126-H211 AromaticContact NE1-CE1 3.85Å; W126-H211 AromaticContact NE1-ND1 3.32Å; W126-H211 PolarHBondContact NE1-ND1 3.33Å; M163-H211 PolarHBondContact O-CE1 3Å; Y206-H211 AromaticContact CE1-CD2 3.6Å; Y206-H211 AromaticContact CE1-NE2 3.63Å; Y206-H211 AromaticContact CZ-CD2 3.65Å; Y206-H211 AromaticContact CZ-NE2 3.3Å; Y206-H211 VanDerWaalsContact CZ-NE2 3.3Å; Y206-H211 PolarHBondContact OH-NE2 3.31Å; M207-H211 HydrophobicContact CG-CB 4.33Å; M207-H211 CarbonylContact O-C 3.48Å; M207-H211 VanDerWaalsContact O-C 3.3Å; M207-H211 VanDerWaalsContact O-CA 3.23Å; M207-H211 WeakPolarHBondContact O-CA 3.48Å; M207-H211 VanDerWaalsContact O-CB 3.24Å; M207-H211 WeakPolarHBondContact O-CB 3.48Å; M207-H211 PolarHBondContact O-N 3.14Å
212F92.9Very high95.3Very high37 Ų3745.5 Ų45.516%0.16224%0.235CC..Iπ-helixtrans-143.6-61.5173.5-175.6-102.1000111.1M207 F208 M216 V266 A269M207-F212 PolarHBondContact O-N 2.88Å; F208-F212 HydrophobicContact CD1-CD1 4.26Å; F208-F212 WeakPolarHBondContact O-CB 3.37Å; F212-M216 HydrophobicContact CD1-SD 3.92Å; F212-M216 HydrophobicContact CD2-SD 4.24Å; F212-M216 HydrophobicContact CE1-SD 3.44Å; F212-M216 WeakPolarHBondContact CE1-SD 3.3Å; F212-M216 HydrophobicContact CE2-SD 3.79Å; F212-M216 HydrophobicContact CG-SD 4.3Å; F212-M216 HydrophobicContact CZ-SD 3.37Å; F212-M216 WeakPolarHBondContact CZ-SD 3.17Å; F212-M216 WeakPolarHBondContact O-CB 3.36Å; F212-M216 VanDerWaalsContact O-CG 3.29Å; F212-M216 WeakPolarHBondContact O-CG 3.36Å; F212-M216 PolarHBondContact O-N 2.97Å; F212-V266 HydrophobicContact CZ-CG2 4.41Å; F212-A269 HydrophobicContact CD2-CB 4.12Å; F212-A269 HydrophobicContact CE1-CB 4.25Å; F212-A269 HydrophobicContact CE2-CB 3.55Å; F212-A269 HydrophobicContact CZ-CB 3.61Å
213T94.8Very high94.8Very high63 Ų6343.6 Ų43.639%0.38722%0.22SC..Iπ-helixtrans-64.8-50.8-174.2-56.20000112.8F208 V209 M216 I217F208-T213 WeakPolarHBondContact O-CB 3.36Å; F208-T213 PolarHBondContact O-N 3.02Å; F208-T213 PolarHBondContact O-OG1 3.46Å; V209-T213 PolarHBondContact O-N 3.49Å; T213-M216 PolarHBondContact O-N 3.41Å; T213-I217 HydrophobicContact CG2-CD1 3.88Å; T213-I217 WeakPolarHBondContact O-CG1 3.39Å; T213-I217 PolarHBondContact O-N 3.24Å
214I96.4Very high94.3Very high78 Ų7845.6 Ų45.640%0.424%0.24SC..Hα-helixtrans-60.3-52.1179-74.1171.5000111.5V209 M216 I217 V218V209-I214 HydrophobicContact CG1-CD1 4.39Å; V209-I214 WeakPolarHBondContact O-CG1 3.38Å; V209-I214 PolarHBondContact O-N 3.1Å; I214-M216 VanDerWaalsContact C-N 3.31Å; I214-M216 PolarHBondContact O-N 2.92Å; I214-I217 PolarHBondContact O-N 3.06Å; I214-V218 WeakPolarHBondContact O-CG2 3.38Å; I214-V218 PolarHBondContact O-N 3.44Å
215P94.4Very high94Very high0 Ų048.8 Ų48.80%026%0.255CS..Hα-helixtrans-53-45174.4-32.737.8000113.4L125 W126 V129 V210 V218 I219L125-P215 HydrophobicContact CD1-CB 3.61Å; L125-P215 HydrophobicContact CD1-CG 4.46Å; L125-P215 HydrophobicContact CD2-CB 3.96Å; L125-P215 HydrophobicContact CD2-CG 3.95Å; L125-P215 HydrophobicContact CG-CB 3.87Å; L125-P215 HydrophobicContact CG-CG 4.21Å; W126-P215 HydrophobicContact CH2-CG 3.66Å; W126-P215 HydrophobicContact CZ2-CG 3.67Å; W126-P215 HydrophobicContact CZ3-CG 4.1Å; V129-P215 HydrophobicContact CG2-CB 3.7Å; V129-P215 HydrophobicContact CG2-CG 4.48Å; V210-P215 WeakPolarHBondContact O-CD 3.01Å; P215-V218 PolarHBondContact O-N 3.19Å; P215-I219 WeakPolarHBondContact O-CB 3.46Å; P215-I219 VanDerWaalsContact O-CG1 3.24Å; P215-I219 WeakPolarHBondContact O-CG1 3.43Å; P215-I219 PolarHBondContact O-N 3.09Å
216M91.9Very high93.5Very high36 Ų3644.9 Ų44.918%0.17724%0.235CC..Hα-helixtrans-60.3-47.3177.4-78.6-177.465.900112F212 T213 I214 V218 I219 F220 F261 L262F212-M216 HydrophobicContact CD1-SD 3.92Å; F212-M216 HydrophobicContact CD2-SD 4.24Å; F212-M216 HydrophobicContact CE1-SD 3.44Å; F212-M216 WeakPolarHBondContact CE1-SD 3.3Å; F212-M216 HydrophobicContact CE2-SD 3.79Å; F212-M216 HydrophobicContact CG-SD 4.3Å; F212-M216 HydrophobicContact CZ-SD 3.37Å; F212-M216 WeakPolarHBondContact CZ-SD 3.17Å; F212-M216 WeakPolarHBondContact O-CB 3.36Å; F212-M216 VanDerWaalsContact O-CG 3.29Å; F212-M216 WeakPolarHBondContact O-CG 3.36Å; F212-M216 PolarHBondContact O-N 2.97Å; T213-M216 PolarHBondContact O-N 3.41Å; I214-M216 VanDerWaalsContact C-N 3.31Å; I214-M216 PolarHBondContact O-N 2.92Å; M216-V218 VanDerWaalsContact C-N 3.33Å; M216-V218 PolarHBondContact O-N 2.84Å; M216-I219 PolarHBondContact O-N 2.73Å; M216-F220 HydrophobicContact CB-CD2 4.32Å; M216-F220 HydrophobicContact CB-CE2 4.19Å; M216-F220 HydrophobicContact CE-CE2 3.61Å; M216-F220 HydrophobicContact CE-CZ 4.21Å; M216-F220 WeakPolarHBondContact O-CB 3.44Å; M216-F220 WeakPolarHBondContact O-CD2 3.05Å; M216-F220 WeakPolarHBondContact O-CG 3.09Å; M216-F220 PolarHBondContact O-N 2.59Å; M216-F261 HydrophobicContact CG-CE1 4.16Å; M216-L262 HydrophobicContact CE-CD2 3.85Å
217I94.9Very high92.9Very high106 Ų10643.9 Ų43.954%0.54424%0.235SC..Hα-helixtrans-58.8-46.4178.3-69.4166.9000110.6T213 I214 F220 F221T213-I217 HydrophobicContact CG2-CD1 3.88Å; T213-I217 WeakPolarHBondContact O-CG1 3.39Å; T213-I217 PolarHBondContact O-N 3.24Å; I214-I217 PolarHBondContact O-N 3.06Å; I217-F220 PolarHBondContact O-N 3.01Å; I217-F221 WeakPolarHBondContact O-CB 3.36Å; I217-F221 PolarHBondContact O-N 2.73Å
218V94.9Very high92.6Very high44 Ų4448.1 Ų48.127%0.26725%0.252SS..Hα-helixtrans-63.3-47-179.9176.20000111V129 I133 I214 P215 M216 F221 C222V129-V218 HydrophobicContact CG1-CB 4.36Å; V129-V218 HydrophobicContact CG1-CG1 3.82Å; I133-V218 HydrophobicContact CD1-CG1 4.27Å; I133-V218 HydrophobicContact CG1-CG1 4.16Å; I214-V218 WeakPolarHBondContact O-CG2 3.38Å; I214-V218 PolarHBondContact O-N 3.44Å; P215-V218 PolarHBondContact O-N 3.19Å; M216-V218 VanDerWaalsContact C-N 3.33Å; M216-V218 PolarHBondContact O-N 2.84Å; V218-F221 PolarHBondContact O-N 3.33Å; V218-C222 WeakPolarHBondContact O-CB 3.19Å; V218-C222 PolarHBondContact O-N 3.34Å; V218-C222 PolarHBondContact O-SG 2.93Å; V218-C222 VanDerWaalsContact O-SG 3.41Å
219I91.3Very high92.1Very high11 Ų1149 Ų496%0.05626%0.259CS..Hα-helixtrans-59.8-49.6179-71.1167.8000110.6L125 L128 V129 A132 P215 M216 F221 Y223 V258L125-I219 HydrophobicContact CD1-CD1 4.26Å; L128-I219 HydrophobicContact CB-CD1 3.84Å; V129-I219 HydrophobicContact CG2-CD1 3.92Å; V129-I219 HydrophobicContact CG2-CG1 3.99Å; A132-I219 HydrophobicContact CB-CG1 4.28Å; P215-I219 WeakPolarHBondContact O-CB 3.46Å; P215-I219 VanDerWaalsContact O-CG1 3.24Å; P215-I219 WeakPolarHBondContact O-CG1 3.43Å; P215-I219 PolarHBondContact O-N 3.09Å; M216-I219 PolarHBondContact O-N 2.73Å; I219-F221 PolarHBondContact O-N 3.24Å; I219-Y223 HydrophobicContact CG2-CD2 3.55Å; I219-Y223 HydrophobicContact CG2-CE2 3.65Å; I219-Y223 WeakPolarHBondContact O-CB 3.28Å; I219-Y223 WeakPolarHBondContact O-CD2 3.27Å; I219-Y223 PolarHBondContact O-N 2.98Å; I219-V258 HydrophobicContact CG2-CG2 4.21Å
220F90.8Very high91.5Very high97 Ų9746.4 Ų46.443%0.42524%0.244SC..Hα-helixtrans-64-40.6179.2-74-55000112.6M216 I217 G224 V258 L262M216-F220 HydrophobicContact CB-CD2 4.32Å; M216-F220 HydrophobicContact CB-CE2 4.19Å; M216-F220 HydrophobicContact CE-CE2 3.61Å; M216-F220 HydrophobicContact CE-CZ 4.21Å; M216-F220 WeakPolarHBondContact O-CB 3.44Å; M216-F220 WeakPolarHBondContact O-CD2 3.05Å; M216-F220 WeakPolarHBondContact O-CG 3.09Å; M216-F220 PolarHBondContact O-N 2.59Å; I217-F220 PolarHBondContact O-N 3.01Å; F220-G224 PolarHBondContact O-N 3.31Å; F220-V258 HydrophobicContact CD1-CG1 4.46Å; F220-V258 HydrophobicContact CE1-CG1 3.67Å; F220-V258 HydrophobicContact CZ-CG1 4.36Å; F220-L262 HydrophobicContact CZ-CD1 4.19Å; F220-L262 HydrophobicContact CZ-CD2 4.16Å
221F93.1Very high90.9Very high113 Ų11350.3 Ų50.350%0.49626%0.258SS..Hα-helixtrans-62.6-54.2177.2175-97.6000111.3I217 V218 I219 Y223 G224 Q225I217-F221 WeakPolarHBondContact O-CB 3.36Å; I217-F221 PolarHBondContact O-N 2.73Å; V218-F221 PolarHBondContact O-N 3.33Å; I219-F221 PolarHBondContact O-N 3.24Å; F221-Y223 VanDerWaalsContact C-N 3.34Å; F221-Y223 PolarHBondContact O-N 3.38Å; F221-G224 PolarHBondContact O-N 3.49Å; F221-Q225 HydrophobicContact CE1-CG 4.17Å; F221-Q225 HydrophobicContact CE2-CG 4.14Å; F221-Q225 HydrophobicContact CZ-CG 3.95Å; F221-Q225 WeakPolarHBondContact O-CG 3.48Å; F221-Q225 PolarHBondContact O-N 2.89Å
222C91.3Very high90.5Very high6 Ų654.7 Ų54.74%0.04128%0.278CS..Hα-helixtrans-59.3-44.8-179-74.50000111.8A132 V218 Q225 L226A132-C222 HydrophobicContact CB-CB 3.83Å; A132-C222 WeakPolarHBondContact O-CB 3.49Å; V218-C222 WeakPolarHBondContact O-CB 3.19Å; V218-C222 PolarHBondContact O-N 3.34Å; V218-C222 PolarHBondContact O-SG 2.93Å; V218-C222 VanDerWaalsContact O-SG 3.41Å; C222-Q225 PolarHBondContact O-N 3.38Å; C222-L226 WeakPolarHBondContact O-CB 3.18Å; C222-L226 PolarHBondContact O-N 3.3Å
223Y87.2Confident90.1Very high13 Ų1353.6 Ų53.65%0.05128%0.276CS..Hα-helixtrans-73.3-31.6179.1-74.3-34.7000113.7A132 I219 F221 L226 V227 V254 V258A132-Y223 HydrophobicContact CB-CE1 4.23Å; A132-Y223 HydrophobicContact CB-CE2 4.27Å; I219-Y223 HydrophobicContact CG2-CD2 3.55Å; I219-Y223 HydrophobicContact CG2-CE2 3.65Å; I219-Y223 WeakPolarHBondContact O-CB 3.28Å; I219-Y223 WeakPolarHBondContact O-CD2 3.27Å; I219-Y223 PolarHBondContact O-N 2.98Å; F221-Y223 VanDerWaalsContact C-N 3.34Å; F221-Y223 PolarHBondContact O-N 3.38Å; Y223-L226 HydrophobicContact CD1-CD2 3.87Å; Y223-L226 HydrophobicContact CE1-CD2 4.27Å; Y223-L226 PolarHBondContact O-N 3.16Å; Y223-V227 WeakPolarHBondContact O-CG2 3.32Å; Y223-V227 PolarHBondContact O-N 3.14Å; Y223-V254 HydrophobicContact CD1-CB 4.28Å; Y223-V254 HydrophobicContact CD1-CG1 3.79Å; Y223-V254 HydrophobicContact CD1-CG2 3.61Å; Y223-V254 HydrophobicContact CD2-CG1 3.85Å; Y223-V254 HydrophobicContact CE1-CG1 4.42Å; Y223-V254 HydrophobicContact CE1-CG2 3.82Å; Y223-V254 HydrophobicContact CE2-CG1 4.45Å; Y223-V254 HydrophobicContact CG-CB 4.42Å; Y223-V254 HydrophobicContact CG-CG1 3.47Å; Y223-V254 VanDerWaalsContact CG-CG1 3.47Å; Y223-V254 HydrophobicContact CG-CG2 4.21Å; Y223-V258 HydrophobicContact CD2-CG2 3.55Å; Y223-V258 HydrophobicContact CE2-CG2 3.82Å
224G89.3Confident89.7Confident42 Ų4250.9 Ų50.943%0.43326%0.26SS..Hα-helixtrans-60.8-47.2170.400000111.7F220 F221 V227 F228F220-G224 PolarHBondContact O-N 3.31Å; F221-G224 PolarHBondContact O-N 3.49Å; G224-V227 PolarHBondContact O-N 3.03Å; G224-F228 WeakPolarHBondContact O-CB 3.32Å; G224-F228 PolarHBondContact O-N 2.9Å
225Q90.1Very high89.2Confident70 Ų7050.2 Ų50.233%0.32727%0.266SS..Hα-helixtrans-64.1-39.6175.7-67.5-62.8-20.700112.6Y136 F221 C222 F228 T229Y136-Q225 HydrophobicContact CD2-CB 3.78Å; Y136-Q225 HydrophobicContact CE2-CB 3.72Å; Y136-Q225 HydrophobicContact CE2-CG 4.14Å; F221-Q225 HydrophobicContact CE1-CG 4.17Å; F221-Q225 HydrophobicContact CE2-CG 4.14Å; F221-Q225 HydrophobicContact CZ-CG 3.95Å; F221-Q225 WeakPolarHBondContact O-CG 3.48Å; F221-Q225 PolarHBondContact O-N 2.89Å; C222-Q225 PolarHBondContact O-N 3.38Å; Q225-F228 PolarHBondContact O-N 3.31Å; Q225-T229 WeakPolarHBondContact O-CB 3.39Å; Q225-T229 PolarHBondContact O-N 3.04Å; Q225-T229 PolarHBondContact O-OG1 2.88Å
