A0A077Z5Z4_TRITR Loading...

DUF927 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5Z4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 314 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
1M47.3Very low56.5Low146 Ų14688.7 Ų88.772%0.71954%0.537SS*.  0125.90-170.1-173.9-5100107.3V46 A47 I48M1-V46 PolarHBondContact N-O 3.49Å; M1-A47 WeakPolarHBondContact O-CA 3.39Å; M1-I48 PolarHBondContact O-N 3.46Å; M1-I48 VanDerWaalsContact O-N 3.16Å
2P54.2Low57.4Low105 Ų10583.5 Ų83.568%0.68251%0.507SS*.EExtended strand (participates in β ladder)trans-7313517629.6-31.6000110.1I48P2-I48 CarbonylContact C-O 3.38Å; P2-I48 VanDerWaalsContact CA-O 3.31Å; P2-I48 WeakPolarHBondContact CA-O 3.31Å
3L59.2Low58.4Low72 Ų7281.6 Ų81.638%0.37749%0.491SS..EExtended strand (participates in β ladder)trans-111.793.8164.4-68.5171.3000106.1V6 L22 A47 I48 S49L3-V6 HydrophobicContact CB-CG2 3.71Å; L3-L22 HydrophobicContact CD1-CD2 3.86Å; L3-A47 HydrophobicContact CD1-CB 4.23Å; L3-I48 PolarHBondContact N-O 3.42Å; L3-S49 VanDerWaalsContact O-CA 3.27Å; L3-S49 WeakPolarHBondContact O-CA 3.26Å; L3-S49 PolarHBondContact O-OG 3.26Å; L3-S49 VanDerWaalsContact O-OG 3.09Å
4D58.1Low59.5Low115 Ų11579.9 Ų79.962%0.61548%0.484SS*.  trans-82.2141.8-179.2-120.5-4.3000110.7V6 T50D4-V6 PolarHBondContact O-N 3.47Å; D4-T50 PolarHBondContact OD1-OG1 3.28Å
5E58.2Low60.2Low108 Ų10875.5 Ų75.551%0.50546%0.458SS..  trans56.640.8169.6-55.7-173.5160.200115.2G7 Q8E5-G7 PolarHBondContact O-N 2.98Å; E5-Q8 HydrophobicContact CB-CB 4.21Å; E5-Q8 HydrophobicContact CB-CG 4.18Å; E5-Q8 PolarHBondContact O-N 2.87Å
6V55.3Low60.7Low38 Ų3872.1 Ų72.123%0.2344%0.439CS..THydrogen-bonded Turntrans-56.7-20.7179.9-178.10000112.9L3 D4 V15 S49L3-V6 HydrophobicContact CB-CG2 3.71Å; D4-V6 PolarHBondContact O-N 3.47Å; V6-V15 HydrophobicContact CG1-CB 4.15Å; V6-V15 HydrophobicContact CG1-CG1 3.24Å; V6-V15 HydrophobicContact CG1-CG2 3.78Å; V6-S49 WeakPolarHBondContact CG2-OG 3.42Å
7G50.9Low61.5Low44 Ų4474.4 Ų74.445%0.45444%0.443SS..THydrogen-bonded Turntrans-80.4-13.4173.800000116.2E5 G9E5-G7 PolarHBondContact O-N 2.98Å; G7-G9 PolarHBondContact O-N 3.35Å
8Q50.8Low62.2Low140 Ų14074.4 Ų74.465%0.65445%0.448SS*.SBendtrans-93.5101.6-176.2-67.5-160.221.100111.7E5 A10E5-Q8 HydrophobicContact CB-CB 4.21Å; E5-Q8 HydrophobicContact CB-CG 4.18Å; E5-Q8 PolarHBondContact O-N 2.87Å; Q8-A10 VanDerWaalsContact C-N 3.33Å; Q8-A10 PolarHBondContact O-N 3.49Å
9G52.3Low62.6Low88 Ų8871.5 Ų71.591%0.90743%0.432SS*.SBendtrans80.7-2.716500000116.9G7G7-G9 PolarHBondContact O-N 3.35Å
10A62.5Low62.9Low43 Ų4372.8 Ų72.836%0.35543%0.43SS..SBendtrans-87.3139.8174.600000111.5Q8 P12 V15Q8-A10 VanDerWaalsContact C-N 3.33Å; Q8-A10 PolarHBondContact O-N 3.49Å; A10-P12 WeakPolarHBondContact O-CD 3.45Å; A10-V15 HydrophobicContact CB-CG2 3.51Å
11D72.7Confident63.4Low77 Ų7771.2 Ų71.241%0.41243%0.425SS..  trans-57.6121.4171.3160.946000109.9I13 S14 V15D11-I13 PolarHBondContact O-N 3.47Å; D11-I13 VanDerWaalsContact O-N 3.12Å; D11-I13 PolarHBondContact OD1-N 3.43Å; D11-I13 WeakPolarHBondContact OD2-CB 3.47Å; D11-S14 WeakPolarHBondContact O-CA 3.36Å; D11-S14 WeakPolarHBondContact O-CB 3.26Å; D11-S14 PolarHBondContact O-N 3.31Å; D11-S14 WeakPolarHBondContact OD2-CB 3.32Å; D11-S14 PolarHBondContact OD2-N 2.98Å; D11-S14 PolarHBondContact OD2-OG 3.4Å; D11-V15 PolarHBondContact O-N 2.9Å
12P67.8Low64.8Low26 Ų2666.1 Ų66.117%0.16940%0.4CS..Hα-helixtrans-57.9-30-176.4-27.336.1000113.7A10 S16 F58 A62A10-P12 WeakPolarHBondContact O-CD 3.45Å; P12-S16 WeakPolarHBondContact O-CB 3.33Å; P12-S16 PolarHBondContact O-N 2.91Å; P12-F58 HydrophobicContact CB-CD1 4.02Å; P12-F58 HydrophobicContact CB-CE1 3.73Å; P12-F58 HydrophobicContact CB-CZ 4.11Å; P12-F58 HydrophobicContact CG-CD1 4.44Å; P12-F58 HydrophobicContact CG-CE1 3.9Å; P12-F58 HydrophobicContact CG-CE2 4.12Å; P12-F58 HydrophobicContact CG-CZ 3.73Å; P12-A62 HydrophobicContact CB-CB 3.73Å; P12-A62 HydrophobicContact CG-CB 3.91Å
13I69.3Low65.7Low59 Ų5964 Ų6430%0.30338%0.38SS..Hα-helixtrans-67.5-48.4176.1-60.9174.5000110D11 V15 S16 Q17D11-I13 PolarHBondContact O-N 3.47Å; D11-I13 VanDerWaalsContact O-N 3.12Å; D11-I13 PolarHBondContact OD1-N 3.43Å; D11-I13 WeakPolarHBondContact OD2-CB 3.47Å; I13-V15 VanDerWaalsContact C-N 3.31Å; I13-V15 PolarHBondContact O-N 3.25Å; I13-S16 PolarHBondContact O-N 3.33Å; I13-Q17 WeakPolarHBondContact O-CG 3.25Å; I13-Q17 PolarHBondContact O-N 3.41Å
14S74.3Confident66.5Low57 Ų5763.7 Ų63.740%0.39938%0.379SS..Hα-helixtrans-61.1-39.3177.1-64.30000112.2D11 S18D11-S14 WeakPolarHBondContact O-CA 3.36Å; D11-S14 WeakPolarHBondContact O-CB 3.26Å; D11-S14 PolarHBondContact O-N 3.31Å; D11-S14 WeakPolarHBondContact OD2-CB 3.32Å; D11-S14 PolarHBondContact OD2-N 2.98Å; D11-S14 PolarHBondContact OD2-OG 3.4Å; S14-S18 WeakPolarHBondContact O-CB 3.46Å; S14-S18 PolarHBondContact O-N 3.38Å; S14-S18 PolarHBondContact O-OG 3.03Å
15V70.4Confident67.4Low15 Ų1558.6 Ų58.69%0.09135%0.354CS..Hα-helixtrans-60.9-51.6172.81660000111.3V6 A10 D11 I13 Q17 S18 A19 L55 F58V6-V15 HydrophobicContact CG1-CB 4.15Å; V6-V15 HydrophobicContact CG1-CG1 3.24Å; V6-V15 HydrophobicContact CG1-CG2 3.78Å; A10-V15 HydrophobicContact CB-CG2 3.51Å; D11-V15 PolarHBondContact O-N 2.9Å; I13-V15 VanDerWaalsContact C-N 3.31Å; I13-V15 PolarHBondContact O-N 3.25Å; V15-Q17 VanDerWaalsContact C-N 3.33Å; V15-Q17 PolarHBondContact O-N 2.96Å; V15-S18 PolarHBondContact O-N 3.22Å; V15-S18 VanDerWaalsContact O-N 3.15Å; V15-A19 WeakPolarHBondContact O-CB 3.46Å; V15-A19 PolarHBondContact O-N 3.28Å; V15-L55 HydrophobicContact CG1-CD1 3.94Å; V15-F58 HydrophobicContact CB-CE1 3.95Å; V15-F58 HydrophobicContact CG1-CD1 4.28Å; V15-F58 HydrophobicContact CG1-CE1 4.01Å; V15-F58 HydrophobicContact CG2-CE1 3.91Å
16S68.1Low68.2Low21 Ų2155.8 Ų55.815%0.14734%0.344CS..Hα-helixtrans-57.8-45.5179.7-176.90000112P12 I13 Y20 I59P12-S16 WeakPolarHBondContact O-CB 3.33Å; P12-S16 PolarHBondContact O-N 2.91Å; I13-S16 PolarHBondContact O-N 3.33Å; S16-Y20 WeakPolarHBondContact O-CB 3.41Å; S16-Y20 PolarHBondContact O-N 3.38Å; S16-I59 WeakPolarHBondContact OG-CD1 3.49Å
17Q73.8Confident69Low111 Ų11154.9 Ų54.952%0.51934%0.342SS..Hα-helixtrans-65.7-38.9177.5-71.1-177.39.300112.3I13 V15 Y20 A21I13-Q17 WeakPolarHBondContact O-CG 3.25Å; I13-Q17 PolarHBondContact O-N 3.41Å; V15-Q17 VanDerWaalsContact C-N 3.33Å; V15-Q17 PolarHBondContact O-N 2.96Å; Q17-Y20 PolarHBondContact O-N 3.29Å; Q17-A21 WeakPolarHBondContact O-CB 3.41Å; Q17-A21 PolarHBondContact O-N 3.14Å
18S75.1Confident69.9Low75 Ų7561.3 Ų61.352%0.52436%0.358SS..Hα-helixtrans-70.3-43.8-179.7-60.80000111.3S14 V15 Y20 A21 L22S14-S18 WeakPolarHBondContact O-CB 3.46Å; S14-S18 PolarHBondContact O-N 3.38Å; S14-S18 PolarHBondContact O-OG 3.03Å; V15-S18 PolarHBondContact O-N 3.22Å; V15-S18 VanDerWaalsContact O-N 3.15Å; S18-Y20 VanDerWaalsContact C-N 3.29Å; S18-Y20 PolarHBondContact O-N 3.47Å; S18-A21 PolarHBondContact O-N 3.11Å; S18-L22 VanDerWaalsContact O-CB 3.23Å; S18-L22 WeakPolarHBondContact O-CB 3.42Å; S18-L22 PolarHBondContact O-N 3.49Å
19A69.9Low70.7Confident18 Ų1859.7 Ų59.715%0.14935%0.353CS..Hα-helixtrans-56.6-4617100000110.4V15 A21 L22 F23V15-A19 WeakPolarHBondContact O-CB 3.46Å; V15-A19 PolarHBondContact O-N 3.28Å; A19-A21 PolarHBondContact O-N 3.16Å; A19-L22 WeakPolarHBondContact O-CB 3.31Å; A19-L22 PolarHBondContact O-N 3.15Å; A19-F23 HydrophobicContact CB-CE2 4.36Å; A19-F23 WeakPolarHBondContact O-CD2 3.42Å; A19-F23 PolarHBondContact O-N 3.15Å; A19-F23 VanDerWaalsContact O-N 3.08Å
20Y68.2Low71.3Confident98 Ų9861 Ų6138%0.38434%0.335SS..Hα-helixtrans-60.9-45.8178.1-164.1-103.3000112.8S16 Q17 S18 N24 Q70 R73S16-Y20 WeakPolarHBondContact O-CB 3.41Å; S16-Y20 PolarHBondContact O-N 3.38Å; Q17-Y20 PolarHBondContact O-N 3.29Å; S18-Y20 VanDerWaalsContact C-N 3.29Å; S18-Y20 PolarHBondContact O-N 3.47Å; Y20-N24 WeakPolarHBondContact CD1-ND2 3.33Å; Y20-N24 WeakPolarHBondContact CE1-ND2 3.3Å; Y20-N24 WeakPolarHBondContact O-CB 3.27Å; Y20-N24 PolarHBondContact O-N 2.85Å; Y20-N24 PolarHBondContact O-ND2 2.61Å; Y20-Q70 HydrophobicContact CD2-CG 3.89Å; Y20-Q70 HydrophobicContact CE2-CG 3.98Å; Y20-R73 VanDerWaalsContact CZ-NH1 3.32Å; Y20-R73 PolarHBondContact OH-NH1 3Å; Y20-R73 VanDerWaalsContact OH-NH1 3.11Å
21A74Confident71.3Confident39 Ų3961.6 Ų61.632%0.32235%0.346SS..Hα-helixtrans-64.5-41.5177.200000112Q17 S18 A19 F23 N24 G25Q17-A21 WeakPolarHBondContact O-CB 3.41Å; Q17-A21 PolarHBondContact O-N 3.14Å; S18-A21 PolarHBondContact O-N 3.11Å; A19-A21 PolarHBondContact O-N 3.16Å; A21-F23 PolarHBondContact O-N 3.16Å; A21-N24 PolarHBondContact O-N 2.86Å; A21-G25 PolarHBondContact O-N 3.44Å
22L76.8Confident71.1Confident40 Ų4059.6 Ų59.621%0.20934%0.34CS..Hα-helixtrans-57.7-47.8178.7-173.367.8000111.2L3 S18 A19 G25 W43 T45 A47L3-L22 HydrophobicContact CD1-CD2 3.86Å; S18-L22 VanDerWaalsContact O-CB 3.23Å; S18-L22 WeakPolarHBondContact O-CB 3.42Å; S18-L22 PolarHBondContact O-N 3.49Å; A19-L22 WeakPolarHBondContact O-CB 3.31Å; A19-L22 PolarHBondContact O-N 3.15Å; L22-G25 PolarHBondContact O-N 2.66Å; L22-W43 PolarHBondContact O-NE1 3.3Å; L22-T45 HydrophobicContact CD1-CG2 3.76Å; L22-T45 HydrophobicContact CG-CG2 4.03Å; L22-A47 HydrophobicContact CD2-CB 3.55Å
23F73Confident70.8Confident59 Ų5968.6 Ų68.626%0.25938%0.377SS..Hα-helixtrans-79-24.9-178.8-65.1-58.6000114.3A19 A21 G25 A47 R73 L74A19-F23 HydrophobicContact CB-CE2 4.36Å; A19-F23 WeakPolarHBondContact O-CD2 3.42Å; A19-F23 PolarHBondContact O-N 3.15Å; A19-F23 VanDerWaalsContact O-N 3.08Å; A21-F23 PolarHBondContact O-N 3.16Å; F23-G25 PolarHBondContact O-N 3.21Å; F23-A47 HydrophobicContact CE1-CB 4.3Å; F23-A47 HydrophobicContact CZ-CB 4.24Å; F23-R73 HydrophobicContact CB-CB 4.46Å; F23-R73 HydrophobicContact CD2-CB 4.4Å; F23-L74 HydrophobicContact CE2-CB 3.8Å; F23-L74 HydrophobicContact CE2-CD1 3.64Å; F23-L74 HydrophobicContact CE2-CG 4.26Å; F23-L74 HydrophobicContact CZ-CB 4.29Å; F23-L74 HydrophobicContact CZ-CD1 3.44Å; F23-L74 VanDerWaalsContact CZ-CD1 3.44Å; F23-L74 HydrophobicContact CZ-CG 4.45Å
24N75.9Confident71Confident67 Ų6775.3 Ų75.336%0.35841%0.407SS..Hα-helixtrans-71.6-20.6171.9-72.3-17.2000112.4Y20 A21 V26 R73Y20-N24 WeakPolarHBondContact CD1-ND2 3.33Å; Y20-N24 WeakPolarHBondContact CE1-ND2 3.3Å; Y20-N24 WeakPolarHBondContact O-CB 3.27Å; Y20-N24 PolarHBondContact O-N 2.85Å; Y20-N24 PolarHBondContact O-ND2 2.61Å; A21-N24 PolarHBondContact O-N 2.86Å; N24-V26 VanDerWaalsContact C-N 3.28Å; N24-V26 PolarHBondContact O-N 3.15Å; N24-R73 PolarHBondContact OD1-NH1 2.96Å
25G76.6Confident70.6Confident8 Ų875.3 Ų75.38%0.08242%0.416CS..THydrogen-bonded Turntrans72.621.2175.300000114A21 L22 F23 R42 W43A21-G25 PolarHBondContact O-N 3.44Å; L22-G25 PolarHBondContact O-N 2.66Å; F23-G25 PolarHBondContact O-N 3.21Å; G25-R42 CarbonylContact O-C 3.52Å; G25-R42 WeakPolarHBondContact O-CA 3.44Å; G25-W43 WeakPolarHBondContact CA-O 3.48Å; G25-W43 PolarHBondContact O-N 3.31Å
26V74.1Confident70.7Confident48 Ų4877.3 Ų77.329%0.29144%0.44SS..BIsolated β-bridgetrans-138.4125.3-172.7-179.80000110.2N24 L40 R42N24-V26 VanDerWaalsContact C-N 3.28Å; N24-V26 PolarHBondContact O-N 3.15Å; V26-L40 HydrophobicContact CG1-CD1 4.2Å; V26-L40 HydrophobicContact CG1-CD2 3.34Å; V26-L40 HydrophobicContact CG1-CG 3.76Å; V26-R42 HydrophobicContact CG2-CG 4.46Å
27G73.2Confident71Confident19 Ų1981.8 Ų81.820%0.19646%0.462CS..PPolyproline II helixtrans-70.2161.9173.600000113L40 K41 W43G27-L40 WeakPolarHBondContact O-CD1 3.49Å; G27-K41 PolarHBondContact N-O 3.37Å; G27-W43 VanDerWaalsContact N-CH2 3.32Å
28K70Confident70.9Confident179 Ų17983.6 Ų83.678%0.77846%0.464SS*.PPolyproline II helixtrans-67.3135.1171.7-76.4-176.1178.91760109.9Q30K28-Q30 PolarHBondContact O-N 3.01Å
29L66.1Low70.9Confident107 Ų10787.8 Ų87.856%0.5648%0.48SS*.PPolyproline II helixtrans-62.5124.6171.4-123.2125.1000108.8N37 L40L29-N37 HydrophobicContact CD2-CB 3.54Å; L29-N37 WeakPolarHBondContact CD2-ND2 3.2Å; L29-N37 WeakPolarHBondContact CD2-OD1 3.44Å; L29-L40 HydrophobicContact CB-CD1 4.14Å; L29-L40 HydrophobicContact CD1-CD1 3.6Å; L29-L40 HydrophobicContact CG-CD1 3.71Å
30Q65.2Low71.3Confident114 Ų11489.3 Ų89.353%0.53349%0.486SS..  trans-121.3136.5177.1-70.1-173.4-17.900109.2K28 R38K28-Q30 PolarHBondContact O-N 3.01Å; Q30-R38 WeakPolarHBondContact O-CB 3.46Å; Q30-R38 PolarHBondContact O-N 3.46Å
31G63Low71.9Confident57 Ų5792.7 Ų92.759%0.58850%0.503SS*.BIsolated β-bridgetrans-62.3140.1171.700000111.1
32A68.2Low72.5Confident34 Ų3499.7 Ų99.728%0.28152%0.521SS..  trans-78.7146.9171.100000110.1E34 G35 G36 R38A32-E34 PolarHBondContact O-N 3.16Å; A32-E34 VanDerWaalsContact O-N 3.16Å; A32-G35 PolarHBondContact O-N 3.03Å; A32-G35 VanDerWaalsContact O-N 3.16Å; A32-G36 PolarHBondContact N-O 2.91Å; A32-R38 HydrophobicContact CB-CG 4.14Å
33K62.5Low72.9Confident216 Ų216102.1 Ų102.194%0.93953%0.527SS*.THydrogen-bonded Turntrans-58.7-26.2179.5-98.3-172.5173.8-174.30113.3
34E73.2Confident73.4Confident199 Ų199111.2 Ų111.293%0.9356%0.56SS**THydrogen-bonded Turntrans-101.211.1-177.8-59.5-163.8168.500113.7A32A32-E34 PolarHBondContact O-N 3.16Å; A32-E34 VanDerWaalsContact O-N 3.16Å
35G64.8Low73.6Confident57 Ų57110.6 Ų110.659%0.58856%0.559SS**SBendtrans94.2151.2-174.400000112.7A32A32-G35 PolarHBondContact O-N 3.03Å; A32-G35 VanDerWaalsContact O-N 3.16Å
36G72.7Confident73.9Confident58 Ų58115.5 Ų115.560%0.59859%0.586SS**SBendtrans84.7-176.6-17000000113.7A32A32-G36 PolarHBondContact N-O 2.91Å
37N73.9Confident74.2Confident114 Ų114114 Ų11461%0.6158%0.579SS**BIsolated β-bridgetrans-102.1139.1178.9-70.1-37.5000110.1L29L29-N37 HydrophobicContact CD2-CB 3.54Å; L29-N37 WeakPolarHBondContact CD2-ND2 3.2Å; L29-N37 WeakPolarHBondContact CD2-OD1 3.44Å
38R71.8Confident74.6Confident150 Ų150118.5 Ų118.557%0.56660%0.598SS**PPolyproline II helixtrans-61.5152.6168.2-78.9179.8156.7175-5.1110.5Q30 A32 L40Q30-R38 WeakPolarHBondContact O-CB 3.46Å; Q30-R38 PolarHBondContact O-N 3.46Å; A32-R38 HydrophobicContact CB-CG 4.14Å; R38-L40 PolarHBondContact O-N 2.94Å
39D75.3Confident75.1Confident162 Ų162112.4 Ų112.487%0.86658%0.577SS**PPolyproline II helixtrans-53.3127.2171.7-92.4-21.4000111.3K41D39-K41 PolarHBondContact O-N 2.99Å
40L78.8Confident75.8Confident51 Ų51110.7 Ų110.727%0.26757%0.571SS.*  trans-75.2106.5-178.8-161.178.2000109V26 G27 L29 R38 R42V26-L40 HydrophobicContact CG1-CD1 4.2Å; V26-L40 HydrophobicContact CG1-CD2 3.34Å; V26-L40 HydrophobicContact CG1-CG 3.76Å; G27-L40 WeakPolarHBondContact O-CD1 3.49Å; L29-L40 HydrophobicContact CB-CD1 4.14Å; L29-L40 HydrophobicContact CD1-CD1 3.6Å; L29-L40 HydrophobicContact CG-CD1 3.71Å; R38-L40 PolarHBondContact O-N 2.94Å; L40-R42 PolarHBondContact O-N 3.37Å
41K81Confident76.3Confident169 Ų169108.1 Ų108.174%0.73558%0.576SS**  trans-64.1129.1175.5-65.1-160.2177.7-169.50110.2G27 D39 W43G27-K41 PolarHBondContact N-O 3.37Å; D39-K41 PolarHBondContact O-N 2.99Å; K41-W43 HydrophobicContact CB-CE3 4.48Å; K41-W43 HydrophobicContact CB-CZ3 4.2Å; K41-W43 WeakPolarHBondContact O-CZ3 3.46Å
42R85.4Confident76.9Confident186 Ų186115.7 Ų115.770%0.70260%0.596SS**BIsolated β-bridgetrans-120.5146.1177.3-63.3178.5-177.2-93.93110.4G25 V26 L40G25-R42 CarbonylContact O-C 3.52Å; G25-R42 WeakPolarHBondContact O-CA 3.44Å; V26-R42 HydrophobicContact CG2-CG 4.46Å; L40-R42 PolarHBondContact O-N 3.37Å
43W86.6Confident77.2Confident91 Ų91117.7 Ų117.735%0.34560%0.6SS.*  trans-146.4159.9176.355.788.7000111L22 G25 G27 K41L22-W43 PolarHBondContact O-NE1 3.3Å; G25-W43 WeakPolarHBondContact CA-O 3.48Å; G25-W43 PolarHBondContact O-N 3.31Å; G27-W43 VanDerWaalsContact N-CH2 3.32Å; K41-W43 HydrophobicContact CB-CE3 4.48Å; K41-W43 HydrophobicContact CB-CZ3 4.2Å; K41-W43 WeakPolarHBondContact O-CZ3 3.46Å
44R82.6Confident78Confident250 Ų250110.2 Ų110.294%0.94357%0.57SS**  trans-127.2123.8163.3-75.3-177.1176-177.2-1.2106.7
45T81.4Confident78.1Confident54 Ų54101.8 Ų101.833%0.33153%0.531SS..  trans-145.8154.4-176-162.20000110.9L22L22-T45 HydrophobicContact CD1-CG2 3.76Å; L22-T45 HydrophobicContact CG-CG2 4.03Å
46V81.9Confident78.7Confident110 Ų110101.7 Ų101.767%0.66752%0.516SS*.  trans-108.1126.1165.3-179.70000106.8M1M1-V46 PolarHBondContact N-O 3.49Å
47A79.7Confident79Confident16 Ų16101.8 Ų101.813%0.13251%0.505CS..  trans-110.1138.5174.800000108.9M1 L3 L22 F23M1-A47 WeakPolarHBondContact O-CA 3.39Å; L3-A47 HydrophobicContact CD1-CB 4.23Å; L22-A47 HydrophobicContact CD2-CB 3.55Å; F23-A47 HydrophobicContact CE1-CB 4.3Å; F23-A47 HydrophobicContact CZ-CB 4.24Å
48I83.3Confident79.2Confident115 Ų11597.3 Ų97.359%0.5948%0.48SS*.EExtended strand (participates in β ladder)trans-116.6127.1172.2-59.7174.3000105M1 P2 L3M1-I48 PolarHBondContact O-N 3.46Å; M1-I48 VanDerWaalsContact O-N 3.16Å; P2-I48 CarbonylContact C-O 3.38Å; P2-I48 VanDerWaalsContact CA-O 3.31Å; P2-I48 WeakPolarHBondContact CA-O 3.31Å; L3-I48 PolarHBondContact N-O 3.42Å
49S79.9Confident79.4Confident50 Ų5090.5 Ų90.535%0.3546%0.455SS..EExtended strand (participates in β ladder)trans-117.7142.8174.1-170.50000108.2L3 V6L3-S49 VanDerWaalsContact O-CA 3.27Å; L3-S49 WeakPolarHBondContact O-CA 3.26Å; L3-S49 PolarHBondContact O-OG 3.26Å; L3-S49 VanDerWaalsContact O-OG 3.09Å; V6-S49 WeakPolarHBondContact CG2-OG 3.42Å
50T80Confident79.6Confident72 Ų7285.4 Ų85.444%0.44244%0.435SS..  trans-114.5150168.581.20000109.1D4D4-T50 PolarHBondContact OD1-OG1 3.28Å
51G75.7Confident79.6Confident60 Ų6088.8 Ų88.862%0.61945%0.452SS*.  trans-179.1152.3-179.500000111.2M53G51-M53 VanDerWaalsContact C-N 3.25Å
52E75.7Confident79.4Confident216 Ų21682.7 Ų82.7100%1.00943%0.433SS*.SBendtrans-71.5-25.5176.6-62.4-171.6166.800112.4
53M76Confident78.9Confident75 Ų7577.2 Ų77.237%0.36944%0.435SS..SBendtrans-122.2136.3-176.5-173.6169.954.600109.9G51 T57 F58 I61G51-M53 VanDerWaalsContact C-N 3.25Å; M53-T57 HydrophobicContact CG-CG2 3.6Å; M53-T57 HydrophobicContact SD-CG2 3.36Å; M53-T57 WeakPolarHBondContact SD-CG2 3.18Å; M53-F58 HydrophobicContact CE-CB 3.77Å; M53-F58 HydrophobicContact CE-CD2 3.47Å; M53-F58 VanDerWaalsContact CE-CD2 3.47Å; M53-F58 HydrophobicContact CE-CG 4.09Å; M53-I61 HydrophobicContact CE-CD1 3.5Å; M53-I61 HydrophobicContact SD-CD1 3.31Å; M53-I61 WeakPolarHBondContact SD-CD1 3.48Å