226L86.2Confident88.9Confident2 Ų255.9 Ų55.91%0.0129%0.292CS..Hα-helixtrans-60.4-50.9176.5-176.867.6000111.1R135 V139 C222 Y223 F228 T229 V230 V250 V254R135-L226 HydrophobicContact CB-CD2 4.1Å; V139-L226 HydrophobicContact CB-CD1 3.41Å; V139-L226 VanDerWaalsContact CB-CD1 3.41Å; V139-L226 HydrophobicContact CG1-CD1 3.52Å; V139-L226 HydrophobicContact CG2-CD1 3.7Å; C222-L226 WeakPolarHBondContact O-CB 3.18Å; C222-L226 PolarHBondContact O-N 3.3Å; Y223-L226 HydrophobicContact CD1-CD2 3.87Å; Y223-L226 HydrophobicContact CE1-CD2 4.27Å; Y223-L226 PolarHBondContact O-N 3.16Å; L226-F228 VanDerWaalsContact C-N 3.32Å; L226-F228 PolarHBondContact O-N 3.25Å; L226-T229 PolarHBondContact O-N 3Å; L226-V230 HydrophobicContact CD1-CG2 4.26Å; L226-V230 WeakPolarHBondContact O-CG2 2.81Å; L226-V230 PolarHBondContact O-N 3.13Å; L226-V250 HydrophobicContact CD1-CG1 4.48Å; L226-V250 HydrophobicContact CD2-CG1 3.84Å; L226-V250 HydrophobicContact CG-CG1 4.12Å; L226-V254 HydrophobicContact CD2-CG2 3.66Å
227V86.9Confident88.6Confident32 Ų3257.7 Ų57.719%0.19430%0.3CS..Hα-helixtrans-63.2-40.8179.11710000111.1Y223 G224 K231 T251Y223-V227 WeakPolarHBondContact O-CG2 3.32Å; Y223-V227 PolarHBondContact O-N 3.14Å; G224-V227 PolarHBondContact O-N 3.03Å; V227-K231 HydrophobicContact CG1-CD 3.9Å; V227-K231 HydrophobicContact CG1-CG 4.34Å; V227-K231 VanDerWaalsContact O-CB 3.3Å; V227-K231 WeakPolarHBondContact O-CB 2.95Å; V227-K231 VanDerWaalsContact O-CG 3.26Å; V227-K231 WeakPolarHBondContact O-CG 3.33Å; V227-K231 PolarHBondContact O-N 2.74Å; V227-T251 HydrophobicContact CG2-CG2 4.48Å
228F89.4Confident87.8Confident127 Ų12760 Ų6056%0.55731%0.309SS*.Hα-helixtrans-58.9-53.9176.9178.8-95.4000111.6G224 Q225 L226 V230 K231 E232G224-F228 WeakPolarHBondContact O-CB 3.32Å; G224-F228 PolarHBondContact O-N 2.9Å; Q225-F228 PolarHBondContact O-N 3.31Å; L226-F228 VanDerWaalsContact C-N 3.32Å; L226-F228 PolarHBondContact O-N 3.25Å; F228-V230 PolarHBondContact O-N 3.33Å; F228-K231 PolarHBondContact O-N 3.01Å; F228-E232 WeakPolarHBondContact CE1-OE2 3.3Å; F228-E232 PolarHBondContact O-N 2.76Å
229T86.6Confident87.3Confident40 Ų4067.3 Ų67.325%0.24534%0.34CS..Hα-helixtrans-60.6-44.8-177.9-54.90000112.2C140 Q225 L226 E232 A233C140-T229 PolarHBondContact SG-OG1 3.48Å; Q225-T229 WeakPolarHBondContact O-CB 3.39Å; Q225-T229 PolarHBondContact O-N 3.04Å; Q225-T229 PolarHBondContact O-OG1 2.88Å; L226-T229 PolarHBondContact O-N 3Å; T229-E232 PolarHBondContact O-N 3.42Å; T229-A233 PolarHBondContact O-N 3.19Å
230V84.3Confident86.9Confident19 Ų1968.5 Ų68.512%0.11535%0.349CS..Hα-helixtrans-72.2-33.9-176.4-172.40000111.2V139 L226 F228 A234 E247V139-V230 HydrophobicContact CG1-CG2 3.55Å; L226-V230 HydrophobicContact CD1-CG2 4.26Å; L226-V230 WeakPolarHBondContact O-CG2 2.81Å; L226-V230 PolarHBondContact O-N 3.13Å; F228-V230 PolarHBondContact O-N 3.33Å; V230-A234 VanDerWaalsContact O-CB 3.3Å; V230-A234 WeakPolarHBondContact O-CB 3.32Å; V230-A234 PolarHBondContact O-N 2.82Å; V230-E247 HydrophobicContact CB-CG 4.33Å; V230-E247 VanDerWaalsContact CG1-CA 3.49Å; V230-E247 HydrophobicContact CG1-CB 3.56Å; V230-E247 HydrophobicContact CG1-CG 3.6Å
231K86.1Confident86.4Confident118 Ų11867.7 Ų67.751%0.51336%0.361SS..Hα-helixtrans-65.4-40171.5-78.3-177.5174.3-176.80112.6V227 F228 A234 A235V227-K231 HydrophobicContact CG1-CD 3.9Å; V227-K231 HydrophobicContact CG1-CG 4.34Å; V227-K231 VanDerWaalsContact O-CB 3.3Å; V227-K231 WeakPolarHBondContact O-CB 2.95Å; V227-K231 VanDerWaalsContact O-CG 3.26Å; V227-K231 WeakPolarHBondContact O-CG 3.33Å; V227-K231 PolarHBondContact O-N 2.74Å; F228-K231 PolarHBondContact O-N 3.01Å; K231-A234 PolarHBondContact O-N 3.35Å; K231-A235 WeakPolarHBondContact O-CB 3.47Å; K231-A235 PolarHBondContact O-N 3.42Å
232E88.8Confident85.7Confident95 Ų9565.8 Ų65.844%0.44436%0.358SS..Hα-helixtrans-64.3-46.8176.3-172.1177.8-179.800111.3F228 T229 A234 A235 Q236F228-E232 WeakPolarHBondContact CE1-OE2 3.3Å; F228-E232 PolarHBondContact O-N 2.76Å; T229-E232 PolarHBondContact O-N 3.42Å; E232-A234 VanDerWaalsContact C-N 3.33Å; E232-A234 PolarHBondContact O-N 3.06Å; E232-A235 WeakPolarHBondContact O-CB 3.15Å; E232-A235 PolarHBondContact O-N 3.48Å; E232-A235 VanDerWaalsContact O-N 3.1Å; E232-Q236 WeakPolarHBondContact O-CG 3.46Å; E232-Q236 PolarHBondContact O-N 3.01Å
233A84.4Confident84.9Confident14 Ų1465.9 Ų65.912%0.11636%0.359CS..Hα-helixtrans-60.9-41175.900000112.3T229 A235 Q236 Q237 V345T229-A233 PolarHBondContact O-N 3.19Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A233-A235 PolarHBondContact O-N 3.29Å; A233-Q236 PolarHBondContact O-N 3.3Å; A233-Q237 PolarHBondContact O-N 3.27Å; A233-V345 HydrophobicContact CB-CG1 4.01Å
234A85.7Confident84.1Confident6 Ų668.5 Ų68.55%0.0537%0.372CS..Hα-helixtrans-64.9-35.3174.400000112.3V230 K231 E232 Q237 Q238 Q244 E247V230-A234 VanDerWaalsContact O-CB 3.3Å; V230-A234 WeakPolarHBondContact O-CB 3.32Å; V230-A234 PolarHBondContact O-N 2.82Å; K231-A234 PolarHBondContact O-N 3.35Å; E232-A234 VanDerWaalsContact C-N 3.33Å; E232-A234 PolarHBondContact O-N 3.06Å; A234-Q237 CarbonylContact O-C 3.28Å; A234-Q238 PolarHBondContact O-N 3.42Å; A234-Q244 PolarHBondContact O-NE2 3.17Å; A234-E247 HydrophobicContact CB-CB 4.27Å; A234-E247 HydrophobicContact CB-CG 4.27Å
235A86.8Confident83.5Confident63 Ų6372.5 Ų72.552%0.52138%0.377SS..Hα-helixtrans-68.5-37.8175.100000112.2K231 E232 A233K231-A235 WeakPolarHBondContact O-CB 3.47Å; K231-A235 PolarHBondContact O-N 3.42Å; E232-A235 WeakPolarHBondContact O-CB 3.15Å; E232-A235 PolarHBondContact O-N 3.48Å; E232-A235 VanDerWaalsContact O-N 3.1Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A233-A235 PolarHBondContact O-N 3.29Å
236Q87.9Confident82.6Confident120 Ų12070.2 Ų70.256%0.56137%0.37SS*.Hα-helixtrans-70.6-34.9176.2-68.4175.61.900112.6E232 A233E232-Q236 WeakPolarHBondContact O-CG 3.46Å; E232-Q236 PolarHBondContact O-N 3.01Å; A233-Q236 PolarHBondContact O-N 3.3Å
237Q85.1Confident82.1Confident73 Ų7371.6 Ų71.634%0.34138%0.377SS..THydrogen-bonded Turntrans-110.755.6-179.4-63.3-177.5-9.500111.9A233 A234 E239 S240 T243A233-Q237 PolarHBondContact O-N 3.27Å; A234-Q237 CarbonylContact O-C 3.28Å; Q237-E239 PolarHBondContact O-N 3.24Å; Q237-S240 PolarHBondContact O-N 3.01Å; Q237-S240 VanDerWaalsContact O-N 3.12Å; Q237-T243 HydrophobicContact CB-CG2 4.34Å; Q237-T243 PolarHBondContact OE1-OG1 3.32Å
238Q78.6Confident81.5Confident154 Ų15477.5 Ų77.572%0.7240%0.399SS*.THydrogen-bonded Turntrans-59.5-31.5-177.3-97.3178.9-1800114.1A234 S240A234-Q238 PolarHBondContact O-N 3.42Å; Q238-S240 VanDerWaalsContact C-N 3.31Å; Q238-S240 PolarHBondContact O-N 3.19Å
239E82.8Confident80.9Confident199 Ų19975.2 Ų75.293%0.9339%0.391SS*.THydrogen-bonded Turntrans-77.5-16.1-179.2-60.3-171.8166.600113.3Q237 A241Q237-E239 PolarHBondContact O-N 3.24Å; E239-A241 PolarHBondContact O-N 2.63Å
240S84Confident80.2Confident35 Ų3575.2 Ų75.225%0.24539%0.39CS..  trans-83.597.4-178.2-178.90000111.5Q237 Q238 T242 T243 Q244Q237-S240 PolarHBondContact O-N 3.01Å; Q237-S240 VanDerWaalsContact O-N 3.12Å; Q238-S240 VanDerWaalsContact C-N 3.31Å; Q238-S240 PolarHBondContact O-N 3.19Å; S240-T242 PolarHBondContact O-N 3.42Å; S240-T242 PolarHBondContact OG-OG1 3.48Å; S240-T243 VanDerWaalsContact CB-OG1 3.29Å; S240-T243 WeakPolarHBondContact CB-OG1 3.23Å; S240-T243 PolarHBondContact O-N 3.23Å; S240-T243 VanDerWaalsContact O-N 3.15Å; S240-T243 WeakPolarHBondContact OG-CB 3.38Å; S240-T243 PolarHBondContact OG-N 2.91Å; S240-T243 PolarHBondContact OG-OG1 3.43Å; S240-Q244 WeakPolarHBondContact O-CG 3.28Å; S240-Q244 PolarHBondContact O-N 2.94Å; S240-Q244 VanDerWaalsContact O-N 3.08Å
241A79.5Confident79.6Confident81 Ų8175.2 Ų75.267%0.66939%0.391SS*.Hα-helixtrans-58.5-30.5175.900000113E239 K245E239-A241 PolarHBondContact O-N 2.63Å; A241-K245 WeakPolarHBondContact O-CB 3.3Å; A241-K245 PolarHBondContact O-N 3.43Å; A241-K245 VanDerWaalsContact O-N 3.08Å
242T78.1Confident79.3Confident72 Ų7276.3 Ų76.344%0.44239%0.391SS..Hα-helixtrans-70.3-43176.351.10000111.4S240 K245 A246S240-T242 PolarHBondContact O-N 3.42Å; S240-T242 PolarHBondContact OG-OG1 3.48Å; T242-K245 PolarHBondContact O-N 3.06Å; T242-A246 WeakPolarHBondContact O-CB 3.3Å; T242-A246 PolarHBondContact O-N 3.4Å
243T74.7Confident78.7Confident8 Ų873.3 Ų73.35%0.04938%0.378CS..Hα-helixtrans-63.1-43.4176.5-52.70000111.2Q237 S240 K245 A246 E247 V345Q237-T243 HydrophobicContact CB-CG2 4.34Å; Q237-T243 PolarHBondContact OE1-OG1 3.32Å; S240-T243 VanDerWaalsContact CB-OG1 3.29Å; S240-T243 WeakPolarHBondContact CB-OG1 3.23Å; S240-T243 PolarHBondContact O-N 3.23Å; S240-T243 VanDerWaalsContact O-N 3.15Å; S240-T243 WeakPolarHBondContact OG-CB 3.38Å; S240-T243 PolarHBondContact OG-N 2.91Å; S240-T243 PolarHBondContact OG-OG1 3.43Å; T243-K245 PolarHBondContact O-N 3.25Å; T243-A246 PolarHBondContact O-N 2.95Å; T243-E247 PolarHBondContact O-N 3.12Å; T243-V345 HydrophobicContact CG2-CG1 3.8Å; T243-V345 HydrophobicContact CG2-CG2 4.26Å
244Q71.2Confident78.1Confident69 Ų6973.2 Ų73.232%0.32238%0.376SS..Hα-helixtrans-62.5-41.3175.6-64.1-60.8-30.800112.5A234 S240 E247 K248A234-Q244 PolarHBondContact O-NE2 3.17Å; S240-Q244 WeakPolarHBondContact O-CG 3.28Å; S240-Q244 PolarHBondContact O-N 2.94Å; S240-Q244 VanDerWaalsContact O-N 3.08Å; Q244-E247 PolarHBondContact O-N 2.85Å; Q244-K248 PolarHBondContact O-N 2.97Å; Q244-K248 VanDerWaalsContact O-N 3.15Å
245K76.2Confident77.7Confident125 Ų12577 Ų7754%0.54340%0.395SS..Hα-helixtrans-66.4-41.7177.8-175.9-177.9178.3-1770111.6A241 T242 T243 K248 E249A241-K245 WeakPolarHBondContact O-CB 3.3Å; A241-K245 PolarHBondContact O-N 3.43Å; A241-K245 VanDerWaalsContact O-N 3.08Å; T242-K245 PolarHBondContact O-N 3.06Å; T243-K245 PolarHBondContact O-N 3.25Å; K245-K248 PolarHBondContact O-N 3.42Å; K245-E249 WeakPolarHBondContact O-CG 3.49Å; K245-E249 PolarHBondContact O-N 3.06Å
246A71.3Confident77.5Confident22 Ų2277.1 Ų77.118%0.18239%0.385CS..Hα-helixtrans-61.8-43.7176.800000111.4T242 T243 K248 E249 V250T242-A246 WeakPolarHBondContact O-CB 3.3Å; T242-A246 PolarHBondContact O-N 3.4Å; T243-A246 PolarHBondContact O-N 2.95Å; A246-K248 PolarHBondContact O-N 2.91Å; A246-E249 PolarHBondContact O-N 2.73Å; A246-V250 WeakPolarHBondContact O-CB 3.22Å; A246-V250 VanDerWaalsContact O-CG2 3.28Å; A246-V250 WeakPolarHBondContact O-CG2 3.31Å; A246-V250 PolarHBondContact O-N 3.03Å
247E76.4Confident76.9Confident32 Ų3271.8 Ų71.815%0.1536%0.361CS..Hα-helixtrans-53.6-53.6172.7-174.4-77.8145.700111.5V230 A234 T243 Q244 E249 V250 T251V230-E247 HydrophobicContact CB-CG 4.33Å; V230-E247 VanDerWaalsContact CG1-CA 3.49Å; V230-E247 HydrophobicContact CG1-CB 3.56Å; V230-E247 HydrophobicContact CG1-CG 3.6Å; A234-E247 HydrophobicContact CB-CB 4.27Å; A234-E247 HydrophobicContact CB-CG 4.27Å; T243-E247 PolarHBondContact O-N 3.12Å; Q244-E247 PolarHBondContact O-N 2.85Å; E247-E249 VanDerWaalsContact C-N 3.33Å; E247-E249 PolarHBondContact O-N 2.88Å; E247-V250 PolarHBondContact O-N 2.82Å; E247-T251 WeakPolarHBondContact O-CB 3.43Å; E247-T251 PolarHBondContact O-N 3.48Å; E247-T251 PolarHBondContact O-OG1 3.36Å; E247-T251 PolarHBondContact OE1-OG1 3.47Å