54D79.4Confident78.2Confident59 Ų5980 Ų8032%0.31645%0.445SS..  trans-70161.1178.275.176.4000111.7E56 T57 F58 N76D54-E56 VanDerWaalsContact C-N 3.29Å; D54-E56 PolarHBondContact O-N 3.29Å; D54-E56 VanDerWaalsContact OD1-CA 3.31Å; D54-E56 WeakPolarHBondContact OD1-CA 3.5Å; D54-E56 WeakPolarHBondContact OD1-CB 3.35Å; D54-E56 PolarHBondContact OD1-N 2.81Å; D54-T57 PolarHBondContact O-N 2.83Å; D54-T57 PolarHBondContact OD1-N 3.02Å; D54-T57 PolarHBondContact OD1-OG1 2.96Å; D54-T57 WeakPolarHBondContact OD2-CB 3.41Å; D54-T57 PolarHBondContact OD2-OG1 3.37Å; D54-F58 WeakPolarHBondContact O-CB 3.27Å; D54-F58 PolarHBondContact O-N 2.97Å; D54-N76 HydrophobicContact CB-CB 4.18Å
55L73.9Confident77.7Confident22 Ų2274.7 Ų74.712%0.11543%0.429CS..Hα-helixtrans-62.4-33.7-176.6-179.564.7000113.3V15 I59 L74V15-L55 HydrophobicContact CG1-CD1 3.94Å; L55-I59 HydrophobicContact CD1-CD1 3.75Å; L55-I59 HydrophobicContact CD1-CG1 4.09Å; L55-I59 HydrophobicContact CD2-CD1 4.28Å; L55-I59 HydrophobicContact CG-CD1 3.72Å; L55-I59 HydrophobicContact CG-CG1 4.4Å; L55-I59 WeakPolarHBondContact O-CB 3.31Å; L55-I59 WeakPolarHBondContact O-CD1 3.39Å; L55-I59 VanDerWaalsContact O-CG1 3.23Å; L55-I59 WeakPolarHBondContact O-CG1 3.21Å; L55-I59 PolarHBondContact O-N 3.3Å; L55-L74 HydrophobicContact CB-CD2 4.04Å; L55-L74 HydrophobicContact CD2-CB 4.46Å; L55-L74 HydrophobicContact CD2-CD2 3.53Å; L55-L74 HydrophobicContact CG-CD2 4.28Å
56E77.2Confident77.1Confident55 Ų5572.4 Ų72.426%0.25742%0.415SS..Hα-helixtrans-66.7-49.6179.5173.3153.2-121.400110.1D54 F58 I59 A60 T66 L71D54-E56 VanDerWaalsContact C-N 3.29Å; D54-E56 PolarHBondContact O-N 3.29Å; D54-E56 VanDerWaalsContact OD1-CA 3.31Å; D54-E56 WeakPolarHBondContact OD1-CA 3.5Å; D54-E56 WeakPolarHBondContact OD1-CB 3.35Å; D54-E56 PolarHBondContact OD1-N 2.81Å; E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 2.87Å; E56-I59 PolarHBondContact O-N 3.5Å; E56-A60 WeakPolarHBondContact O-CB 3.46Å; E56-A60 PolarHBondContact O-N 3.02Å; E56-T66 WeakPolarHBondContact CG-OG1 3.08Å; E56-T66 PolarHBondContact OE1-OG1 3.27Å; E56-L71 HydrophobicContact CB-CD2 3.86Å; E56-L71 WeakPolarHBondContact OE1-CD1 3.35Å
57T79.7Confident76.5Confident61 Ų6174.7 Ų74.737%0.37442%0.416SS..Hα-helixtrans-62.3-41.1176.6-54.80000111.4M53 D54 I59 A60 I61M53-T57 HydrophobicContact CG-CG2 3.6Å; M53-T57 HydrophobicContact SD-CG2 3.36Å; M53-T57 WeakPolarHBondContact SD-CG2 3.18Å; D54-T57 PolarHBondContact O-N 2.83Å; D54-T57 PolarHBondContact OD1-N 3.02Å; D54-T57 PolarHBondContact OD1-OG1 2.96Å; D54-T57 WeakPolarHBondContact OD2-CB 3.41Å; D54-T57 PolarHBondContact OD2-OG1 3.37Å; T57-I59 PolarHBondContact O-N 3.11Å; T57-A60 WeakPolarHBondContact O-CB 3.5Å; T57-A60 PolarHBondContact O-N 3.49Å; T57-I61 WeakPolarHBondContact O-CG1 3.23Å; T57-I61 PolarHBondContact O-N 3.38Å; T57-I61 VanDerWaalsContact O-N 3.08Å
58F77.2Confident75.9Confident20 Ų2074.1 Ų74.19%0.08841%0.412CS..Hα-helixtrans-61.1-41.9176-174.4-118000113P12 V15 M53 D54 E56P12-F58 HydrophobicContact CB-CD1 4.02Å; P12-F58 HydrophobicContact CB-CE1 3.73Å; P12-F58 HydrophobicContact CB-CZ 4.11Å; P12-F58 HydrophobicContact CG-CD1 4.44Å; P12-F58 HydrophobicContact CG-CE1 3.9Å; P12-F58 HydrophobicContact CG-CE2 4.12Å; P12-F58 HydrophobicContact CG-CZ 3.73Å; V15-F58 HydrophobicContact CB-CE1 3.95Å; V15-F58 HydrophobicContact CG1-CD1 4.28Å; V15-F58 HydrophobicContact CG1-CE1 4.01Å; V15-F58 HydrophobicContact CG2-CE1 3.91Å; M53-F58 HydrophobicContact CE-CB 3.77Å; M53-F58 HydrophobicContact CE-CD2 3.47Å; M53-F58 VanDerWaalsContact CE-CD2 3.47Å; M53-F58 HydrophobicContact CE-CG 4.09Å; D54-F58 WeakPolarHBondContact O-CB 3.27Å; D54-F58 PolarHBondContact O-N 2.97Å; E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 2.87Å
59I76.6Confident75.3Confident7 Ų770.4 Ų70.44%0.03640%0.401CS..Hα-helixtrans-71.4-36.2177-70.3169.3000111S16 L55 E56 T57 I61 A62 R64 T66S16-I59 WeakPolarHBondContact OG-CD1 3.49Å; L55-I59 HydrophobicContact CD1-CD1 3.75Å; L55-I59 HydrophobicContact CD1-CG1 4.09Å; L55-I59 HydrophobicContact CD2-CD1 4.28Å; L55-I59 HydrophobicContact CG-CD1 3.72Å; L55-I59 HydrophobicContact CG-CG1 4.4Å; L55-I59 WeakPolarHBondContact O-CB 3.31Å; L55-I59 WeakPolarHBondContact O-CD1 3.39Å; L55-I59 VanDerWaalsContact O-CG1 3.23Å; L55-I59 WeakPolarHBondContact O-CG1 3.21Å; L55-I59 PolarHBondContact O-N 3.3Å; E56-I59 PolarHBondContact O-N 3.5Å; T57-I59 PolarHBondContact O-N 3.11Å; I59-I61 VanDerWaalsContact C-N 3.31Å; I59-I61 PolarHBondContact O-N 3.36Å; I59-A62 WeakPolarHBondContact O-CB 3.32Å; I59-A62 PolarHBondContact O-N 3.46Å; I59-A62 VanDerWaalsContact O-N 3.1Å; I59-R64 HydrophobicContact CG2-CB 3.54Å; I59-R64 PolarHBondContact O-N 3.34Å; I59-T66 HydrophobicContact CB-CG2 4.07Å; I59-T66 HydrophobicContact CD1-CG2 3.37Å; I59-T66 HydrophobicContact CG1-CG2 4.3Å; I59-T66 HydrophobicContact CG2-CG2 4.07Å
60A80.4Confident74.8Confident55 Ų5570.2 Ų70.246%0.45540%0.395SS..Hα-helixtrans-61.3-38.617800000112.2E56 T57 A62 G63 R64E56-A60 WeakPolarHBondContact O-CB 3.46Å; E56-A60 PolarHBondContact O-N 3.02Å; T57-A60 WeakPolarHBondContact O-CB 3.5Å; T57-A60 PolarHBondContact O-N 3.49Å; A60-A62 PolarHBondContact O-N 2.99Å; A60-G63 WeakPolarHBondContact O-CA 3.43Å; A60-G63 PolarHBondContact O-N 3.36Å; A60-R64 WeakPolarHBondContact CA-O 3.43Å
61I77.7Confident74.3Confident121 Ų12167.3 Ų67.362%0.62138%0.376SS*.Hα-helixtrans-58.8-30.3175.4-72.3163.8000112.1M53 T57 I59 G63M53-I61 HydrophobicContact CE-CD1 3.5Å; M53-I61 HydrophobicContact SD-CD1 3.31Å; M53-I61 WeakPolarHBondContact SD-CD1 3.48Å; T57-I61 WeakPolarHBondContact O-CG1 3.23Å; T57-I61 PolarHBondContact O-N 3.38Å; T57-I61 VanDerWaalsContact O-N 3.08Å; I59-I61 VanDerWaalsContact C-N 3.31Å; I59-I61 PolarHBondContact O-N 3.36Å; I61-G63 PolarHBondContact O-N 3.17Å
62A76.7Confident74.4Confident41 Ų4164.8 Ų64.834%0.33935%0.349SS..THydrogen-bonded Turntrans-81.19.9174.500000114P12 I59 A60 R64P12-A62 HydrophobicContact CB-CB 3.73Å; P12-A62 HydrophobicContact CG-CB 3.91Å; I59-A62 WeakPolarHBondContact O-CB 3.32Å; I59-A62 PolarHBondContact O-N 3.46Å; I59-A62 VanDerWaalsContact O-N 3.1Å; A60-A62 PolarHBondContact O-N 2.99Å; A62-R64 VanDerWaalsContact C-N 3.26Å; A62-R64 PolarHBondContact O-N 2.85Å
63G75.6Confident74.4Confident71 Ų7158.5 Ų58.573%0.73232%0.316SS*.THydrogen-bonded Turntrans68.623.9-177.500000113.5A60 I61A60-G63 WeakPolarHBondContact O-CA 3.43Å; A60-G63 PolarHBondContact O-N 3.36Å; I61-G63 PolarHBondContact O-N 3.17Å
64R72.5Confident74.5Confident149 Ų14956.5 Ų56.556%0.56231%0.307SS*.  trans-111.8150.1178.9-66.4-69.4-166.7-156.4-1.2110I59 A60 A62I59-R64 HydrophobicContact CG2-CB 3.54Å; I59-R64 PolarHBondContact O-N 3.34Å; A60-R64 WeakPolarHBondContact CA-O 3.43Å; A62-R64 VanDerWaalsContact C-N 3.26Å; A62-R64 PolarHBondContact O-N 2.85Å
65K70.3Confident74.8Confident139 Ų13955.4 Ų55.460%0.60430%0.301SS*.PPolyproline II helixtrans-101.7136.3170.1-68-169.5177.7-171.10110.1
66T68.8Low75.3Confident7 Ų756.9 Ų56.94%0.04331%0.309CS..PPolyproline II helixtrans-75139.1170.623.50000110.9E56 I59 L71E56-T66 WeakPolarHBondContact CG-OG1 3.08Å; E56-T66 PolarHBondContact OE1-OG1 3.27Å; I59-T66 HydrophobicContact CB-CG2 4.07Å; I59-T66 HydrophobicContact CD1-CG2 3.37Å; I59-T66 HydrophobicContact CG1-CG2 4.3Å; I59-T66 HydrophobicContact CG2-CG2 4.07Å; T66-L71 HydrophobicContact CG2-CD2 3.97Å
67K70Confident75.8Confident157 Ų15757.1 Ų57.168%0.68331%0.311SS*.PPolyproline II helixtrans-82.5138.1168.8-65.9-170177.6-1700109.1G69 Q70 L71K67-G69 PolarHBondContact O-N 3.3Å; K67-G69 VanDerWaalsContact O-N 3.11Å; K67-Q70 HydrophobicContact CB-CG 4.28Å; K67-Q70 WeakPolarHBondContact O-CA 3.32Å; K67-Q70 VanDerWaalsContact O-CB 3.29Å; K67-Q70 WeakPolarHBondContact O-CB 3.16Å; K67-Q70 PolarHBondContact O-N 3.02Å; K67-L71 PolarHBondContact O-N 3.43Å
68A68.4Low76.2Confident5 Ų556.8 Ų56.84%0.04131%0.31CS..Hα-helixtrans-58.2-31.6-177.800000113.9Q70 L71 V72 K195A68-Q70 PolarHBondContact O-N 3.44Å; A68-L71 PolarHBondContact O-N 3.36Å; A68-V72 PolarHBondContact O-N 3.27Å; A68-K195 HydrophobicContact CB-CB 3.8Å
69G69.8Low76.6Confident36 Ų3663.6 Ų63.637%0.37135%0.346SS..Hα-helixtrans-63.7-21.9172.500000114.8K67 V72K67-G69 PolarHBondContact O-N 3.3Å; K67-G69 VanDerWaalsContact O-N 3.11Å; G69-V72 WeakPolarHBondContact O-CG2 3.16Å
70Q69.8Low77Confident47 Ų4767.7 Ų67.722%0.2238%0.376CS..Hα-helixtrans-81.1-38.9172.8-61.5177.6-4600111.3Y20 K67 A68 V72 R73 L74Y20-Q70 HydrophobicContact CD2-CG 3.89Å; Y20-Q70 HydrophobicContact CE2-CG 3.98Å; K67-Q70 HydrophobicContact CB-CG 4.28Å; K67-Q70 WeakPolarHBondContact O-CA 3.32Å; K67-Q70 VanDerWaalsContact O-CB 3.29Å; K67-Q70 WeakPolarHBondContact O-CB 3.16Å; K67-Q70 PolarHBondContact O-N 3.02Å; A68-Q70 PolarHBondContact O-N 3.44Å; Q70-V72 VanDerWaalsContact C-N 3.31Å; Q70-V72 PolarHBondContact O-N 2.74Å; Q70-R73 WeakPolarHBondContact O-CA 3.19Å; Q70-R73 WeakPolarHBondContact O-CB 3.43Å; Q70-R73 PolarHBondContact O-N 2.85Å; Q70-L74 PolarHBondContact O-N 2.92Å
71L69.5Low77.3Confident10 Ų1074.4 Ų74.45%0.05240%0.395CS..Hα-helixtrans-62.7-37.6179.9-60.4177.2000112.1E56 T66 K67 A68 R73 L74 F190E56-L71 HydrophobicContact CB-CD2 3.86Å; E56-L71 WeakPolarHBondContact OE1-CD1 3.35Å; T66-L71 HydrophobicContact CG2-CD2 3.97Å; K67-L71 PolarHBondContact O-N 3.43Å; A68-L71 PolarHBondContact O-N 3.36Å; L71-R73 PolarHBondContact O-N 3.12Å; L71-L74 CarbonylContact O-C 3.53Å; L71-F190 HydrophobicContact CB-CE2 4.26Å
72V76.8Confident77.8Confident7 Ų771.7 Ų71.74%0.04239%0.391CS..THydrogen-bonded Turntrans-72-10175.4-61.30000113A68 G69 Q70 Q146 V150 R153 F190A68-V72 PolarHBondContact O-N 3.27Å; G69-V72 WeakPolarHBondContact O-CG2 3.16Å; Q70-V72 VanDerWaalsContact C-N 3.31Å; Q70-V72 PolarHBondContact O-N 2.74Å; V72-Q146 HydrophobicContact CG1-CB 3.59Å; V72-Q146 HydrophobicContact CG1-CG 3.81Å; V72-V150 HydrophobicContact CB-CG2 3.84Å; V72-V150 HydrophobicContact CG1-CG2 3.84Å; V72-R153 PolarHBondContact O-NE 2.68Å; V72-R153 VanDerWaalsContact O-NE 3.14Å; V72-R153 PolarHBondContact O-NH1 3.48Å; V72-R153 PolarHBondContact O-NH2 2.93Å; V72-F190 HydrophobicContact CG1-CZ 4.21Å
73R75.7Confident78.5Confident84 Ų8476 Ų7632%0.31741%0.412SS..THydrogen-bonded Turntrans-88.9-32.3178.9-74.2-177179.6148.66.3113.9Y20 F23 N24 Q70 L71 R153Y20-R73 VanDerWaalsContact CZ-NH1 3.32Å; Y20-R73 PolarHBondContact OH-NH1 3Å; Y20-R73 VanDerWaalsContact OH-NH1 3.11Å; F23-R73 HydrophobicContact CB-CB 4.46Å; F23-R73 HydrophobicContact CD2-CB 4.4Å; N24-R73 PolarHBondContact OD1-NH1 2.96Å; Q70-R73 WeakPolarHBondContact O-CA 3.19Å; Q70-R73 WeakPolarHBondContact O-CB 3.43Å; Q70-R73 PolarHBondContact O-N 2.85Å; L71-R73 PolarHBondContact O-N 3.12Å; R73-R153 VanDerWaalsContact C-NH1 3.28Å; R73-R153 VanDerWaalsContact CA-NH1 3.27Å; R73-R153 PolarHBondContact O-NH1 3.26Å
74L79.6Confident79.3Confident34 Ų3482.1 Ų82.118%0.17841%0.413CS..SBendtrans-118.4102.7172.3-177.173.9000108F23 L55 Q70 L71 N76F23-L74 HydrophobicContact CE2-CB 3.8Å; F23-L74 HydrophobicContact CE2-CD1 3.64Å; F23-L74 HydrophobicContact CE2-CG 4.26Å; F23-L74 HydrophobicContact CZ-CB 4.29Å; F23-L74 HydrophobicContact CZ-CD1 3.44Å; F23-L74 VanDerWaalsContact CZ-CD1 3.44Å; F23-L74 HydrophobicContact CZ-CG 4.45Å; L55-L74 HydrophobicContact CB-CD2 4.04Å; L55-L74 HydrophobicContact CD2-CB 4.46Å; L55-L74 HydrophobicContact CD2-CD2 3.53Å; L55-L74 HydrophobicContact CG-CD2 4.28Å; Q70-L74 PolarHBondContact O-N 2.92Å; L71-L74 CarbonylContact O-C 3.53Å; L74-N76 PolarHBondContact O-N 3.09Å
75L84.6Confident80.3Confident35 Ų3578 Ų7818%0.18340%0.399CS..  trans-76.1116.2-176.9-56179.1000109.8I77 V150 R153 F154 W186L75-I77 HydrophobicContact CB-CD1 4.36Å; L75-I77 HydrophobicContact CB-CG1 4.04Å; L75-I77 PolarHBondContact O-N 3.16Å; L75-V150 HydrophobicContact CD1-CG1 4.03Å; L75-V150 HydrophobicContact CD2-CB 4.34Å; L75-V150 HydrophobicContact CD2-CG1 3.72Å; L75-V150 HydrophobicContact CD2-CG2 3.66Å; L75-R153 HydrophobicContact CD1-CB 4.38Å; L75-F154 HydrophobicContact CD1-CD2 4.34Å; L75-F154 HydrophobicContact CD1-CE2 3.79Å; L75-F154 HydrophobicContact CD1-CZ 4.37Å; L75-W186 HydrophobicContact CD2-CZ2 4.5Å
76N84.7Confident81.2Confident54 Ų5477.7 Ų77.729%0.28940%0.4SS..  trans-8191.9170.6-63.6-34.3000108.6D54 L74 P78D54-N76 HydrophobicContact CB-CB 4.18Å; L74-N76 PolarHBondContact O-N 3.09Å; N76-P78 WeakPolarHBondContact O-CD 3.47Å
77I88.2Confident82.5Confident60 Ų6087.3 Ų87.331%0.30844%0.444SS..  trans-94.3113.7180-56.2178.2000108.2L75 L79 F154 W186L75-I77 HydrophobicContact CB-CD1 4.36Å; L75-I77 HydrophobicContact CB-CG1 4.04Å; L75-I77 PolarHBondContact O-N 3.16Å; I77-L79 PolarHBondContact O-N 2.92Å; I77-F154 HydrophobicContact CD1-CE1 4.31Å; I77-F154 HydrophobicContact CD1-CZ 3.94Å; I77-F154 HydrophobicContact CG1-CZ 4.48Å; I77-W186 HydrophobicContact CG1-CB 4.45Å
78P87.5Confident83.7Confident53 Ų5383.5 Ų83.534%0.34443%0.429SS..PPolyproline II helixtrans-65.6131.7178.526.9-33.6000110.3N76 A185 E189N76-P78 WeakPolarHBondContact O-CD 3.47Å; P78-A185 HydrophobicContact CG-CB 4.01Å; P78-E189 HydrophobicContact CG-CG 3.9Å
79L85.7Confident84.9Confident163 Ų16391.6 Ų91.685%0.85347%0.466SS*.PPolyproline II helixtrans-91.2137.3177.1-67.7174.4000110.6I77I77-L79 PolarHBondContact O-N 2.92Å
80S84.9Confident86.1Confident94 Ų9492.6 Ų92.666%0.65747%0.465SS*.PPolyproline II helixtrans-96.5155.6171.957.70000111A82S80-A82 PolarHBondContact O-N 3.02Å
81K86.9Confident87.2Confident195 Ų19591.9 Ų91.985%0.84847%0.47SS*.PPolyproline II helixtrans-64135.4175-70.8-175.9179178.50109.9V83K81-V83 PolarHBondContact O-N 2.93Å
82A88.2Confident88.5Confident65 Ų6598 Ų9854%0.53750%0.496SS..PPolyproline II helixtrans-60.2134.2171.900000110.2S80 F85S80-A82 PolarHBondContact O-N 3.02Å; A82-F85 HydrophobicContact CB-CE1 4.13Å; A82-F85 WeakPolarHBondContact O-CE1 3.43Å
83V90.4Very high89.4Confident131 Ų131100.6 Ų100.679%0.79451%0.51SS*.  trans-110.5-8.9176.9-63.10000112.8K81K81-V83 PolarHBondContact O-N 2.93Å
84R92Very high90.4Very high199 Ų19998 Ų9875%0.75150%0.502SS*.  trans-119.3128.8175.2-67.7-167.6178.9-162.71.6109.3
85F95.1Very high91.1Very high62 Ų6298.9 Ų98.927%0.27251%0.513SS..  trans-117.19.6-172.6-55-37.2000113.9A82 E87 H88 G91 H94A82-F85 HydrophobicContact CB-CE1 4.13Å; A82-F85 WeakPolarHBondContact O-CE1 3.43Å; F85-E87 PolarHBondContact O-N 3.13Å; F85-H88 HydrophobicContact CB-CB 4.31Å; F85-H88 VanDerWaalsContact CB-O 3.26Å; F85-H88 WeakPolarHBondContact CB-O 3.45Å; F85-H88 VanDerWaalsContact O-CB 3.3Å; F85-H88 WeakPolarHBondContact O-CB 3.45Å; F85-H88 PolarHBondContact O-CD2 2.71Å; F85-H88 VanDerWaalsContact O-CD2 3.31Å; F85-H88 PolarHBondContact O-N 2.84Å; F85-G91 VanDerWaalsContact CE1-CA 3.44Å; F85-H94 WeakPolarHBondContact CA-ND1 3.17Å; F85-H94 HydrophobicContact CB-CB 4.08Å; F85-H94 HydrophobicContact CD1-CB 4.31Å; F85-H94 PolarHBondContact O-ND1 3.3Å
86H89.2Confident91.6Very high133 Ų133100.7 Ų100.762%0.61652%0.523SS*.THydrogen-bonded Turntrans41.471.8173.3-62-85.7000113.7H88 H94H86-H88 PolarHBondContact O-CD2 2.89Å; H86-H88 VanDerWaalsContact O-CD2 3.3Å; H86-H88 PolarHBondContact O-N 3.2Å; H86-H88 VanDerWaalsContact O-N 3.16Å; H86-H94 AromaticContact CD2-CE1 3.44Å; H86-H94 PolarHBondContact CD2-CE1 3.5Å; H86-H94 VanDerWaalsContact CD2-CE1 3.44Å; H86-H94 AromaticContact CG-CE1 3.95Å
87E94.6Very high92.1Very high209 Ų20999.6 Ų99.698%0.97752%0.522SS*.THydrogen-bonded Turntrans73.6-10.3-179.9-48.4176.4169.600115.9F85F85-E87 PolarHBondContact O-N 3.13Å
88H96Very high92.5Very high77 Ų77100.9 Ų100.936%0.35653%0.529SS..  trans-87.2149.4174.2-59.2-72.8000112.6F85 H86 D93 H94 A97F85-H88 HydrophobicContact CB-CB 4.31Å; F85-H88 VanDerWaalsContact CB-O 3.26Å; F85-H88 WeakPolarHBondContact CB-O 3.45Å; F85-H88 VanDerWaalsContact O-CB 3.3Å; F85-H88 WeakPolarHBondContact O-CB 3.45Å; F85-H88 PolarHBondContact O-CD2 2.71Å; F85-H88 VanDerWaalsContact O-CD2 3.31Å; F85-H88 PolarHBondContact O-N 2.84Å; H86-H88 PolarHBondContact O-CD2 2.89Å; H86-H88 VanDerWaalsContact O-CD2 3.3Å; H86-H88 PolarHBondContact O-N 3.2Å; H86-H88 VanDerWaalsContact O-N 3.16Å; H88-D93 HydrophobicContact CB-CB 3.99Å; H88-H94 HydrophobicContact CB-CB 4.08Å; H88-H94 AromaticContact CD2-ND1 3.69Å; H88-A97 WeakPolarHBondContact CE1-CB 3.37Å; H88-A97 VanDerWaalsContact NE2-CB 3.26Å; H88-A97 WeakPolarHBondContact NE2-CB 3.34Å
89Q94Very high92.8Very high175 Ų175103.5 Ų103.582%0.81854%0.535SS*.SBendtrans-76.2-38.2-174.7-171.2173.96.500112.6
90T95.2Very high93.3Very high58 Ų5899.2 Ų99.236%0.35652%0.519SS..SBendtrans-126.7160.6-17974.60000112K92 D93 H94T90-K92 PolarHBondContact O-N 3.36Å; T90-K92 PolarHBondContact OG1-N 3.15Å; T90-D93 WeakPolarHBondContact CB-OD2 3.32Å; T90-D93 PolarHBondContact N-OD2 2.87Å; T90-D93 VanDerWaalsContact N-OD2 3.15Å; T90-D93 PolarHBondContact O-N 3.29Å; T90-D93 PolarHBondContact OG1-N 3.45Å; T90-D93 VanDerWaalsContact OG1-N 3.15Å; T90-D93 PolarHBondContact OG1-OD1 3.33Å; T90-D93 PolarHBondContact OG1-OD2 2.84Å; T90-H94 PolarHBondContact O-N 3.42Å
91G93.1Very high93.8Very high31 Ų3197 Ų9732%0.3251%0.506SS..Hα-helixtrans-61.5-28.9173.100000113.2F85 A95F85-G91 VanDerWaalsContact CE1-CA 3.44Å; G91-A95 WeakPolarHBondContact O-CB 3.36Å; G91-A95 PolarHBondContact O-N 3.31Å
92K95Very high94.1Very high138 Ų13894.9 Ų94.960%0.649%0.493SS*.Hα-helixtrans-66.3-49.5173.5178.6178.2167.850.30110.6T90 H94 A95 D96T90-K92 PolarHBondContact O-N 3.36Å; T90-K92 PolarHBondContact OG1-N 3.15Å; K92-H94 VanDerWaalsContact C-N 3.27Å; K92-H94 PolarHBondContact O-N 3.45Å; K92-A95 PolarHBondContact O-N 3.18Å; K92-A95 VanDerWaalsContact O-N 3.15Å; K92-D96 WeakPolarHBondContact CG-OD2 3.43Å; K92-D96 IonicContact NZ-OD2 3.99Å; K92-D96 PolarHBondContact NZ-OD2 3.32Å; K92-D96 WeakPolarHBondContact O-CB 3.43Å; K92-D96 PolarHBondContact O-N 3.41Å
93D96.3Very high94.4Very high63 Ų6397.5 Ų97.534%0.33749%0.493SS..Hα-helixtrans-60.9-41.1179.8-55.2-37.2000110.9H88 T90 D96 A97H88-D93 HydrophobicContact CB-CB 3.99Å; T90-D93 WeakPolarHBondContact CB-OD2 3.32Å; T90-D93 PolarHBondContact N-OD2 2.87Å; T90-D93 VanDerWaalsContact N-OD2 3.15Å; T90-D93 PolarHBondContact O-N 3.29Å; T90-D93 PolarHBondContact OG1-N 3.45Å; T90-D93 VanDerWaalsContact OG1-N 3.15Å; T90-D93 PolarHBondContact OG1-OD1 3.33Å; T90-D93 PolarHBondContact OG1-OD2 2.84Å; D93-D96 PolarHBondContact O-N 2.9Å; D93-A97 VanDerWaalsContact O-CB 3.27Å; D93-A97 WeakPolarHBondContact O-CB 2.99Å; D93-A97 PolarHBondContact O-N 3.38Å