248K74.4Confident76.5Confident155 Ų15569.3 Ų69.367%0.67435%0.351SS*.Hα-helixtrans-63.3-39.1-176.3-168.2173.9-175.9174.30112.5Q244 K245 A246 R252Q244-K248 PolarHBondContact O-N 2.97Å; Q244-K248 VanDerWaalsContact O-N 3.15Å; K245-K248 PolarHBondContact O-N 3.42Å; A246-K248 PolarHBondContact O-N 2.91Å; K248-R252 WeakPolarHBondContact O-CB 3.4Å; K248-R252 PolarHBondContact O-N 3.47Å
249E77.3Confident76.8Confident80 Ų8066 Ų6637%0.37434%0.337SS..Hα-helixtrans-67.5-42.4177.5-74.5-171.2174.100111.9K245 A246 E247 M253 K311K245-E249 WeakPolarHBondContact O-CG 3.49Å; K245-E249 PolarHBondContact O-N 3.06Å; A246-E249 PolarHBondContact O-N 2.73Å; E247-E249 VanDerWaalsContact C-N 3.33Å; E247-E249 PolarHBondContact O-N 2.88Å; E249-M253 WeakPolarHBondContact O-CB 3.33Å; E249-M253 PolarHBondContact O-N 2.97Å; E249-K311 IonicContact OE1-NZ 2.86Å
250V70.1Confident76.8Confident39 Ų3957.4 Ų57.424%0.23630%0.3CS..Hα-helixtrans-66.6-51.9177.8172.10000110.8L226 A246 E247 R252 M253 V254L226-V250 HydrophobicContact CD1-CG1 4.48Å; L226-V250 HydrophobicContact CD2-CG1 3.84Å; L226-V250 HydrophobicContact CG-CG1 4.12Å; A246-V250 WeakPolarHBondContact O-CB 3.22Å; A246-V250 VanDerWaalsContact O-CG2 3.28Å; A246-V250 WeakPolarHBondContact O-CG2 3.31Å; A246-V250 PolarHBondContact O-N 3.03Å; E247-V250 PolarHBondContact O-N 2.82Å; V250-R252 VanDerWaalsContact C-N 3.28Å; V250-R252 PolarHBondContact O-N 3.12Å; V250-M253 WeakPolarHBondContact O-CB 3.28Å; V250-M253 PolarHBondContact O-N 3.06Å; V250-M253 VanDerWaalsContact O-N 3.08Å; V250-V254 HydrophobicContact CG1-CG2 4.47Å; V250-V254 WeakPolarHBondContact O-CG2 3.36Å; V250-V254 PolarHBondContact O-N 3.25Å
251T72Confident76.4Confident20 Ų2056.5 Ų56.512%0.12329%0.292CS..Hα-helixtrans-58.2-41.6178.6-63.70000111V227 E247 V254 I255V227-T251 HydrophobicContact CG2-CG2 4.48Å; E247-T251 WeakPolarHBondContact O-CB 3.43Å; E247-T251 PolarHBondContact O-N 3.48Å; E247-T251 PolarHBondContact O-OG1 3.36Å; E247-T251 PolarHBondContact OE1-OG1 3.47Å; T251-V254 PolarHBondContact O-N 3.49Å; T251-I255 HydrophobicContact CG2-CD1 3.84Å; T251-I255 VanDerWaalsContact O-CG1 3.27Å; T251-I255 WeakPolarHBondContact O-CG1 3.42Å; T251-I255 PolarHBondContact O-N 2.86Å
252R81Confident76.8Confident140 Ų14055 Ų5553%0.52827%0.272SS..Hα-helixtrans-62.9-42.9175.3-173-177.771.9-174.20.1112.3K248 V250 I255 I256K248-R252 WeakPolarHBondContact O-CB 3.4Å; K248-R252 PolarHBondContact O-N 3.47Å; V250-R252 VanDerWaalsContact C-N 3.28Å; V250-R252 PolarHBondContact O-N 3.12Å; R252-I255 PolarHBondContact O-N 2.7Å; R252-I256 HydrophobicContact CG-CD1 3.8Å; R252-I256 HydrophobicContact CG-CG1 4.45Å; R252-I256 VanDerWaalsContact O-CG1 3.27Å; R252-I256 WeakPolarHBondContact O-CG1 3.5Å; R252-I256 PolarHBondContact O-N 2.63Å
253M74.5Confident77.3Confident32 Ų3256 Ų5616%0.15827%0.274CS..Hα-helixtrans-59.5-49.7176.9-175.5179.6168.800111.9L131 E249 V250 I255 I256 M257 M309L131-M253 HydrophobicContact CD2-CE 4.43Å; E249-M253 WeakPolarHBondContact O-CB 3.33Å; E249-M253 PolarHBondContact O-N 2.97Å; V250-M253 WeakPolarHBondContact O-CB 3.28Å; V250-M253 PolarHBondContact O-N 3.06Å; V250-M253 VanDerWaalsContact O-N 3.08Å; M253-I255 PolarHBondContact O-N 2.84Å; M253-I256 PolarHBondContact O-N 3.37Å; M253-M257 HydrophobicContact CE-SD 3.44Å; M253-M257 WeakPolarHBondContact CE-SD 3.21Å; M253-M257 HydrophobicContact CG-CG 4.45Å; M253-M257 HydrophobicContact CG-SD 3.93Å; M253-M257 WeakPolarHBondContact O-CB 3.17Å; M253-M257 VanDerWaalsContact O-CG 3.27Å; M253-M257 WeakPolarHBondContact O-CG 3.31Å; M253-M257 PolarHBondContact O-N 2.82Å; M253-M309 HydrophobicContact CB-CE 3.45Å; M253-M309 VanDerWaalsContact CB-CE 3.45Å; M253-M309 HydrophobicContact CB-SD 4.43Å; M253-M309 HydrophobicContact CG-CE 3.71Å; M253-M309 HydrophobicContact CG-SD 4.13Å
254V72.5Confident77.8Confident12 Ų1255.7 Ų55.77%0.07327%0.272CS..Hα-helixtrans-56.1-50.6178.1169.80000111.2Y223 L226 V250 T251 I256 M257 V258Y223-V254 HydrophobicContact CD1-CB 4.28Å; Y223-V254 HydrophobicContact CD1-CG1 3.79Å; Y223-V254 HydrophobicContact CD1-CG2 3.61Å; Y223-V254 HydrophobicContact CD2-CG1 3.85Å; Y223-V254 HydrophobicContact CE1-CG1 4.42Å; Y223-V254 HydrophobicContact CE1-CG2 3.82Å; Y223-V254 HydrophobicContact CE2-CG1 4.45Å; Y223-V254 HydrophobicContact CG-CB 4.42Å; Y223-V254 HydrophobicContact CG-CG1 3.47Å; Y223-V254 VanDerWaalsContact CG-CG1 3.47Å; Y223-V254 HydrophobicContact CG-CG2 4.21Å; L226-V254 HydrophobicContact CD2-CG2 3.66Å; V250-V254 HydrophobicContact CG1-CG2 4.47Å; V250-V254 WeakPolarHBondContact O-CG2 3.36Å; V250-V254 PolarHBondContact O-N 3.25Å; T251-V254 PolarHBondContact O-N 3.49Å; V254-I256 PolarHBondContact O-N 2.92Å; V254-M257 PolarHBondContact O-N 2.97Å; V254-V258 HydrophobicContact CG1-CG2 4.48Å; V254-V258 WeakPolarHBondContact O-CB 3.22Å; V254-V258 WeakPolarHBondContact O-CG2 3.45Å; V254-V258 PolarHBondContact O-N 3.28Å
255I77.9Confident78.7Confident87 Ų8754.5 Ų54.545%0.44626%0.264SS..Hα-helixtrans-60.2-47.8-178.8-70.8169.7000110.9T251 R252 M253 M257 I259T251-I255 HydrophobicContact CG2-CD1 3.84Å; T251-I255 VanDerWaalsContact O-CG1 3.27Å; T251-I255 WeakPolarHBondContact O-CG1 3.42Å; T251-I255 PolarHBondContact O-N 2.86Å; R252-I255 PolarHBondContact O-N 2.7Å; M253-I255 PolarHBondContact O-N 2.84Å; I255-M257 VanDerWaalsContact C-N 3.33Å; I255-M257 PolarHBondContact O-N 2.7Å; I255-I259 HydrophobicContact CG2-CD1 3.48Å; I255-I259 VanDerWaalsContact CG2-CD1 3.48Å; I255-I259 HydrophobicContact CG2-CG1 4.3Å; I255-I259 VanDerWaalsContact O-CB 3.28Å; I255-I259 WeakPolarHBondContact O-CB 3.46Å; I255-I259 WeakPolarHBondContact O-CG1 3.45Å; I255-I259 PolarHBondContact O-N 3.47Å
256I82.8Confident79.4Confident64 Ų6450.7 Ų50.733%0.32825%0.252SS..Hα-helixtrans-61.1-44.8-179.5-70.3170.3000110.8R252 M253 V254 A260 I305 M309R252-I256 HydrophobicContact CG-CD1 3.8Å; R252-I256 HydrophobicContact CG-CG1 4.45Å; R252-I256 VanDerWaalsContact O-CG1 3.27Å; R252-I256 WeakPolarHBondContact O-CG1 3.5Å; R252-I256 PolarHBondContact O-N 2.63Å; M253-I256 PolarHBondContact O-N 3.37Å; V254-I256 PolarHBondContact O-N 2.92Å; I256-A260 VanDerWaalsContact O-CB 3.23Å; I256-A260 WeakPolarHBondContact O-CB 3.22Å; I256-A260 PolarHBondContact O-N 2.85Å; I256-I305 HydrophobicContact CG2-CD1 4.29Å; I256-I305 HydrophobicContact CG2-CG1 4.3Å; I256-I305 HydrophobicContact CG2-CG2 3.97Å; I256-M309 HydrophobicContact CB-SD 4.3Å; I256-M309 HydrophobicContact CD1-CE 4.13Å; I256-M309 HydrophobicContact CD1-SD 4.07Å; I256-M309 HydrophobicContact CG2-SD 4.12Å
257M73.8Confident80.6Confident8 Ų852.1 Ų52.14%0.03926%0.259CS..Hα-helixtrans-66.9-44.6-177.6-71.5-173.661.600112.7L128 L131 M253 V254 I255 A260 F261 I305 Y306L128-M257 HydrophobicContact CD2-CE 3.33Å; L131-M257 HydrophobicContact CD2-CE 3.31Å; L131-M257 HydrophobicContact CD2-SD 3.94Å; M253-M257 HydrophobicContact CE-SD 3.44Å; M253-M257 WeakPolarHBondContact CE-SD 3.21Å; M253-M257 HydrophobicContact CG-CG 4.45Å; M253-M257 HydrophobicContact CG-SD 3.93Å; M253-M257 WeakPolarHBondContact O-CB 3.17Å; M253-M257 VanDerWaalsContact O-CG 3.27Å; M253-M257 WeakPolarHBondContact O-CG 3.31Å; M253-M257 PolarHBondContact O-N 2.82Å; V254-M257 PolarHBondContact O-N 2.97Å; I255-M257 VanDerWaalsContact C-N 3.33Å; I255-M257 PolarHBondContact O-N 2.7Å; M257-A260 PolarHBondContact O-N 2.87Å; M257-F261 PolarHBondContact O-N 3.26Å; M257-I305 HydrophobicContact CG-CG2 4.36Å; M257-Y306 HydrophobicContact CE-CE1 3.52Å; M257-Y306 WeakPolarHBondContact CE-OH 3.5Å; M257-Y306 HydrophobicContact SD-CE1 3.92Å
258V77.6Confident81.5Confident22 Ų2252.2 Ų52.213%0.13326%0.258CS..Hα-helixtrans-64.1-46.3176.7171.30000110.6I219 F220 Y223 V254 A260 F261 L262I219-V258 HydrophobicContact CG2-CG2 4.21Å; F220-V258 HydrophobicContact CD1-CG1 4.46Å; F220-V258 HydrophobicContact CE1-CG1 3.67Å; F220-V258 HydrophobicContact CZ-CG1 4.36Å; Y223-V258 HydrophobicContact CD2-CG2 3.55Å; Y223-V258 HydrophobicContact CE2-CG2 3.82Å; V254-V258 HydrophobicContact CG1-CG2 4.48Å; V254-V258 WeakPolarHBondContact O-CB 3.22Å; V254-V258 WeakPolarHBondContact O-CG2 3.45Å; V254-V258 PolarHBondContact O-N 3.28Å; V258-A260 PolarHBondContact O-N 2.94Å; V258-F261 PolarHBondContact O-N 2.88Å; V258-L262 HydrophobicContact CG1-CD1 3.81Å; V258-L262 HydrophobicContact CG1-CG 4.29Å; V258-L262 VanDerWaalsContact O-CG 3.28Å; V258-L262 WeakPolarHBondContact O-CG 3.04Å; V258-L262 PolarHBondContact O-N 3.26Å
259I84.4Confident82.5Confident84 Ų8445.4 Ų45.443%0.43123%0.23SC..Hα-helixtrans-62.6-44.2179-71.2175.2000110.9I255 F261 L262 I263I255-I259 HydrophobicContact CG2-CD1 3.48Å; I255-I259 VanDerWaalsContact CG2-CD1 3.48Å; I255-I259 HydrophobicContact CG2-CG1 4.3Å; I255-I259 VanDerWaalsContact O-CB 3.28Å; I255-I259 WeakPolarHBondContact O-CB 3.46Å; I255-I259 WeakPolarHBondContact O-CG1 3.45Å; I255-I259 PolarHBondContact O-N 3.47Å; I259-F261 VanDerWaalsContact C-N 3.33Å; I259-F261 PolarHBondContact O-N 3.35Å; I259-L262 PolarHBondContact O-N 2.79Å; I259-I263 HydrophobicContact CG2-CD1 3.44Å; I259-I263 VanDerWaalsContact CG2-CD1 3.44Å; I259-I263 HydrophobicContact CG2-CG1 4.09Å; I259-I263 WeakPolarHBondContact O-CB 3.34Å; I259-I263 VanDerWaalsContact O-CG1 3.27Å; I259-I263 WeakPolarHBondContact O-CG1 3.47Å; I259-I263 PolarHBondContact O-N 3.1Å
260A82.8Confident83.4Confident18 Ų1844.7 Ų44.715%0.14924%0.235CC..Hα-helixtrans-59.8-44.2178.300000111.7I256 M257 V258 C264 Y301 I305I256-A260 VanDerWaalsContact O-CB 3.23Å; I256-A260 WeakPolarHBondContact O-CB 3.22Å; I256-A260 PolarHBondContact O-N 2.85Å; M257-A260 PolarHBondContact O-N 2.87Å; V258-A260 PolarHBondContact O-N 2.94Å; A260-C264 WeakPolarHBondContact O-CB 3.31Å; A260-C264 PolarHBondContact O-N 3.48Å; A260-C264 VanDerWaalsContact O-N 3.11Å; A260-Y301 HydrophobicContact CB-CD2 4.28Å; A260-Y301 HydrophobicContact CB-CE2 4.11Å; A260-I305 HydrophobicContact CB-CD1 3.41Å; A260-I305 VanDerWaalsContact CB-CD1 3.41Å
261F77Confident84.7Confident17 Ų1743.8 Ų43.88%0.07523%0.229CC..Hα-helixtrans-61.6-50.1175.4177.2-98.2000112L125 L128 M216 M257 V258 I259 I263 C264 W265L125-F261 HydrophobicContact CB-CE2 4.41Å; L125-F261 HydrophobicContact CD1-CD2 4.49Å; L125-F261 HydrophobicContact CD1-CE1 4.37Å; L125-F261 HydrophobicContact CD1-CE2 3.58Å; L125-F261 HydrophobicContact CD1-CZ 3.51Å; L125-F261 HydrophobicContact CG-CE2 4.5Å; L128-F261 HydrophobicContact CD1-CB 3.97Å; L128-F261 HydrophobicContact CD1-CD2 3.5Å; L128-F261 HydrophobicContact CD1-CE2 4.33Å; L128-F261 HydrophobicContact CD1-CG 3.91Å; M216-F261 HydrophobicContact CG-CE1 4.16Å; M257-F261 PolarHBondContact O-N 3.26Å; V258-F261 PolarHBondContact O-N 2.88Å; I259-F261 VanDerWaalsContact C-N 3.33Å; I259-F261 PolarHBondContact O-N 3.35Å; F261-I263 PolarHBondContact O-N 3.27Å; F261-C264 PolarHBondContact O-N 2.85Å; F261-W265 AromaticContact CD2-CD1 3.46Å; F261-W265 VanDerWaalsContact CD2-CD1 3.46Å; F261-W265 HydrophobicContact CD2-CG 4.34Å; F261-W265 HydrophobicContact CE2-CB 4.16Å; F261-W265 AromaticContact CE2-CD1 3.33Å; F261-W265 AromaticContact CE2-CG 3.85Å; F261-W265 HydrophobicContact CE2-CG 3.85Å; F261-W265 HydrophobicContact CZ-CB 4.11Å; F261-W265 HydrophobicContact CZ-CG 4.28Å; F261-W265 PolarHBondContact O-N 3.19Å