94H96.6Very high94.6Very high30 Ų3095.9 Ų95.914%0.13949%0.488CS..Hα-helixtrans-60.7-46.6174.6-173.380.9000112.3F85 H86 H88 T90 K92 A97 L98F85-H94 WeakPolarHBondContact CA-ND1 3.17Å; F85-H94 HydrophobicContact CB-CB 4.08Å; F85-H94 HydrophobicContact CD1-CB 4.31Å; F85-H94 PolarHBondContact O-ND1 3.3Å; H86-H94 AromaticContact CD2-CE1 3.44Å; H86-H94 PolarHBondContact CD2-CE1 3.5Å; H86-H94 VanDerWaalsContact CD2-CE1 3.44Å; H86-H94 AromaticContact CG-CE1 3.95Å; H88-H94 HydrophobicContact CB-CB 4.08Å; H88-H94 AromaticContact CD2-ND1 3.69Å; T90-H94 PolarHBondContact O-N 3.42Å; K92-H94 VanDerWaalsContact C-N 3.27Å; K92-H94 PolarHBondContact O-N 3.45Å; H94-A97 PolarHBondContact O-N 3.1Å; H94-L98 WeakPolarHBondContact NE2-CD1 3.38Å; H94-L98 WeakPolarHBondContact O-CG 3.42Å; H94-L98 PolarHBondContact O-N 3.08Å
95A94.3Very high94.8Very high51 Ų5192.3 Ų92.342%0.42148%0.484SS..Hα-helixtrans-65.4-42.5178.500000112.4G91 K92 A97 L98 K99G91-A95 WeakPolarHBondContact O-CB 3.36Å; G91-A95 PolarHBondContact O-N 3.31Å; K92-A95 PolarHBondContact O-N 3.18Å; K92-A95 VanDerWaalsContact O-N 3.15Å; A95-A97 VanDerWaalsContact C-N 3.33Å; A95-L98 PolarHBondContact O-N 2.9Å; A95-K99 WeakPolarHBondContact O-CB 3.15Å; A95-K99 PolarHBondContact O-N 3.38Å
96D95.9Very high94.7Very high74 Ų7496.4 Ų96.440%0.39650%0.503SS..Hα-helixtrans-65.7-37.8178.3-73.6-26.2000110.7K92 D93 K99 S100K92-D96 WeakPolarHBondContact CG-OD2 3.43Å; K92-D96 IonicContact NZ-OD2 3.99Å; K92-D96 PolarHBondContact NZ-OD2 3.32Å; K92-D96 WeakPolarHBondContact O-CB 3.43Å; K92-D96 PolarHBondContact O-N 3.41Å; D93-D96 PolarHBondContact O-N 2.9Å; D96-K99 PolarHBondContact O-N 2.9Å; D96-S100 PolarHBondContact O-N 3.37Å
97A95.8Very high95Very high31 Ų3192.3 Ų92.326%0.25650%0.497SS..Hα-helixtrans-64.8-46.3173.400000112.6H88 D93 H94 A95 K99 S100 A101H88-A97 WeakPolarHBondContact CE1-CB 3.37Å; H88-A97 VanDerWaalsContact NE2-CB 3.26Å; H88-A97 WeakPolarHBondContact NE2-CB 3.34Å; D93-A97 VanDerWaalsContact O-CB 3.27Å; D93-A97 WeakPolarHBondContact O-CB 2.99Å; D93-A97 PolarHBondContact O-N 3.38Å; H94-A97 PolarHBondContact O-N 3.1Å; A95-A97 VanDerWaalsContact C-N 3.33Å; A97-K99 VanDerWaalsContact C-N 3.3Å; A97-K99 PolarHBondContact O-N 3.27Å; A97-S100 PolarHBondContact O-N 2.83Å; A97-A101 WeakPolarHBondContact O-CB 3.31Å; A97-A101 PolarHBondContact O-N 3.17Å
98L95Very high95Very high87 Ų8785.9 Ų85.946%0.45548%0.48SS..Hα-helixtrans-58.7-42.6174.2-75.3177000111.7H94 A95 A101 W102H94-L98 WeakPolarHBondContact NE2-CD1 3.38Å; H94-L98 WeakPolarHBondContact O-CG 3.42Å; H94-L98 PolarHBondContact O-N 3.08Å; A95-L98 PolarHBondContact O-N 2.9Å; L98-A101 PolarHBondContact O-N 3.12Å; L98-W102 HydrophobicContact CB-CE3 4.49Å; L98-W102 HydrophobicContact CB-CZ3 4.46Å; L98-W102 PolarHBondContact O-N 3.47Å
99K95Very high94.9Very high107 Ų10785 Ų8547%0.46549%0.486SS..Hα-helixtrans-61.7-46.8178.2-176.2175.2-178.6177.40111.9A95 D96 A97 A101 W102 Q103A95-K99 WeakPolarHBondContact O-CB 3.15Å; A95-K99 PolarHBondContact O-N 3.38Å; D96-K99 PolarHBondContact O-N 2.9Å; A97-K99 VanDerWaalsContact C-N 3.3Å; A97-K99 PolarHBondContact O-N 3.27Å; K99-A101 VanDerWaalsContact C-N 3.33Å; K99-W102 HydrophobicContact CB-CH2 4.4Å; K99-W102 HydrophobicContact CB-CZ2 3.95Å; K99-W102 HydrophobicContact CG-CZ2 3.84Å; K99-W102 VanDerWaalsContact O-CD1 3.28Å; K99-W102 PolarHBondContact O-NE1 3.43Å; K99-Q103 VanDerWaalsContact O-CG 3.31Å; K99-Q103 WeakPolarHBondContact O-CG 3.36Å; K99-Q103 PolarHBondContact O-N 2.98Å
100S95.6Very high94.9Very high74 Ų7478.4 Ų78.452%0.51747%0.465SS..Hα-helixtrans-62.2-42.6175.9-175.20000111.5D96 A97 Q103 S104D96-S100 PolarHBondContact O-N 3.37Å; A97-S100 PolarHBondContact O-N 2.83Å; S100-Q103 PolarHBondContact O-N 3.32Å; S100-S104 PolarHBondContact O-N 2.94Å
101A95.6Very high94.9Very high47 Ų4784.5 Ų84.539%0.38848%0.482SS..Hα-helixtrans-63.1-48-179.400000112.1A97 L98 K99 Q103 S104 N105A97-A101 WeakPolarHBondContact O-CB 3.31Å; A97-A101 PolarHBondContact O-N 3.17Å; L98-A101 PolarHBondContact O-N 3.12Å; K99-A101 VanDerWaalsContact C-N 3.33Å; A101-Q103 VanDerWaalsContact C-N 3.29Å; A101-Q103 PolarHBondContact O-N 2.84Å; A101-S104 PolarHBondContact O-N 3.08Å; A101-N105 VanDerWaalsContact O-CB 3.32Å; A101-N105 WeakPolarHBondContact O-CB 3.47Å; A101-N105 PolarHBondContact O-N 3.47Å; A101-N105 PolarHBondContact O-ND2 3.33Å
102W93.1Very high95.1Very high151 Ų15187.3 Ų87.357%0.57249%0.486SS*.Hα-helixtrans-69.8-26.1-178.472.849.1000113L98 K99 S104 N105 H106L98-W102 HydrophobicContact CB-CE3 4.49Å; L98-W102 HydrophobicContact CB-CZ3 4.46Å; L98-W102 PolarHBondContact O-N 3.47Å; K99-W102 HydrophobicContact CB-CH2 4.4Å; K99-W102 HydrophobicContact CB-CZ2 3.95Å; K99-W102 HydrophobicContact CG-CZ2 3.84Å; K99-W102 VanDerWaalsContact O-CD1 3.28Å; K99-W102 PolarHBondContact O-NE1 3.43Å; W102-S104 VanDerWaalsContact C-N 3.29Å; W102-S104 PolarHBondContact O-N 2.97Å; W102-N105 CarbonylContact O-C 3.51Å; W102-N105 PolarHBondContact O-N 2.9Å; W102-H106 WeakPolarHBondContact O-CB 3.46Å; W102-H106 PolarHBondContact O-ND1 3.27Å
103Q94.9Very high95.2Very high119 Ų11984.4 Ų84.456%0.55647%0.472SS*.Hα-helixtrans-65.3-39.2178.5-80.9178.6-20.700110.7K99 S100 A101 H106K99-Q103 VanDerWaalsContact O-CG 3.31Å; K99-Q103 WeakPolarHBondContact O-CG 3.36Å; K99-Q103 PolarHBondContact O-N 2.98Å; S100-Q103 PolarHBondContact O-N 3.32Å; A101-Q103 VanDerWaalsContact C-N 3.29Å; A101-Q103 PolarHBondContact O-N 2.84Å; Q103-H106 PolarHBondContact O-CE1 2.98Å; Q103-H106 PolarHBondContact O-ND1 3.38Å
104S94.8Very high95.3Very high97 Ų9786.8 Ų86.868%0.67848%0.483SS*.Hα-helixtrans-88.8-24.9178.1-56.10000113.1S100 A101 W102S100-S104 PolarHBondContact O-N 2.94Å; A101-S104 PolarHBondContact O-N 3.08Å; W102-S104 VanDerWaalsContact C-N 3.29Å; W102-S104 PolarHBondContact O-N 2.97Å
105N94.9Very high95.3Very high124 Ų12492.7 Ų92.766%0.66350%0.504SS*.SBendtrans-129.492.6-173.1-53.1-81.8000110.8A101 W102A101-N105 VanDerWaalsContact O-CB 3.32Å; A101-N105 WeakPolarHBondContact O-CB 3.47Å; A101-N105 PolarHBondContact O-N 3.47Å; A101-N105 PolarHBondContact O-ND2 3.33Å; W102-N105 CarbonylContact O-C 3.51Å; W102-N105 PolarHBondContact O-N 2.9Å
106H94.1Very high95.5Very high148 Ų14892.5 Ų92.569%0.68549%0.493SS*.  trans-138.4157.2178.155.5-89.7000112.7W102 Q103 A108W102-H106 WeakPolarHBondContact O-CB 3.46Å; W102-H106 PolarHBondContact O-ND1 3.27Å; Q103-H106 PolarHBondContact O-CE1 2.98Å; Q103-H106 PolarHBondContact O-ND1 3.38Å; H106-A108 VanDerWaalsContact C-N 3.32Å; H106-A108 PolarHBondContact O-N 3.44Å
107G94.1Very high95.6Very high47 Ų4791 Ų9149%0.48548%0.484SS..SBendtrans83.7-13.117400000116.5R111G107-R111 WeakPolarHBondContact O-CD 3.49Å; G107-R111 VanDerWaalsContact O-CG 3.25Å; G107-R111 WeakPolarHBondContact O-CG 3.38Å
108A95.3Very high95.7Very high74 Ų7492.4 Ų92.461%0.61250%0.496SS*.Hα-helixtrans-68.7-56.8-179.800000112.8H106 G110 R111 E112H106-A108 VanDerWaalsContact C-N 3.32Å; H106-A108 PolarHBondContact O-N 3.44Å; A108-G110 PolarHBondContact O-N 2.92Å; A108-R111 PolarHBondContact O-N 3.24Å; A108-R111 VanDerWaalsContact O-N 3.11Å; A108-E112 PolarHBondContact O-N 3.01Å
109A94.6Very high95.8Very high58 Ų5891.3 Ų91.348%0.47951%0.505SS..Hα-helixtrans-52.7-48-176.100000113.2R111 E112 W113 V167A109-R111 PolarHBondContact O-N 3.1Å; A109-E112 PolarHBondContact O-N 2.97Å; A109-W113 WeakPolarHBondContact O-CB 3.39Å; A109-W113 PolarHBondContact O-N 2.89Å; A109-V167 HydrophobicContact CB-CG1 3.75Å
110G93.4Very high96Very high37 Ų3789.7 Ų89.738%0.38150%0.499SS..Hα-helixtrans-65.3-38.4-179.900000113.3A108 I114A108-G110 PolarHBondContact O-N 2.92Å; G110-I114 WeakPolarHBondContact O-CB 3.22Å; G110-I114 WeakPolarHBondContact O-CD1 3.48Å; G110-I114 WeakPolarHBondContact O-CG1 3.31Å; G110-I114 PolarHBondContact O-N 3.26Å
111R96.4Very high96.1Very high187 Ų18792.5 Ų92.571%0.70650%0.504SS*.Hα-helixtrans-67.3-40.3177.3-72172.2-178.7-117.12.4111.5G107 A108 A109 R115G107-R111 WeakPolarHBondContact O-CD 3.49Å; G107-R111 VanDerWaalsContact O-CG 3.25Å; G107-R111 WeakPolarHBondContact O-CG 3.38Å; A108-R111 PolarHBondContact O-N 3.24Å; A108-R111 VanDerWaalsContact O-N 3.11Å; A109-R111 PolarHBondContact O-N 3.1Å; R111-R115 PolarHBondContact O-N 3.08Å
112E96.8Very high96.3Very high89 Ų8995.6 Ų95.642%0.41651%0.511SS..Hα-helixtrans-63.7-48.7176.1-166.757.6-129.900111.1A108 A109 I114 R115 W116 V167A108-E112 PolarHBondContact O-N 3.01Å; A109-E112 PolarHBondContact O-N 2.97Å; E112-I114 VanDerWaalsContact C-N 3.33Å; E112-I114 PolarHBondContact O-N 3.36Å; E112-R115 WeakPolarHBondContact O-CB 3.4Å; E112-R115 PolarHBondContact O-N 3.28Å; E112-R115 VanDerWaalsContact O-N 3.11Å; E112-R115 IonicContact OE1-NH1 2.9Å; E112-R115 PolarHBondContact OE1-NH1 2.96Å; E112-R115 VanDerWaalsContact OE1-NH1 3.14Å; E112-R115 IonicContact OE2-CZ 3.23Å; E112-R115 IonicContact OE2-NH1 3.43Å; E112-R115 PolarHBondContact OE2-NH1 2.87Å; E112-W116 PolarHBondContact O-N 3.33Å; E112-V167 HydrophobicContact CB-CG2 4.42Å
113W97.5Very high96.5Very high78 Ų7893.1 Ų93.130%0.29551%0.505SS..Hα-helixtrans-60.9-41.7179-172.253.8000112.4A109 R115 W116 L117 A160 L163 V167A109-W113 WeakPolarHBondContact O-CB 3.39Å; A109-W113 PolarHBondContact O-N 2.89Å; W113-R115 PolarHBondContact O-N 3.45Å; W113-W116 PolarHBondContact O-N 3Å; W113-L117 HydrophobicContact CD2-CD1 3.78Å; W113-L117 HydrophobicContact CD2-CG 4.45Å; W113-L117 HydrophobicContact CE3-CD1 4.08Å; W113-L117 HydrophobicContact CG-CD1 4.35Å; W113-L117 HydrophobicContact CH2-CD1 4.11Å; W113-L117 HydrophobicContact CZ2-CD1 3.81Å; W113-L117 HydrophobicContact CZ3-CD1 4.23Å; W113-L117 WeakPolarHBondContact O-CB 3.35Å; W113-L117 VanDerWaalsContact O-CG 3.32Å; W113-L117 WeakPolarHBondContact O-CG 3.27Å; W113-L117 PolarHBondContact O-N 3.29Å; W113-A160 HydrophobicContact CH2-CB 4.13Å; W113-A160 HydrophobicContact CZ2-CB 4.14Å; W113-L163 PolarHBondContact NE1-O 3.46Å; W113-V167 HydrophobicContact CB-CG2 4.06Å
114I97.1Very high96.6Very high113 Ų11388.3 Ų88.358%0.57949%0.486SS*.Hα-helixtrans-61.9-43.4174.5-71.5165.9000111.1G110 E112 W116 L117 A118G110-I114 WeakPolarHBondContact O-CB 3.22Å; G110-I114 WeakPolarHBondContact O-CD1 3.48Å; G110-I114 WeakPolarHBondContact O-CG1 3.31Å; G110-I114 PolarHBondContact O-N 3.26Å; E112-I114 VanDerWaalsContact C-N 3.33Å; E112-I114 PolarHBondContact O-N 3.36Å; I114-W116 VanDerWaalsContact C-N 3.33Å; I114-W116 PolarHBondContact O-N 3.36Å; I114-L117 PolarHBondContact O-N 2.87Å; I114-A118 WeakPolarHBondContact O-CB 3.37Å; I114-A118 PolarHBondContact O-N 3.03Å
115R97.7Very high96.8Very high153 Ų15387.3 Ų87.358%0.57747%0.473SS*.Hα-helixtrans-61.4-45176.9-170.8-172.5-60119.50.6110.8R111 E112 W113 A118 G119R111-R115 PolarHBondContact O-N 3.08Å; E112-R115 WeakPolarHBondContact O-CB 3.4Å; E112-R115 PolarHBondContact O-N 3.28Å; E112-R115 VanDerWaalsContact O-N 3.11Å; E112-R115 IonicContact OE1-NH1 2.9Å; E112-R115 PolarHBondContact OE1-NH1 2.96Å; E112-R115 VanDerWaalsContact OE1-NH1 3.14Å; E112-R115 IonicContact OE2-CZ 3.23Å; E112-R115 IonicContact OE2-NH1 3.43Å; E112-R115 PolarHBondContact OE2-NH1 2.87Å; W113-R115 PolarHBondContact O-N 3.45Å; R115-A118 PolarHBondContact O-N 3.41Å; R115-G119 PolarHBondContact O-N 3.29Å
116W98Very high97Very high48 Ų4884.2 Ų84.218%0.18246%0.456CS..Hα-helixtrans-61.6-48.5177.8-173.391.5000111.5E112 W113 I114 A118 G119 H120 L163 V166E112-W116 PolarHBondContact O-N 3.33Å; W113-W116 PolarHBondContact O-N 3Å; I114-W116 VanDerWaalsContact C-N 3.33Å; I114-W116 PolarHBondContact O-N 3.36Å; W116-A118 VanDerWaalsContact C-N 3.29Å; W116-A118 PolarHBondContact O-N 3.43Å; W116-G119 PolarHBondContact O-N 3.08Å; W116-G119 VanDerWaalsContact O-N 3.08Å; W116-H120 AromaticContact CD1-CE1 3.72Å; W116-H120 AromaticContact CD1-ND1 3.81Å; W116-H120 HydrophobicContact CD2-CB 4.34Å; W116-H120 AromaticContact CD2-ND1 3.62Å; W116-H120 AromaticContact CE2-CD2 3.98Å; W116-H120 AromaticContact CE2-CE1 3.65Å; W116-H120 AromaticContact CE2-CG 3.62Å; W116-H120 AromaticContact CE2-ND1 3.4Å; W116-H120 HydrophobicContact CE3-CB 4.14Å; W116-H120 AromaticContact CG-ND1 3.87Å; W116-H120 HydrophobicContact CH2-CB 3.7Å; W116-H120 AromaticContact CH2-CG 3.91Å; W116-H120 HydrophobicContact CZ2-CB 3.91Å; W116-H120 AromaticContact CZ2-CD2 3.71Å; W116-H120 AromaticContact CZ2-CG 3.56Å; W116-H120 AromaticContact CZ2-ND1 3.85Å; W116-H120 HydrophobicContact CZ3-CB 3.81Å; W116-H120 AromaticContact NE1-CE1 3.3Å; W116-H120 PolarHBondContact NE1-CE1 3.42Å; W116-H120 VanDerWaalsContact NE1-CE1 3.3Å; W116-H120 AromaticContact NE1-ND1 3.5Å; W116-H120 PolarHBondContact NE1-ND1 3.3Å; W116-H120 AromaticContact NE1-NE2 3.79Å; W116-H120 PolarHBondContact O-N 3.24Å; W116-H120 PolarHBondContact O-ND1 3.24Å; W116-L163 HydrophobicContact CH2-CD2 3.84Å; W116-L163 HydrophobicContact CZ3-CB 4.17Å; W116-L163 HydrophobicContact CZ3-CD2 3.82Å; W116-V166 HydrophobicContact CB-CG2 4.27Å; W116-V166 HydrophobicContact CD2-CG1 4.16Å; W116-V166 HydrophobicContact CD2-CG2 4.04Å; W116-V166 HydrophobicContact CG-CB 4.5Å; W116-V166 HydrophobicContact CG-CG1 4.41Å; W116-V166 HydrophobicContact CG-CG2 3.87Å; W116-V166 HydrophobicContact CZ2-CG1 4.05Å
117L97.9Very high97.2Very high42 Ų4278.3 Ų78.322%0.2243%0.43CS..Hα-helixtrans-58.9-38.4177.6-75.8173000112.6W113 I114 G119 H120 Q121 A124 L163W113-L117 HydrophobicContact CD2-CD1 3.78Å; W113-L117 HydrophobicContact CD2-CG 4.45Å; W113-L117 HydrophobicContact CE3-CD1 4.08Å; W113-L117 HydrophobicContact CG-CD1 4.35Å; W113-L117 HydrophobicContact CH2-CD1 4.11Å; W113-L117 HydrophobicContact CZ2-CD1 3.81Å; W113-L117 HydrophobicContact CZ3-CD1 4.23Å; W113-L117 WeakPolarHBondContact O-CB 3.35Å; W113-L117 VanDerWaalsContact O-CG 3.32Å; W113-L117 WeakPolarHBondContact O-CG 3.27Å; W113-L117 PolarHBondContact O-N 3.29Å; I114-L117 PolarHBondContact O-N 2.87Å; L117-G119 PolarHBondContact O-N 3.2Å; L117-H120 CarbonylContact O-C 3.52Å; L117-H120 PolarHBondContact O-N 3.1Å; L117-H120 VanDerWaalsContact O-N 3.1Å; L117-Q121 PolarHBondContact O-N 3.01Å; L117-A124 HydrophobicContact CD2-CB 3.94Å; L117-L163 HydrophobicContact CD2-CD1 4.19Å
118A97.9Very high97.3Very high61 Ų6178.1 Ų78.150%0.50442%0.419SS..Hα-helixtrans-60.4-32.2178.200000112.5I114 R115 W116 Q121I114-A118 WeakPolarHBondContact O-CB 3.37Å; I114-A118 PolarHBondContact O-N 3.03Å; R115-A118 PolarHBondContact O-N 3.41Å; W116-A118 VanDerWaalsContact C-N 3.29Å; W116-A118 PolarHBondContact O-N 3.43Å; A118-Q121 PolarHBondContact O-NE2 2.94Å; A118-Q121 VanDerWaalsContact O-NE2 3.12Å
119G98.1Very high97.5Very high63 Ų6381.7 Ų81.765%0.64942%0.417SS*.Hα-helixtrans-86.5-14.2175.400000115.3R115 W116 L117R115-G119 PolarHBondContact O-N 3.29Å; W116-G119 PolarHBondContact O-N 3.08Å; W116-G119 VanDerWaalsContact O-N 3.08Å; L117-G119 PolarHBondContact O-N 3.2Å
120H98.2Very high97.7Very high74 Ų7484.3 Ų84.334%0.34342%0.423SS..  trans-126.638.9-171.6-61.284000112.7W116 L117 Q122 Q123 A124W116-H120 AromaticContact CD1-CE1 3.72Å; W116-H120 AromaticContact CD1-ND1 3.81Å; W116-H120 HydrophobicContact CD2-CB 4.34Å; W116-H120 AromaticContact CD2-ND1 3.62Å; W116-H120 AromaticContact CE2-CD2 3.98Å; W116-H120 AromaticContact CE2-CE1 3.65Å; W116-H120 AromaticContact CE2-CG 3.62Å; W116-H120 AromaticContact CE2-ND1 3.4Å; W116-H120 HydrophobicContact CE3-CB 4.14Å; W116-H120 AromaticContact CG-ND1 3.87Å; W116-H120 HydrophobicContact CH2-CB 3.7Å; W116-H120 AromaticContact CH2-CG 3.91Å; W116-H120 HydrophobicContact CZ2-CB 3.91Å; W116-H120 AromaticContact CZ2-CD2 3.71Å; W116-H120 AromaticContact CZ2-CG 3.56Å; W116-H120 AromaticContact CZ2-ND1 3.85Å; W116-H120 HydrophobicContact CZ3-CB 3.81Å; W116-H120 AromaticContact NE1-CE1 3.3Å; W116-H120 PolarHBondContact NE1-CE1 3.42Å; W116-H120 VanDerWaalsContact NE1-CE1 3.3Å; W116-H120 AromaticContact NE1-ND1 3.5Å; W116-H120 PolarHBondContact NE1-ND1 3.3Å; W116-H120 AromaticContact NE1-NE2 3.79Å; W116-H120 PolarHBondContact O-N 3.24Å; W116-H120 PolarHBondContact O-ND1 3.24Å; L117-H120 CarbonylContact O-C 3.52Å; L117-H120 PolarHBondContact O-N 3.1Å; L117-H120 VanDerWaalsContact O-N 3.1Å; H120-Q122 PolarHBondContact O-N 2.86Å; H120-Q123 HydrophobicContact CB-CB 4.32Å; H120-Q123 PolarHBondContact CD2-OE1 3.4Å; H120-Q123 PolarHBondContact O-N 3.42Å; H120-A124 PolarHBondContact O-N 3.37Å
121Q98.3Very high97.9Very high132 Ų13282.7 Ų82.762%0.61741%0.406SS*.Hα-helixtrans-59.4-44.4-172.2-63177.428.700113.3L117 A118 A124 I125L117-Q121 PolarHBondContact O-N 3.01Å; A118-Q121 PolarHBondContact O-NE2 2.94Å; A118-Q121 VanDerWaalsContact O-NE2 3.12Å; Q121-A124 PolarHBondContact O-N 2.86Å; Q121-I125 WeakPolarHBondContact O-CG1 3.42Å; Q121-I125 PolarHBondContact O-N 3.43Å
122Q98.5Very high97.9Very high113 Ų11376.6 Ų76.653%0.52839%0.385SS..Hα-helixtrans-66.2-44.4-179.5-172.455.850.100111.2H120 A124 I125 D126H120-Q122 PolarHBondContact O-N 2.86Å; Q122-A124 VanDerWaalsContact C-N 3.27Å; Q122-A124 PolarHBondContact O-N 3.32Å; Q122-I125 PolarHBondContact O-N 2.81Å; Q122-I125 VanDerWaalsContact O-N 3.13Å; Q122-D126 PolarHBondContact NE2-OD1 3.44Å; Q122-D126 PolarHBondContact NE2-OD2 2.64Å; Q122-D126 PolarHBondContact O-N 2.93Å
123Q98.1Very high97.9Very high98 Ų9874.8 Ų74.846%0.45839%0.386SS..Hα-helixtrans-58.7-40.1174.8-176.5179.9-1.900111.6H120 D126 T127 L163H120-Q123 HydrophobicContact CB-CB 4.32Å; H120-Q123 PolarHBondContact CD2-OE1 3.4Å; H120-Q123 PolarHBondContact O-N 3.42Å; Q123-D126 PolarHBondContact O-N 3.18Å; Q123-T127 VanDerWaalsContact O-CB 3.29Å; Q123-T127 WeakPolarHBondContact O-CB 3.49Å; Q123-T127 PolarHBondContact O-N 3.47Å; Q123-T127 PolarHBondContact O-OG1 3.47Å; Q123-L163 HydrophobicContact CG-CD2 4.44Å
124A98Very high97.9Very high18 Ų1874 Ų7415%0.14938%0.383CS..Hα-helixtrans-64.5-42.9176.100000112.2L117 H120 Q121 Q122 V128 L163L117-A124 HydrophobicContact CD2-CB 3.94Å; H120-A124 PolarHBondContact O-N 3.37Å; Q121-A124 PolarHBondContact O-N 2.86Å; Q122-A124 VanDerWaalsContact C-N 3.27Å; Q122-A124 PolarHBondContact O-N 3.32Å; A124-V128 WeakPolarHBondContact O-CG2 3.23Å; A124-V128 PolarHBondContact O-N 2.93Å; A124-V128 VanDerWaalsContact O-N 3.1Å; A124-L163 HydrophobicContact CB-CD1 3.8Å
125I98.1Very high97.9Very high77 Ų7768.9 Ų68.940%0.39536%0.356SS..Hα-helixtrans-61.3-47.3176.4-70165.4000110.9Q121 Q122 V128 R129Q121-I125 WeakPolarHBondContact O-CG1 3.42Å; Q121-I125 PolarHBondContact O-N 3.43Å; Q122-I125 PolarHBondContact O-N 2.81Å; Q122-I125 VanDerWaalsContact O-N 3.13Å; I125-V128 PolarHBondContact O-N 3.28Å; I125-R129 WeakPolarHBondContact O-CG 3.42Å; I125-R129 PolarHBondContact O-N 3.21Å; I125-R129 VanDerWaalsContact O-N 3.09Å