262L85.9Confident85.8Confident50 Ų5043 Ų4326%0.26223%0.225SC..Hα-helixtrans-62.1-45.5-178.5-68.1173.4000111.5M216 F220 V258 I259 C264 V266 P267M216-L262 HydrophobicContact CE-CD2 3.85Å; F220-L262 HydrophobicContact CZ-CD1 4.19Å; F220-L262 HydrophobicContact CZ-CD2 4.16Å; V258-L262 HydrophobicContact CG1-CD1 3.81Å; V258-L262 HydrophobicContact CG1-CG 4.29Å; V258-L262 VanDerWaalsContact O-CG 3.28Å; V258-L262 WeakPolarHBondContact O-CG 3.04Å; V258-L262 PolarHBondContact O-N 3.26Å; I259-L262 PolarHBondContact O-N 2.79Å; L262-C264 PolarHBondContact O-N 2.88Å; L262-V266 HydrophobicContact CB-CG2 4.05Å; L262-V266 HydrophobicContact CD2-CG2 3.55Å; L262-V266 HydrophobicContact CG-CG2 4.41Å; L262-V266 WeakPolarHBondContact O-CB 3.42Å; L262-V266 WeakPolarHBondContact O-CG2 3.42Å; L262-V266 PolarHBondContact O-N 2.77Å; L262-P267 WeakPolarHBondContact O-CD 3.35Å
263I89.1Confident86.6Confident93 Ų9341 Ų4148%0.47722%0.22SC..Hα-helixtrans-58.8-40.7178.3-74.9175.8000110.6I259 F261 P267 F294I259-I263 HydrophobicContact CG2-CD1 3.44Å; I259-I263 VanDerWaalsContact CG2-CD1 3.44Å; I259-I263 HydrophobicContact CG2-CG1 4.09Å; I259-I263 WeakPolarHBondContact O-CB 3.34Å; I259-I263 VanDerWaalsContact O-CG1 3.27Å; I259-I263 WeakPolarHBondContact O-CG1 3.47Å; I259-I263 PolarHBondContact O-N 3.1Å; F261-I263 PolarHBondContact O-N 3.27Å; I263-P267 WeakPolarHBondContact O-CD 3.3Å; I263-P267 VanDerWaalsContact O-CG 3.24Å; I263-P267 WeakPolarHBondContact O-CG 3.4Å; I263-F294 HydrophobicContact CG2-CE1 3.73Å; I263-F294 HydrophobicContact CG2-CZ 3.73Å; I263-F294 VanDerWaalsContact O-CE1 3.29Å; I263-F294 WeakPolarHBondContact O-CE1 3.49Å
264C86.6Confident87.7Confident0 Ų044.3 Ų44.30%023%0.231CC..Hα-helixtrans-74.8-47.5-176.6-175.10000113.5A260 F261 L262 A295 Y301A260-C264 WeakPolarHBondContact O-CB 3.31Å; A260-C264 PolarHBondContact O-N 3.48Å; A260-C264 VanDerWaalsContact O-N 3.11Å; F261-C264 PolarHBondContact O-N 2.85Å; L262-C264 PolarHBondContact O-N 2.88Å; C264-A295 VanDerWaalsContact SG-CA 3.59Å; C264-A295 PolarHBondContact SG-O 2.79Å; C264-A295 VanDerWaalsContact SG-O 3.36Å; C264-Y301 HydrophobicContact CB-CE1 3.78Å; C264-Y301 WeakPolarHBondContact CB-OH 3.38Å; C264-Y301 PolarHBondContact SG-OH 2.89Å
265W88.4Confident88.8Confident44 Ų4443.8 Ų43.817%0.16723%0.228CC..Hα-helixtrans-103-28.8-166.3-67.8101.8000114.2G121 F261 Y268 A269 A295 A298G121-W265 VanDerWaalsContact CA-CZ2 3.49Å; F261-W265 AromaticContact CD2-CD1 3.46Å; F261-W265 VanDerWaalsContact CD2-CD1 3.46Å; F261-W265 HydrophobicContact CD2-CG 4.34Å; F261-W265 HydrophobicContact CE2-CB 4.16Å; F261-W265 AromaticContact CE2-CD1 3.33Å; F261-W265 AromaticContact CE2-CG 3.85Å; F261-W265 HydrophobicContact CE2-CG 3.85Å; F261-W265 HydrophobicContact CZ-CB 4.11Å; F261-W265 HydrophobicContact CZ-CG 4.28Å; F261-W265 PolarHBondContact O-N 3.19Å; W265-Y268 PolarHBondContact O-N 3.29Å; W265-A269 VanDerWaalsContact O-CB 3.29Å; W265-A269 WeakPolarHBondContact O-CB 3.26Å; W265-A269 PolarHBondContact O-N 2.99Å; W265-A295 HydrophobicContact CE3-CB 4.39Å; W265-A295 HydrophobicContact CZ3-CB 4.22Å; W265-A298 HydrophobicContact CZ2-CB 4.46Å
266V91.7Very high89.7Confident46 Ų4641 Ų4128%0.27921%0.213SC..Hα-helixtrans-62.8-40.8179.8176.40000112.1F212 L262 Y268 A269 S270F212-V266 HydrophobicContact CZ-CG2 4.41Å; L262-V266 HydrophobicContact CB-CG2 4.05Å; L262-V266 HydrophobicContact CD2-CG2 3.55Å; L262-V266 HydrophobicContact CG-CG2 4.41Å; L262-V266 WeakPolarHBondContact O-CB 3.42Å; L262-V266 WeakPolarHBondContact O-CG2 3.42Å; L262-V266 PolarHBondContact O-N 2.77Å; V266-Y268 VanDerWaalsContact C-N 3.34Å; V266-Y268 PolarHBondContact O-N 2.79Å; V266-A269 PolarHBondContact O-N 3.29Å; V266-S270 WeakPolarHBondContact O-CB 3.43Å; V266-S270 PolarHBondContact O-N 3.39Å; V266-S270 PolarHBondContact O-OG 3.28Å
267P96.2Very high90.4Very high52 Ų5241.3 Ų41.334%0.33822%0.218SC..Hα-helixtrans-58.6-44.8175.4-26.636.6000112.6L262 I263 V271 P291L262-P267 WeakPolarHBondContact O-CD 3.35Å; I263-P267 WeakPolarHBondContact O-CD 3.3Å; I263-P267 VanDerWaalsContact O-CG 3.24Å; I263-P267 WeakPolarHBondContact O-CG 3.4Å; P267-V271 WeakPolarHBondContact O-CB 3.38Å; P267-V271 VanDerWaalsContact O-CG2 3.32Å; P267-V271 WeakPolarHBondContact O-CG2 3.24Å; P267-V271 PolarHBondContact O-N 3.47Å; P267-V271 VanDerWaalsContact O-N 3.13Å; P267-P291 HydrophobicContact CB-CB 4.04Å
268Y95.6Very high91.4Very high34 Ų3445.1 Ų45.113%0.13324%0.235CC..Hα-helixtrans-66.1-51.1177.9-175.6-97.1000111.9E181 W265 V266 S270 V271 A272 M288 A292E181-Y268 PolarHBondContact OE2-OH 3.12Å; W265-Y268 PolarHBondContact O-N 3.29Å; V266-Y268 VanDerWaalsContact C-N 3.34Å; V266-Y268 PolarHBondContact O-N 2.79Å; Y268-S270 VanDerWaalsContact C-N 3.31Å; Y268-S270 PolarHBondContact O-N 2.9Å; Y268-V271 PolarHBondContact O-N 3.06Å; Y268-A272 WeakPolarHBondContact O-CB 3.42Å; Y268-A272 PolarHBondContact O-N 3.3Å; Y268-M288 HydrophobicContact CD2-CE 4.2Å; Y268-M288 HydrophobicContact CD2-SD 3.74Å; Y268-M288 HydrophobicContact CE2-CE 3.81Å; Y268-M288 HydrophobicContact CE2-SD 3.59Å; Y268-M288 VanDerWaalsContact CE2-SD 3.59Å; Y268-A292 HydrophobicContact CD2-CB 4Å; Y268-A292 HydrophobicContact CE2-CB 3.75Å
269A94.9Very high92.1Very high11 Ų1146.8 Ų46.89%0.09124%0.242CC..Hα-helixtrans-59.7-40.717900000111.9F208 F212 W265 V266 A272 F273F208-A269 HydrophobicContact CE1-CB 4.04Å; F208-A269 WeakPolarHBondContact CE1-O 3.08Å; F208-A269 VanDerWaalsContact CZ-O 3.25Å; F208-A269 WeakPolarHBondContact CZ-O 3.44Å; F212-A269 HydrophobicContact CD2-CB 4.12Å; F212-A269 HydrophobicContact CE1-CB 4.25Å; F212-A269 HydrophobicContact CE2-CB 3.55Å; F212-A269 HydrophobicContact CZ-CB 3.61Å; W265-A269 VanDerWaalsContact O-CB 3.29Å; W265-A269 WeakPolarHBondContact O-CB 3.26Å; W265-A269 PolarHBondContact O-N 2.99Å; V266-A269 PolarHBondContact O-N 3.29Å; A269-A272 PolarHBondContact O-N 3.44Å; A269-F273 VanDerWaalsContact O-CB 3.23Å; A269-F273 WeakPolarHBondContact O-CB 3.12Å; A269-F273 PolarHBondContact O-N 3.36Å
270S96.1Very high92.1Very high66 Ų6644.6 Ų44.646%0.46224%0.24SC..Hα-helixtrans-64.8-43178.4-58.20000111.7V266 Y268 Y274V266-S270 WeakPolarHBondContact O-CB 3.43Å; V266-S270 PolarHBondContact O-N 3.39Å; V266-S270 PolarHBondContact O-OG 3.28Å; Y268-S270 VanDerWaalsContact C-N 3.31Å; Y268-S270 PolarHBondContact O-N 2.9Å; S270-Y274 VanDerWaalsContact O-CB 3.26Å; S270-Y274 WeakPolarHBondContact O-CB 3.4Å; S270-Y274 PolarHBondContact O-N 3.44Å
271V97.3Very high92.6Very high19 Ų1945.2 Ų45.212%0.11524%0.243CC..Hα-helixtrans-70.1-42.6178.8168.80000111.1P267 Y268 F273 Y274 I275 F287 M288 P291P267-V271 WeakPolarHBondContact O-CB 3.38Å; P267-V271 VanDerWaalsContact O-CG2 3.32Å; P267-V271 WeakPolarHBondContact O-CG2 3.24Å; P267-V271 PolarHBondContact O-N 3.47Å; P267-V271 VanDerWaalsContact O-N 3.13Å; Y268-V271 PolarHBondContact O-N 3.06Å; V271-F273 PolarHBondContact O-N 3.41Å; V271-Y274 PolarHBondContact O-N 3.25Å; V271-I275 HydrophobicContact CG1-CD1 3.92Å; V271-I275 VanDerWaalsContact O-CG1 3.29Å; V271-I275 WeakPolarHBondContact O-CG1 3.5Å; V271-I275 PolarHBondContact O-N 2.8Å; V271-F287 HydrophobicContact CB-CE1 4.46Å; V271-F287 HydrophobicContact CB-CZ 4.45Å; V271-F287 HydrophobicContact CG1-CD1 3.79Å; V271-F287 HydrophobicContact CG1-CE1 3.64Å; V271-F287 HydrophobicContact CG1-CG 4.33Å; V271-F287 HydrophobicContact CG1-CZ 4.04Å; V271-F287 HydrophobicContact CG2-CE1 4.47Å; V271-F287 HydrophobicContact CG2-CE2 4.13Å; V271-F287 HydrophobicContact CG2-CZ 4.02Å; V271-M288 HydrophobicContact CB-CE 4.39Å; V271-M288 HydrophobicContact CB-SD 4.27Å; V271-M288 HydrophobicContact CG1-CB 4.26Å; V271-M288 HydrophobicContact CG1-CE 3.82Å; V271-M288 HydrophobicContact CG1-SD 3.58Å; V271-M288 VanDerWaalsContact CG1-SD 3.58Å; V271-P291 HydrophobicContact CB-CG 4.22Å; V271-P291 HydrophobicContact CG1-CG 4.29Å; V271-P291 HydrophobicContact CG2-CG 4.11Å
272A96.6Very high93.3Very high4 Ų450.7 Ų50.73%0.03327%0.273CS..Hα-helixtrans-60.7-45.1175.200000111.4Y191 F208 Y268 A269 I275 F276 M288Y191-A272 HydrophobicContact CD1-CB 3.85Å; Y191-A272 HydrophobicContact CE1-CB 4.12Å; Y191-A272 HydrophobicContact CG-CB 4.18Å; F208-A272 HydrophobicContact CE2-CB 4.48Å; F208-A272 HydrophobicContact CZ-CB 4.06Å; Y268-A272 WeakPolarHBondContact O-CB 3.42Å; Y268-A272 PolarHBondContact O-N 3.3Å; A269-A272 PolarHBondContact O-N 3.44Å; A272-I275 PolarHBondContact O-N 3.19Å; A272-F276 WeakPolarHBondContact O-CB 3.48Å; A272-F276 PolarHBondContact O-N 3.33Å; A272-M288 HydrophobicContact CB-CE 3.72Å
273F96.4Very high93.8Very high98 Ų9849 Ų4943%0.4326%0.264SS..Hα-helixtrans-66.5-39.2177.1-168.7-105.8000112.3F208 A269 V271 F276 T277F208-F273 HydrophobicContact CD1-CD2 4.06Å; F208-F273 HydrophobicContact CD2-CD2 4.18Å; F208-F273 HydrophobicContact CE1-CB 3.7Å; F208-F273 HydrophobicContact CE1-CD2 4.05Å; F208-F273 HydrophobicContact CE1-CG 4.24Å; F208-F273 HydrophobicContact CE2-CB 4.25Å; F208-F273 HydrophobicContact CE2-CD2 4.17Å; F208-F273 HydrophobicContact CG-CD2 4.13Å; F208-F273 HydrophobicContact CZ-CB 3.55Å; F208-F273 HydrophobicContact CZ-CD2 4.12Å; F208-F273 HydrophobicContact CZ-CG 4.33Å; A269-F273 VanDerWaalsContact O-CB 3.23Å; A269-F273 WeakPolarHBondContact O-CB 3.12Å; A269-F273 PolarHBondContact O-N 3.36Å; V271-F273 PolarHBondContact O-N 3.41Å; F273-F276 HydrophobicContact CD2-CD1 4.44Å; F273-F276 HydrophobicContact CE2-CD1 4.41Å; F273-F276 PolarHBondContact O-N 2.67Å; F273-T277 HydrophobicContact CD1-CG2 4.21Å; F273-T277 HydrophobicContact CE1-CG2 3.78Å; F273-T277 HydrophobicContact CE2-CG2 4.21Å; F273-T277 HydrophobicContact CZ-CG2 3.77Å; F273-T277 WeakPolarHBondContact O-CG2 3.49Å; F273-T277 PolarHBondContact O-N 2.86Å; F273-T277 PolarHBondContact O-OG1 3.16Å
274Y97.6Very high94Very high102 Ų10246.3 Ų46.340%0.426%0.259SS..Hα-helixtrans-60.7-48.5174.9179.3-88000110.9S270 V271 F276 T277 H278 F287S270-Y274 VanDerWaalsContact O-CB 3.26Å; S270-Y274 WeakPolarHBondContact O-CB 3.4Å; S270-Y274 PolarHBondContact O-N 3.44Å; V271-Y274 PolarHBondContact O-N 3.25Å; Y274-F276 VanDerWaalsContact C-N 3.33Å; Y274-F276 PolarHBondContact O-N 3.28Å; Y274-T277 PolarHBondContact O-N 3.04Å; Y274-T277 PolarHBondContact O-OG1 2.88Å; Y274-T277 VanDerWaalsContact O-OG1 3.1Å; Y274-H278 AromaticContact CD2-ND1 3.97Å; Y274-H278 HydrophobicContact CE1-CB 4.28Å; Y274-H278 AromaticContact CE2-ND1 3.96Å; Y274-H278 WeakPolarHBondContact O-CB 3.36Å; Y274-H278 PolarHBondContact O-N 3.23Å; Y274-H278 PolarHBondContact O-ND1 3.38Å; Y274-F287 AromaticContact CD1-CE1 3.65Å; Y274-F287 HydrophobicContact CD1-CE1 3.65Å; Y274-F287 AromaticContact CD1-CZ 3.71Å; Y274-F287 HydrophobicContact CD1-CZ 3.71Å; Y274-F287 HydrophobicContact CE1-CE1 4.17Å; Y274-F287 HydrophobicContact CE1-CZ 4.17Å; Y274-F287 HydrophobicContact CG-CE1 4.49Å; Y274-F287 HydrophobicContact CG-CZ 4.24Å
275I96.8Very high94.4Very high0 Ų047 Ų470%026%0.263CS..Hα-helixtrans-62.4-43.3178.3-65.2166000110.3Y191 Y192 V271 A272 T277 H278 Q279 F283 F287 M288Y191-I275 HydrophobicContact CD2-CB 3.76Å; Y191-I275 HydrophobicContact CD2-CD1 4.09Å; Y191-I275 HydrophobicContact CD2-CG2 3.6Å; Y191-I275 HydrophobicContact CE2-CB 4.26Å; Y191-I275 HydrophobicContact CE2-CD1 3.68Å; Y191-I275 HydrophobicContact CE2-CG2 4.14Å; Y192-I275 HydrophobicContact CD1-CG2 3.55Å; Y192-I275 HydrophobicContact CE1-CD1 3.9Å; Y192-I275 HydrophobicContact CE1-CG2 3.88Å; Y192-I275 HydrophobicContact CG-CG2 4.21Å; V271-I275 HydrophobicContact CG1-CD1 3.92Å; V271-I275 VanDerWaalsContact O-CG1 3.29Å; V271-I275 WeakPolarHBondContact O-CG1 3.5Å; V271-I275 PolarHBondContact O-N 2.8Å; A272-I275 PolarHBondContact O-N 3.19Å; I275-T277 VanDerWaalsContact C-N 3.33Å; I275-T277 PolarHBondContact O-N 3.06Å; I275-H278 CarbonylContact O-C 3.1Å; I275-H278 VanDerWaalsContact O-C 3.28Å; I275-H278 PolarHBondContact O-N 2.99Å; I275-Q279 WeakPolarHBondContact O-CA 3.43Å; I275-Q279 VanDerWaalsContact O-CG 3.24Å; I275-Q279 WeakPolarHBondContact O-CG 3.1Å; I275-Q279 PolarHBondContact O-N 2.88Å; I275-F283 HydrophobicContact CG1-CE1 4.49Å; I275-F283 HydrophobicContact CG2-CE1 4.15Å; I275-F283 HydrophobicContact CG2-CE2 4.29Å; I275-F283 HydrophobicContact CG2-CZ 3.78Å; I275-F287 HydrophobicContact CD1-CD1 4.1Å; I275-F287 HydrophobicContact CD1-CE1 4.2Å; I275-F287 HydrophobicContact CG1-CD1 4.2Å; I275-F287 HydrophobicContact CG1-CE1 3.9Å; I275-M288 HydrophobicContact CD1-CB 4.36Å; I275-M288 HydrophobicContact CD1-CE 4.2Å
276F96.6Very high94.9Very high28 Ų2848.1 Ų48.112%0.12327%0.271CS..Hα-helixtrans-58.7-41.4177175.6-114.1000113.2Y191 E201 V204 I205 A272 F273 Y274 Q279Y191-F276 WeakPolarHBondContact O-CA 3.3Å; E201-F276 HydrophobicContact CG-CE2 4.21Å; E201-F276 HydrophobicContact CG-CZ 3.97Å; V204-F276 HydrophobicContact CB-CD2 3.98Å; V204-F276 HydrophobicContact CB-CE2 3.88Å; V204-F276 HydrophobicContact CB-CG 4.45Å; V204-F276 HydrophobicContact CB-CZ 4.24Å; V204-F276 HydrophobicContact CG1-CB 4.17Å; V204-F276 HydrophobicContact CG1-CD1 3.87Å; V204-F276 HydrophobicContact CG1-CD2 3.61Å; V204-F276 HydrophobicContact CG1-CE1 4.14Å; V204-F276 HydrophobicContact CG1-CE2 3.91Å; V204-F276 HydrophobicContact CG1-CG 3.6Å; V204-F276 HydrophobicContact CG1-CZ 4.15Å; V204-F276 HydrophobicContact CG2-CD2 4.24Å; V204-F276 HydrophobicContact CG2-CE2 4.38Å; I205-F276 HydrophobicContact CG1-CE1 4.25Å; I205-F276 HydrophobicContact CG1-CZ 4.08Å; A272-F276 WeakPolarHBondContact O-CB 3.48Å; A272-F276 PolarHBondContact O-N 3.33Å; F273-F276 HydrophobicContact CD2-CD1 4.44Å; F273-F276 HydrophobicContact CE2-CD1 4.41Å; F273-F276 PolarHBondContact O-N 2.67Å; Y274-F276 VanDerWaalsContact C-N 3.33Å; Y274-F276 PolarHBondContact O-N 3.28Å; F276-Q279 VanDerWaalsContact O-CD 3.26Å; F276-Q279 WeakPolarHBondContact O-CG 3.39Å
277T96.4Very high95.1Very high71 Ų7149.7 Ų49.744%0.43628%0.275SS..Hα-helixtrans-82.9-15.818051.30000113.7F273 Y274 I275F273-T277 HydrophobicContact CD1-CG2 4.21Å; F273-T277 HydrophobicContact CE1-CG2 3.78Å; F273-T277 HydrophobicContact CE2-CG2 4.21Å; F273-T277 HydrophobicContact CZ-CG2 3.77Å; F273-T277 WeakPolarHBondContact O-CG2 3.49Å; F273-T277 PolarHBondContact O-N 2.86Å; F273-T277 PolarHBondContact O-OG1 3.16Å; Y274-T277 PolarHBondContact O-N 3.04Å; Y274-T277 PolarHBondContact O-OG1 2.88Å; Y274-T277 VanDerWaalsContact O-OG1 3.1Å; I275-T277 VanDerWaalsContact C-N 3.33Å; I275-T277 PolarHBondContact O-N 3.06Å
278H95.6Very high95.2Very high89 Ų8947.3 Ų47.341%0.41226%0.259SS..THydrogen-bonded Turntrans-128.444.6-177.3-60.775.4000111.4Y274 I275 S281Y274-H278 AromaticContact CD2-ND1 3.97Å; Y274-H278 HydrophobicContact CE1-CB 4.28Å; Y274-H278 AromaticContact CE2-ND1 3.96Å; Y274-H278 WeakPolarHBondContact O-CB 3.36Å; Y274-H278 PolarHBondContact O-N 3.23Å; Y274-H278 PolarHBondContact O-ND1 3.38Å; I275-H278 CarbonylContact O-C 3.1Å; I275-H278 VanDerWaalsContact O-C 3.28Å; I275-H278 PolarHBondContact O-N 2.99Å; H278-S281 WeakPolarHBondContact O-CB 3.29Å; H278-S281 PolarHBondContact O-N 2.02Å; H278-S281 VanDerWaalsContact O-N 3.09Å; H278-S281 PolarHBondContact O-OG 2.87Å
279Q91.3Very high95.3Very high57 Ų5746 Ų4627%0.26626%0.255SS..THydrogen-bonded Turntrans-59.3139.6-178.5-68.1162.3-30.700111.4Y191 I275 F276 S281Y191-Q279 PolarHBondContact O-NE2 2.82Å; I275-Q279 WeakPolarHBondContact O-CA 3.43Å; I275-Q279 VanDerWaalsContact O-CG 3.24Å; I275-Q279 WeakPolarHBondContact O-CG 3.1Å; I275-Q279 PolarHBondContact O-N 2.88Å; F276-Q279 VanDerWaalsContact O-CD 3.26Å; F276-Q279 WeakPolarHBondContact O-CG 3.39Å; Q279-S281 PolarHBondContact O-N 3.25Å
280G86.3Confident95.4Very high38 Ų3851 Ų5139%0.39228%0.279SS..THydrogen-bonded Turntrans71.30.6-176.200000115.3N2N2-G280 WeakPolarHBondContact CB-O 3.41Å; N2-G280 PolarHBondContact ND2-O 3.49Å
281S91.6Very high95.5Very high30 Ų3048.4 Ų48.421%0.2126%0.26CS..SBendtrans-66.9169.8169.4700000111.7H278 Q279 F283H278-S281 WeakPolarHBondContact O-CB 3.29Å; H278-S281 PolarHBondContact O-N 2.02Å; H278-S281 VanDerWaalsContact O-N 3.09Å; H278-S281 PolarHBondContact O-OG 2.87Å; Q279-S281 PolarHBondContact O-N 3.25Å; S281-F283 WeakPolarHBondContact O-CD1 3.43Å; S281-F283 WeakPolarHBondContact O-CE1 3.43Å; S281-F283 PolarHBondContact O-N 3.25Å; S281-F283 VanDerWaalsContact OG-CD1 3.28Å; S281-F283 WeakPolarHBondContact OG-CD1 3.05Å; S281-F283 WeakPolarHBondContact OG-CE1 3.43Å
282N93.2Very high95.4Very high132 Ų13247.7 Ų47.771%0.70626%0.256SS*.  trans-86.1100.3-178.7-172.312.6000110.7N2N2-N282 HydrophobicContact CB-CB 4.28Å
283F94.9Very high95.4Very high16 Ų1648 Ų487%0.0726%0.257CS..  trans-131.1139.8169.745.1-96.7000109.4Y10 P12 Y192 I275 S281 F287Y10-F283 AromaticContact CE1-CE2 3.7Å; Y10-F283 HydrophobicContact CE1-CE2 3.7Å; Y10-F283 AromaticContact CE1-CZ 3.89Å; Y10-F283 HydrophobicContact CE1-CZ 3.89Å; P12-F283 HydrophobicContact CB-CD2 3.89Å; P12-F283 HydrophobicContact CB-CE2 3.96Å; Y192-F283 AromaticContact CD1-CE2 3.75Å; Y192-F283 HydrophobicContact CD1-CE2 3.75Å; Y192-F283 AromaticContact CD1-CZ 3.97Å; Y192-F283 HydrophobicContact CD1-CZ 3.97Å; Y192-F283 HydrophobicContact CE1-CD2 4.38Å; Y192-F283 AromaticContact CE1-CE2 3.56Å; Y192-F283 HydrophobicContact CE1-CE2 3.56Å; Y192-F283 HydrophobicContact CE1-CZ 4.2Å; I275-F283 HydrophobicContact CG1-CE1 4.49Å; I275-F283 HydrophobicContact CG2-CE1 4.15Å; I275-F283 HydrophobicContact CG2-CE2 4.29Å; I275-F283 HydrophobicContact CG2-CZ 3.78Å; S281-F283 WeakPolarHBondContact O-CD1 3.43Å; S281-F283 WeakPolarHBondContact O-CE1 3.43Å; S281-F283 PolarHBondContact O-N 3.25Å; S281-F283 VanDerWaalsContact OG-CD1 3.28Å; S281-F283 WeakPolarHBondContact OG-CD1 3.05Å; S281-F283 WeakPolarHBondContact OG-CE1 3.43Å; F283-F287 HydrophobicContact CB-CB 4.49Å; F283-F287 HydrophobicContact CB-CD1 3.84Å; F283-F287 HydrophobicContact CB-CE1 4.43Å; F283-F287 HydrophobicContact CB-CG 4.36Å; F283-F287 HydrophobicContact CG-CD1 4.43Å
284G93.9Very high95.4Very high36 Ų3647.6 Ų47.637%0.37126%0.255SS..  trans-87.1172.2178.700000113.4I286 F287G284-I286 VanDerWaalsContact C-N 3.31Å; G284-I286 PolarHBondContact O-N 3.12Å; G284-F287 VanDerWaalsContact O-CB 3.28Å; G284-F287 WeakPolarHBondContact O-CB 3.36Å; G284-F287 PolarHBondContact O-N 3.04Å
285P95.8Very high95.2Very high13 Ų1343 Ų438%0.08424%0.238CC..Hα-helixtrans-65.3-31-177.826.3-35.5000113.5P12 L31 G182 L183 F287 T289P12-P285 HydrophobicContact CG-CB 4.01Å; L31-P285 HydrophobicContact CB-CB 4.37Å; L31-P285 HydrophobicContact CB-CG 4.07Å; L31-P285 HydrophobicContact CD1-CB 4.41Å; G182-P285 CarbonylContact C-O 3.39Å; G182-P285 WeakPolarHBondContact CA-O 3.14Å; G182-P285 WeakPolarHBondContact O-CB 3.43Å; L183-P285 HydrophobicContact CD2-CB 3.79Å; L183-P285 HydrophobicContact CD2-CG 4.03Å; L183-P285 HydrophobicContact CG-CB 4.36Å; P285-F287 PolarHBondContact O-N 2.95Å; P285-T289 WeakPolarHBondContact O-CB 2.98Å; P285-T289 PolarHBondContact O-N 3.31Å; P285-T289 PolarHBondContact O-OG1 2.68Å
286I97.4Very high95.1Very high68 Ų6843.4 Ų43.435%0.34924%0.24SC..Hα-helixtrans-66.5-28-179-54.1-54000111.9L183 G284 M288 T289 I290L183-I286 HydrophobicContact CD1-CD1 4.14Å; L183-I286 HydrophobicContact CD2-CD1 4.1Å; L183-I286 HydrophobicContact CG-CD1 4.15Å; G284-I286 VanDerWaalsContact C-N 3.31Å; G284-I286 PolarHBondContact O-N 3.12Å; I286-M288 VanDerWaalsContact C-N 3.32Å; I286-M288 PolarHBondContact O-N 3.46Å; I286-T289 PolarHBondContact O-N 3.33Å; I286-I290 HydrophobicContact CG2-CD1 3.57Å; I286-I290 HydrophobicContact CG2-CG1 3.88Å; I286-I290 PolarHBondContact O-N 3.33Å
287F97.1Very high94.9Very high80 Ų8043 Ų4335%0.35124%0.241SC..Hα-helixtrans-55.7-43.8-175.9-175.7-123.6000112.8V271 Y274 I275 F283 G284 P285 P291V271-F287 HydrophobicContact CB-CE1 4.46Å; V271-F287 HydrophobicContact CB-CZ 4.45Å; V271-F287 HydrophobicContact CG1-CD1 3.79Å; V271-F287 HydrophobicContact CG1-CE1 3.64Å; V271-F287 HydrophobicContact CG1-CG 4.33Å; V271-F287 HydrophobicContact CG1-CZ 4.04Å; V271-F287 HydrophobicContact CG2-CE1 4.47Å; V271-F287 HydrophobicContact CG2-CE2 4.13Å; V271-F287 HydrophobicContact CG2-CZ 4.02Å; Y274-F287 AromaticContact CD1-CE1 3.65Å; Y274-F287 HydrophobicContact CD1-CE1 3.65Å; Y274-F287 AromaticContact CD1-CZ 3.71Å; Y274-F287 HydrophobicContact CD1-CZ 3.71Å; Y274-F287 HydrophobicContact CE1-CE1 4.17Å; Y274-F287 HydrophobicContact CE1-CZ 4.17Å; Y274-F287 HydrophobicContact CG-CE1 4.49Å; Y274-F287 HydrophobicContact CG-CZ 4.24Å; I275-F287 HydrophobicContact CD1-CD1 4.1Å; I275-F287 HydrophobicContact CD1-CE1 4.2Å; I275-F287 HydrophobicContact CG1-CD1 4.2Å; I275-F287 HydrophobicContact CG1-CE1 3.9Å; F283-F287 HydrophobicContact CB-CB 4.49Å; F283-F287 HydrophobicContact CB-CD1 3.84Å; F283-F287 HydrophobicContact CB-CE1 4.43Å; F283-F287 HydrophobicContact CB-CG 4.36Å; F283-F287 HydrophobicContact CG-CD1 4.43Å; G284-F287 VanDerWaalsContact O-CB 3.28Å; G284-F287 WeakPolarHBondContact O-CB 3.36Å; G284-F287 PolarHBondContact O-N 3.04Å; P285-F287 PolarHBondContact O-N 2.95Å; F287-P291 VanDerWaalsContact O-CD 3.27Å; F287-P291 WeakPolarHBondContact O-CD 3.19Å; F287-P291 WeakPolarHBondContact O-CG 3.49Å