126D98.6Very high97.8Very high58 Ų5869.2 Ų69.231%0.3136%0.358SS..Hα-helixtrans-67.6-41.4-177.4-65.1-28.8000110.9Q122 Q123 V128 R129 D130Q122-D126 PolarHBondContact NE2-OD1 3.44Å; Q122-D126 PolarHBondContact NE2-OD2 2.64Å; Q122-D126 PolarHBondContact O-N 2.93Å; Q123-D126 PolarHBondContact O-N 3.18Å; D126-V128 VanDerWaalsContact C-N 3.32Å; D126-V128 PolarHBondContact O-N 2.92Å; D126-R129 WeakPolarHBondContact O-CB 3.44Å; D126-R129 PolarHBondContact O-N 3.31Å; D126-R129 VanDerWaalsContact O-N 3.08Å; D126-R129 IonicContact OD1-NH1 3.81Å; D126-D130 PolarHBondContact O-N 3.3Å
127T98.3Very high97.6Very high25 Ų2571.5 Ų71.515%0.15338%0.381CS..Hα-helixtrans-59.8-41175.9-56.90000111.9Q123 C131 A159 L162 L163Q123-T127 VanDerWaalsContact O-CB 3.29Å; Q123-T127 WeakPolarHBondContact O-CB 3.49Å; Q123-T127 PolarHBondContact O-N 3.47Å; Q123-T127 PolarHBondContact O-OG1 3.47Å; T127-C131 WeakPolarHBondContact O-CB 3.44Å; T127-C131 PolarHBondContact O-N 3.08Å; T127-C131 PolarHBondContact O-SG 2.6Å; T127-A159 HydrophobicContact CG2-CB 4.09Å; T127-L162 HydrophobicContact CG2-CB 4.36Å; T127-L162 HydrophobicContact CG2-CD1 4.23Å; T127-L163 HydrophobicContact CG2-CD1 4.38Å; T127-L163 HydrophobicContact CG2-CD2 4.17Å; T127-L163 HydrophobicContact CG2-CG 4.04Å
128V97.9Very high97.5Very high42 Ų4272.8 Ų72.826%0.25539%0.388SS..Hα-helixtrans-63.6-43.9174.9171.40000111.1A124 I125 D126 D130 C131 E132 A159A124-V128 WeakPolarHBondContact O-CG2 3.23Å; A124-V128 PolarHBondContact O-N 2.93Å; A124-V128 VanDerWaalsContact O-N 3.1Å; I125-V128 PolarHBondContact O-N 3.28Å; D126-V128 VanDerWaalsContact C-N 3.32Å; D126-V128 PolarHBondContact O-N 2.92Å; V128-D130 PolarHBondContact O-N 3.39Å; V128-C131 PolarHBondContact O-N 3.36Å; V128-E132 HydrophobicContact CG1-CG 4.46Å; V128-E132 WeakPolarHBondContact O-CG 3.43Å; V128-E132 PolarHBondContact O-N 3.21Å; V128-A159 HydrophobicContact CB-CB 4.31Å; V128-A159 HydrophobicContact CG2-CB 3.63Å
129R98.1Very high97.3Very high149 Ų14970.3 Ų70.356%0.56237%0.366SS*.Hα-helixtrans-62.4-43.2178.9-73.7173172.1172.8-2.9112.1I125 D126 E132 A133I125-R129 WeakPolarHBondContact O-CG 3.42Å; I125-R129 PolarHBondContact O-N 3.21Å; I125-R129 VanDerWaalsContact O-N 3.09Å; D126-R129 WeakPolarHBondContact O-CB 3.44Å; D126-R129 PolarHBondContact O-N 3.31Å; D126-R129 VanDerWaalsContact O-N 3.08Å; D126-R129 IonicContact OD1-NH1 3.81Å; R129-E132 PolarHBondContact O-N 3.4Å; R129-A133 WeakPolarHBondContact O-CB 3.29Å; R129-A133 PolarHBondContact O-N 2.82Å
130D98.2Very high97.1Very high113 Ų11369.9 Ų69.960%0.60435%0.351SS*.Hα-helixtrans-64.5-44.1178.3-69.3-15.7000110.9D126 V128 E132 A133 R134D126-D130 PolarHBondContact O-N 3.3Å; V128-D130 PolarHBondContact O-N 3.39Å; D130-E132 PolarHBondContact O-N 3.44Å; D130-A133 PolarHBondContact O-N 3.34Å; D130-R134 WeakPolarHBondContact O-CB 3.42Å; D130-R134 PolarHBondContact O-N 3.14Å
131C98.3Very high96.7Very high4 Ų471 Ų713%0.02737%0.373CS..Hα-helixtrans-60.2-46.8174-69.10000111.3T127 V128 A133 R134 W135 A155 A159T127-C131 WeakPolarHBondContact O-CB 3.44Å; T127-C131 PolarHBondContact O-N 3.08Å; T127-C131 PolarHBondContact O-SG 2.6Å; V128-C131 PolarHBondContact O-N 3.36Å; C131-A133 VanDerWaalsContact C-N 3.34Å; C131-A133 PolarHBondContact O-N 3.14Å; C131-R134 PolarHBondContact O-N 3.02Å; C131-W135 WeakPolarHBondContact O-CB 3.5Å; C131-W135 PolarHBondContact O-N 3.42Å; C131-A155 HydrophobicContact CB-CB 4.15Å; C131-A155 WeakPolarHBondContact CB-O 3.34Å; C131-A159 HydrophobicContact CB-CB 4.22Å
132E97.2Very high96.3Very high58 Ų5871.4 Ų71.427%0.27138%0.38SS..Hα-helixtrans-61.1-41.5178-74.5-174.8177.400112.5V128 R129 D130 W135 R136 A155V128-E132 HydrophobicContact CG1-CG 4.46Å; V128-E132 WeakPolarHBondContact O-CG 3.43Å; V128-E132 PolarHBondContact O-N 3.21Å; R129-E132 PolarHBondContact O-N 3.4Å; D130-E132 PolarHBondContact O-N 3.44Å; E132-W135 PolarHBondContact O-N 3.16Å; E132-R136 VanDerWaalsContact O-CG 3.3Å; E132-R136 WeakPolarHBondContact O-CG 3.45Å; E132-R136 PolarHBondContact O-N 3.32Å; E132-R136 IonicContact OE2-NH2 3.74Å; E132-R136 PolarHBondContact OE2-NH2 2.95Å; E132-A155 HydrophobicContact CB-CB 4.43Å; E132-A155 HydrophobicContact CG-CB 3.98Å
133A97.2Very high95.9Very high51 Ų5168.9 Ų68.942%0.42137%0.366SS..Hα-helixtrans-62.6-45.717700000111.3R129 D130 C131 R136 S137R129-A133 WeakPolarHBondContact O-CB 3.29Å; R129-A133 PolarHBondContact O-N 2.82Å; D130-A133 PolarHBondContact O-N 3.34Å; C131-A133 VanDerWaalsContact C-N 3.34Å; C131-A133 PolarHBondContact O-N 3.14Å; A133-R136 PolarHBondContact O-N 3.11Å; A133-S137 PolarHBondContact O-N 2.82Å
134R96.7Very high95.3Very high62 Ų6264.8 Ų64.823%0.23435%0.35CS..Hα-helixtrans-59.3-50.3175.4-167.1-171.573.48726.6111.3D130 C131 R136 S137 L138 E158D130-R134 WeakPolarHBondContact O-CB 3.42Å; D130-R134 PolarHBondContact O-N 3.14Å; C131-R134 PolarHBondContact O-N 3.02Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 3.22Å; R134-S137 PolarHBondContact O-N 3.24Å; R134-S137 PolarHBondContact O-OG 3.03Å; R134-L138 HydrophobicContact CG-CD1 4.31Å; R134-L138 WeakPolarHBondContact O-CG 3.29Å; R134-L138 PolarHBondContact O-N 3.48Å; R134-L138 VanDerWaalsContact O-N 3.1Å; R134-E158 IonicContact CZ-OE1 2.69Å; R134-E158 IonicContact CZ-OE2 2.82Å; R134-E158 VanDerWaalsContact CZ-OE2 3.23Å; R134-E158 IonicContact NE-OE1 3.17Å; R134-E158 PolarHBondContact NE-OE1 2.91Å; R134-E158 IonicContact NE-OE2 3.37Å; R134-E158 IonicContact NH1-OE1 2.61Å; R134-E158 IonicContact NH1-OE2 3.14Å; R134-E158 IonicContact NH2-OE1 3.79Å; R134-E158 PolarHBondContact NH2-OE1 2.87Å; R134-E158 VanDerWaalsContact NH2-OE1 3.14Å; R134-E158 IonicContact NH2-OE2 3.07Å; R134-E158 PolarHBondContact NH2-OE2 3.4Å
135W97.3Very high94.7Very high5 Ų569.2 Ų69.22%0.01937%0.367CS..Hα-helixtrans-61.6-35.9179.2-8692000113.2C131 E132 S137 L138 I139 F154 A155 E158 I179 Y183C131-W135 WeakPolarHBondContact O-CB 3.5Å; C131-W135 PolarHBondContact O-N 3.42Å; E132-W135 PolarHBondContact O-N 3.16Å; W135-S137 VanDerWaalsContact C-N 3.28Å; W135-S137 PolarHBondContact O-N 3.47Å; W135-L138 PolarHBondContact O-N 2.95Å; W135-I139 HydrophobicContact CE3-CD1 4.33Å; W135-I139 WeakPolarHBondContact O-CG1 3.42Å; W135-I139 PolarHBondContact O-N 3.42Å; W135-F154 HydrophobicContact CD2-CB 4.04Å; W135-F154 HydrophobicContact CE3-CB 4.04Å; W135-F154 HydrophobicContact CH2-CB 3.59Å; W135-F154 HydrophobicContact CH2-CD1 4.27Å; W135-F154 HydrophobicContact CH2-CG 4.07Å; W135-F154 HydrophobicContact CZ2-CB 3.57Å; W135-F154 HydrophobicContact CZ2-CG 4.39Å; W135-F154 HydrophobicContact CZ3-CB 3.82Å; W135-F154 HydrophobicContact CZ3-CG 4.37Å; W135-A155 HydrophobicContact CB-CB 4.01Å; W135-A155 VanDerWaalsContact CD1-CB 3.48Å; W135-A155 HydrophobicContact CG-CB 3.8Å; W135-E158 PolarHBondContact NE1-OE2 2.81Å; W135-I179 HydrophobicContact CZ2-CG2 3.73Å; W135-Y183 VanDerWaalsContact CH2-CB 3.48Å; W135-Y183 AromaticContact CH2-CD1 3.94Å; W135-Y183 HydrophobicContact CH2-CD1 3.94Å; W135-Y183 AromaticContact CH2-CD2 3.99Å; W135-Y183 HydrophobicContact CH2-CD2 3.99Å; W135-Y183 AromaticContact CH2-CG 3.53Å; W135-Y183 HydrophobicContact CH2-CG 3.53Å; W135-Y183 AromaticContact CZ3-CD1 3.69Å; W135-Y183 HydrophobicContact CZ3-CD1 3.69Å; W135-Y183 AromaticContact CZ3-CD2 3.57Å; W135-Y183 HydrophobicContact CZ3-CD2 3.57Å; W135-Y183 HydrophobicContact CZ3-CE1 4.03Å; W135-Y183 AromaticContact CZ3-CE2 3.91Å; W135-Y183 HydrophobicContact CZ3-CE2 3.91Å; W135-Y183 AromaticContact CZ3-CG 3.44Å; W135-Y183 HydrophobicContact CZ3-CG 3.44Å; W135-Y183 VanDerWaalsContact CZ3-CG 3.44Å
136R94.9Very high94.2Very high161 Ų16165.9 Ų65.961%0.60835%0.35SS*.Hα-helixtrans-62.8-33.8172.8-75.2-179.8-127.9129.3-1.7112.6E132 A133 R134E132-R136 VanDerWaalsContact O-CG 3.3Å; E132-R136 WeakPolarHBondContact O-CG 3.45Å; E132-R136 PolarHBondContact O-N 3.32Å; E132-R136 IonicContact OE2-NH2 3.74Å; E132-R136 PolarHBondContact OE2-NH2 2.95Å; A133-R136 PolarHBondContact O-N 3.11Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 3.22Å
137S94.8Very high93.9Very high95 Ų9563.1 Ų63.166%0.66434%0.335SS*.Hα-helixtrans-78.4-22.9176.8710000114.3A133 R134 W135A133-S137 PolarHBondContact O-N 2.82Å; R134-S137 PolarHBondContact O-N 3.24Å; R134-S137 PolarHBondContact O-OG 3.03Å; W135-S137 VanDerWaalsContact C-N 3.28Å; W135-S137 PolarHBondContact O-N 3.47Å
138L94.3Very high93.5Very high70 Ų7065 Ų6537%0.36634%0.342SS..Hα-helixtrans-81.3-24.1-178.4-75.8172.1000114R134 W135 P140R134-L138 HydrophobicContact CG-CD1 4.31Å; R134-L138 WeakPolarHBondContact O-CG 3.29Å; R134-L138 PolarHBondContact O-N 3.48Å; R134-L138 VanDerWaalsContact O-N 3.1Å; W135-L138 PolarHBondContact O-N 2.95Å; L138-P140 WeakPolarHBondContact O-CD 3.45Å
139I94Very high93.1Very high9 Ų968 Ų685%0.04635%0.349CS..SBendtrans-95.5118.2-175.4-58.5177.3000108.8W135 Y143 V147W135-I139 HydrophobicContact CE3-CD1 4.33Å; W135-I139 WeakPolarHBondContact O-CG1 3.42Å; W135-I139 PolarHBondContact O-N 3.42Å; I139-Y143 HydrophobicContact CG2-CD2 3.96Å; I139-Y143 HydrophobicContact CG2-CG 4.4Å; I139-V147 HydrophobicContact CG2-CG1 4.01Å
140P93.6Very high92.8Very high53 Ų5360.9 Ų60.934%0.34432%0.322SS..  trans-53.6139.7176-27.736.6000112.5L138 D142 Y143 H148L138-P140 WeakPolarHBondContact O-CD 3.45Å; P140-D142 WeakPolarHBondContact CB-OD1 3.45Å; P140-D142 PolarHBondContact O-N 3.33Å; P140-Y143 HydrophobicContact CB-CD1 3.79Å; P140-Y143 HydrophobicContact CB-CE1 3.84Å; P140-Y143 HydrophobicContact CB-CG 4.21Å; P140-Y143 HydrophobicContact CG-CD1 4.15Å; P140-Y143 HydrophobicContact CG-CD2 4.4Å; P140-Y143 HydrophobicContact CG-CE1 3.78Å; P140-Y143 HydrophobicContact CG-CE2 4.06Å; P140-Y143 HydrophobicContact CG-CG 4.46Å; P140-Y143 WeakPolarHBondContact O-CB 3.36Å; P140-Y143 PolarHBondContact O-N 3.33Å; P140-Y143 VanDerWaalsContact O-N 3.13Å; P140-H148 PolarHBondContact O-CE1 3.37Å; P140-H148 VanDerWaalsContact O-CE1 3.29Å; P140-H148 PolarHBondContact O-NE2 3.1Å
141A90.5Very high92.6Very high98 Ų9855.6 Ų55.681%0.8129%0.294SS*.THydrogen-bonded Turntrans-68.7-17.4-173.800000114.1Y143A141-Y143 VanDerWaalsContact C-N 3.34Å
142D89Confident92.2Very high140 Ų14057.6 Ų57.675%0.74931%0.311SS*.THydrogen-bonded Turntrans-85-7.3176.663.9-41000113P140P140-D142 WeakPolarHBondContact CB-OD1 3.45Å; P140-D142 PolarHBondContact O-N 3.33Å
143Y90.2Very high92Very high61 Ų6158.9 Ų58.924%0.23931%0.313CS..SBendtrans-70.5152.8175-75.615.5000111.1I139 P140 A141 V147 H148 L187 T192I139-Y143 HydrophobicContact CG2-CD2 3.96Å; I139-Y143 HydrophobicContact CG2-CG 4.4Å; P140-Y143 HydrophobicContact CB-CD1 3.79Å; P140-Y143 HydrophobicContact CB-CE1 3.84Å; P140-Y143 HydrophobicContact CB-CG 4.21Å; P140-Y143 HydrophobicContact CG-CD1 4.15Å; P140-Y143 HydrophobicContact CG-CD2 4.4Å; P140-Y143 HydrophobicContact CG-CE1 3.78Å; P140-Y143 HydrophobicContact CG-CE2 4.06Å; P140-Y143 HydrophobicContact CG-CG 4.46Å; P140-Y143 WeakPolarHBondContact O-CB 3.36Å; P140-Y143 PolarHBondContact O-N 3.33Å; P140-Y143 VanDerWaalsContact O-N 3.13Å; A141-Y143 VanDerWaalsContact C-N 3.34Å; Y143-V147 HydrophobicContact CD2-CB 4.49Å; Y143-V147 HydrophobicContact CD2-CG1 3.81Å; Y143-H148 PolarHBondContact O-CD2 2.7Å; Y143-H148 PolarHBondContact O-NE2 3.14Å; Y143-L187 HydrophobicContact CD2-CD1 4.46Å; Y143-L187 HydrophobicContact CE2-CD1 4.27Å; Y143-L187 HydrophobicContact CE2-CD2 3.88Å; Y143-T192 WeakPolarHBondContact CA-O 3.3Å; Y143-T192 HydrophobicContact CD1-CG2 4.18Å; Y143-T192 HydrophobicContact CD2-CG2 4.13Å; Y143-T192 HydrophobicContact CE1-CG2 3.65Å; Y143-T192 HydrophobicContact CE2-CG2 3.59Å; Y143-T192 HydrophobicContact CG-CG2 4.4Å
144G85.9Confident91.9Very high11 Ų1156.5 Ų56.511%0.11329%0.293CS..  trans-59.4146.1-179.400000112.3Q146 V147 H148 T192G144-Q146 PolarHBondContact O-N 2.92Å; G144-V147 WeakPolarHBondContact O-CA 2.92Å; G144-V147 WeakPolarHBondContact O-CB 3.5Å; G144-V147 PolarHBondContact O-N 3.09Å; G144-H148 PolarHBondContact O-N 2.94Å; G144-T192 PolarHBondContact N-O 3.17Å
145E86.8Confident91.9Very high112 Ų11253.5 Ų53.552%0.52328%0.282SS..Hα-helixtrans-52.1-29.9178.5-166.2-151.7173.500112.8H148 R149E145-H148 PolarHBondContact O-N 2.93Å; E145-R149 WeakPolarHBondContact O-CG 3.44Å; E145-R149 PolarHBondContact O-N 3Å; E145-R149 IonicContact OE1-CZ 3.78Å; E145-R149 IonicContact OE1-NH1 3.14Å; E145-R149 PolarHBondContact OE1-NH1 2.86Å; E145-R149 IonicContact OE1-NH2 3.23Å; E145-R149 IonicContact OE2-CZ 3.93Å; E145-R149 VanDerWaalsContact OE2-CZ 3.23Å; E145-R149 IonicContact OE2-NH1 3.73Å; E145-R149 PolarHBondContact OE2-NH1 3.25Å; E145-R149 IonicContact OE2-NH2 2.56Å; E145-R149 PolarHBondContact OE2-NH2 3.36Å
146Q87.3Confident91.8Very high6 Ų657.8 Ų57.83%0.02830%0.304CS..Hα-helixtrans-60.7-45173.9-73.6156.69.200112.1V72 G144 R149 V150 F190 N194V72-Q146 HydrophobicContact CG1-CB 3.59Å; V72-Q146 HydrophobicContact CG1-CG 3.81Å; G144-Q146 PolarHBondContact O-N 2.92Å; Q146-R149 PolarHBondContact O-N 3.48Å; Q146-V150 WeakPolarHBondContact O-CG2 3.39Å; Q146-V150 PolarHBondContact O-N 3.21Å; Q146-F190 HydrophobicContact CB-CE1 3.99Å; Q146-F190 HydrophobicContact CB-CZ 3.95Å; Q146-N194 PolarHBondContact NE2-OD1 2.91Å; Q146-N194 VanDerWaalsContact NE2-OD1 3.09Å
147V91.1Very high91.8Very high0 Ų053.7 Ų53.70%029%0.294CS..Hα-helixtrans-64.8-44.2178.5-177.20000110.7I139 Y143 G144 R149 V150 G151 Y183 W186 L187 F190I139-V147 HydrophobicContact CG2-CG1 4.01Å; Y143-V147 HydrophobicContact CD2-CB 4.49Å; Y143-V147 HydrophobicContact CD2-CG1 3.81Å; G144-V147 WeakPolarHBondContact O-CA 2.92Å; G144-V147 WeakPolarHBondContact O-CB 3.5Å; G144-V147 PolarHBondContact O-N 3.09Å; V147-R149 PolarHBondContact O-N 3.13Å; V147-V150 PolarHBondContact O-N 3.01Å; V147-V150 VanDerWaalsContact O-N 3.13Å; V147-G151 PolarHBondContact O-N 2.77Å; V147-Y183 WeakPolarHBondContact CG1-OH 3.43Å; V147-W186 HydrophobicContact CG1-CZ3 4.26Å; V147-W186 HydrophobicContact CG2-CH2 4.38Å; V147-L187 HydrophobicContact CG1-CD1 3.7Å; V147-L187 HydrophobicContact CG2-CD1 4.2Å; V147-F190 HydrophobicContact CG2-CD1 4.13Å; V147-F190 HydrophobicContact CG2-CE1 4.1Å
148H91.2Very high92Very high66 Ų6649.2 Ų49.231%0.30626%0.263SS..Hα-helixtrans-59.7-43173.9-72.7-75.5000112.8P140 Y143 G144 E145 V150 G151 A152P140-H148 PolarHBondContact O-CE1 3.37Å; P140-H148 VanDerWaalsContact O-CE1 3.29Å; P140-H148 PolarHBondContact O-NE2 3.1Å; Y143-H148 PolarHBondContact O-CD2 2.7Å; Y143-H148 PolarHBondContact O-NE2 3.14Å; G144-H148 PolarHBondContact O-N 2.94Å; E145-H148 PolarHBondContact O-N 2.93Å; H148-V150 VanDerWaalsContact C-N 3.28Å; H148-V150 PolarHBondContact O-N 3.47Å; H148-G151 PolarHBondContact O-N 3.3Å; H148-A152 PolarHBondContact O-N 3.46Å
149R88.7Confident92.2Very high104 Ų10445.9 Ų45.939%0.39225%0.245SC..Hα-helixtrans-62.4-35.1175.4-79.8-170.2-73.5-123.4-9.1112.7E145 Q146 V147E145-R149 WeakPolarHBondContact O-CG 3.44Å; E145-R149 PolarHBondContact O-N 3Å; E145-R149 IonicContact OE1-CZ 3.78Å; E145-R149 IonicContact OE1-NH1 3.14Å; E145-R149 PolarHBondContact OE1-NH1 2.86Å; E145-R149 IonicContact OE1-NH2 3.23Å; E145-R149 IonicContact OE2-CZ 3.93Å; E145-R149 VanDerWaalsContact OE2-CZ 3.23Å; E145-R149 IonicContact OE2-NH1 3.73Å; E145-R149 PolarHBondContact OE2-NH1 3.25Å; E145-R149 IonicContact OE2-NH2 2.56Å; E145-R149 PolarHBondContact OE2-NH2 3.36Å; Q146-R149 PolarHBondContact O-N 3.48Å; V147-R149 PolarHBondContact O-N 3.13Å
150V91.4Very high92.3Very high0 Ų047.1 Ų47.10%026%0.257CS..Hα-helixtrans-72.5-35.1177172.10000111.1V72 L75 Q146 V147 H148 A152 R153 F154 W186V72-V150 HydrophobicContact CB-CG2 3.84Å; V72-V150 HydrophobicContact CG1-CG2 3.84Å; L75-V150 HydrophobicContact CD1-CG1 4.03Å; L75-V150 HydrophobicContact CD2-CB 4.34Å; L75-V150 HydrophobicContact CD2-CG1 3.72Å; L75-V150 HydrophobicContact CD2-CG2 3.66Å; Q146-V150 WeakPolarHBondContact O-CG2 3.39Å; Q146-V150 PolarHBondContact O-N 3.21Å; V147-V150 PolarHBondContact O-N 3.01Å; V147-V150 VanDerWaalsContact O-N 3.13Å; H148-V150 VanDerWaalsContact C-N 3.28Å; H148-V150 PolarHBondContact O-N 3.47Å; V150-A152 VanDerWaalsContact C-N 3.27Å; V150-A152 PolarHBondContact O-N 3.41Å; V150-R153 WeakPolarHBondContact O-CA 3.34Å; V150-R153 VanDerWaalsContact O-CB 3.29Å; V150-R153 WeakPolarHBondContact O-CB 3.41Å; V150-R153 PolarHBondContact O-N 3.48Å; V150-F154 HydrophobicContact CG1-CD2 3.57Å; V150-F154 HydrophobicContact CG1-CE2 3.46Å; V150-F154 VanDerWaalsContact CG1-CE2 3.46Å; V150-F154 WeakPolarHBondContact O-CD2 3.43Å; V150-F154 PolarHBondContact O-N 3Å; V150-F154 VanDerWaalsContact O-N 3.12Å; V150-W186 HydrophobicContact CB-CH2 3.63Å; V150-W186 HydrophobicContact CB-CZ2 4.03Å; V150-W186 HydrophobicContact CB-CZ3 4.02Å; V150-W186 HydrophobicContact CG1-CD2 4.13Å; V150-W186 HydrophobicContact CG1-CE3 3.92Å; V150-W186 HydrophobicContact CG1-CH2 3.6Å; V150-W186 HydrophobicContact CG1-CZ2 3.8Å; V150-W186 HydrophobicContact CG1-CZ3 3.65Å; V150-W186 HydrophobicContact CG2-CH2 3.72Å; V150-W186 HydrophobicContact CG2-CZ2 3.7Å
151G93.9Very high92.5Very high1 Ų146.3 Ų46.31%0.0125%0.249CC..Hα-helixtrans-51.3-42.9172.200000114V147 H148 R153 F154 A155V147-G151 PolarHBondContact O-N 2.77Å; H148-G151 PolarHBondContact O-N 3.3Å; G151-R153 PolarHBondContact O-N 2.91Å; G151-F154 PolarHBondContact O-N 3.34Å; G151-A155 PolarHBondContact O-N 2.79Å
152A90.2Very high92.8Very high47 Ų4743 Ų4339%0.38822%0.218SC..Hα-helixtrans-61.9-28.1176.100000113.3H148 V150 I156H148-A152 PolarHBondContact O-N 3.46Å; V150-A152 VanDerWaalsContact C-N 3.27Å; V150-A152 PolarHBondContact O-N 3.41Å; A152-I156 WeakPolarHBondContact O-CG1 3.32Å; A152-I156 PolarHBondContact O-N 2.89Å
153R91.8Very high93.3Very high84 Ų8436.9 Ų36.932%0.31719%0.185SC..Hα-helixtrans-76.7-42.9176.5-58.8169.5173.4-124.9-11.3111.2V72 R73 L75 V150 G151 A155 I156 L157V72-R153 PolarHBondContact O-NE 2.68Å; V72-R153 VanDerWaalsContact O-NE 3.14Å; V72-R153 PolarHBondContact O-NH1 3.48Å; V72-R153 PolarHBondContact O-NH2 2.93Å; R73-R153 VanDerWaalsContact C-NH1 3.28Å; R73-R153 VanDerWaalsContact CA-NH1 3.27Å; R73-R153 PolarHBondContact O-NH1 3.26Å; L75-R153 HydrophobicContact CD1-CB 4.38Å; V150-R153 WeakPolarHBondContact O-CA 3.34Å; V150-R153 VanDerWaalsContact O-CB 3.29Å; V150-R153 WeakPolarHBondContact O-CB 3.41Å; V150-R153 PolarHBondContact O-N 3.48Å; G151-R153 PolarHBondContact O-N 2.91Å; R153-A155 PolarHBondContact O-N 3.34Å; R153-I156 PolarHBondContact O-N 2.93Å; R153-I156 VanDerWaalsContact O-N 3.16Å; R153-L157 WeakPolarHBondContact O-CG 3.44Å; R153-L157 PolarHBondContact O-N 3.11Å