288M97.1Very high94.6Very high2 Ų239.8 Ų39.81%0.0122%0.221CC..Hα-helixtrans-93.5-24.8175.5-172.550.4112.500113.4E181 Y191 Y268 V271 A272 I275 I286 I290 P291 A292E181-M288 HydrophobicContact CB-CG 4.02Å; E181-M288 HydrophobicContact CG-CG 4.25Å; Y191-M288 HydrophobicContact CD2-CE 4.43Å; Y191-M288 HydrophobicContact CE1-CE 3.7Å; Y191-M288 HydrophobicContact CE2-CE 3.53Å; Y191-M288 WeakPolarHBondContact OH-CE 3.49Å; Y191-M288 VanDerWaalsContact OH-CG 3.3Å; Y191-M288 WeakPolarHBondContact OH-CG 3.28Å; Y268-M288 HydrophobicContact CD2-CE 4.2Å; Y268-M288 HydrophobicContact CD2-SD 3.74Å; Y268-M288 HydrophobicContact CE2-CE 3.81Å; Y268-M288 HydrophobicContact CE2-SD 3.59Å; Y268-M288 VanDerWaalsContact CE2-SD 3.59Å; V271-M288 HydrophobicContact CB-CE 4.39Å; V271-M288 HydrophobicContact CB-SD 4.27Å; V271-M288 HydrophobicContact CG1-CB 4.26Å; V271-M288 HydrophobicContact CG1-CE 3.82Å; V271-M288 HydrophobicContact CG1-SD 3.58Å; V271-M288 VanDerWaalsContact CG1-SD 3.58Å; A272-M288 HydrophobicContact CB-CE 3.72Å; I275-M288 HydrophobicContact CD1-CB 4.36Å; I275-M288 HydrophobicContact CD1-CE 4.2Å; I286-M288 VanDerWaalsContact C-N 3.32Å; I286-M288 PolarHBondContact O-N 3.46Å; M288-I290 PolarHBondContact O-N 3.29Å; M288-P291 WeakPolarHBondContact O-CD 3.13Å; M288-P291 WeakPolarHBondContact O-CG 3.47Å; M288-P291 HydrophobicContact SD-CG 4Å; M288-A292 HydrophobicContact CG-CB 4.48Å; M288-A292 WeakPolarHBondContact O-CB 3.33Å; M288-A292 PolarHBondContact O-N 3.24Å; M288-A292 HydrophobicContact SD-CB 4.48Å
289T98.1Very high94.3Very high7 Ų735.5 Ų35.54%0.04320%0.201CC..Hα-helixtrans-60-47.4-178.7-58.70000112.1L40 G182 L183 P285 I286 F293L40-T289 HydrophobicContact CD1-CG2 3.97Å; L40-T289 HydrophobicContact CD2-CG2 4.09Å; G182-T289 WeakPolarHBondContact CA-OG1 3.34Å; L183-T289 HydrophobicContact CB-CG2 4.45Å; L183-T289 HydrophobicContact CD1-CG2 4.07Å; L183-T289 HydrophobicContact CG-CG2 4.16Å; L183-T289 PolarHBondContact N-OG1 3.36Å; P285-T289 WeakPolarHBondContact O-CB 2.98Å; P285-T289 PolarHBondContact O-N 3.31Å; P285-T289 PolarHBondContact O-OG1 2.68Å; I286-T289 PolarHBondContact O-N 3.33Å; T289-F293 HydrophobicContact CG2-CD2 3.84Å; T289-F293 HydrophobicContact CG2-CE2 4.07Å; T289-F293 WeakPolarHBondContact O-CB 3.44Å; T289-F293 VanDerWaalsContact O-CD2 3.3Å; T289-F293 WeakPolarHBondContact O-CD2 3.19Å; T289-F293 PolarHBondContact O-N 3.41Å
290I97.6Very high94.1Very high116 Ų11634.1 Ų34.160%0.59520%0.195SC*.Hα-helixtrans-59.1-58-177.6-65.3173.3000111.6I286 M288 A292 F294I286-I290 HydrophobicContact CG2-CD1 3.57Å; I286-I290 HydrophobicContact CG2-CG1 3.88Å; I286-I290 PolarHBondContact O-N 3.33Å; M288-I290 PolarHBondContact O-N 3.29Å; I290-A292 PolarHBondContact O-N 3.21Å; I290-F294 WeakPolarHBondContact O-CB 3.37Å; I290-F294 PolarHBondContact O-N 2.68Å
291P97.4Very high94Very high11 Ų1134.5 Ų34.57%0.07119%0.185CC..Hα-helixtrans-67.3-35.1-178.728.1-37.8000113P267 V271 F287 M288 F294 A295P267-P291 HydrophobicContact CB-CB 4.04Å; V271-P291 HydrophobicContact CB-CG 4.22Å; V271-P291 HydrophobicContact CG1-CG 4.29Å; V271-P291 HydrophobicContact CG2-CG 4.11Å; F287-P291 VanDerWaalsContact O-CD 3.27Å; F287-P291 WeakPolarHBondContact O-CD 3.19Å; F287-P291 WeakPolarHBondContact O-CG 3.49Å; M288-P291 WeakPolarHBondContact O-CD 3.13Å; M288-P291 WeakPolarHBondContact O-CG 3.47Å; M288-P291 HydrophobicContact SD-CG 4Å; P291-F294 PolarHBondContact O-N 3.45Å; P291-A295 WeakPolarHBondContact O-CB 3.45Å; P291-A295 PolarHBondContact O-N 3Å
292A96.5Very high93.5Very high4 Ų433.7 Ų33.73%0.03318%0.179CC..Hα-helixtrans-62.9-46.9178.900000112.1E181 Y268 M288 I290E181-A292 HydrophobicContact CG-CB 4.49Å; E181-A292 WeakPolarHBondContact OE1-CB 3.23Å; Y268-A292 HydrophobicContact CD2-CB 4Å; Y268-A292 HydrophobicContact CE2-CB 3.75Å; M288-A292 HydrophobicContact CG-CB 4.48Å; M288-A292 WeakPolarHBondContact O-CB 3.33Å; M288-A292 PolarHBondContact O-N 3.24Å; M288-A292 HydrophobicContact SD-CB 4.48Å; I290-A292 PolarHBondContact O-N 3.21Å
293F96.8Very high92.8Very high10 Ų1027.7 Ų27.74%0.04415%0.147CC..Hα-helixtrans-73.2-36.3177.4-80.8-99.4000111.7L40 Y43 M44 T94 C185 T289 A295 K296L40-F293 HydrophobicContact CB-CE1 4.09Å; L40-F293 HydrophobicContact CB-CZ 4.36Å; L40-F293 HydrophobicContact CD1-CE1 4.24Å; L40-F293 HydrophobicContact CD1-CE2 3.91Å; L40-F293 HydrophobicContact CD1-CZ 3.74Å; L40-F293 HydrophobicContact CD2-CD1 3.81Å; L40-F293 HydrophobicContact CD2-CD2 4.1Å; L40-F293 HydrophobicContact CD2-CE1 3.94Å; L40-F293 HydrophobicContact CD2-CE2 4.24Å; L40-F293 HydrophobicContact CD2-CG 3.88Å; L40-F293 HydrophobicContact CD2-CZ 4.16Å; L40-F293 HydrophobicContact CG-CE1 4.32Å; L40-F293 HydrophobicContact CG-CZ 4.32Å; Y43-F293 HydrophobicContact CD1-CB 4.42Å; Y43-F293 AromaticContact CD1-CD1 4Å; Y43-F293 HydrophobicContact CD1-CD1 4Å; Y43-F293 HydrophobicContact CE1-CB 4.06Å; Y43-F293 HydrophobicContact CE1-CD1 4.24Å; Y43-F293 WeakPolarHBondContact CE1-O 3.44Å; Y43-F293 PolarHBondContact OH-O 3.17Å; Y43-F293 VanDerWaalsContact OH-O 3.06Å; M44-F293 HydrophobicContact CG-CD1 4.15Å; M44-F293 HydrophobicContact CG-CE1 3.73Å; M44-F293 HydrophobicContact SD-CD1 3.63Å; M44-F293 HydrophobicContact SD-CE1 3.71Å; T94-F293 HydrophobicContact CG2-CE1 3.66Å; T94-F293 HydrophobicContact CG2-CZ 3.74Å; C185-F293 HydrophobicContact CB-CZ 3.97Å; T289-F293 HydrophobicContact CG2-CD2 3.84Å; T289-F293 HydrophobicContact CG2-CE2 4.07Å; T289-F293 WeakPolarHBondContact O-CB 3.44Å; T289-F293 VanDerWaalsContact O-CD2 3.3Å; T289-F293 WeakPolarHBondContact O-CD2 3.19Å; T289-F293 PolarHBondContact O-N 3.41Å; F293-A295 VanDerWaalsContact C-N 3.31Å; F293-A295 PolarHBondContact O-N 2.86Å; F293-K296 WeakPolarHBondContact O-CB 3.34Å; F293-K296 PolarHBondContact O-N 3Å; F293-K296 VanDerWaalsContact O-N 3.16Å
294F95.6Very high92.2Very high89 Ų8930 Ų3039%0.3916%0.162SC..Hα-helixtrans-60.5-40.3174.8-175.8-99.7000112.2I263 I290 P291 K296 S297I263-F294 HydrophobicContact CG2-CE1 3.73Å; I263-F294 HydrophobicContact CG2-CZ 3.73Å; I263-F294 VanDerWaalsContact O-CE1 3.29Å; I263-F294 WeakPolarHBondContact O-CE1 3.49Å; I290-F294 WeakPolarHBondContact O-CB 3.37Å; I290-F294 PolarHBondContact O-N 2.68Å; P291-F294 PolarHBondContact O-N 3.45Å; F294-K296 PolarHBondContact O-N 2.8Å; F294-S297 VanDerWaalsContact O-CB 3.32Å; F294-S297 WeakPolarHBondContact O-CB 3.39Å; F294-S297 PolarHBondContact O-N 3.26Å; F294-S297 PolarHBondContact O-OG 3.03Å
295A93.7Very high91.5Very high5 Ų529.5 Ų29.54%0.04115%0.151CC..Hα-helixtrans-59-33.5177.100000112.5C264 W265 P291 F293 S297 A298C264-A295 VanDerWaalsContact SG-CA 3.59Å; C264-A295 PolarHBondContact SG-O 2.79Å; C264-A295 VanDerWaalsContact SG-O 3.36Å; W265-A295 HydrophobicContact CE3-CB 4.39Å; W265-A295 HydrophobicContact CZ3-CB 4.22Å; P291-A295 WeakPolarHBondContact O-CB 3.45Å; P291-A295 PolarHBondContact O-N 3Å; F293-A295 VanDerWaalsContact C-N 3.31Å; F293-A295 PolarHBondContact O-N 2.86Å; A295-S297 PolarHBondContact O-N 2.7Å; A295-S297 VanDerWaalsContact O-N 3.14Å; A295-A298 WeakPolarHBondContact O-CB 3.43Å; A295-A298 PolarHBondContact O-N 2.97Å
296K94.5Very high90.3Very high9 Ų929.7 Ų29.74%0.03915%0.15CC..Hα-helixtrans-63.4-20177.7-60.8178.1-160.2-73.10113.1M44 L47 F91 E113 S186 F293 F294 A298 S299M44-K296 HydrophobicContact CE-CD 3.7Å; M44-K296 HydrophobicContact SD-CD 3.8Å; L47-K296 HydrophobicContact CD1-CB 3.73Å; F91-K296 HydrophobicContact CD1-CD 4.3Å; F91-K296 HydrophobicContact CE1-CB 3.73Å; F91-K296 HydrophobicContact CE1-CD 4.04Å; F91-K296 HydrophobicContact CE1-CG 3.83Å; F91-K296 HydrophobicContact CZ-CB 3.79Å; F91-K296 HydrophobicContact CZ-CG 4.39Å; F91-K296 WeakPolarHBondContact CZ-O 3.27Å; E113-K296 IonicContact OE1-NZ 2.63Å; E113-K296 PolarHBondContact OE1-NZ 2.9Å; S186-K296 WeakPolarHBondContact OG-CE 3.26Å; S186-K296 PolarHBondContact OG-NZ 3.41Å; F293-K296 WeakPolarHBondContact O-CB 3.34Å; F293-K296 PolarHBondContact O-N 3Å; F293-K296 VanDerWaalsContact O-N 3.16Å; F294-K296 PolarHBondContact O-N 2.8Å; K296-A298 PolarHBondContact O-N 3.37Å; K296-A298 VanDerWaalsContact O-N 3.13Å; K296-S299 PolarHBondContact O-N 2.94Å; K296-S299 PolarHBondContact O-OG 2.96Å
297S92.2Very high89.2Confident21 Ų2127.6 Ų27.615%0.14714%0.139CC..THydrogen-bonded Turntrans-64.2-12.7172.570.50000114.3F294 A295 S299 I300 Y301F294-S297 VanDerWaalsContact O-CB 3.32Å; F294-S297 WeakPolarHBondContact O-CB 3.39Å; F294-S297 PolarHBondContact O-N 3.26Å; F294-S297 PolarHBondContact O-OG 3.03Å; A295-S297 PolarHBondContact O-N 2.7Å; A295-S297 VanDerWaalsContact O-N 3.14Å; S297-S299 PolarHBondContact O-N 3.34Å; S297-I300 PolarHBondContact O-N 3.02Å; S297-Y301 WeakPolarHBondContact O-CD1 3.34Å; S297-Y301 PolarHBondContact O-N 3.21Å
298A89.2Confident88Confident2 Ų229.7 Ų29.72%0.01715%0.151CC..Hα-helixtrans-49.9-37.6172.700000113.8W265 A295 K296 I300 Y301 N302W265-A298 HydrophobicContact CZ2-CB 4.46Å; A295-A298 WeakPolarHBondContact O-CB 3.43Å; A295-A298 PolarHBondContact O-N 2.97Å; K296-A298 PolarHBondContact O-N 3.37Å; K296-A298 VanDerWaalsContact O-N 3.13Å; A298-I300 PolarHBondContact O-N 3.4Å; A298-Y301 VanDerWaalsContact CA-CZ 3.41Å; A298-Y301 HydrophobicContact CB-CE1 3.87Å; A298-Y301 VanDerWaalsContact CB-OH 3.31Å; A298-Y301 WeakPolarHBondContact CB-OH 3Å; A298-Y301 VanDerWaalsContact N-CE1 3.34Å; A298-N302 VanDerWaalsContact O-CB 3.23Å; A298-N302 WeakPolarHBondContact O-CB 3.22Å; A298-N302 VanDerWaalsContact O-CG 3.3Å; A298-N302 PolarHBondContact O-N 3.3Å; A298-N302 PolarHBondContact O-ND2 2.94Å
299S89.3Confident86.7Confident0 Ų032 Ų320%016%0.163CC..Hα-helixtrans-65.8-11-179.272.90000114.1N55 D83 F91 K296 S297N55-S299 PolarHBondContact ND2-O 3.19Å; D83-S299 WeakPolarHBondContact OD1-CA 3.39Å; F91-S299 VanDerWaalsContact CE2-OG 3.3Å; F91-S299 WeakPolarHBondContact CE2-OG 3.39Å; K296-S299 PolarHBondContact O-N 2.94Å; K296-S299 PolarHBondContact O-OG 2.96Å; S297-S299 PolarHBondContact O-N 3.34Å
300I88.8Confident85.6Confident27 Ų2733.1 Ų33.114%0.13817%0.169CC..Hα-helixtrans-108-54.9178.4-57.8-178.3000110.6L47 L50 I54 S297 A298 N302 P303 V304L47-I300 HydrophobicContact CD2-CD1 3.44Å; L47-I300 VanDerWaalsContact CD2-CD1 3.44Å; L47-I300 HydrophobicContact CD2-CG1 4.27Å; L50-I300 HydrophobicContact CB-CD1 3.69Å; L50-I300 HydrophobicContact CB-CG1 4.43Å; L50-I300 HydrophobicContact CD1-CD1 4.07Å; I54-I300 HydrophobicContact CD1-CG2 4.07Å; S297-I300 PolarHBondContact O-N 3.02Å; A298-I300 PolarHBondContact O-N 3.4Å; I300-N302 PolarHBondContact O-N 2.94Å; I300-P303 WeakPolarHBondContact O-CD 3.38Å; I300-V304 HydrophobicContact CG2-CG2 4.27Å; I300-V304 VanDerWaalsContact O-CG2 3.3Å; I300-V304 WeakPolarHBondContact O-CG2 3.5Å; I300-V304 PolarHBondContact O-N 3.47Å
301Y83.2Confident84.5Confident47 Ų4733 Ų3318%0.18416%0.164CC..Hα-helixtrans-68-28.8-170.170.8-112.5000111.4A260 C264 S297 A298 V304 I305A260-Y301 HydrophobicContact CB-CD2 4.28Å; A260-Y301 HydrophobicContact CB-CE2 4.11Å; C264-Y301 HydrophobicContact CB-CE1 3.78Å; C264-Y301 WeakPolarHBondContact CB-OH 3.38Å; C264-Y301 PolarHBondContact SG-OH 2.89Å; S297-Y301 WeakPolarHBondContact O-CD1 3.34Å; S297-Y301 PolarHBondContact O-N 3.21Å; A298-Y301 VanDerWaalsContact CA-CZ 3.41Å; A298-Y301 HydrophobicContact CB-CE1 3.87Å; A298-Y301 VanDerWaalsContact CB-OH 3.31Å; A298-Y301 WeakPolarHBondContact CB-OH 3Å; A298-Y301 VanDerWaalsContact N-CE1 3.34Å; Y301-V304 PolarHBondContact O-N 2.87Å; Y301-I305 HydrophobicContact CD2-CD1 3.86Å; Y301-I305 VanDerWaalsContact O-CG1 3.24Å; Y301-I305 WeakPolarHBondContact O-CG1 3.4Å; Y301-I305 PolarHBondContact O-N 2.89Å
302N80.6Confident83.6Confident13 Ų1334.9 Ų34.97%0.0717%0.172CC..Hα-helixtrans-56.7-63.8177.4-83.8-21.7000110.8L79 A298 I300 V304 I305 Y306L79-N302 HydrophobicContact CD2-CB 3.71Å; L79-N302 HydrophobicContact CG-CB 4.35Å; A298-N302 VanDerWaalsContact O-CB 3.23Å; A298-N302 WeakPolarHBondContact O-CB 3.22Å; A298-N302 VanDerWaalsContact O-CG 3.3Å; A298-N302 PolarHBondContact O-N 3.3Å; A298-N302 PolarHBondContact O-ND2 2.94Å; I300-N302 PolarHBondContact O-N 2.94Å; N302-V304 VanDerWaalsContact C-N 3.27Å; N302-V304 PolarHBondContact O-N 3.18Å; N302-I305 PolarHBondContact O-N 3.3Å; N302-Y306 HydrophobicContact CB-CE2 4.36Å; N302-Y306 WeakPolarHBondContact O-CD2 3.24Å; N302-Y306 PolarHBondContact O-N 3.4Å; N302-Y306 VanDerWaalsContact O-N 3.15Å
303P80.1Confident82.8Confident6 Ų634.8 Ų34.84%0.03917%0.17CC..Hα-helixtrans-52.8-41.4173.8-27.931.5000114I54 N55 I300 I305 Y306 I307I54-P303 HydrophobicContact CG2-CB 3.42Å; I54-P303 VanDerWaalsContact CG2-CB 3.42Å; I54-P303 HydrophobicContact CG2-CG 4Å; N55-P303 WeakPolarHBondContact OD1-CG 3.49Å; I300-P303 WeakPolarHBondContact O-CD 3.38Å; P303-I305 PolarHBondContact O-N 2.99Å; P303-Y306 PolarHBondContact O-N 3.44Å; P303-I307 HydrophobicContact CB-CD1 4.18Å; P303-I307 WeakPolarHBondContact O-CB 3.4Å; P303-I307 WeakPolarHBondContact O-CD1 3.43Å; P303-I307 WeakPolarHBondContact O-CG1 3.49Å; P303-I307 PolarHBondContact O-N 2.98Å
304V82.1Confident82.2Confident63 Ų6338.7 Ų38.738%0.38219%0.185SC..Hα-helixtrans-60.2-45.3-179.1171.10000111.2I54 I300 Y301 N302 M308I54-V304 HydrophobicContact CD1-CG2 4.5Å; I300-V304 HydrophobicContact CG2-CG2 4.27Å; I300-V304 VanDerWaalsContact O-CG2 3.3Å; I300-V304 WeakPolarHBondContact O-CG2 3.5Å; I300-V304 PolarHBondContact O-N 3.47Å; Y301-V304 PolarHBondContact O-N 2.87Å; N302-V304 VanDerWaalsContact C-N 3.27Å; N302-V304 PolarHBondContact O-N 3.18Å; V304-M308 HydrophobicContact CG1-CG 4.22Å; V304-M308 VanDerWaalsContact O-CB 3.22Å; V304-M308 WeakPolarHBondContact O-CB 3.48Å; V304-M308 WeakPolarHBondContact O-CG 3.34Å; V304-M308 PolarHBondContact O-N 3.33Å
305I77.9Confident81.6Confident27 Ų2737 Ų3714%0.13818%0.18CC..Hα-helixtrans-58.4-52.1175.4-69.1167.5000109I256 M257 A260 Y301 N302 P303 I307 M308 M309I256-I305 HydrophobicContact CG2-CD1 4.29Å; I256-I305 HydrophobicContact CG2-CG1 4.3Å; I256-I305 HydrophobicContact CG2-CG2 3.97Å; M257-I305 HydrophobicContact CG-CG2 4.36Å; A260-I305 HydrophobicContact CB-CD1 3.41Å; A260-I305 VanDerWaalsContact CB-CD1 3.41Å; Y301-I305 HydrophobicContact CD2-CD1 3.86Å; Y301-I305 VanDerWaalsContact O-CG1 3.24Å; Y301-I305 WeakPolarHBondContact O-CG1 3.4Å; Y301-I305 PolarHBondContact O-N 2.89Å; N302-I305 PolarHBondContact O-N 3.3Å; P303-I305 PolarHBondContact O-N 2.99Å; I305-I307 PolarHBondContact O-N 3.25Å; I305-M308 PolarHBondContact O-N 3.18Å; I305-M309 HydrophobicContact CG2-CG 4.26Å; I305-M309 HydrophobicContact CG2-SD 3.77Å; I305-M309 WeakPolarHBondContact O-CB 3.38Å; I305-M309 WeakPolarHBondContact O-CG 3.46Å; I305-M309 PolarHBondContact O-N 2.93Å
306Y70.4Confident81.2Confident17 Ų1737.4 Ų37.47%0.06718%0.182CC..Hα-helixtrans-66.4-39.9-175.5-63.2-64.7000113.8L76 L79 L128 L131 M257 N302 P303 N310L76-Y306 VanDerWaalsContact CD2-CB 3.48Å; L76-Y306 HydrophobicContact CD2-CD1 3.39Å; L76-Y306 HydrophobicContact CD2-CD2 3.53Å; L76-Y306 HydrophobicContact CD2-CE1 3.9Å; L76-Y306 HydrophobicContact CD2-CE2 4.1Å; L76-Y306 HydrophobicContact CD2-CG 3.16Å; L76-Y306 HydrophobicContact CG-CG 4.49Å; L79-Y306 HydrophobicContact CD2-CD2 4Å; L79-Y306 HydrophobicContact CD2-CE2 3.37Å; L128-Y306 VanDerWaalsContact CD2-OH 3.28Å; L128-Y306 WeakPolarHBondContact CD2-OH 3.31Å; L131-Y306 HydrophobicContact CD2-CE1 4.36Å; M257-Y306 HydrophobicContact CE-CE1 3.52Å; M257-Y306 WeakPolarHBondContact CE-OH 3.5Å; M257-Y306 HydrophobicContact SD-CE1 3.92Å; N302-Y306 HydrophobicContact CB-CE2 4.36Å; N302-Y306 WeakPolarHBondContact O-CD2 3.24Å; N302-Y306 PolarHBondContact O-N 3.4Å; N302-Y306 VanDerWaalsContact O-N 3.15Å; P303-Y306 PolarHBondContact O-N 3.44Å; Y306-N310 WeakPolarHBondContact O-CB 3.36Å; Y306-N310 PolarHBondContact O-N 3.23Å
307I74.3Confident80.8Confident24 Ų2437.9 Ų37.912%0.12319%0.185CC..Hα-helixtrans-64.6-47.1176.8-66.7161.8000110.5I54 P303 I305 M309 F313 M317I54-I307 HydrophobicContact CG2-CD1 4.33Å; P303-I307 HydrophobicContact CB-CD1 4.18Å; P303-I307 WeakPolarHBondContact O-CB 3.4Å; P303-I307 WeakPolarHBondContact O-CD1 3.43Å; P303-I307 WeakPolarHBondContact O-CG1 3.49Å; P303-I307 PolarHBondContact O-N 2.98Å; I305-I307 PolarHBondContact O-N 3.25Å; I307-M309 VanDerWaalsContact C-N 3.31Å; I307-M309 PolarHBondContact O-N 3.25Å; I307-F313 HydrophobicContact CB-CD1 4.39Å; I307-F313 HydrophobicContact CG1-CD1 3.86Å; I307-F313 HydrophobicContact CG1-CE1 3.73Å; I307-F313 HydrophobicContact CG2-CD1 4.41Å; I307-M317 HydrophobicContact CD1-CE 3.72Å; I307-M317 HydrophobicContact CD1-SD 4.08Å; I307-M317 HydrophobicContact CG1-CE 4.23Å; I307-M317 HydrophobicContact CG1-SD 4.33Å; I307-M317 HydrophobicContact CG2-SD 3.83Å
308M72.9Confident80.5Confident123 Ų12338.6 Ų38.661%0.60619%0.187SC*.Hα-helixtrans-69.9-31.5-177.3-70-63.4-7200112.2V304 I305V304-M308 HydrophobicContact CG1-CG 4.22Å; V304-M308 VanDerWaalsContact O-CB 3.22Å; V304-M308 WeakPolarHBondContact O-CB 3.48Å; V304-M308 WeakPolarHBondContact O-CG 3.34Å; V304-M308 PolarHBondContact O-N 3.33Å; I305-M308 PolarHBondContact O-N 3.18Å
309M69.2Low80.3Confident50 Ų5040.4 Ų40.425%0.24620%0.198CC..Hα-helixtrans-85.8-25.2-178.8-64.9-160.272.700113.5M253 I256 I305 I307M253-M309 HydrophobicContact CB-CE 3.45Å; M253-M309 VanDerWaalsContact CB-CE 3.45Å; M253-M309 HydrophobicContact CB-SD 4.43Å; M253-M309 HydrophobicContact CG-CE 3.71Å; M253-M309 HydrophobicContact CG-SD 4.13Å; I256-M309 HydrophobicContact CB-SD 4.3Å; I256-M309 HydrophobicContact CD1-CE 4.13Å; I256-M309 HydrophobicContact CD1-SD 4.07Å; I256-M309 HydrophobicContact CG2-SD 4.12Å; I305-M309 HydrophobicContact CG2-CG 4.26Å; I305-M309 HydrophobicContact CG2-SD 3.77Å; I305-M309 WeakPolarHBondContact O-CB 3.38Å; I305-M309 WeakPolarHBondContact O-CG 3.46Å; I305-M309 PolarHBondContact O-N 2.93Å; I307-M309 VanDerWaalsContact C-N 3.31Å; I307-M309 PolarHBondContact O-N 3.25Å
310N74.6Confident80.2Confident32 Ų3241.8 Ų41.817%0.17121%0.206CC..  trans-98.896.7-179.6-170.7-23.6000111.7Y306 Q312 F313 R314Y306-N310 WeakPolarHBondContact O-CB 3.36Å; Y306-N310 PolarHBondContact O-N 3.23Å; N310-Q312 VanDerWaalsContact C-N 3.27Å; N310-Q312 PolarHBondContact O-N 3.11Å; N310-Q312 WeakPolarHBondContact OD1-CB 3.43Å; N310-Q312 PolarHBondContact OD1-N 3.46Å; N310-Q312 VanDerWaalsContact OD1-N 3.13Å; N310-F313 HydrophobicContact CB-CB 3.73Å; N310-F313 WeakPolarHBondContact O-CB 3.35Å; N310-F313 PolarHBondContact O-N 2.95Å; N310-F313 VanDerWaalsContact O-N 3.1Å; N310-F313 PolarHBondContact OD1-N 3.03Å; N310-R314 PolarHBondContact O-N 3.24Å
311K76.2Confident80.1Confident112 Ų11245.3 Ų45.349%0.48722%0.224SC..Hα-helixtrans-55.5-40.1178.3-67.8-178.4-174.6166.60112.9E249 F313 R314 N315E249-K311 IonicContact OE1-NZ 2.86Å; K311-F313 VanDerWaalsContact C-N 3.35Å; K311-R314 PolarHBondContact O-N 3.06Å; K311-N315 VanDerWaalsContact O-CG 3.26Å; K311-N315 PolarHBondContact O-N 2.85Å; K311-N315 PolarHBondContact O-OD1 3.2Å
312Q77.7Confident80.3Confident52 Ų5245.3 Ų45.324%0.24323%0.231CC..Hα-helixtrans-62.9-45.7178.6-173.2-170.8-19.700110.4K67 L68 N310 C316K67-Q312 PolarHBondContact O-NE2 3.1Å; L68-Q312 HydrophobicContact CD2-CG 3.99Å; N310-Q312 VanDerWaalsContact C-N 3.27Å; N310-Q312 PolarHBondContact O-N 3.11Å; N310-Q312 WeakPolarHBondContact OD1-CB 3.43Å; N310-Q312 PolarHBondContact OD1-N 3.46Å; N310-Q312 VanDerWaalsContact OD1-N 3.13Å; Q312-C316 PolarHBondContact O-N 3.06Å; Q312-C316 VanDerWaalsContact O-N 3.17Å
313F80.5Confident80.6Confident1 Ų150.6 Ų50.60%0.00427%0.267CS..Hα-helixtrans-62.5-48.6177.7-164.7-84000111.8T58 V61 T62 L68 I307 N310 K311 N315 C316 M317T58-F313 HydrophobicContact CG2-CE1 4.45Å; T58-F313 HydrophobicContact CG2-CE2 4.4Å; T58-F313 HydrophobicContact CG2-CZ 3.74Å; V61-F313 HydrophobicContact CB-CZ 4.35Å; V61-F313 HydrophobicContact CG1-CZ 4.25Å; T62-F313 WeakPolarHBondContact OG1-CE2 3.19Å; L68-F313 HydrophobicContact CD1-CD2 3.92Å; L68-F313 HydrophobicContact CD1-CE2 4.05Å; L68-F313 HydrophobicContact CD2-CD2 4.31Å; I307-F313 HydrophobicContact CB-CD1 4.39Å; I307-F313 HydrophobicContact CG1-CD1 3.86Å; I307-F313 HydrophobicContact CG1-CE1 3.73Å; I307-F313 HydrophobicContact CG2-CD1 4.41Å; N310-F313 HydrophobicContact CB-CB 3.73Å; N310-F313 WeakPolarHBondContact O-CB 3.35Å; N310-F313 PolarHBondContact O-N 2.95Å; N310-F313 VanDerWaalsContact O-N 3.1Å; N310-F313 PolarHBondContact OD1-N 3.03Å; K311-F313 VanDerWaalsContact C-N 3.35Å; F313-N315 VanDerWaalsContact C-N 3.31Å; F313-N315 PolarHBondContact O-N 3.02Å; F313-C316 PolarHBondContact O-N 3.26Å; F313-M317 HydrophobicContact CD1-CB 4.48Å; F313-M317 HydrophobicContact CE1-CB 4.4Å; F313-M317 HydrophobicContact CE1-CE 3.74Å; F313-M317 HydrophobicContact CE1-SD 4.23Å; F313-M317 WeakPolarHBondContact O-CB 3.49Å; F313-M317 PolarHBondContact O-N 2.78Å
314R83.3Confident80.3Confident93 Ų9353.1 Ų53.135%0.35129%0.294SS..Hα-helixtrans-55.5-45.2179-173178.967.4-171.26.1112.1N310 K311 M317 L318N310-R314 PolarHBondContact O-N 3.24Å; K311-R314 PolarHBondContact O-N 3.06Å; R314-M317 PolarHBondContact O-N 3.41Å; R314-L318 HydrophobicContact CG-CD1 4.22Å; R314-L318 WeakPolarHBondContact O-CG 3.38Å; R314-L318 PolarHBondContact O-N 2.61Å
315N83.8Confident79.9Confident53 Ų5357.9 Ų57.928%0.28331%0.31SS..Hα-helixtrans-66-45.2179.5-68.60.5000111.4K311 F313 M317 L318 T319K311-N315 VanDerWaalsContact O-CG 3.26Å; K311-N315 PolarHBondContact O-N 2.85Å; K311-N315 PolarHBondContact O-OD1 3.2Å; F313-N315 VanDerWaalsContact C-N 3.31Å; F313-N315 PolarHBondContact O-N 3.02Å; N315-M317 VanDerWaalsContact C-N 3.31Å; N315-M317 PolarHBondContact O-N 3Å; N315-L318 PolarHBondContact O-N 3.29Å; N315-T319 PolarHBondContact O-N 2.95Å; N315-T319 PolarHBondContact O-OG1 2.85Å
316C84.2Confident79.5Confident14 Ų1459.1 Ų59.110%0.09532%0.317CS..Hα-helixtrans-61.5-38.4174.9-74.90000112.6V61 H65 L68 Q312 F313 T319 T320V61-C316 HydrophobicContact CG1-CB 4.06Å; H65-C316 HydrophobicContact CB-CB 4.45Å; H65-C316 PolarHBondContact NE2-O 2.85Å; L68-C316 HydrophobicContact CD1-CB 3.89Å; L68-C316 HydrophobicContact CG-CB 4.42Å; Q312-C316 PolarHBondContact O-N 3.06Å; Q312-C316 VanDerWaalsContact O-N 3.17Å; F313-C316 PolarHBondContact O-N 3.26Å; C316-T319 PolarHBondContact O-N 3.12Å; C316-T320 PolarHBondContact O-N 3.05Å; C316-T320 PolarHBondContact O-OG1 2.72Å