154F95.7Very high93.6Very high1 Ų134.3 Ų34.30%0.00418%0.178CC..Hα-helixtrans-63.6-32.5173.7-81.2-87.9000111.7L75 I77 W135 V150 G151 I156 L157 E158 I179 Y183 W186L75-F154 HydrophobicContact CD1-CD2 4.34Å; L75-F154 HydrophobicContact CD1-CE2 3.79Å; L75-F154 HydrophobicContact CD1-CZ 4.37Å; I77-F154 HydrophobicContact CD1-CE1 4.31Å; I77-F154 HydrophobicContact CD1-CZ 3.94Å; I77-F154 HydrophobicContact CG1-CZ 4.48Å; W135-F154 HydrophobicContact CD2-CB 4.04Å; W135-F154 HydrophobicContact CE3-CB 4.04Å; W135-F154 HydrophobicContact CH2-CB 3.59Å; W135-F154 HydrophobicContact CH2-CD1 4.27Å; W135-F154 HydrophobicContact CH2-CG 4.07Å; W135-F154 HydrophobicContact CZ2-CB 3.57Å; W135-F154 HydrophobicContact CZ2-CG 4.39Å; W135-F154 HydrophobicContact CZ3-CB 3.82Å; W135-F154 HydrophobicContact CZ3-CG 4.37Å; V150-F154 HydrophobicContact CG1-CD2 3.57Å; V150-F154 HydrophobicContact CG1-CE2 3.46Å; V150-F154 VanDerWaalsContact CG1-CE2 3.46Å; V150-F154 WeakPolarHBondContact O-CD2 3.43Å; V150-F154 PolarHBondContact O-N 3Å; V150-F154 VanDerWaalsContact O-N 3.12Å; G151-F154 PolarHBondContact O-N 3.34Å; F154-I156 PolarHBondContact O-N 2.84Å; F154-L157 HydrophobicContact CD1-CD1 4.34Å; F154-L157 PolarHBondContact O-N 3.3Å; F154-E158 WeakPolarHBondContact O-CB 3.29Å; F154-E158 PolarHBondContact O-N 3.46Å; F154-I179 HydrophobicContact CB-CG2 4.24Å; F154-I179 HydrophobicContact CD1-CG2 3.71Å; F154-I179 HydrophobicContact CG-CG2 4.49Å; F154-Y183 HydrophobicContact CD1-CD2 4.44Å; F154-Y183 AromaticContact CD2-CD2 3.64Å; F154-Y183 HydrophobicContact CD2-CD2 3.64Å; F154-Y183 HydrophobicContact CD2-CE2 4.46Å; F154-Y183 HydrophobicContact CD2-CG 4.5Å; F154-Y183 AromaticContact CE2-CD2 3.74Å; F154-Y183 HydrophobicContact CE2-CD2 3.74Å; F154-Y183 HydrophobicContact CG-CD2 4.01Å; F154-Y183 HydrophobicContact CG-CG 4.5Å; F154-Y183 HydrophobicContact CZ-CD2 4.21Å; F154-W186 HydrophobicContact CE2-CD2 4.45Å; F154-W186 HydrophobicContact CE2-CE3 4.4Å; F154-W186 HydrophobicContact CZ-CB 4.28Å
155A96.9Very high94.1Very high0 Ų034.7 Ų34.70%018%0.181CC..Hα-helixtrans-59.5-43.6170.400000113C131 E132 W135 G151 R153 E158 A159C131-A155 HydrophobicContact CB-CB 4.15Å; C131-A155 WeakPolarHBondContact CB-O 3.34Å; E132-A155 HydrophobicContact CB-CB 4.43Å; E132-A155 HydrophobicContact CG-CB 3.98Å; W135-A155 HydrophobicContact CB-CB 4.01Å; W135-A155 VanDerWaalsContact CD1-CB 3.48Å; W135-A155 HydrophobicContact CG-CB 3.8Å; G151-A155 PolarHBondContact O-N 2.79Å; R153-A155 PolarHBondContact O-N 3.34Å; A155-E158 PolarHBondContact O-N 2.87Å; A155-A159 WeakPolarHBondContact O-CB 3.5Å; A155-A159 PolarHBondContact O-N 3.11Å
156I95Very high94.5Very high94 Ų9433 Ų3348%0.48218%0.178SC..Hα-helixtrans-66.4-39.6176-66.6169000111.1A152 R153 F154 A159 A160A152-I156 WeakPolarHBondContact O-CG1 3.32Å; A152-I156 PolarHBondContact O-N 2.89Å; R153-I156 PolarHBondContact O-N 2.93Å; R153-I156 VanDerWaalsContact O-N 3.16Å; F154-I156 PolarHBondContact O-N 2.84Å; I156-A159 PolarHBondContact O-N 3.24Å; I156-A160 VanDerWaalsContact O-CB 3.32Å; I156-A160 WeakPolarHBondContact O-CB 3.35Å; I156-A160 PolarHBondContact O-N 3.19Å
157L95.7Very high95Very high75 Ų7535.5 Ų35.539%0.39319%0.194SC..Hα-helixtrans-64.1-40.9176.9-66.5174.6000111.8R153 F154 A160 L161 I179R153-L157 WeakPolarHBondContact O-CG 3.44Å; R153-L157 PolarHBondContact O-N 3.11Å; F154-L157 HydrophobicContact CD1-CD1 4.34Å; F154-L157 PolarHBondContact O-N 3.3Å; L157-A160 PolarHBondContact O-N 3.27Å; L157-L161 WeakPolarHBondContact O-CB 3.32Å; L157-L161 PolarHBondContact O-N 2.93Å; L157-I179 HydrophobicContact CB-CD1 4.1Å
158E98.1Very high95.1Very high2 Ų238.6 Ų38.61%0.00921%0.213CC..Hα-helixtrans-63.9-49.2174.2-174.4170.5125.700112.6R134 W135 F154 A155 A160 L161 L162 R176 I179R134-E158 IonicContact CZ-OE1 2.69Å; R134-E158 IonicContact CZ-OE2 2.82Å; R134-E158 VanDerWaalsContact CZ-OE2 3.23Å; R134-E158 IonicContact NE-OE1 3.17Å; R134-E158 PolarHBondContact NE-OE1 2.91Å; R134-E158 IonicContact NE-OE2 3.37Å; R134-E158 IonicContact NH1-OE1 2.61Å; R134-E158 IonicContact NH1-OE2 3.14Å; R134-E158 IonicContact NH2-OE1 3.79Å; R134-E158 PolarHBondContact NH2-OE1 2.87Å; R134-E158 VanDerWaalsContact NH2-OE1 3.14Å; R134-E158 IonicContact NH2-OE2 3.07Å; R134-E158 PolarHBondContact NH2-OE2 3.4Å; W135-E158 PolarHBondContact NE1-OE2 2.81Å; F154-E158 WeakPolarHBondContact O-CB 3.29Å; F154-E158 PolarHBondContact O-N 3.46Å; A155-E158 PolarHBondContact O-N 2.87Å; E158-A160 VanDerWaalsContact C-N 3.25Å; E158-A160 PolarHBondContact O-N 3.25Å; E158-L161 PolarHBondContact O-N 3.23Å; E158-L161 VanDerWaalsContact O-N 3.08Å; E158-L162 HydrophobicContact CG-CD1 4.04Å; E158-L162 HydrophobicContact CG-CG 4.36Å; E158-L162 WeakPolarHBondContact O-CG 3.22Å; E158-L162 PolarHBondContact O-N 3.25Å; E158-R176 HydrophobicContact CG-CG 4.32Å; E158-I179 HydrophobicContact CB-CB 4.42Å; E158-I179 HydrophobicContact CB-CG1 4.22Å; E158-I179 HydrophobicContact CB-CG2 4.18Å
159A98.1Very high95.4Very high0 Ų038.7 Ų38.70%023%0.232CC..Hα-helixtrans-58-42.2176.700000111.2T127 V128 C131 A155 I156 L161 L163T127-A159 HydrophobicContact CG2-CB 4.09Å; V128-A159 HydrophobicContact CB-CB 4.31Å; V128-A159 HydrophobicContact CG2-CB 3.63Å; C131-A159 HydrophobicContact CB-CB 4.22Å; A155-A159 WeakPolarHBondContact O-CB 3.5Å; A155-A159 PolarHBondContact O-N 3.11Å; I156-A159 PolarHBondContact O-N 3.24Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 2.89Å; A159-L163 WeakPolarHBondContact O-CB 3.33Å; A159-L163 WeakPolarHBondContact O-CD1 3.49Å; A159-L163 WeakPolarHBondContact O-CG 3.39Å; A159-L163 PolarHBondContact O-N 3.12Å
160A96.9Very high95.7Very high34 Ų3439.8 Ų39.828%0.28124%0.236SC..Hα-helixtrans-63-39.7176.400000112.4W113 I156 L157 E158 G164W113-A160 HydrophobicContact CH2-CB 4.13Å; W113-A160 HydrophobicContact CZ2-CB 4.14Å; I156-A160 VanDerWaalsContact O-CB 3.32Å; I156-A160 WeakPolarHBondContact O-CB 3.35Å; I156-A160 PolarHBondContact O-N 3.19Å; L157-A160 PolarHBondContact O-N 3.27Å; E158-A160 VanDerWaalsContact C-N 3.25Å; E158-A160 PolarHBondContact O-N 3.25Å; A160-G164 PolarHBondContact O-N 3.14Å
161L97.3Very high96Very high36 Ų3643.8 Ų43.819%0.18826%0.257CS..Hα-helixtrans-70.6-43.1179.2-169.759.2000111.8L157 E158 A159 G164 G165 W170 C175 A178 I179L157-L161 WeakPolarHBondContact O-CB 3.32Å; L157-L161 PolarHBondContact O-N 2.93Å; E158-L161 PolarHBondContact O-N 3.23Å; E158-L161 VanDerWaalsContact O-N 3.08Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 2.89Å; L161-G164 CarbonylContact O-C 3.54Å; L161-G164 WeakPolarHBondContact O-CA 3.39Å; L161-G164 PolarHBondContact O-N 3.13Å; L161-G164 VanDerWaalsContact O-N 3.1Å; L161-G165 PolarHBondContact O-N 3.23Å; L161-W170 HydrophobicContact CD1-CE3 4.21Å; L161-W170 HydrophobicContact CD1-CZ3 4.44Å; L161-W170 HydrophobicContact CD2-CE3 4.24Å; L161-W170 HydrophobicContact CD2-CZ3 4.19Å; L161-W170 HydrophobicContact CG-CE3 4.47Å; L161-C175 HydrophobicContact CB-CB 4.4Å; L161-C175 HydrophobicContact CD2-CB 3.94Å; L161-C175 HydrophobicContact CG-CB 3.88Å; L161-A178 HydrophobicContact CD2-CB 4.32Å; L161-I179 HydrophobicContact CD2-CD1 3.9Å; L161-I179 HydrophobicContact CD2-CG1 3.9Å
162L98.2Very high96.2Very high29 Ų2948.2 Ų48.215%0.15228%0.281CS..Hα-helixtrans-58.7-51.5174-69.9171.9000111.5T127 E158 G164 G165 D172 C175T127-L162 HydrophobicContact CG2-CB 4.36Å; T127-L162 HydrophobicContact CG2-CD1 4.23Å; E158-L162 HydrophobicContact CG-CD1 4.04Å; E158-L162 HydrophobicContact CG-CG 4.36Å; E158-L162 WeakPolarHBondContact O-CG 3.22Å; E158-L162 PolarHBondContact O-N 3.25Å; L162-G164 PolarHBondContact O-N 3.4Å; L162-G165 PolarHBondContact O-N 2.92Å; L162-D172 HydrophobicContact CD2-CB 3.98Å; L162-C175 HydrophobicContact CD2-CB 3.67Å; L162-C175 HydrophobicContact CG-CB 4.24Å
163L98Very high96.6Very high11 Ų1150.1 Ų50.16%0.05828%0.282CS..Hα-helixtrans-67.4-20.6176.8-61.4166.8000112.1W113 W116 L117 Q123 A124 T127 A159 G165W113-L163 PolarHBondContact NE1-O 3.46Å; W116-L163 HydrophobicContact CH2-CD2 3.84Å; W116-L163 HydrophobicContact CZ3-CB 4.17Å; W116-L163 HydrophobicContact CZ3-CD2 3.82Å; L117-L163 HydrophobicContact CD2-CD1 4.19Å; Q123-L163 HydrophobicContact CG-CD2 4.44Å; A124-L163 HydrophobicContact CB-CD1 3.8Å; T127-L163 HydrophobicContact CG2-CD1 4.38Å; T127-L163 HydrophobicContact CG2-CD2 4.17Å; T127-L163 HydrophobicContact CG2-CG 4.04Å; A159-L163 WeakPolarHBondContact O-CB 3.33Å; A159-L163 WeakPolarHBondContact O-CD1 3.49Å; A159-L163 WeakPolarHBondContact O-CG 3.39Å; A159-L163 PolarHBondContact O-N 3.12Å; L163-G165 VanDerWaalsContact C-N 3.25Å
164G97Very high96.8Very high8 Ų849 Ų498%0.08228%0.284CS..THydrogen-bonded Turntrans-76.2-8.3172.800000113.7A160 L161 L162 V166 V167 T168A160-G164 PolarHBondContact O-N 3.14Å; L161-G164 CarbonylContact O-C 3.54Å; L161-G164 WeakPolarHBondContact O-CA 3.39Å; L161-G164 PolarHBondContact O-N 3.13Å; L161-G164 VanDerWaalsContact O-N 3.1Å; L162-G164 PolarHBondContact O-N 3.4Å; G164-V166 PolarHBondContact O-N 3Å; G164-V166 VanDerWaalsContact O-N 3.13Å; G164-V167 PolarHBondContact O-N 2.89Å; G164-T168 PolarHBondContact O-N 3.14Å; G164-T168 PolarHBondContact O-OG1 3.23Å
165G96.4Very high96.9Very high18 Ų1849 Ų4919%0.18628%0.284CS..Hα-helixtrans-53.8-30.4176.200000113.2L161 L162 L163 V167 T168 G169L161-G165 PolarHBondContact O-N 3.23Å; L162-G165 PolarHBondContact O-N 2.92Å; L163-G165 VanDerWaalsContact C-N 3.25Å; G165-V167 PolarHBondContact O-N 2.56Å; G165-T168 WeakPolarHBondContact CA-OG1 3.42Å; G165-G169 VanDerWaalsContact O-CA 3.31Å; G165-G169 WeakPolarHBondContact O-CA 3.45Å; G165-G169 PolarHBondContact O-N 2.89Å
166V96Very high96.9Very high76 Ų7651.8 Ų51.846%0.46130%0.295SS..Hα-helixtrans-65.6-18.9176.4-54.50000114.1W116 G164W116-V166 HydrophobicContact CB-CG2 4.27Å; W116-V166 HydrophobicContact CD2-CG1 4.16Å; W116-V166 HydrophobicContact CD2-CG2 4.04Å; W116-V166 HydrophobicContact CG-CB 4.5Å; W116-V166 HydrophobicContact CG-CG1 4.41Å; W116-V166 HydrophobicContact CG-CG2 3.87Å; W116-V166 HydrophobicContact CZ2-CG1 4.05Å; G164-V166 PolarHBondContact O-N 3Å; G164-V166 VanDerWaalsContact O-N 3.13Å
167V96.5Very high97Very high59 Ų5951.3 Ų51.336%0.35829%0.293SS..Hα-helixtrans-108.1-41.8176.7-1790000111.2A109 E112 W113 G164 G165A109-V167 HydrophobicContact CB-CG1 3.75Å; E112-V167 HydrophobicContact CB-CG2 4.42Å; W113-V167 HydrophobicContact CB-CG2 4.06Å; G164-V167 PolarHBondContact O-N 2.89Å; G165-V167 PolarHBondContact O-N 2.56Å
168T94.9Very high97Very high66 Ų6649.2 Ų49.241%0.40529%0.287SS..Hα-helixtrans-84.4-24.9-173.659.60000113.3G164 G165 W170G164-T168 PolarHBondContact O-N 3.14Å; G164-T168 PolarHBondContact O-OG1 3.23Å; G165-T168 WeakPolarHBondContact CA-OG1 3.42Å; T168-W170 PolarHBondContact O-N 2.73Å; T168-W170 PolarHBondContact OG1-N 3.47Å
169G96.2Very high96.9Very high68 Ų6850.1 Ų50.170%0.70129%0.291SS*.  trans70.19.1-171.100000114.3G165G165-G169 VanDerWaalsContact O-CA 3.31Å; G165-G169 WeakPolarHBondContact O-CA 3.45Å; G165-G169 PolarHBondContact O-N 2.89Å
170W96.5Very high96.8Very high126 Ų12653 Ų5348%0.47731%0.305SS..  trans-73.2140-179.9-73.220.8000110.8L161 T168 T174 A178L161-W170 HydrophobicContact CD1-CE3 4.21Å; L161-W170 HydrophobicContact CD1-CZ3 4.44Å; L161-W170 HydrophobicContact CD2-CE3 4.24Å; L161-W170 HydrophobicContact CD2-CZ3 4.19Å; L161-W170 HydrophobicContact CG-CE3 4.47Å; T168-W170 PolarHBondContact O-N 2.73Å; T168-W170 PolarHBondContact OG1-N 3.47Å; W170-T174 HydrophobicContact CD2-CG2 4.13Å; W170-T174 HydrophobicContact CE3-CG2 3.82Å; W170-T174 HydrophobicContact CZ3-CG2 4.25Å; W170-A178 HydrophobicContact CZ3-CB 4.1Å
171D97.7Very high96.7Very high85 Ų8556.9 Ų56.946%0.45532%0.317SS..  trans-76.6159.2172.671.190.4000111.5Q173 T174 C175D171-Q173 VanDerWaalsContact C-N 3.25Å; D171-Q173 PolarHBondContact O-N 3.49Å; D171-Q173 WeakPolarHBondContact OD1-CA 3.29Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.28Å; D171-Q173 PolarHBondContact OD1-N 3.33Å; D171-T174 PolarHBondContact O-N 3.49Å; D171-T174 PolarHBondContact OD1-N 3.36Å; D171-T174 PolarHBondContact OD1-OG1 2.95Å; D171-T174 VanDerWaalsContact OD2-CB 3.27Å; D171-T174 WeakPolarHBondContact OD2-CB 3.16Å; D171-T174 PolarHBondContact OD2-OG1 3.33Å; D171-C175 PolarHBondContact O-N 2.91Å; D171-C175 PolarHBondContact O-SG 3.08Å
172D97.5Very high96.6Very high93 Ų9357.1 Ų57.150%0.49732%0.321SS..Hα-helixtrans-54.6-37.2-178-8225.4000114.1L162 R176L162-D172 HydrophobicContact CD2-CB 3.98Å; D172-R176 WeakPolarHBondContact O-CG 2.86Å; D172-R176 PolarHBondContact O-N 2.9Å; D172-R176 VanDerWaalsContact O-N 3.14Å; D172-R176 IonicContact OD2-NH1 2.8Å
173Q97.7Very high96.5Very high88 Ų8856.3 Ų56.341%0.41132%0.316SS..Hα-helixtrans-75.7-44.4-177.4-169.757.938.900110.9D171 C175 R176 D177D171-Q173 VanDerWaalsContact C-N 3.25Å; D171-Q173 PolarHBondContact O-N 3.49Å; D171-Q173 WeakPolarHBondContact OD1-CA 3.29Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.28Å; D171-Q173 PolarHBondContact OD1-N 3.33Å; Q173-C175 PolarHBondContact O-N 3.3Å; Q173-R176 PolarHBondContact O-N 3.42Å; Q173-R176 VanDerWaalsContact O-N 3.11Å; Q173-D177 PolarHBondContact NE2-OD1 3.08Å; Q173-D177 WeakPolarHBondContact O-CB 3.25Å; Q173-D177 VanDerWaalsContact O-CG 3.3Å; Q173-D177 PolarHBondContact O-N 2.78Å
174T96.6Very high96.3Very high59 Ų5959.2 Ų59.236%0.36233%0.332SS..Hα-helixtrans-56.5-40.4173.2-63.10000111.3W170 D171 A178W170-T174 HydrophobicContact CD2-CG2 4.13Å; W170-T174 HydrophobicContact CE3-CG2 3.82Å; W170-T174 HydrophobicContact CZ3-CG2 4.25Å; D171-T174 PolarHBondContact O-N 3.49Å; D171-T174 PolarHBondContact OD1-N 3.36Å; D171-T174 PolarHBondContact OD1-OG1 2.95Å; D171-T174 VanDerWaalsContact OD2-CB 3.27Å; D171-T174 WeakPolarHBondContact OD2-CB 3.16Å; D171-T174 PolarHBondContact OD2-OG1 3.33Å; T174-A178 WeakPolarHBondContact O-CB 3.45Å; T174-A178 PolarHBondContact O-N 3.49Å; T174-A178 VanDerWaalsContact O-N 3.08Å
175C97.5Very high96.1Very high1 Ų159.6 Ų59.61%0.00734%0.335CS..Hα-helixtrans-59.4-50.8174.6-64.20000111.9L161 L162 D171 Q173 A178 I179L161-C175 HydrophobicContact CB-CB 4.4Å; L161-C175 HydrophobicContact CD2-CB 3.94Å; L161-C175 HydrophobicContact CG-CB 3.88Å; L162-C175 HydrophobicContact CD2-CB 3.67Å; L162-C175 HydrophobicContact CG-CB 4.24Å; D171-C175 PolarHBondContact O-N 2.91Å; D171-C175 PolarHBondContact O-SG 3.08Å; Q173-C175 PolarHBondContact O-N 3.3Å; C175-A178 PolarHBondContact O-N 3.23Å; C175-I179 WeakPolarHBondContact O-CG1 3.43Å; C175-I179 PolarHBondContact O-N 3.29Å
176R97.6Very high95.9Very high60 Ų6059 Ų5923%0.22633%0.327CS..Hα-helixtrans-62.1-45.1179.8-74.7-175.1-71.1-90.5-0.5112.2E158 D172 Q173 A178 I179 Q180E158-R176 HydrophobicContact CG-CG 4.32Å; D172-R176 WeakPolarHBondContact O-CG 2.86Å; D172-R176 PolarHBondContact O-N 2.9Å; D172-R176 VanDerWaalsContact O-N 3.14Å; D172-R176 IonicContact OD2-NH1 2.8Å; Q173-R176 PolarHBondContact O-N 3.42Å; Q173-R176 VanDerWaalsContact O-N 3.11Å; R176-A178 VanDerWaalsContact C-N 3.34Å; R176-A178 PolarHBondContact O-N 3.09Å; R176-I179 PolarHBondContact O-N 2.96Å; R176-Q180 WeakPolarHBondContact O-CB 3.39Å; R176-Q180 PolarHBondContact O-N 3.33Å
177D96.6Very high95.8Very high83 Ų8356.5 Ų56.544%0.44431%0.311SS..Hα-helixtrans-63.2-41-177.9-69.5-11.9000111.4Q173 Q180 H181Q173-D177 PolarHBondContact NE2-OD1 3.08Å; Q173-D177 WeakPolarHBondContact O-CB 3.25Å; Q173-D177 VanDerWaalsContact O-CG 3.3Å; Q173-D177 PolarHBondContact O-N 2.78Å; D177-Q180 PolarHBondContact O-N 2.77Å; D177-H181 VanDerWaalsContact O-CB 3.22Å; D177-H181 WeakPolarHBondContact O-CB 3.47Å; D177-H181 PolarHBondContact O-N 3.41Å
178A95.1Very high95.5Very high32 Ų3262.9 Ų62.926%0.26433%0.328SS..Hα-helixtrans-63.2-43.5178.200000112.6L161 W170 T174 C175 R176 S182L161-A178 HydrophobicContact CD2-CB 4.32Å; W170-A178 HydrophobicContact CZ3-CB 4.1Å; T174-A178 WeakPolarHBondContact O-CB 3.45Å; T174-A178 PolarHBondContact O-N 3.49Å; T174-A178 VanDerWaalsContact O-N 3.08Å; C175-A178 PolarHBondContact O-N 3.23Å; R176-A178 VanDerWaalsContact C-N 3.34Å; R176-A178 PolarHBondContact O-N 3.09Å; A178-S182 PolarHBondContact O-N 2.82Å; A178-S182 PolarHBondContact O-OG 3.41Å
179I96.7Very high95.1Very high20 Ų2066 Ų6610%0.10334%0.338CS..Hα-helixtrans-71-42.2178.9-59.7-56.9000110.8W135 F154 L157 E158 L161 C175 R176 S182 Y183W135-I179 HydrophobicContact CZ2-CG2 3.73Å; F154-I179 HydrophobicContact CB-CG2 4.24Å; F154-I179 HydrophobicContact CD1-CG2 3.71Å; F154-I179 HydrophobicContact CG-CG2 4.49Å; L157-I179 HydrophobicContact CB-CD1 4.1Å; E158-I179 HydrophobicContact CB-CB 4.42Å; E158-I179 HydrophobicContact CB-CG1 4.22Å; E158-I179 HydrophobicContact CB-CG2 4.18Å; L161-I179 HydrophobicContact CD2-CD1 3.9Å; L161-I179 HydrophobicContact CD2-CG1 3.9Å; C175-I179 WeakPolarHBondContact O-CG1 3.43Å; C175-I179 PolarHBondContact O-N 3.29Å; R176-I179 PolarHBondContact O-N 2.96Å; I179-S182 PolarHBondContact O-N 3.44Å; I179-Y183 PolarHBondContact O-N 3.46Å
180Q96.2Very high94.6Very high61 Ų6163.5 Ų63.529%0.28531%0.308SS..Hα-helixtrans-66.7-37.5178.3-169.7165.314.100112.1R176 D177 S182 Y183 N184R176-Q180 WeakPolarHBondContact O-CB 3.39Å; R176-Q180 PolarHBondContact O-N 3.33Å; D177-Q180 PolarHBondContact O-N 2.77Å; Q180-S182 VanDerWaalsContact C-N 3.35Å; Q180-S182 PolarHBondContact O-N 3.28Å; Q180-Y183 PolarHBondContact O-N 2.87Å; Q180-N184 WeakPolarHBondContact O-CB 3.49Å; Q180-N184 PolarHBondContact O-N 3.02Å; Q180-N184 PolarHBondContact O-ND2 3.48Å
181H95.2Very high94.1Very high116 Ų11658.6 Ų58.654%0.53730%0.296SS..Hα-helixtrans-57.3-48.4171.7178.882.8000111.4D177 Y183 N184 A185D177-H181 VanDerWaalsContact O-CB 3.22Å; D177-H181 WeakPolarHBondContact O-CB 3.47Å; D177-H181 PolarHBondContact O-N 3.41Å; H181-Y183 VanDerWaalsContact C-N 3.34Å; H181-Y183 PolarHBondContact O-N 3.1Å; H181-N184 PolarHBondContact O-N 3.35Å; H181-A185 PolarHBondContact O-N 3.49Å
182S95Very high93.6Very high40 Ų4057.5 Ų57.528%0.2829%0.293SS..Hα-helixtrans-63.9-39.3179.3-57.10000112.1A178 I179 Q180 A185 W186A178-S182 PolarHBondContact O-N 2.82Å; A178-S182 PolarHBondContact O-OG 3.41Å; I179-S182 PolarHBondContact O-N 3.44Å; Q180-S182 VanDerWaalsContact C-N 3.35Å; Q180-S182 PolarHBondContact O-N 3.28Å; S182-A185 PolarHBondContact O-N 2.8Å; S182-W186 PolarHBondContact O-N 2.97Å