317M85.5Confident79.1Confident18 Ų1862.8 Ų62.89%0.08934%0.342CS..Hα-helixtrans-64.9-46176.6-177.2174.9-106.200111.1L57 V61 I307 F313 R314 N315 T319 T320 I321L57-M317 HydrophobicContact CB-CE 4.13Å; L57-M317 HydrophobicContact CD2-CE 3.68Å; L57-M317 HydrophobicContact CD2-CG 4.08Å; L57-M317 HydrophobicContact CD2-SD 4.22Å; L57-M317 HydrophobicContact CG-CE 3.6Å; L57-M317 HydrophobicContact CG-CG 4.4Å; V61-M317 HydrophobicContact CG1-CB 4.32Å; V61-M317 HydrophobicContact CG2-CB 4.29Å; V61-M317 HydrophobicContact CG2-CG 4.27Å; I307-M317 HydrophobicContact CD1-CE 3.72Å; I307-M317 HydrophobicContact CD1-SD 4.08Å; I307-M317 HydrophobicContact CG1-CE 4.23Å; I307-M317 HydrophobicContact CG1-SD 4.33Å; I307-M317 HydrophobicContact CG2-SD 3.83Å; F313-M317 HydrophobicContact CD1-CB 4.48Å; F313-M317 HydrophobicContact CE1-CB 4.4Å; F313-M317 HydrophobicContact CE1-CE 3.74Å; F313-M317 HydrophobicContact CE1-SD 4.23Å; F313-M317 WeakPolarHBondContact O-CB 3.49Å; F313-M317 PolarHBondContact O-N 2.78Å; R314-M317 PolarHBondContact O-N 3.41Å; N315-M317 VanDerWaalsContact C-N 3.31Å; N315-M317 PolarHBondContact O-N 3Å; M317-T319 PolarHBondContact O-N 3.28Å; M317-T320 WeakPolarHBondContact O-CB 3.48Å; M317-T320 PolarHBondContact O-N 3.42Å; M317-I321 HydrophobicContact CG-CD1 3.89Å; M317-I321 HydrophobicContact CG-CG1 4.47Å; M317-I321 WeakPolarHBondContact O-CG1 3.2Å; M317-I321 PolarHBondContact O-N 2.78Å
318L86Confident78.7Confident37 Ų3767.3 Ų67.319%0.19437%0.366CS..Hα-helixtrans-59.7-45.3174.9-72.9163.9000112.1R314 N315 T320 I321 C322 L328R314-L318 HydrophobicContact CG-CD1 4.22Å; R314-L318 WeakPolarHBondContact O-CG 3.38Å; R314-L318 PolarHBondContact O-N 2.61Å; N315-L318 PolarHBondContact O-N 3.29Å; L318-T320 PolarHBondContact O-N 3.49Å; L318-I321 PolarHBondContact O-N 3.23Å; L318-C322 VanDerWaalsContact O-CB 3.29Å; L318-C322 WeakPolarHBondContact O-CB 3.37Å; L318-C322 PolarHBondContact O-N 3.49Å; L318-L328 HydrophobicContact CD1-CB 4.2Å; L318-L328 HydrophobicContact CD1-CD1 3.64Å; L318-L328 HydrophobicContact CD1-CG 4.39Å; L318-L328 HydrophobicContact CD2-CD1 4.44Å
319T86.5Confident77.9Confident39 Ų3963.4 Ų63.424%0.23936%0.358CS..Hα-helixtrans-56.5-37.5174.1-55.70000111.9N315 C316 M317 C323 G324 K325N315-T319 PolarHBondContact O-N 2.95Å; N315-T319 PolarHBondContact O-OG1 2.85Å; C316-T319 PolarHBondContact O-N 3.12Å; M317-T319 PolarHBondContact O-N 3.28Å; T319-C323 PolarHBondContact O-N 2.97Å; T319-G324 PolarHBondContact O-N 2.88Å; T319-K325 WeakPolarHBondContact CA-O 3.3Å
320T86.8Confident76.9Confident30 Ų3068.4 Ų68.418%0.18439%0.386CS..Hα-helixtrans-72.4-46179.7-52.60000111.6Y60 V61 H65 C316 M317 L318 C322 C323Y60-T320 HydrophobicContact CD1-CG2 3.87Å; Y60-T320 HydrophobicContact CE1-CG2 3.59Å; V61-T320 HydrophobicContact CG2-CG2 4Å; H65-T320 PolarHBondContact NE2-OG1 3.08Å; C316-T320 PolarHBondContact O-N 3.05Å; C316-T320 PolarHBondContact O-OG1 2.72Å; M317-T320 WeakPolarHBondContact O-CB 3.48Å; M317-T320 PolarHBondContact O-N 3.42Å; L318-T320 PolarHBondContact O-N 3.49Å; T320-C322 VanDerWaalsContact C-N 3.3Å; T320-C322 PolarHBondContact O-N 3.25Å; T320-C323 PolarHBondContact O-N 3.45Å
321I87.3Confident75.3Confident101 Ų10174 Ų7452%0.51842%0.415SS..Hα-helixtrans-63.4-38.4178.3-65.2167.3000111L57 M317 L318 C323L57-I321 HydrophobicContact CD2-CD1 3.94Å; L57-I321 HydrophobicContact CD2-CG1 4Å; M317-I321 HydrophobicContact CG-CD1 3.89Å; M317-I321 HydrophobicContact CG-CG1 4.47Å; M317-I321 WeakPolarHBondContact O-CG1 3.2Å; M317-I321 PolarHBondContact O-N 2.78Å; L318-I321 PolarHBondContact O-N 3.23Å; I321-C323 VanDerWaalsContact C-N 3.28Å; I321-C323 PolarHBondContact O-N 3.29Å
322C87.4Confident73.9Confident47 Ų4775.3 Ų75.332%0.31842%0.423SS..THydrogen-bonded Turntrans-91.621.8-178.8-64.80000113.3L318 T320 G324 K325L318-C322 VanDerWaalsContact O-CB 3.29Å; L318-C322 WeakPolarHBondContact O-CB 3.37Å; L318-C322 PolarHBondContact O-N 3.49Å; T320-C322 VanDerWaalsContact C-N 3.3Å; T320-C322 PolarHBondContact O-N 3.25Å; C322-G324 VanDerWaalsContact C-N 3.3Å; C322-G324 PolarHBondContact O-N 3.5Å; C322-K325 HydrophobicContact CB-CB 4.27Å; C322-K325 WeakPolarHBondContact CB-O 3.15Å; C322-K325 PolarHBondContact O-N 3.24Å; C322-K325 VanDerWaalsContact O-N 3.16Å
323C85.1Confident72.1Confident123 Ų12376.2 Ų76.283%0.83144%0.439SS*.THydrogen-bonded Turntrans50.544173.9-59.40000114.1T319 T320 I321T319-C323 PolarHBondContact O-N 2.97Å; T320-C323 PolarHBondContact O-N 3.45Å; I321-C323 VanDerWaalsContact C-N 3.28Å; I321-C323 PolarHBondContact O-N 3.29Å
324G73.9Confident70.1Confident59 Ų5980.6 Ų80.661%0.60847%0.47SS*.THydrogen-bonded Turntrans101.1-5.217700000115.4T319 C322T319-G324 PolarHBondContact O-N 2.88Å; C322-G324 VanDerWaalsContact C-N 3.3Å; C322-G324 PolarHBondContact O-N 3.5Å
325K74.3Confident68Low163 Ų16378.9 Ų78.971%0.70948%0.476SS*.  trans-97.6138.7175.1-60.8179.6-177.2177.30110.2T319 C322 P327T319-K325 WeakPolarHBondContact CA-O 3.3Å; C322-K325 HydrophobicContact CB-CB 4.27Å; C322-K325 WeakPolarHBondContact CB-O 3.15Å; C322-K325 PolarHBondContact O-N 3.24Å; C322-K325 VanDerWaalsContact O-N 3.16Å; K325-P327 WeakPolarHBondContact O-CD 3.22Å
326N69.6Low65.6Low54 Ų5481.2 Ų81.229%0.28949%0.492SS..  trans-110.895.7170.7-170.87.3000110L328 G329N326-L328 PolarHBondContact O-N 3.2Å; N326-L328 PolarHBondContact OD1-N 3.21Å; N326-G329 PolarHBondContact O-N 3.02Å
327P61.5Low63.3Low93 Ų9383.4 Ų83.460%0.60451%0.505SS*.THydrogen-bonded Turntrans-69.4-10.8-175.827.2-33.6000114.1K325K325-P327 WeakPolarHBondContact O-CD 3.22Å
328L66.4Low61Low119 Ų11985.9 Ų85.962%0.62352%0.524SS*.THydrogen-bonded Turntrans-11413.8179.4-68.3172.3000112.6L318 N326 D330L318-L328 HydrophobicContact CD1-CB 4.2Å; L318-L328 HydrophobicContact CD1-CD1 3.64Å; L318-L328 HydrophobicContact CD1-CG 4.39Å; L318-L328 HydrophobicContact CD2-CD1 4.44Å; N326-L328 PolarHBondContact O-N 3.2Å; N326-L328 PolarHBondContact OD1-N 3.21Å; L328-D330 PolarHBondContact O-N 2.87Å
329G56.3Low58.6Low41 Ų4189.7 Ų89.742%0.42354%0.539SS..  trans-7491.3-179.200000112.1N326N326-G329 PolarHBondContact O-N 3.02Å
330D47.1Very low56.1Low156 Ų15690.9 Ų90.983%0.83455%0.546SS*.  trans-62135.9142.5-70.1-28.8000107.3L328L328-D330 PolarHBondContact O-N 2.87Å
331D43Very low53.6Low148 Ų14893.5 Ų93.579%0.79156%0.556SS**  trans-42.4144-169.7-74.3-50.2000115A333D331-A333 PolarHBondContact O-N 3.38Å
332E45.1Very low51Low141 Ų14192.5 Ų92.566%0.65956%0.555SS**THydrogen-bonded Turntrans-49.4-3.1179.7-105.3-173.3141.600116K67 S334 A335K67-E332 IonicContact NZ-OE1 3.48Å; K67-E332 PolarHBondContact NZ-OE1 2.98Å; E332-S334 VanDerWaalsContact C-N 3.31Å; E332-S334 PolarHBondContact O-N 2.89Å; E332-A335 PolarHBondContact O-N 3.4Å
333A40.6Very low48.5Very low70 Ų7093.7 Ų93.758%0.57956%0.564SS**Hα-helixtrans-61-30.6179.300000113.9D331 V337D331-A333 PolarHBondContact O-N 3.38Å; A333-V337 WeakPolarHBondContact O-CG2 3.41Å
334S38.6Very low46Very low94 Ų9494.3 Ų94.366%0.65756%0.555SS**Hα-helixtrans-82-19.7-178.2-78.40000115.2E332 V337 S338E332-S334 VanDerWaalsContact C-N 3.31Å; E332-S334 PolarHBondContact O-N 2.89Å; S334-V337 PolarHBondContact O-N 2.89Å; S334-S338 PolarHBondContact O-N 3.17Å; S334-S338 VanDerWaalsContact O-N 3.11Å
335A39.8Very low44.2Very low57 Ų5793.6 Ų93.647%0.47154%0.539SS..Hα-helixtrans-76.9-31.4-17800000112.5E332 V337E332-A335 PolarHBondContact O-N 3.4Å; A335-V337 VanDerWaalsContact C-N 3.33Å
336T33.6Very low42.4Very low101 Ų10187.9 Ų87.962%0.6252%0.522SS*.Hα-helixtrans-73.1-30.1172.4-28.70000111.3T340T336-T340 PolarHBondContact O-OG1 3.38Å
337V35.8Very low40.7Very low60 Ų6089.6 Ų89.636%0.36454%0.535SS..Hα-helixtrans-72.9-42.7178.5174.70000111.2A333 S334 A335 K339 T340 E341A333-V337 WeakPolarHBondContact O-CG2 3.41Å; S334-V337 PolarHBondContact O-N 2.89Å; A335-V337 VanDerWaalsContact C-N 3.33Å; V337-K339 PolarHBondContact O-N 3.36Å; V337-T340 PolarHBondContact O-N 2.88Å; V337-E341 HydrophobicContact CG1-CG 3.72Å; V337-E341 WeakPolarHBondContact CG1-OE1 3.42Å; V337-E341 WeakPolarHBondContact CG1-OE2 3.46Å; V337-E341 WeakPolarHBondContact O-CB 3.37Å; V337-E341 WeakPolarHBondContact O-CG 3.43Å; V337-E341 PolarHBondContact O-N 3.17Å
338S35.9Very low39.4Very low70 Ų7093.6 Ų93.649%0.4958%0.576SS.*Hα-helixtrans-68.1-32.6-178.3-175.50000114.9S334 T340 T342S334-S338 PolarHBondContact O-N 3.17Å; S334-S338 VanDerWaalsContact O-N 3.11Å; S338-T340 PolarHBondContact O-N 3.31Å; S338-T342 PolarHBondContact O-OG1 3.27Å
339K36Very low38.1Very low118 Ų11892.3 Ų92.351%0.51357%0.574SS.*Hα-helixtrans-67.2-21.9172.6-87.1-174.1177.1-179.50113.1V337V337-K339 PolarHBondContact O-N 3.36Å
340T33.2Very low37.1Very low63 Ų6395 Ų9539%0.38758%0.582SS.*Hα-helixtrans-103.1-37.8-174-43.40000111.2T336 V337 S338 S343 Q344T336-T340 PolarHBondContact O-OG1 3.38Å; V337-T340 PolarHBondContact O-N 2.88Å; S338-T340 PolarHBondContact O-N 3.31Å; T340-S343 PolarHBondContact O-N 3.06Å; T340-Q344 HydrophobicContact CG2-CG 4.3Å; T340-Q344 VanDerWaalsContact CG2-NE2 3.33Å; T340-Q344 WeakPolarHBondContact O-CB 3.41Å; T340-Q344 WeakPolarHBondContact O-CG 3.36Å; T340-Q344 PolarHBondContact O-N 2.62Å
341E34.3Very low36.6Very low85 Ų8591.6 Ų91.640%0.39757%0.568SS.*Hα-helixtrans-69.9-37.6-177.4-76.1-176.4160.700114V337 S343 Q344V337-E341 HydrophobicContact CG1-CG 3.72Å; V337-E341 WeakPolarHBondContact CG1-OE1 3.42Å; V337-E341 WeakPolarHBondContact CG1-OE2 3.46Å; V337-E341 WeakPolarHBondContact O-CB 3.37Å; V337-E341 WeakPolarHBondContact O-CG 3.43Å; V337-E341 PolarHBondContact O-N 3.17Å; E341-S343 VanDerWaalsContact C-N 3.34Å; E341-S343 PolarHBondContact O-N 2.85Å; E341-Q344 PolarHBondContact O-N 3.3Å
342T33.7Very low36.2Very low80 Ų8088.3 Ų88.349%0.49156%0.555SS.*Hα-helixtrans-77.8-18.5178.646.30000113.7S338S338-T342 PolarHBondContact O-OG1 3.27Å
343S34.3Very low35.6Very low72 Ų7285 Ų8550%0.50355%0.548SS..Hα-helixtrans-89.3-14173.2-77.60000113.6T340 E341T340-S343 PolarHBondContact O-N 3.06Å; E341-S343 VanDerWaalsContact C-N 3.34Å; E341-S343 PolarHBondContact O-N 2.85Å
344Q33.6Very low35.3Very low137 Ų13786 Ų8664%0.6455%0.546SS*.Hα-helixtrans-96.8-5.6-175-79.9-177.2-12.200114.9T340 E341 A346T340-Q344 HydrophobicContact CG2-CG 4.3Å; T340-Q344 VanDerWaalsContact CG2-NE2 3.33Å; T340-Q344 WeakPolarHBondContact O-CB 3.41Å; T340-Q344 WeakPolarHBondContact O-CG 3.36Å; T340-Q344 PolarHBondContact O-N 2.62Å; E341-Q344 PolarHBondContact O-N 3.3Å; Q344-A346 PolarHBondContact O-N 3.24Å
345V36.4Very low35.1Very low44 Ų4485.4 Ų85.427%0.26754%0.538SS..  trans-81.269.9167.2-165.60000108.4A233 T243A233-V345 HydrophobicContact CB-CG1 4.01Å; T243-V345 HydrophobicContact CG2-CG1 3.8Å; T243-V345 HydrophobicContact CG2-CG2 4.26Å
346A34.7Very low34.7Very low43 Ų4387.6 Ų87.636%0.35554%0.544SS..  trans-100.2134.7159.400000107Q344 A348Q344-A346 PolarHBondContact O-N 3.24Å; A346-A348 PolarHBondContact O-N 3.47Å
347P35.4Very low34.8Very low89 Ų8986.5 Ų86.558%0.57854%0.537SS*.  trans-60.6137.6162.724.1-25.1000108
348A34.2Very low34.7Very low177 Ų17788.9 Ų88.9100%1.46355%0.553SS**  trans-61.90173.700000111.3A346A346-A348 PolarHBondContact O-N 3.47Å

Retrieved 348 of 348 residues in 139.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).