183Y95.3Very high92.8Very high12 Ų1254.1 Ų54.15%0.04728%0.28CS..Hα-helixtrans-64.1-45.4174.4172.7-101.7000112.3W135 V147 F154 I179 Q180 H181 A185 W186 L187W135-Y183 VanDerWaalsContact CH2-CB 3.48Å; W135-Y183 AromaticContact CH2-CD1 3.94Å; W135-Y183 HydrophobicContact CH2-CD1 3.94Å; W135-Y183 AromaticContact CH2-CD2 3.99Å; W135-Y183 HydrophobicContact CH2-CD2 3.99Å; W135-Y183 AromaticContact CH2-CG 3.53Å; W135-Y183 HydrophobicContact CH2-CG 3.53Å; W135-Y183 AromaticContact CZ3-CD1 3.69Å; W135-Y183 HydrophobicContact CZ3-CD1 3.69Å; W135-Y183 AromaticContact CZ3-CD2 3.57Å; W135-Y183 HydrophobicContact CZ3-CD2 3.57Å; W135-Y183 HydrophobicContact CZ3-CE1 4.03Å; W135-Y183 AromaticContact CZ3-CE2 3.91Å; W135-Y183 HydrophobicContact CZ3-CE2 3.91Å; W135-Y183 AromaticContact CZ3-CG 3.44Å; W135-Y183 HydrophobicContact CZ3-CG 3.44Å; W135-Y183 VanDerWaalsContact CZ3-CG 3.44Å; V147-Y183 WeakPolarHBondContact CG1-OH 3.43Å; F154-Y183 HydrophobicContact CD1-CD2 4.44Å; F154-Y183 AromaticContact CD2-CD2 3.64Å; F154-Y183 HydrophobicContact CD2-CD2 3.64Å; F154-Y183 HydrophobicContact CD2-CE2 4.46Å; F154-Y183 HydrophobicContact CD2-CG 4.5Å; F154-Y183 AromaticContact CE2-CD2 3.74Å; F154-Y183 HydrophobicContact CE2-CD2 3.74Å; F154-Y183 HydrophobicContact CG-CD2 4.01Å; F154-Y183 HydrophobicContact CG-CG 4.5Å; F154-Y183 HydrophobicContact CZ-CD2 4.21Å; I179-Y183 PolarHBondContact O-N 3.46Å; Q180-Y183 PolarHBondContact O-N 2.87Å; H181-Y183 VanDerWaalsContact C-N 3.34Å; H181-Y183 PolarHBondContact O-N 3.1Å; Y183-A185 VanDerWaalsContact C-N 3.28Å; Y183-A185 PolarHBondContact O-N 3.07Å; Y183-W186 AromaticContact CD2-CE3 3.97Å; Y183-W186 HydrophobicContact CD2-CE3 3.97Å; Y183-W186 HydrophobicContact CD2-CZ3 4.33Å; Y183-W186 AromaticContact CE2-CE3 3.89Å; Y183-W186 HydrophobicContact CE2-CE3 3.89Å; Y183-W186 AromaticContact CE2-CZ3 3.79Å; Y183-W186 HydrophobicContact CE2-CZ3 3.79Å; Y183-W186 PolarHBondContact O-N 3.35Å; Y183-L187 HydrophobicContact CE1-CB 4.45Å; Y183-L187 HydrophobicContact CE1-CD2 3.99Å; Y183-L187 VanDerWaalsContact O-CB 3.32Å; Y183-L187 WeakPolarHBondContact O-CB 3.49Å; Y183-L187 PolarHBondContact O-N 2.66Å
184N94.3Very high92.1Very high73 Ų7351.4 Ų51.439%0.3927%0.268SS..Hα-helixtrans-64-37.3179.4-70.2-19000111.6Q180 H181 L187 R188Q180-N184 WeakPolarHBondContact O-CB 3.49Å; Q180-N184 PolarHBondContact O-N 3.02Å; Q180-N184 PolarHBondContact O-ND2 3.48Å; H181-N184 PolarHBondContact O-N 3.35Å; N184-L187 PolarHBondContact O-N 3.48Å; N184-R188 PolarHBondContact O-N 3.43Å; N184-R188 VanDerWaalsContact O-N 3.08Å
185A93.4Very high91.3Very high16 Ų1650.4 Ų50.413%0.13226%0.259CS..Hα-helixtrans-64-45.7173.900000111.3P78 H181 S182 Y183 R188P78-A185 HydrophobicContact CG-CB 4.01Å; H181-A185 PolarHBondContact O-N 3.49Å; S182-A185 PolarHBondContact O-N 2.8Å; Y183-A185 VanDerWaalsContact C-N 3.28Å; Y183-A185 PolarHBondContact O-N 3.07Å; A185-R188 PolarHBondContact O-N 2.82Å
186W92.6Very high90.6Very high6 Ų653.2 Ų53.22%0.02327%0.272CS..Hα-helixtrans-61.9-45.1174171.579.8000112.7L75 I77 V147 V150 F154 S182 Y183 R188 E189 F190L75-W186 HydrophobicContact CD2-CZ2 4.5Å; I77-W186 HydrophobicContact CG1-CB 4.45Å; V147-W186 HydrophobicContact CG1-CZ3 4.26Å; V147-W186 HydrophobicContact CG2-CH2 4.38Å; V150-W186 HydrophobicContact CB-CH2 3.63Å; V150-W186 HydrophobicContact CB-CZ2 4.03Å; V150-W186 HydrophobicContact CB-CZ3 4.02Å; V150-W186 HydrophobicContact CG1-CD2 4.13Å; V150-W186 HydrophobicContact CG1-CE3 3.92Å; V150-W186 HydrophobicContact CG1-CH2 3.6Å; V150-W186 HydrophobicContact CG1-CZ2 3.8Å; V150-W186 HydrophobicContact CG1-CZ3 3.65Å; V150-W186 HydrophobicContact CG2-CH2 3.72Å; V150-W186 HydrophobicContact CG2-CZ2 3.7Å; F154-W186 HydrophobicContact CE2-CD2 4.45Å; F154-W186 HydrophobicContact CE2-CE3 4.4Å; F154-W186 HydrophobicContact CZ-CB 4.28Å; S182-W186 PolarHBondContact O-N 2.97Å; Y183-W186 AromaticContact CD2-CE3 3.97Å; Y183-W186 HydrophobicContact CD2-CE3 3.97Å; Y183-W186 HydrophobicContact CD2-CZ3 4.33Å; Y183-W186 AromaticContact CE2-CE3 3.89Å; Y183-W186 HydrophobicContact CE2-CE3 3.89Å; Y183-W186 AromaticContact CE2-CZ3 3.79Å; Y183-W186 HydrophobicContact CE2-CZ3 3.79Å; Y183-W186 PolarHBondContact O-N 3.35Å; W186-R188 VanDerWaalsContact C-N 3.28Å; W186-R188 PolarHBondContact O-N 2.95Å; W186-E189 PolarHBondContact O-N 3.23Å; W186-F190 HydrophobicContact CD2-CB 4.22Å; W186-F190 AromaticContact CE2-CG 3.88Å; W186-F190 HydrophobicContact CH2-CB 4.11Å; W186-F190 AromaticContact CH2-CD1 3.54Å; W186-F190 HydrophobicContact CH2-CD1 3.54Å; W186-F190 HydrophobicContact CH2-CE1 4.09Å; W186-F190 AromaticContact CH2-CG 3.79Å; W186-F190 HydrophobicContact CH2-CG 3.79Å; W186-F190 HydrophobicContact CZ2-CB 3.68Å; W186-F190 AromaticContact CZ2-CD1 3.56Å; W186-F190 HydrophobicContact CZ2-CD1 3.56Å; W186-F190 AromaticContact CZ2-CD2 3.69Å; W186-F190 HydrophobicContact CZ2-CD2 3.69Å; W186-F190 HydrophobicContact CZ2-CE1 4.11Å; W186-F190 HydrophobicContact CZ2-CE2 4.21Å; W186-F190 AromaticContact CZ2-CG 3.33Å; W186-F190 HydrophobicContact CZ2-CG 3.33Å; W186-F190 HydrophobicContact CZ2-CZ 4.41Å; W186-F190 HydrophobicContact CZ3-CD1 4.45Å; W186-F190 WeakPolarHBondContact O-CB 3.44Å; W186-F190 PolarHBondContact O-N 2.95Å
187L92.5Very high90.2Very high23 Ų2353.7 Ų53.712%0.1228%0.277CS..Hα-helixtrans-64.4-32.9-177.6-175.170.9000111.8Y143 V147 Y183 N184 G191 T192Y143-L187 HydrophobicContact CD2-CD1 4.46Å; Y143-L187 HydrophobicContact CE2-CD1 4.27Å; Y143-L187 HydrophobicContact CE2-CD2 3.88Å; V147-L187 HydrophobicContact CG1-CD1 3.7Å; V147-L187 HydrophobicContact CG2-CD1 4.2Å; Y183-L187 HydrophobicContact CE1-CB 4.45Å; Y183-L187 HydrophobicContact CE1-CD2 3.99Å; Y183-L187 VanDerWaalsContact O-CB 3.32Å; Y183-L187 WeakPolarHBondContact O-CB 3.49Å; Y183-L187 PolarHBondContact O-N 2.66Å; N184-L187 PolarHBondContact O-N 3.48Å; L187-G191 VanDerWaalsContact O-CA 3.29Å; L187-G191 WeakPolarHBondContact O-CA 3.44Å; L187-G191 PolarHBondContact O-N 2.87Å; L187-T192 HydrophobicContact CD1-CG2 4.35Å
188R90.6Very high89.8Confident192 Ų19252.9 Ų52.973%0.72527%0.27SS*.Hα-helixtrans-63.1-42.1176.4-172.5-179.6-64.1135.11112.1N184 A185 W186N184-R188 PolarHBondContact O-N 3.43Å; N184-R188 VanDerWaalsContact O-N 3.08Å; A185-R188 PolarHBondContact O-N 2.82Å; W186-R188 VanDerWaalsContact C-N 3.28Å; W186-R188 PolarHBondContact O-N 2.95Å
189E86.4Confident89.4Confident131 Ų13152.8 Ų52.861%0.61226%0.264SS*.Hα-helixtrans-78.9-41.6178.9-60.6-57.2146.600111.8P78 W186P78-E189 HydrophobicContact CG-CG 3.9Å; W186-E189 PolarHBondContact O-N 3.23Å
190F85.6Confident89.3Confident17 Ų1751.9 Ų51.98%0.07526%0.259CS..Hα-helixtrans-72.6-33.4-179.7-169.6-97.2000112.1L71 V72 Q146 V147 W186 K195L71-F190 HydrophobicContact CB-CE2 4.26Å; V72-F190 HydrophobicContact CG1-CZ 4.21Å; Q146-F190 HydrophobicContact CB-CE1 3.99Å; Q146-F190 HydrophobicContact CB-CZ 3.95Å; V147-F190 HydrophobicContact CG2-CD1 4.13Å; V147-F190 HydrophobicContact CG2-CE1 4.1Å; W186-F190 HydrophobicContact CD2-CB 4.22Å; W186-F190 AromaticContact CE2-CG 3.88Å; W186-F190 HydrophobicContact CH2-CB 4.11Å; W186-F190 AromaticContact CH2-CD1 3.54Å; W186-F190 HydrophobicContact CH2-CD1 3.54Å; W186-F190 HydrophobicContact CH2-CE1 4.09Å; W186-F190 AromaticContact CH2-CG 3.79Å; W186-F190 HydrophobicContact CH2-CG 3.79Å; W186-F190 HydrophobicContact CZ2-CB 3.68Å; W186-F190 AromaticContact CZ2-CD1 3.56Å; W186-F190 HydrophobicContact CZ2-CD1 3.56Å; W186-F190 AromaticContact CZ2-CD2 3.69Å; W186-F190 HydrophobicContact CZ2-CD2 3.69Å; W186-F190 HydrophobicContact CZ2-CE1 4.11Å; W186-F190 HydrophobicContact CZ2-CE2 4.21Å; W186-F190 AromaticContact CZ2-CG 3.33Å; W186-F190 HydrophobicContact CZ2-CG 3.33Å; W186-F190 HydrophobicContact CZ2-CZ 4.41Å; W186-F190 HydrophobicContact CZ3-CD1 4.45Å; W186-F190 WeakPolarHBondContact O-CB 3.44Å; W186-F190 PolarHBondContact O-N 2.95Å; F190-K195 HydrophobicContact CE1-CG 4.1Å; F190-K195 HydrophobicContact CE2-CG 3.79Å; F190-K195 HydrophobicContact CZ-CG 3.53Å; F190-K195 WeakPolarHBondContact O-CE 3.5Å; F190-K195 PolarHBondContact O-NZ 2.81Å
191G86.7Confident89.2Confident22 Ų2251.1 Ų51.123%0.22726%0.257CS..  trans78.5178-171.300000113.1L187L187-G191 VanDerWaalsContact O-CA 3.29Å; L187-G191 WeakPolarHBondContact O-CA 3.44Å; L187-G191 PolarHBondContact O-N 2.87Å
192T86.6Confident89.1Confident63 Ų6350.8 Ų50.839%0.38726%0.256SS..SBendtrans-101.5-16.3-172.157.70000113.5Y143 G144 L187Y143-T192 WeakPolarHBondContact CA-O 3.3Å; Y143-T192 HydrophobicContact CD1-CG2 4.18Å; Y143-T192 HydrophobicContact CD2-CG2 4.13Å; Y143-T192 HydrophobicContact CE1-CG2 3.65Å; Y143-T192 HydrophobicContact CE2-CG2 3.59Å; Y143-T192 HydrophobicContact CG-CG2 4.4Å; G144-T192 PolarHBondContact N-O 3.17Å; L187-T192 HydrophobicContact CD1-CG2 4.35Å
193G80.4Confident89.1Confident21 Ų2150.5 Ų50.522%0.21625%0.25CC..SBendtrans-82.3176.6-175.500000114.5K195G193-K195 PolarHBondContact O-N 2.69Å
194N82.6Confident89.2Confident32 Ų3250 Ų5017%0.17125%0.248CC..  trans-79.8113.1167.1-176.5-21.5000109.2Q146 E196 H197 Q198Q146-N194 PolarHBondContact NE2-OD1 2.91Å; Q146-N194 VanDerWaalsContact NE2-OD1 3.09Å; N194-E196 PolarHBondContact O-N 2.76Å; N194-E196 WeakPolarHBondContact OD1-CB 3.2Å; N194-E196 PolarHBondContact OD1-N 3.05Å; N194-H197 HydrophobicContact CB-CB 4.08Å; N194-H197 PolarHBondContact ND2-CD2 3.25Å; N194-H197 PolarHBondContact ND2-NE2 3.12Å; N194-H197 WeakPolarHBondContact O-CA 3.47Å; N194-H197 WeakPolarHBondContact O-CB 3.33Å; N194-H197 PolarHBondContact O-N 3.22Å; N194-Q198 PolarHBondContact O-N 3.24Å
195K80.9Confident89.3Confident37 Ų3749.9 Ų49.916%0.16125%0.245CC..Hα-helixtrans-55.2-36.1-179.7-75-67.1-167.1-1670113.4A68 F190 G193 H197 Q198 Q199A68-K195 HydrophobicContact CB-CB 3.8Å; F190-K195 HydrophobicContact CE1-CG 4.1Å; F190-K195 HydrophobicContact CE2-CG 3.79Å; F190-K195 HydrophobicContact CZ-CG 3.53Å; F190-K195 WeakPolarHBondContact O-CE 3.5Å; F190-K195 PolarHBondContact O-NZ 2.81Å; G193-K195 PolarHBondContact O-N 2.69Å; K195-H197 VanDerWaalsContact C-N 3.32Å; K195-Q198 PolarHBondContact O-N 2.95Å; K195-Q199 WeakPolarHBondContact O-CB 3.11Å; K195-Q199 VanDerWaalsContact O-CG 3.28Å; K195-Q199 WeakPolarHBondContact O-CG 3.47Å; K195-Q199 PolarHBondContact O-N 3.42Å
196E82.8Confident89.3Confident60 Ų6052 Ų5228%0.2826%0.262SS..Hα-helixtrans-67.4-37.7178.4-166.3175-17500110.7N194 I200 F262 Q266N194-E196 PolarHBondContact O-N 2.76Å; N194-E196 WeakPolarHBondContact OD1-CB 3.2Å; N194-E196 PolarHBondContact OD1-N 3.05Å; E196-I200 HydrophobicContact CG-CD1 4.43Å; E196-I200 WeakPolarHBondContact O-CD1 3.25Å; E196-I200 WeakPolarHBondContact O-CG1 3.22Å; E196-I200 PolarHBondContact O-N 3Å; E196-I200 VanDerWaalsContact O-N 3.12Å; E196-F262 HydrophobicContact CG-CD1 4.35Å; E196-F262 HydrophobicContact CG-CE1 3.93Å; E196-Q266 PolarHBondContact OE1-NE2 2.95Å
197H89.1Confident89.6Confident71 Ų7152.6 Ų52.633%0.32927%0.265SS..Hα-helixtrans-69.7-40.5176.9-64.1-171.8000111.6N194 K195 I200 I201 V270N194-H197 HydrophobicContact CB-CB 4.08Å; N194-H197 PolarHBondContact ND2-CD2 3.25Å; N194-H197 PolarHBondContact ND2-NE2 3.12Å; N194-H197 WeakPolarHBondContact O-CA 3.47Å; N194-H197 WeakPolarHBondContact O-CB 3.33Å; N194-H197 PolarHBondContact O-N 3.22Å; K195-H197 VanDerWaalsContact C-N 3.32Å; H197-I200 WeakPolarHBondContact O-CB 3.5Å; H197-I200 PolarHBondContact O-N 3.44Å; H197-I201 WeakPolarHBondContact O-CG1 3.47Å; H197-I201 PolarHBondContact O-N 3.47Å; H197-I201 VanDerWaalsContact O-N 3.1Å; H197-V270 HydrophobicContact CB-CG1 3.79Å; H197-V270 VanDerWaalsContact CD2-CG2 3.42Å; H197-V270 WeakPolarHBondContact CD2-CG2 3.45Å
198Q87.4Confident89.8Confident65 Ų6551.8 Ų51.830%0.30426%0.261SS..Hα-helixtrans-59.8-48.3174.6-71175.6-23.600111.1N194 K195 I200 I201 E202N194-Q198 PolarHBondContact O-N 3.24Å; K195-Q198 PolarHBondContact O-N 2.95Å; Q198-I200 VanDerWaalsContact C-N 3.25Å; Q198-I200 PolarHBondContact O-N 2.8Å; Q198-I201 PolarHBondContact O-N 2.86Å; Q198-I201 VanDerWaalsContact O-N 3.11Å; Q198-E202 WeakPolarHBondContact O-CB 3.23Å; Q198-E202 WeakPolarHBondContact O-CG 3.43Å; Q198-E202 PolarHBondContact O-N 3.11Å
199Q87.9Confident90Very high30 Ų3047.3 Ų47.314%0.1425%0.252CS..Hα-helixtrans-59.5-34.2176.7-73.8175.9-4.900113.2K195 Q203 F262K195-Q199 WeakPolarHBondContact O-CB 3.11Å; K195-Q199 VanDerWaalsContact O-CG 3.28Å; K195-Q199 WeakPolarHBondContact O-CG 3.47Å; K195-Q199 PolarHBondContact O-N 3.42Å; Q199-Q203 WeakPolarHBondContact O-CB 3.4Å; Q199-Q203 PolarHBondContact O-N 3.27Å; Q199-F262 HydrophobicContact CB-CZ 4.15Å
200I93.7Very high90.4Very high1 Ų143.9 Ų43.91%0.00525%0.245CC..Hα-helixtrans-66.3-44.7176.2-72.8166000111E196 H197 Q198 T204 F262 F267 V270 L271E196-I200 HydrophobicContact CG-CD1 4.43Å; E196-I200 WeakPolarHBondContact O-CD1 3.25Å; E196-I200 WeakPolarHBondContact O-CG1 3.22Å; E196-I200 PolarHBondContact O-N 3Å; E196-I200 VanDerWaalsContact O-N 3.12Å; H197-I200 WeakPolarHBondContact O-CB 3.5Å; H197-I200 PolarHBondContact O-N 3.44Å; Q198-I200 VanDerWaalsContact C-N 3.25Å; Q198-I200 PolarHBondContact O-N 2.8Å; I200-T204 PolarHBondContact O-N 2.96Å; I200-T204 VanDerWaalsContact O-N 3.16Å; I200-T204 PolarHBondContact O-OG1 3.2Å; I200-F262 HydrophobicContact CD1-CD1 4.22Å; I200-F262 HydrophobicContact CD1-CE1 4.44Å; I200-F262 HydrophobicContact CG1-CD1 3.98Å; I200-F262 HydrophobicContact CG1-CE1 3.94Å; I200-F262 HydrophobicContact CG1-CG 4.36Å; I200-F262 HydrophobicContact CG1-CZ 4.3Å; I200-F267 HydrophobicContact CB-CD2 4.08Å; I200-F267 HydrophobicContact CB-CE2 3.89Å; I200-F267 HydrophobicContact CB-CZ 4.35Å; I200-F267 HydrophobicContact CD1-CD2 4.17Å; I200-F267 HydrophobicContact CG1-CD2 3.53Å; I200-F267 HydrophobicContact CG1-CE2 3.69Å; I200-F267 HydrophobicContact CG1-CG 4.33Å; I200-F267 HydrophobicContact CG2-CD1 3.95Å; I200-F267 HydrophobicContact CG2-CD2 3.71Å; I200-F267 HydrophobicContact CG2-CE1 3.91Å; I200-F267 HydrophobicContact CG2-CE2 3.65Å; I200-F267 HydrophobicContact CG2-CG 3.85Å; I200-F267 HydrophobicContact CG2-CZ 3.76Å; I200-F267 WeakPolarHBondContact O-CZ 3.48Å; I200-V270 HydrophobicContact CB-CG1 3.99Å; I200-V270 HydrophobicContact CD1-CB 4.01Å; I200-V270 HydrophobicContact CD1-CG1 4.13Å; I200-V270 HydrophobicContact CD1-CG2 3.81Å; I200-V270 HydrophobicContact CG2-CB 3.98Å; I200-V270 HydrophobicContact CG2-CG1 3.69Å; I200-L271 HydrophobicContact CG2-CD2 3.81Å; I200-L271 HydrophobicContact CG2-CG 3.96Å
201I94Very high90.9Very high45 Ų4547.9 Ų47.923%0.23126%0.261CS..Hα-helixtrans-63.5-56.3177-69.1166.6000109.3H197 Q198 Q203 T204 E205 L271 A274 M276H197-I201 WeakPolarHBondContact O-CG1 3.47Å; H197-I201 PolarHBondContact O-N 3.47Å; H197-I201 VanDerWaalsContact O-N 3.1Å; Q198-I201 PolarHBondContact O-N 2.86Å; Q198-I201 VanDerWaalsContact O-N 3.11Å; I201-Q203 VanDerWaalsContact C-N 3.28Å; I201-Q203 PolarHBondContact O-N 3Å; I201-T204 WeakPolarHBondContact O-CA 3.46Å; I201-T204 WeakPolarHBondContact O-CB 3.42Å; I201-T204 PolarHBondContact O-N 3Å; I201-E205 HydrophobicContact CG2-CG 4.25Å; I201-E205 WeakPolarHBondContact O-CG 3.42Å; I201-E205 PolarHBondContact O-N 3.43Å; I201-L271 HydrophobicContact CG1-CD2 4.47Å; I201-A274 HydrophobicContact CD1-CB 3.88Å; I201-A274 HydrophobicContact CG1-CB 4.19Å; I201-M276 HydrophobicContact CB-SD 4.27Å; I201-M276 HydrophobicContact CG1-SD 4.11Å; I201-M276 HydrophobicContact CG2-SD 3.8Å
202E92.7Very high91.2Very high110 Ų11047 Ų4751%0.51425%0.251SS..Hα-helixtrans-55.1-42.1179.9-71167.3-170.300112.1Q198 T204 E205 A206Q198-E202 WeakPolarHBondContact O-CB 3.23Å; Q198-E202 WeakPolarHBondContact O-CG 3.43Å; Q198-E202 PolarHBondContact O-N 3.11Å; E202-T204 VanDerWaalsContact C-N 3.3Å; E202-T204 PolarHBondContact O-N 3.02Å; E202-E205 PolarHBondContact O-N 3.47Å; E202-A206 WeakPolarHBondContact O-CB 3.48Å; E202-A206 PolarHBondContact O-N 3.11Å
203Q94.6Very high91.5Very high34 Ų3450 Ų5016%0.15926%0.264CS..Hα-helixtrans-67.2-32.4178.7-175.5160.7-42.400112.3Q199 I201 F207 I258 K260Q199-Q203 WeakPolarHBondContact O-CB 3.4Å; Q199-Q203 PolarHBondContact O-N 3.27Å; I201-Q203 VanDerWaalsContact C-N 3.28Å; I201-Q203 PolarHBondContact O-N 3Å; Q203-F207 PolarHBondContact O-N 3.13Å; Q203-I258 WeakPolarHBondContact CG-O 3.19Å; Q203-I258 PolarHBondContact NE2-O 2.78Å; Q203-K260 PolarHBondContact NE2-O 3.44Å
204T97.4Very high92.2Very high0 Ų052.1 Ų52.10%028%0.276CS..Hα-helixtrans-73.5-47.1176.1-56.50000111I200 I201 E202 A206 F207 L208 I258 F267 L271 M276 L302I200-T204 PolarHBondContact O-N 2.96Å; I200-T204 VanDerWaalsContact O-N 3.16Å; I200-T204 PolarHBondContact O-OG1 3.2Å; I201-T204 WeakPolarHBondContact O-CA 3.46Å; I201-T204 WeakPolarHBondContact O-CB 3.42Å; I201-T204 PolarHBondContact O-N 3Å; E202-T204 VanDerWaalsContact C-N 3.3Å; E202-T204 PolarHBondContact O-N 3.02Å; T204-A206 PolarHBondContact O-N 3.39Å; T204-F207 PolarHBondContact O-N 3.23Å; T204-L208 HydrophobicContact CG2-CD1 3.98Å; T204-L208 HydrophobicContact CG2-CG 4.47Å; T204-L208 WeakPolarHBondContact O-CG 3.44Å; T204-L208 PolarHBondContact O-N 3.29Å; T204-I258 HydrophobicContact CG2-CG2 4.2Å; T204-F267 WeakPolarHBondContact OG1-CE1 3.5Å; T204-F267 WeakPolarHBondContact OG1-CZ 3.39Å; T204-L271 HydrophobicContact CG2-CD1 4.05Å; T204-L271 HydrophobicContact CG2-CD2 4.26Å; T204-M276 HydrophobicContact CG2-CE 3.88Å; T204-L302 HydrophobicContact CG2-CD1 4.1Å
205E96.4Very high92.9Very high72 Ų7252.2 Ų52.234%0.33627%0.274SS..Hα-helixtrans-59.8-45.2176.2-64.8177.4157.200111.3I201 E202 F207 L208 N209 M276 F304I201-E205 HydrophobicContact CG2-CG 4.25Å; I201-E205 WeakPolarHBondContact O-CG 3.42Å; I201-E205 PolarHBondContact O-N 3.43Å; E202-E205 PolarHBondContact O-N 3.47Å; E205-F207 VanDerWaalsContact C-N 3.3Å; E205-F207 PolarHBondContact O-N 3.21Å; E205-L208 PolarHBondContact O-N 3.39Å; E205-N209 VanDerWaalsContact O-CB 3.32Å; E205-N209 WeakPolarHBondContact O-CB 3.44Å; E205-N209 PolarHBondContact O-N 2.87Å; E205-N209 PolarHBondContact O-ND2 3.19Å; E205-M276 HydrophobicContact CG-CE 3.67Å; E205-F304 HydrophobicContact CB-CE2 4.02Å; E205-F304 HydrophobicContact CB-CZ 4.44Å; E205-F304 HydrophobicContact CG-CD2 4.23Å; E205-F304 HydrophobicContact CG-CE2 3.72Å
206A95.4Very high93.7Very high60 Ų6050.4 Ų50.450%0.49627%0.266SS..Hα-helixtrans-58.5-42.117700000112E202 T204 A210E202-A206 WeakPolarHBondContact O-CB 3.48Å; E202-A206 PolarHBondContact O-N 3.11Å; T204-A206 PolarHBondContact O-N 3.39Å; A206-A210 VanDerWaalsContact O-CB 3.27Å; A206-A210 WeakPolarHBondContact O-CB 3.44Å; A206-A210 PolarHBondContact O-N 3.21Å; A206-A210 VanDerWaalsContact O-N 3.07Å
207F97.2Very high94.3Very high18 Ų1847.6 Ų47.68%0.07925%0.253CS..Hα-helixtrans-66.9-44.6176.8-171.5-85000111.9Q203 T204 E205 A210 Y211 F216 A232 E257 I258Q203-F207 PolarHBondContact O-N 3.13Å; T204-F207 PolarHBondContact O-N 3.23Å; E205-F207 VanDerWaalsContact C-N 3.3Å; E205-F207 PolarHBondContact O-N 3.21Å; F207-A210 PolarHBondContact O-N 3.28Å; F207-Y211 HydrophobicContact CD1-CD2 4.27Å; F207-Y211 AromaticContact CD2-CD2 3.62Å; F207-Y211 HydrophobicContact CD2-CD2 3.62Å; F207-Y211 HydrophobicContact CD2-CE2 4.03Å; F207-Y211 HydrophobicContact CE1-CD2 4.33Å; F207-Y211 AromaticContact CE2-CD2 3.69Å; F207-Y211 HydrophobicContact CE2-CD2 3.69Å; F207-Y211 HydrophobicContact CE2-CE2 4.16Å; F207-Y211 AromaticContact CG-CD2 3.93Å; F207-Y211 HydrophobicContact CG-CD2 3.93Å; F207-Y211 HydrophobicContact CZ-CD2 4.05Å; F207-Y211 WeakPolarHBondContact O-CB 3.34Å; F207-Y211 WeakPolarHBondContact O-CD2 3.4Å; F207-Y211 PolarHBondContact O-N 3.16Å; F207-F216 HydrophobicContact CD1-CE2 4.4Å; F207-F216 AromaticContact CE1-CE2 3.82Å; F207-F216 HydrophobicContact CE1-CE2 3.82Å; F207-F216 HydrophobicContact CE1-CZ 4Å; F207-A232 HydrophobicContact CE1-CB 4.45Å; F207-A232 HydrophobicContact CZ-CB 4.39Å; F207-E257 HydrophobicContact CE2-CB 3.8Å; F207-E257 HydrophobicContact CZ-CB 4.43Å; F207-I258 HydrophobicContact CB-CG1 4.27Å; F207-I258 HydrophobicContact CD1-CD1 3.64Å; F207-I258 HydrophobicContact CD1-CG1 3.62Å; F207-I258 HydrophobicContact CD2-CG1 3.93Å; F207-I258 HydrophobicContact CE1-CD1 3.82Å; F207-I258 HydrophobicContact CE1-CG1 3.84Å; F207-I258 HydrophobicContact CE2-CG1 4.13Å; F207-I258 HydrophobicContact CG-CD1 4.18Å; F207-I258 HydrophobicContact CG-CG1 3.67Å; F207-I258 HydrophobicContact CZ-CD1 4.49Å; F207-I258 HydrophobicContact CZ-CG1 4.09Å
208L96.7Very high94.6Very high6 Ų646.4 Ų46.43%0.03125%0.251CS..Hα-helixtrans-71.3-35-178-66.3176.9000112.4T204 E205 G212 F216 F247 L302 F304T204-L208 HydrophobicContact CG2-CD1 3.98Å; T204-L208 HydrophobicContact CG2-CG 4.47Å; T204-L208 WeakPolarHBondContact O-CG 3.44Å; T204-L208 PolarHBondContact O-N 3.29Å; E205-L208 PolarHBondContact O-N 3.39Å; L208-G212 WeakPolarHBondContact O-CA 3.37Å; L208-G212 PolarHBondContact O-N 3.01Å; L208-F216 HydrophobicContact CD2-CE2 4.12Å; L208-F216 HydrophobicContact CD2-CZ 4.05Å; L208-F247 HydrophobicContact CD1-CD2 4.22Å; L208-F247 HydrophobicContact CD1-CE2 4.45Å; L208-F247 HydrophobicContact CD2-CB 4.32Å; L208-F247 HydrophobicContact CD2-CD1 4.1Å; L208-F247 HydrophobicContact CD2-CD2 3.98Å; L208-F247 HydrophobicContact CD2-CE1 4.4Å; L208-F247 HydrophobicContact CD2-CE2 4.29Å; L208-F247 HydrophobicContact CD2-CG 3.87Å; L208-F247 HydrophobicContact CD2-CZ 4.48Å; L208-L302 HydrophobicContact CD1-CB 4.44Å; L208-L302 HydrophobicContact CD1-CD1 4.35Å; L208-F304 HydrophobicContact CB-CD1 3.64Å; L208-F304 HydrophobicContact CB-CE1 4Å; L208-F304 HydrophobicContact CB-CG 4.1Å; L208-F304 HydrophobicContact CD1-CB 3.47Å; L208-F304 VanDerWaalsContact CD1-CB 3.47Å; L208-F304 HydrophobicContact CD1-CD1 4.13Å; L208-F304 HydrophobicContact CD1-CD2 4.42Å; L208-F304 HydrophobicContact CD1-CG 3.76Å
209N95.1Very high94.9Very high99 Ų9946 Ų4653%0.52925%0.251SS..Hα-helixtrans-65.6-46171.8-80.1-38.7000111.7E205 F304E205-N209 VanDerWaalsContact O-CB 3.32Å; E205-N209 WeakPolarHBondContact O-CB 3.44Å; E205-N209 PolarHBondContact O-N 2.87Å; E205-N209 PolarHBondContact O-ND2 3.19Å; N209-F304 VanDerWaalsContact OD1-CE1 3.27Å; N209-F304 WeakPolarHBondContact OD1-CE1 3.27Å; N209-F304 VanDerWaalsContact OD1-CZ 3.3Å; N209-F304 WeakPolarHBondContact OD1-CZ 3.32Å
210A94.9Very high95.1Very high58 Ų5847.6 Ų47.648%0.47928%0.276SS..Hα-helixtrans-71.6-36.5-178.300000113.1A206 F207A206-A210 VanDerWaalsContact O-CB 3.27Å; A206-A210 WeakPolarHBondContact O-CB 3.44Å; A206-A210 PolarHBondContact O-N 3.21Å; A206-A210 VanDerWaalsContact O-N 3.07Å; F207-A210 PolarHBondContact O-N 3.28Å
211Y96.2Very high95Very high102 Ų10249.9 Ų49.940%0.428%0.284SS..Hα-helixtrans-125.5-7.9-166-54.9-57.5000115.1F207 L213 S214 R215F207-Y211 HydrophobicContact CD1-CD2 4.27Å; F207-Y211 AromaticContact CD2-CD2 3.62Å; F207-Y211 HydrophobicContact CD2-CD2 3.62Å; F207-Y211 HydrophobicContact CD2-CE2 4.03Å; F207-Y211 HydrophobicContact CE1-CD2 4.33Å; F207-Y211 AromaticContact CE2-CD2 3.69Å; F207-Y211 HydrophobicContact CE2-CD2 3.69Å; F207-Y211 HydrophobicContact CE2-CE2 4.16Å; F207-Y211 AromaticContact CG-CD2 3.93Å; F207-Y211 HydrophobicContact CG-CD2 3.93Å; F207-Y211 HydrophobicContact CZ-CD2 4.05Å; F207-Y211 WeakPolarHBondContact O-CB 3.34Å; F207-Y211 WeakPolarHBondContact O-CD2 3.4Å; F207-Y211 PolarHBondContact O-N 3.16Å; Y211-L213 VanDerWaalsContact C-N 3.26Å; Y211-L213 PolarHBondContact O-N 3.45Å; Y211-S214 WeakPolarHBondContact CA-OG 3.45Å; Y211-S214 PolarHBondContact O-N 3.27Å; Y211-S214 VanDerWaalsContact O-N 3.17Å; Y211-S214 PolarHBondContact O-OG 3.4Å; Y211-R215 HydrophobicContact CD1-CG 4.31Å; Y211-R215 HydrophobicContact CG-CG 4.48Å; Y211-R215 PolarHBondContact O-N 2.87Å
212G94.2Very high94.8Very high2 Ų250 Ų502%0.02129%0.285CS..THydrogen-bonded Turntrans-56.5-38.9-176.900000113L208 F216 R235L208-G212 WeakPolarHBondContact O-CA 3.37Å; L208-G212 PolarHBondContact O-N 3.01Å; G212-F216 WeakPolarHBondContact O-CB 3.34Å; G212-R235 PolarHBondContact O-NH1 3.48Å
213L92.5Very high94.5Very high128 Ų12848.4 Ų48.467%0.6728%0.284SS*.THydrogen-bonded Turntrans-89.6-20.2178.9-64.5-176.7000114.6Y211 R235Y211-L213 VanDerWaalsContact C-N 3.26Å; Y211-L213 PolarHBondContact O-N 3.45Å; L213-R235 PolarHBondContact O-NH1 3.07Å
214S94.7Very high94.3Very high65 Ų6556.5 Ų56.546%0.45531%0.314SS..THydrogen-bonded Turntrans-102.3-29.1-173.358.60000114Y211 I228Y211-S214 WeakPolarHBondContact CA-OG 3.45Å; Y211-S214 PolarHBondContact O-N 3.27Å; Y211-S214 VanDerWaalsContact O-N 3.17Å; Y211-S214 PolarHBondContact O-OG 3.4Å; S214-I228 VanDerWaalsContact O-CG2 3.25Å; S214-I228 WeakPolarHBondContact O-CG2 3.18Å
215R97.3Very high93.9Very high33 Ų3362.9 Ų62.913%0.12535%0.348CS..THydrogen-bonded Turntrans-114.7-2.8-176.3-63.9-177.760.9-160.9-1.3114.3Y211 D230 A232 E257Y211-R215 HydrophobicContact CD1-CG 4.31Å; Y211-R215 HydrophobicContact CG-CG 4.48Å; Y211-R215 PolarHBondContact O-N 2.87Å; R215-D230 PolarHBondContact NE-O 3.16Å; R215-D230 PolarHBondContact NH2-O 3.1Å; R215-D230 VanDerWaalsContact NH2-O 3.13Å; R215-A232 HydrophobicContact CB-CB 3.91Å; R215-A232 PolarHBondContact O-N 3.49Å; R215-E257 IonicContact CZ-OE1 2.79Å; R215-E257 IonicContact CZ-OE2 2.81Å; R215-E257 IonicContact NH1-OE1 2.68Å; R215-E257 IonicContact NH1-OE2 3.46Å; R215-E257 PolarHBondContact NH1-OE2 2.81Å; R215-E257 IonicContact NH2-OE1 3.31Å; R215-E257 PolarHBondContact NH2-OE1 3.23Å; R215-E257 IonicContact NH2-OE2 3.79Å; R215-E257 PolarHBondContact NH2-OE2 2.78Å; R215-E257 VanDerWaalsContact NH2-OE2 3.17Å
216F97.1Very high93.6Very high0 Ų063.1 Ų63.10%035%0.351CS..EExtended strand (participates in β ladder)trans-114.2114174-64.5-103.8000110.6F207 L208 G212 A232 G233 R235 F247 T249F207-F216 HydrophobicContact CD1-CE2 4.4Å; F207-F216 AromaticContact CE1-CE2 3.82Å; F207-F216 HydrophobicContact CE1-CE2 3.82Å; F207-F216 HydrophobicContact CE1-CZ 4Å; L208-F216 HydrophobicContact CD2-CE2 4.12Å; L208-F216 HydrophobicContact CD2-CZ 4.05Å; G212-F216 WeakPolarHBondContact O-CB 3.34Å; F216-A232 HydrophobicContact CD2-CB 4.38Å; F216-A232 HydrophobicContact CE1-CB 4.34Å; F216-A232 HydrophobicContact CE2-CB 3.95Å; F216-A232 HydrophobicContact CZ-CB 3.92Å; F216-G233 VanDerWaalsContact CA-O 3.32Å; F216-G233 WeakPolarHBondContact CA-O 3.37Å; F216-R235 HydrophobicContact CB-CB 4.04Å; F216-R235 HydrophobicContact CB-CG 4.35Å; F216-R235 WeakPolarHBondContact O-CD 3.4Å; F216-R235 PolarHBondContact O-NH1 3.08Å; F216-F247 HydrophobicContact CB-CD1 4.06Å; F216-F247 HydrophobicContact CB-CE1 4.36Å; F216-F247 HydrophobicContact CD1-CB 4.17Å; F216-F247 AromaticContact CD1-CD1 3.73Å; F216-F247 HydrophobicContact CD1-CD1 3.73Å; F216-F247 HydrophobicContact CD1-CG 4.44Å; F216-F247 AromaticContact CD2-CD1 4Å; F216-F247 HydrophobicContact CD2-CD1 4Å; F216-F247 HydrophobicContact CD2-CE1 4.3Å; F216-F247 HydrophobicContact CE1-CB 4Å; F216-F247 HydrophobicContact CE1-CD1 4.09Å; F216-F247 HydrophobicContact CE1-CG 4.49Å; F216-F247 HydrophobicContact CE2-CD1 4.34Å; F216-F247 AromaticContact CG-CD1 3.67Å; F216-F247 HydrophobicContact CG-CD1 3.67Å; F216-F247 HydrophobicContact CG-CE1 4.23Å; F216-F247 HydrophobicContact CZ-CD1 4.39Å; F216-T249 HydrophobicContact CE1-CG2 4.04Å; F216-T249 WeakPolarHBondContact CE1-OG1 3.5Å; F216-T249 HydrophobicContact CZ-CG2 4.1Å
217A96Very high93.4Very high0 Ų065.3 Ų65.30%036%0.36CS..EExtended strand (participates in β ladder)trans-71.9143.3179.400000111.4L219 Y221 I228 L231 G233 Y234 R235A217-L219 PolarHBondContact O-N 3.21Å; A217-Y221 HydrophobicContact CB-CD1 3.36Å; A217-Y221 HydrophobicContact CB-CD2 3.85Å; A217-Y221 HydrophobicContact CB-CE1 3.39Å; A217-Y221 HydrophobicContact CB-CE2 3.83Å; A217-Y221 HydrophobicContact CB-CG 3.6Å; A217-I228 HydrophobicContact CB-CD1 3.72Å; A217-L231 HydrophobicContact CB-CD1 3.85Å; A217-G233 PolarHBondContact N-O 2.8Å; A217-Y234 HydrophobicContact CB-CD1 4.06Å; A217-Y234 HydrophobicContact CB-CE1 4.39Å; A217-Y234 CarbonylContact O-C 3.51Å; A217-Y234 WeakPolarHBondContact O-CA 3.27Å; A217-R235 PolarHBondContact O-N 2.95Å
218P95.4Very high93.3Very high46 Ų4666 Ų6630%0.29937%0.365SS..EExtended strand (participates in β ladder)trans-53.5141.2163.8-20.432.4000110.3G220 Y221 L226 R235P218-G220 PolarHBondContact O-N 2.96Å; P218-Y221 WeakPolarHBondContact O-CB 3.45Å; P218-Y221 PolarHBondContact O-N 3.35Å; P218-L226 HydrophobicContact CG-CD2 4.34Å; P218-R235 WeakPolarHBondContact CA-O 3.3Å
219L94.1Very high93.1Very high57 Ų5775.6 Ų75.630%0.29840%0.4SS..THydrogen-bonded Turntrans-58136.2170.8-74.1176.6000110.7A217 Y221 Y234 R235 K236 Y248 V290 E292A217-L219 PolarHBondContact O-N 3.21Å; L219-Y221 VanDerWaalsContact C-N 3.34Å; L219-Y234 HydrophobicContact CD2-CD1 4.23Å; L219-Y234 HydrophobicContact CD2-CG 3.88Å; L219-R235 PolarHBondContact N-O 3.39Å; L219-K236 HydrophobicContact CD1-CB 4.04Å; L219-K236 HydrophobicContact CD1-CD 4.36Å; L219-K236 HydrophobicContact CD1-CG 4.28Å; L219-Y248 HydrophobicContact CD1-CD2 4.21Å; L219-Y248 HydrophobicContact CD1-CE2 3.66Å; L219-Y248 HydrophobicContact CD2-CD2 4.39Å; L219-Y248 HydrophobicContact CG-CD2 4.43Å; L219-Y248 HydrophobicContact CG-CE2 4.34Å; L219-V290 HydrophobicContact CD1-CG2 4.36Å; L219-V290 HydrophobicContact CD2-CG2 3.74Å; L219-E292 WeakPolarHBondContact CD2-OE2 3.48Å
220G91.8Very high93Very high64 Ų6475.8 Ų75.866%0.6640%0.401SS*.THydrogen-bonded Turntrans76.516-177.400000114.5P218 E292P218-G220 PolarHBondContact O-N 2.96Å; G220-E292 WeakPolarHBondContact CA-OE1 3.36Å; G220-E292 PolarHBondContact N-OE1 3.2Å; G220-E292 PolarHBondContact N-OE2 3.42Å
221Y91.9Very high93.1Very high49 Ų4975.3 Ų75.319%0.19239%0.39CS..  trans-68.2150.5174.888.2-59.3000112.1A217 P218 L219 P223 L226 Y234A217-Y221 HydrophobicContact CB-CD1 3.36Å; A217-Y221 HydrophobicContact CB-CD2 3.85Å; A217-Y221 HydrophobicContact CB-CE1 3.39Å; A217-Y221 HydrophobicContact CB-CE2 3.83Å; A217-Y221 HydrophobicContact CB-CG 3.6Å; P218-Y221 WeakPolarHBondContact O-CB 3.45Å; P218-Y221 PolarHBondContact O-N 3.35Å; L219-Y221 VanDerWaalsContact C-N 3.34Å; Y221-P223 HydrophobicContact CE1-CG 4.41Å; Y221-P223 HydrophobicContact CE2-CB 4.19Å; Y221-P223 HydrophobicContact CE2-CG 4.1Å; Y221-L226 HydrophobicContact CD2-CB 4.14Å; Y221-L226 VanDerWaalsContact CE2-O 3.32Å; Y221-L226 WeakPolarHBondContact CE2-O 3.05Å; Y221-Y234 HydrophobicContact CD1-CE1 4.26Å; Y221-Y234 HydrophobicContact CE1-CD1 4.46Å; Y221-Y234 AromaticContact CE1-CE1 3.81Å; Y221-Y234 HydrophobicContact CE1-CE1 3.81Å
222D88.9Confident93.1Very high47 Ų4770.5 Ų70.525%0.25137%0.371SS..  trans-91.3122165.1-168.6-35.5000109R224 D225 L226D222-R224 PolarHBondContact O-N 3.23Å; D222-R224 VanDerWaalsContact OD1-CB 3.26Å; D222-R224 WeakPolarHBondContact OD1-CB 3.41Å; D222-R224 WeakPolarHBondContact OD1-CG 3.48Å; D222-R224 PolarHBondContact OD1-N 3.26Å; D222-R224 IonicContact OD1-NE 4Å; D222-R224 PolarHBondContact OD1-NE 3.48Å; D222-R224 VanDerWaalsContact OD1-NE 3.13Å; D222-R224 IonicContact OD2-CZ 2.73Å; D222-R224 VanDerWaalsContact OD2-CZ 3.31Å; D222-R224 IonicContact OD2-NE 2.91Å; D222-R224 PolarHBondContact OD2-NE 2.9Å; D222-R224 VanDerWaalsContact OD2-NE 3.11Å; D222-R224 IonicContact OD2-NH2 3.05Å; D222-R224 PolarHBondContact OD2-NH2 3.13Å; D222-D225 HydrophobicContact CB-CB 4.23Å; D222-D225 PolarHBondContact O-N 3.13Å; D222-L226 PolarHBondContact O-N 2.84Å; D222-L226 VanDerWaalsContact O-N 3.09Å
223P87.1Confident93.3Very high76 Ų7670.4 Ų70.449%0.49437%0.37SS..THydrogen-bonded Turntrans-56.2-21.9175.7-25.934.4000114.8Y221 P227Y221-P223 HydrophobicContact CE1-CG 4.41Å; Y221-P223 HydrophobicContact CE2-CB 4.19Å; Y221-P223 HydrophobicContact CE2-CG 4.1Å; P223-P227 WeakPolarHBondContact O-CA 3.1Å
224R89.1Confident93.5Very high205 Ų20565.4 Ų65.477%0.77434%0.343SS*.THydrogen-bonded Turntrans-75.1-34.1176.1-61.2175.7-68.1172.82.4112.2D222D222-R224 PolarHBondContact O-N 3.23Å; D222-R224 VanDerWaalsContact OD1-CB 3.26Å; D222-R224 WeakPolarHBondContact OD1-CB 3.41Å; D222-R224 WeakPolarHBondContact OD1-CG 3.48Å; D222-R224 PolarHBondContact OD1-N 3.26Å; D222-R224 IonicContact OD1-NE 4Å; D222-R224 PolarHBondContact OD1-NE 3.48Å; D222-R224 VanDerWaalsContact OD1-NE 3.13Å; D222-R224 IonicContact OD2-CZ 2.73Å; D222-R224 VanDerWaalsContact OD2-CZ 3.31Å; D222-R224 IonicContact OD2-NE 2.91Å; D222-R224 PolarHBondContact OD2-NE 2.9Å; D222-R224 VanDerWaalsContact OD2-NE 3.11Å; D222-R224 IonicContact OD2-NH2 3.05Å; D222-R224 PolarHBondContact OD2-NH2 3.13Å
225D90Very high93.6Very high134 Ų13464.7 Ų64.772%0.71733%0.33SS*.THydrogen-bonded Turntrans-85.6-29.8-177.3-63.5-19.9000111.6D222D222-D225 HydrophobicContact CB-CB 4.23Å; D222-D225 PolarHBondContact O-N 3.13Å
226L90Very high93.4Very high76 Ų7667.3 Ų67.340%0.39834%0.342SS..SBendtrans-137.977.4177.9-175.270000110.4P218 Y221 D222 I228P218-L226 HydrophobicContact CG-CD2 4.34Å; Y221-L226 HydrophobicContact CD2-CB 4.14Å; Y221-L226 VanDerWaalsContact CE2-O 3.32Å; Y221-L226 WeakPolarHBondContact CE2-O 3.05Å; D222-L226 PolarHBondContact O-N 2.84Å; D222-L226 VanDerWaalsContact O-N 3.09Å; L226-I228 HydrophobicContact CD2-CD1 4.11Å; L226-I228 HydrophobicContact CD2-CG1 4.45Å; L226-I228 HydrophobicContact CG-CD1 4.31Å; L226-I228 HydrophobicContact CG-CG1 4.11Å; L226-I228 PolarHBondContact O-N 2.83Å; L226-I228 VanDerWaalsContact O-N 3.15Å
227P91.3Very high93Very high107 Ų10775.1 Ų75.170%0.69538%0.377SS*.  trans-67114.4175.525.8-32.7000110.2P223P223-P227 WeakPolarHBondContact O-CA 3.1Å
228I93.9Very high92.3Very high33 Ų3376.1 Ų76.117%0.16939%0.386CS..  trans-104.1120.9178.2-66.8-176.7000109.8S214 A217 L226 L231S214-I228 VanDerWaalsContact O-CG2 3.25Å; S214-I228 WeakPolarHBondContact O-CG2 3.18Å; A217-I228 HydrophobicContact CB-CD1 3.72Å; L226-I228 HydrophobicContact CD2-CD1 4.11Å; L226-I228 HydrophobicContact CD2-CG1 4.45Å; L226-I228 HydrophobicContact CG-CD1 4.31Å; L226-I228 HydrophobicContact CG-CG1 4.11Å; L226-I228 PolarHBondContact O-N 2.83Å; L226-I228 VanDerWaalsContact O-N 3.15Å; I228-L231 HydrophobicContact CB-CD1 4.02Å; I228-L231 HydrophobicContact CD1-CD1 4.09Å; I228-L231 HydrophobicContact CG2-CB 4.26Å; I228-L231 HydrophobicContact CG2-CD1 3.73Å
229R92.5Very high91.5Very high207 Ų20780 Ų8078%0.78141%0.405SS*.THydrogen-bonded Turntrans-75.7138.3170.9-160.1-178.669.4-158.7-4.7109.8L231R229-L231 PolarHBondContact O-N 2.93Å
230D94.3Very high90.8Very high103 Ų10383.9 Ų83.955%0.55142%0.421SS*.THydrogen-bonded Turntrans55.746.1175.3-49.7-50.2000113.6R215 A232R215-D230 PolarHBondContact NE-O 3.16Å; R215-D230 PolarHBondContact NH2-O 3.1Å; R215-D230 VanDerWaalsContact NH2-O 3.13Å; D230-A232 PolarHBondContact O-N 3.17Å; D230-A232 VanDerWaalsContact O-N 3.13Å
231L96Very high89.8Confident48 Ų4889 Ų8925%0.25143%0.433SS..  trans-49.2117.1-178-171.973.3000111.8A217 I228 R229 G233 F250A217-L231 HydrophobicContact CB-CD1 3.85Å; I228-L231 HydrophobicContact CB-CD1 4.02Å; I228-L231 HydrophobicContact CD1-CD1 4.09Å; I228-L231 HydrophobicContact CG2-CB 4.26Å; I228-L231 HydrophobicContact CG2-CD1 3.73Å; R229-L231 PolarHBondContact O-N 2.93Å; L231-G233 WeakPolarHBondContact CD1-O 3.4Å; L231-F250 HydrophobicContact CD2-CE2 3.86Å; L231-F250 HydrophobicContact CD2-CZ 4.14Å; L231-F250 HydrophobicContact CG-CE2 3.94Å
232A97.8Very high89Confident0 Ų088.9 Ų88.90%045%0.448CS..  trans-94.3-14.8-179.200000113F207 R215 F216 D230 F250 A253F207-A232 HydrophobicContact CE1-CB 4.45Å; F207-A232 HydrophobicContact CZ-CB 4.39Å; R215-A232 HydrophobicContact CB-CB 3.91Å; R215-A232 PolarHBondContact O-N 3.49Å; F216-A232 HydrophobicContact CD2-CB 4.38Å; F216-A232 HydrophobicContact CE1-CB 4.34Å; F216-A232 HydrophobicContact CE2-CB 3.95Å; F216-A232 HydrophobicContact CZ-CB 3.92Å; D230-A232 PolarHBondContact O-N 3.17Å; D230-A232 VanDerWaalsContact O-N 3.13Å; A232-F250 PolarHBondContact O-N 3.02Å; A232-A253 HydrophobicContact CB-CB 3.81Å
233G97.5Very high88.8Confident0 Ų089.6 Ų89.60%045%0.451CS..EExtended strand (participates in β ladder)trans160.4-156.3179.200000113.4F216 A217 L231 Y248F216-G233 VanDerWaalsContact CA-O 3.32Å; F216-G233 WeakPolarHBondContact CA-O 3.37Å; A217-G233 PolarHBondContact N-O 2.8Å; L231-G233 WeakPolarHBondContact CD1-O 3.4Å; G233-Y248 CarbonylContact C-O 3.58Å; G233-Y248 WeakPolarHBondContact CA-O 3.37Å
234Y97.2Very high88.8Confident23 Ų2388.1 Ų88.19%0.0944%0.442CS..EExtended strand (participates in β ladder)trans-119.7158.1175.6-55.4-85.1000111.6A217 L219 Y221 F247 Y248 F250 V290 E292 I297A217-Y234 HydrophobicContact CB-CD1 4.06Å; A217-Y234 HydrophobicContact CB-CE1 4.39Å; A217-Y234 CarbonylContact O-C 3.51Å; A217-Y234 WeakPolarHBondContact O-CA 3.27Å; L219-Y234 HydrophobicContact CD2-CD1 4.23Å; L219-Y234 HydrophobicContact CD2-CG 3.88Å; Y221-Y234 HydrophobicContact CD1-CE1 4.26Å; Y221-Y234 HydrophobicContact CE1-CD1 4.46Å; Y221-Y234 AromaticContact CE1-CE1 3.81Å; Y221-Y234 HydrophobicContact CE1-CE1 3.81Å; Y234-F247 CarbonylContact O-C 3.47Å; Y234-F247 WeakPolarHBondContact O-CA 3.1Å; Y234-Y248 PolarHBondContact N-O 2.92Å; Y234-Y248 PolarHBondContact O-N 2.96Å; Y234-F250 HydrophobicContact CD2-CE1 4.05Å; Y234-F250 HydrophobicContact CD2-CZ 4.14Å; Y234-F250 AromaticContact CE2-CE1 3.56Å; Y234-F250 HydrophobicContact CE2-CE1 3.56Å; Y234-F250 AromaticContact CE2-CZ 3.47Å; Y234-F250 HydrophobicContact CE2-CZ 3.47Å; Y234-F250 VanDerWaalsContact CE2-CZ 3.47Å; Y234-F250 AromaticContact CZ-CZ 3.99Å; Y234-V290 HydrophobicContact CD2-CG1 4.23Å; Y234-E292 HydrophobicContact CD1-CG 4.22Å; Y234-E292 HydrophobicContact CE1-CB 4.43Å; Y234-E292 HydrophobicContact CE1-CG 3.6Å; Y234-E292 HydrophobicContact CE2-CB 4.24Å; Y234-E292 HydrophobicContact CE2-CG 4.25Å; Y234-I297 HydrophobicContact CE2-CD1 3.73Å
235R96.1Very high89Confident51 Ų5180.6 Ų80.619%0.19242%0.416CS..EExtended strand (participates in β ladder)trans-127.6149.4174.768.6-179.2-172.8-122.310.9111.6G212 L213 F216 A217 P218 L219 I245 I246 F247G212-R235 PolarHBondContact O-NH1 3.48Å; L213-R235 PolarHBondContact O-NH1 3.07Å; F216-R235 HydrophobicContact CB-CB 4.04Å; F216-R235 HydrophobicContact CB-CG 4.35Å; F216-R235 WeakPolarHBondContact O-CD 3.4Å; F216-R235 PolarHBondContact O-NH1 3.08Å; A217-R235 PolarHBondContact O-N 2.95Å; P218-R235 WeakPolarHBondContact CA-O 3.3Å; L219-R235 PolarHBondContact N-O 3.39Å; R235-I245 HydrophobicContact CB-CG2 4.09Å; R235-I246 CarbonylContact C-O 3.54Å; R235-I246 VanDerWaalsContact CA-O 3.25Å; R235-I246 WeakPolarHBondContact CA-O 3.32Å; R235-F247 HydrophobicContact CB-CD1 3.96Å; R235-F247 HydrophobicContact CB-CE1 4.05Å
236K94.1Very high89.3Confident87 Ų8776.1 Ų76.138%0.37839%0.392SS..EExtended strand (participates in β ladder)trans-134.6131.3170.4-166.8-164.9168.5-171.10108L219 I246 Y248L219-K236 HydrophobicContact CD1-CB 4.04Å; L219-K236 HydrophobicContact CD1-CD 4.36Å; L219-K236 HydrophobicContact CD1-CG 4.28Å; K236-I246 HydrophobicContact CB-CB 4.5Å; K236-I246 PolarHBondContact N-O 3.46Å; K236-I246 PolarHBondContact O-N 2.8Å; K236-Y248 HydrophobicContact CB-CE2 4.05Å
237K88.1Confident89.7Confident165 Ų16572.7 Ų72.772%0.71737%0.374SS*.  trans-61.1149.2167.1-75.2-168.6173.1-167.30109.2
238G80.3Confident90Very high20 Ų2069.4 Ų69.421%0.20635%0.348CS..  trans-62.2175.1168.500000112
239N79.6Confident90.2Very high129 Ų12967.8 Ų67.869%0.6934%0.34SS*.SBendtrans-78.5-26.2-172.6-65.8-32.9000112.2D243N239-D243 PolarHBondContact N-OD2 3.08Å
240H79.1Confident90.5Very high137 Ų13759.9 Ų59.963%0.63431%0.311SS*.SBendtrans-123.2157.9179.7-50.389.3000111.1G242 D243H240-G242 PolarHBondContact O-N 2.95Å; H240-D243 IonicContact CG-OD2 3.86Å; H240-D243 PolarHBondContact N-OD2 3.27Å; H240-D243 IonicContact ND1-OD2 3.21Å; H240-D243 PolarHBondContact ND1-OD2 3.48Å; H240-D243 WeakPolarHBondContact O-CB 3.4Å; H240-D243 PolarHBondContact O-N 3.46Å
241D70.4Confident90.6Very high171 Ų17156.5 Ų56.591%0.91430%0.295SS*.THydrogen-bonded Turntrans-62.1126.7167.2-83.1-23.2000108.8
242G76Confident90.7Very high48 Ų4856.9 Ų56.950%0.49530%0.304SS..THydrogen-bonded Turntrans92.2-1.3-170.800000115.1H240 M305H240-G242 PolarHBondContact O-N 2.95Å; G242-M305 WeakPolarHBondContact O-CE 3.25Å
243D83.6Confident90.7Very high62 Ų6257 Ų5733%0.33231%0.306SS..PPolyproline II helixtrans-78.3143.2167.8-77.5-18000110.6N239 H240N239-D243 PolarHBondContact N-OD2 3.08Å; H240-D243 IonicContact CG-OD2 3.86Å; H240-D243 PolarHBondContact N-OD2 3.27Å; H240-D243 IonicContact ND1-OD2 3.21Å; H240-D243 PolarHBondContact ND1-OD2 3.48Å; H240-D243 WeakPolarHBondContact O-CB 3.4Å; H240-D243 PolarHBondContact O-N 3.46Å
244P88Confident90.7Very high45 Ų4557 Ų5729%0.29231%0.306SS..PPolyproline II helixtrans-61.2145.617725.1-33.2000111.6I246 N303 M305P244-I246 PolarHBondContact O-N 3.25Å; P244-N303 HydrophobicContact CB-CB 4.26Å; P244-N303 HydrophobicContact CG-CB 4.33Å; P244-M305 HydrophobicContact CB-CB 4.32Å
245I93.7Very high90.8Very high46 Ų4659.4 Ų59.424%0.23632%0.318CS..EExtended strand (participates in β ladder)trans-68.8132.1169.8-58.4175.3000108R235 F247 F304R235-I245 HydrophobicContact CB-CG2 4.09Å; I245-F247 HydrophobicContact CB-CD2 4.35Å; I245-F247 HydrophobicContact CB-CE2 3.61Å; I245-F247 HydrophobicContact CB-CZ 3.88Å; I245-F247 HydrophobicContact CD1-CZ 4.41Å; I245-F247 HydrophobicContact CG2-CD1 4.42Å; I245-F247 HydrophobicContact CG2-CD2 4.06Å; I245-F247 HydrophobicContact CG2-CE1 3.93Å; I245-F247 HydrophobicContact CG2-CE2 3.51Å; I245-F247 HydrophobicContact CG2-CG 4.49Å; I245-F247 HydrophobicContact CG2-CZ 3.46Å; I245-F247 VanDerWaalsContact CG2-CZ 3.46Å; I245-F247 WeakPolarHBondContact O-CD2 3.42Å; I245-F304 PolarHBondContact N-O 3.35Å; I245-F304 PolarHBondContact O-N 2.96Å
246I95.9Very high90.8Very high40 Ų4063.5 Ų63.521%0.20534%0.339CS..EExtended strand (participates in β ladder)trans-93.1120.5175.9-55.1174.7000108.2R235 K236 P244 Y248 V301 L302R235-I246 CarbonylContact C-O 3.54Å; R235-I246 VanDerWaalsContact CA-O 3.25Å; R235-I246 WeakPolarHBondContact CA-O 3.32Å; K236-I246 HydrophobicContact CB-CB 4.5Å; K236-I246 PolarHBondContact N-O 3.46Å; K236-I246 PolarHBondContact O-N 2.8Å; P244-I246 PolarHBondContact O-N 3.25Å; I246-Y248 HydrophobicContact CG2-CD2 4.48Å; I246-Y248 HydrophobicContact CG2-CE1 4.15Å; I246-Y248 HydrophobicContact CG2-CE2 3.93Å; I246-V301 HydrophobicContact CG2-CG1 3.61Å; I246-L302 CarbonylContact C-O 3.58Å; I246-L302 WeakPolarHBondContact CA-O 3.36Å
247F97.6Very high90.9Very high4 Ų463 Ų632%0.01834%0.338CS..EExtended strand (participates in β ladder)trans-107.6111.9177.7-63.4-86.8000110.7L208 F216 Y234 R235 I245 T249 Y300 V301 L302 F304L208-F247 HydrophobicContact CD1-CD2 4.22Å; L208-F247 HydrophobicContact CD1-CE2 4.45Å; L208-F247 HydrophobicContact CD2-CB 4.32Å; L208-F247 HydrophobicContact CD2-CD1 4.1Å; L208-F247 HydrophobicContact CD2-CD2 3.98Å; L208-F247 HydrophobicContact CD2-CE1 4.4Å; L208-F247 HydrophobicContact CD2-CE2 4.29Å; L208-F247 HydrophobicContact CD2-CG 3.87Å; L208-F247 HydrophobicContact CD2-CZ 4.48Å; F216-F247 HydrophobicContact CB-CD1 4.06Å; F216-F247 HydrophobicContact CB-CE1 4.36Å; F216-F247 HydrophobicContact CD1-CB 4.17Å; F216-F247 AromaticContact CD1-CD1 3.73Å; F216-F247 HydrophobicContact CD1-CD1 3.73Å; F216-F247 HydrophobicContact CD1-CG 4.44Å; F216-F247 AromaticContact CD2-CD1 4Å; F216-F247 HydrophobicContact CD2-CD1 4Å; F216-F247 HydrophobicContact CD2-CE1 4.3Å; F216-F247 HydrophobicContact CE1-CB 4Å; F216-F247 HydrophobicContact CE1-CD1 4.09Å; F216-F247 HydrophobicContact CE1-CG 4.49Å; F216-F247 HydrophobicContact CE2-CD1 4.34Å; F216-F247 AromaticContact CG-CD1 3.67Å; F216-F247 HydrophobicContact CG-CD1 3.67Å; F216-F247 HydrophobicContact CG-CE1 4.23Å; F216-F247 HydrophobicContact CZ-CD1 4.39Å; Y234-F247 CarbonylContact O-C 3.47Å; Y234-F247 WeakPolarHBondContact O-CA 3.1Å; R235-F247 HydrophobicContact CB-CD1 3.96Å; R235-F247 HydrophobicContact CB-CE1 4.05Å; I245-F247 HydrophobicContact CB-CD2 4.35Å; I245-F247 HydrophobicContact CB-CE2 3.61Å; I245-F247 HydrophobicContact CB-CZ 3.88Å; I245-F247 HydrophobicContact CD1-CZ 4.41Å; I245-F247 HydrophobicContact CG2-CD1 4.42Å; I245-F247 HydrophobicContact CG2-CD2 4.06Å; I245-F247 HydrophobicContact CG2-CE1 3.93Å; I245-F247 HydrophobicContact CG2-CE2 3.51Å; I245-F247 HydrophobicContact CG2-CG 4.49Å; I245-F247 HydrophobicContact CG2-CZ 3.46Å; I245-F247 VanDerWaalsContact CG2-CZ 3.46Å; I245-F247 WeakPolarHBondContact O-CD2 3.42Å; F247-T249 PolarHBondContact O-N 3.23Å; F247-Y300 VanDerWaalsContact O-O 3.11Å; F247-V301 WeakPolarHBondContact O-CA 3.39Å; F247-L302 HydrophobicContact CB-CB 4.23Å; F247-L302 PolarHBondContact N-O 3.41Å; F247-L302 PolarHBondContact O-N 3.33Å; F247-F304 HydrophobicContact CD2-CB 4.24Å; F247-F304 HydrophobicContact CE2-CB 3.93Å; F247-F304 HydrophobicContact CE2-CD1 4.26Å
248Y97.8Very high91.4Very high38 Ų3855.2 Ų55.215%0.14930%0.304CS..EExtended strand (participates in β ladder)trans-84.885.3171.3-57.6-80.4000109.3L219 G233 Y234 K236 I246 V290 V299 V301L219-Y248 HydrophobicContact CD1-CD2 4.21Å; L219-Y248 HydrophobicContact CD1-CE2 3.66Å; L219-Y248 HydrophobicContact CD2-CD2 4.39Å; L219-Y248 HydrophobicContact CG-CD2 4.43Å; L219-Y248 HydrophobicContact CG-CE2 4.34Å; G233-Y248 CarbonylContact C-O 3.58Å; G233-Y248 WeakPolarHBondContact CA-O 3.37Å; Y234-Y248 PolarHBondContact N-O 2.92Å; Y234-Y248 PolarHBondContact O-N 2.96Å; K236-Y248 HydrophobicContact CB-CE2 4.05Å; I246-Y248 HydrophobicContact CG2-CD2 4.48Å; I246-Y248 HydrophobicContact CG2-CE1 4.15Å; I246-Y248 HydrophobicContact CG2-CE2 3.93Å; Y248-V290 HydrophobicContact CD1-CB 3.67Å; Y248-V290 HydrophobicContact CD1-CG1 4.38Å; Y248-V290 HydrophobicContact CD1-CG2 3.84Å; Y248-V290 HydrophobicContact CD2-CG2 4.04Å; Y248-V290 HydrophobicContact CE1-CB 4.14Å; Y248-V290 HydrophobicContact CE1-CG2 4Å; Y248-V290 HydrophobicContact CE2-CG2 4.2Å; Y248-V290 HydrophobicContact CG-CB 3.92Å; Y248-V290 HydrophobicContact CG-CG1 4.26Å; Y248-V290 HydrophobicContact CG-CG2 3.85Å; Y248-V299 HydrophobicContact CD1-CG2 4.01Å; Y248-V301 HydrophobicContact CD1-CG2 4.02Å; Y248-V301 HydrophobicContact CE1-CG1 4.34Å; Y248-V301 HydrophobicContact CE1-CG2 4.24Å
249T98.5Very high92.1Very high0 Ų054.3 Ų54.30%030%0.295CS..EExtended strand (participates in β ladder)trans-84.3130.2-171.4-49.30000111.4F216 F247 A253 F254 I258 V299 Y300F216-T249 HydrophobicContact CE1-CG2 4.04Å; F216-T249 WeakPolarHBondContact CE1-OG1 3.5Å; F216-T249 HydrophobicContact CZ-CG2 4.1Å; F247-T249 PolarHBondContact O-N 3.23Å; T249-A253 HydrophobicContact CG2-CB 4.11Å; T249-F254 HydrophobicContact CG2-CB 3.99Å; T249-I258 HydrophobicContact CG2-CD1 3.8Å; T249-V299 CarbonylContact O-C 3.51Å; T249-V299 WeakPolarHBondContact O-CA 3.15Å; T249-V299 WeakPolarHBondContact O-CB 3.42Å; T249-Y300 PolarHBondContact N-O 2.76Å; T249-Y300 PolarHBondContact O-N 2.75Å
250F98.1Very high92.8Very high41 Ų4155.1 Ų55.118%0.1829%0.292CS..  trans-65.1146.3175.8-64-36.3000111.8L231 A232 Y234 A252 A253 F254 I297 V299L231-F250 HydrophobicContact CD2-CE2 3.86Å; L231-F250 HydrophobicContact CD2-CZ 4.14Å; L231-F250 HydrophobicContact CG-CE2 3.94Å; A232-F250 PolarHBondContact O-N 3.02Å; Y234-F250 HydrophobicContact CD2-CE1 4.05Å; Y234-F250 HydrophobicContact CD2-CZ 4.14Å; Y234-F250 AromaticContact CE2-CE1 3.56Å; Y234-F250 HydrophobicContact CE2-CE1 3.56Å; Y234-F250 AromaticContact CE2-CZ 3.47Å; Y234-F250 HydrophobicContact CE2-CZ 3.47Å; Y234-F250 VanDerWaalsContact CE2-CZ 3.47Å; Y234-F250 AromaticContact CZ-CZ 3.99Å; F250-A252 VanDerWaalsContact C-N 3.27Å; F250-A252 PolarHBondContact O-N 3.17Å; F250-A253 PolarHBondContact O-N 3.15Å; F250-A253 VanDerWaalsContact O-N 3.17Å; F250-F254 PolarHBondContact O-N 2.83Å; F250-I297 HydrophobicContact CD1-CG2 3.99Å; F250-I297 HydrophobicContact CE1-CG2 3.71Å; F250-V299 HydrophobicContact CD1-CG1 4.09Å; F250-V299 HydrophobicContact CE1-CG1 4.45Å
251P97.8Very high93.2Very high32 Ų3252.5 Ų52.521%0.20830%0.303CS..Hα-helixtrans-54.7-40.5179.2-28.635.4000113.2F254 E255 R298 Y300P251-F254 PolarHBondContact O-N 3.39Å; P251-E255 WeakPolarHBondContact O-CB 3.16Å; P251-E255 WeakPolarHBondContact O-CG 3.46Å; P251-E255 PolarHBondContact O-N 2.77Å; P251-R298 VanDerWaalsContact CD-O 3.23Å; P251-R298 WeakPolarHBondContact CD-O 3.36Å; P251-R298 HydrophobicContact CG-CB 4.46Å; P251-Y300 HydrophobicContact CB-CE2 4.26Å
252A97.3Very high94.2Very high55 Ų5546.2 Ų46.246%0.45527%0.267SS..Hα-helixtrans-61.9-47.7178.600000112.3F250 E255 Q256F250-A252 VanDerWaalsContact C-N 3.27Å; F250-A252 PolarHBondContact O-N 3.17Å; A252-E255 PolarHBondContact O-N 2.73Å; A252-Q256 VanDerWaalsContact O-CB 3.22Å; A252-Q256 WeakPolarHBondContact O-CB 3.23Å; A252-Q256 WeakPolarHBondContact O-CG 3.19Å; A252-Q256 PolarHBondContact O-N 3.23Å
253A98Very high94.9Very high4 Ų448.5 Ų48.53%0.03327%0.268CS..Hα-helixtrans-63-44.9177.400000111.3A232 T249 F250 E257 I258A232-A253 HydrophobicContact CB-CB 3.81Å; T249-A253 HydrophobicContact CG2-CB 4.11Å; F250-A253 PolarHBondContact O-N 3.15Å; F250-A253 VanDerWaalsContact O-N 3.17Å; A253-E257 WeakPolarHBondContact O-CA 3.32Å; A253-E257 VanDerWaalsContact O-CB 3.25Å; A253-E257 WeakPolarHBondContact O-CB 3.49Å; A253-E257 PolarHBondContact O-N 3.29Å; A253-E257 VanDerWaalsContact O-N 3.11Å; A253-I258 PolarHBondContact O-N 3.21Å
254F98.5Very high95.5Very high0 Ų047.4 Ų47.40%026%0.264CS..Iπ-helixtrans-63.1-49.6177.9-174-92.4000112.1T249 F250 P251 I258 A259 T264 F267 A268 L271 L277 Y300 L302T249-F254 HydrophobicContact CG2-CB 3.99Å; F250-F254 PolarHBondContact O-N 2.83Å; P251-F254 PolarHBondContact O-N 3.39Å; F254-I258 HydrophobicContact CD2-CD1 4.32Å; F254-I258 PolarHBondContact O-N 3.12Å; F254-A259 HydrophobicContact CE1-CB 4.34Å; F254-A259 VanDerWaalsContact O-CB 3.23Å; F254-A259 WeakPolarHBondContact O-CB 3.37Å; F254-A259 PolarHBondContact O-N 2.87Å; F254-T264 HydrophobicContact CD1-CG2 4.18Å; F254-T264 HydrophobicContact CE1-CG2 3.99Å; F254-F267 HydrophobicContact CE1-CD1 4.36Å; F254-F267 HydrophobicContact CE2-CD1 4.31Å; F254-F267 HydrophobicContact CE2-CE1 4.41Å; F254-F267 AromaticContact CZ-CD1 3.74Å; F254-F267 HydrophobicContact CZ-CD1 3.74Å; F254-F267 HydrophobicContact CZ-CE1 4.28Å; F254-A268 HydrophobicContact CE1-CB 4.29Å; F254-A268 HydrophobicContact CZ-CB 4.16Å; F254-L271 HydrophobicContact CE2-CD1 3.9Å; F254-L271 HydrophobicContact CZ-CD1 4.16Å; F254-L277 HydrophobicContact CE2-CD1 4.45Å; F254-L277 HydrophobicContact CZ-CD1 4.26Å; F254-Y300 HydrophobicContact CB-CD2 3.51Å; F254-Y300 HydrophobicContact CB-CE2 3.97Å; F254-Y300 HydrophobicContact CB-CG 4.01Å; F254-Y300 AromaticContact CD1-CD1 3.76Å; F254-Y300 HydrophobicContact CD1-CD1 3.76Å; F254-Y300 AromaticContact CD1-CD2 3.63Å; F254-Y300 HydrophobicContact CD1-CD2 3.63Å; F254-Y300 AromaticContact CD1-CE1 3.64Å; F254-Y300 HydrophobicContact CD1-CE1 3.64Å; F254-Y300 AromaticContact CD1-CE2 3.53Å; F254-Y300 HydrophobicContact CD1-CE2 3.53Å; F254-Y300 AromaticContact CD1-CG 3.75Å; F254-Y300 HydrophobicContact CD1-CG 3.75Å; F254-Y300 AromaticContact CD1-CZ 3.54Å; F254-Y300 HydrophobicContact CD2-CD1 4.21Å; F254-Y300 HydrophobicContact CD2-CD2 4.24Å; F254-Y300 AromaticContact CD2-CG 3.86Å; F254-Y300 HydrophobicContact CD2-CG 3.86Å; F254-Y300 AromaticContact CE1-CD1 3.71Å; F254-Y300 HydrophobicContact CE1-CD1 3.71Å; F254-Y300 HydrophobicContact CE1-CD2 4.42Å; F254-Y300 AromaticContact CE1-CE1 3.51Å; F254-Y300 HydrophobicContact CE1-CE1 3.51Å; F254-Y300 HydrophobicContact CE1-CE2 4.28Å; F254-Y300 HydrophobicContact CE1-CG 4.15Å; F254-Y300 AromaticContact CE1-CZ 3.83Å; F254-Y300 HydrophobicContact CE2-CD1 4.17Å; F254-Y300 HydrophobicContact CE2-CG 4.27Å; F254-Y300 HydrophobicContact CG-CD1 4Å; F254-Y300 AromaticContact CG-CD2 3.51Å; F254-Y300 HydrophobicContact CG-CD2 3.51Å; F254-Y300 HydrophobicContact CG-CE1 4.33Å; F254-Y300 AromaticContact CG-CE2 3.91Å; F254-Y300 HydrophobicContact CG-CE2 3.91Å; F254-Y300 AromaticContact CG-CG 3.57Å; F254-Y300 HydrophobicContact CG-CG 3.57Å; F254-Y300 AromaticContact CZ-CD1 3.91Å; F254-Y300 HydrophobicContact CZ-CD1 3.91Å; F254-Y300 HydrophobicContact CZ-CE1 4.11Å; F254-Y300 HydrophobicContact CZ-CG 4.39Å; F254-L302 HydrophobicContact CD2-CD1 4.26Å; F254-L302 HydrophobicContact CD2-CD2 4.43Å; F254-L302 HydrophobicContact CE2-CD1 4.37Å; F254-L302 HydrophobicContact CE2-CD2 3.95Å
255E97.7Very high95.8Very high73 Ų7352.4 Ų52.434%0.34128%0.281SS..Iπ-helixtrans-79.2-35.2-170-63.1175.9-167.300113P251 A252 T264 Q287 Y300P251-E255 WeakPolarHBondContact O-CB 3.16Å; P251-E255 WeakPolarHBondContact O-CG 3.46Å; P251-E255 PolarHBondContact O-N 2.77Å; A252-E255 PolarHBondContact O-N 2.73Å; E255-T264 HydrophobicContact CB-CG2 4.46Å; E255-T264 HydrophobicContact CG-CG2 3.68Å; E255-Q287 PolarHBondContact OE1-NE2 2.78Å; E255-Y300 HydrophobicContact CG-CE2 4.21Å; E255-Y300 PolarHBondContact OE1-OH 3Å
256Q96.5Very high95.8Very high137 Ų13753.9 Ų53.964%0.6429%0.287SS*.Iπ-helixtrans-100.6-21-172.6-54.6-178.710.500113.4A252 K260A252-Q256 VanDerWaalsContact O-CB 3.22Å; A252-Q256 WeakPolarHBondContact O-CB 3.23Å; A252-Q256 WeakPolarHBondContact O-CG 3.19Å; A252-Q256 PolarHBondContact O-N 3.23Å; Q256-K260 WeakPolarHBondContact O-CB 3.26Å
257E97.1Very high95.8Very high76 Ų7652 Ų5236%0.35528%0.277SS..Iπ-helixtrans-115.6-58.9-177-49.2-176.6-121.500111.5F207 R215 A253 K260F207-E257 HydrophobicContact CE2-CB 3.8Å; F207-E257 HydrophobicContact CZ-CB 4.43Å; R215-E257 IonicContact CZ-OE1 2.79Å; R215-E257 IonicContact CZ-OE2 2.81Å; R215-E257 IonicContact NH1-OE1 2.68Å; R215-E257 IonicContact NH1-OE2 3.46Å; R215-E257 PolarHBondContact NH1-OE2 2.81Å; R215-E257 IonicContact NH2-OE1 3.31Å; R215-E257 PolarHBondContact NH2-OE1 3.23Å; R215-E257 IonicContact NH2-OE2 3.79Å; R215-E257 PolarHBondContact NH2-OE2 2.78Å; R215-E257 VanDerWaalsContact NH2-OE2 3.17Å; A253-E257 WeakPolarHBondContact O-CA 3.32Å; A253-E257 VanDerWaalsContact O-CB 3.25Å; A253-E257 WeakPolarHBondContact O-CB 3.49Å; A253-E257 PolarHBondContact O-N 3.29Å; A253-E257 VanDerWaalsContact O-N 3.11Å; E257-K260 VanDerWaalsContact O-CB 3.25Å; E257-K260 WeakPolarHBondContact O-CB 3.32Å; E257-K260 PolarHBondContact O-N 2.85Å
258I97.2Very high95.7Very high1 Ų151.8 Ų51.81%0.00528%0.276CS..Iπ-helixtrans-69.6-52.4-176-53.2-177.8000110.7Q203 T204 F207 T249 A253 F254 K260 F267 L302Q203-I258 WeakPolarHBondContact CG-O 3.19Å; Q203-I258 PolarHBondContact NE2-O 2.78Å; T204-I258 HydrophobicContact CG2-CG2 4.2Å; F207-I258 HydrophobicContact CB-CG1 4.27Å; F207-I258 HydrophobicContact CD1-CD1 3.64Å; F207-I258 HydrophobicContact CD1-CG1 3.62Å; F207-I258 HydrophobicContact CD2-CG1 3.93Å; F207-I258 HydrophobicContact CE1-CD1 3.82Å; F207-I258 HydrophobicContact CE1-CG1 3.84Å; F207-I258 HydrophobicContact CE2-CG1 4.13Å; F207-I258 HydrophobicContact CG-CD1 4.18Å; F207-I258 HydrophobicContact CG-CG1 3.67Å; F207-I258 HydrophobicContact CZ-CD1 4.49Å; F207-I258 HydrophobicContact CZ-CG1 4.09Å; T249-I258 HydrophobicContact CG2-CD1 3.8Å; A253-I258 PolarHBondContact O-N 3.21Å; F254-I258 HydrophobicContact CD2-CD1 4.32Å; F254-I258 PolarHBondContact O-N 3.12Å; I258-K260 PolarHBondContact O-N 3.35Å; I258-F267 HydrophobicContact CG2-CE1 3.89Å; I258-F267 HydrophobicContact CG2-CZ 4.05Å; I258-F267 WeakPolarHBondContact O-CZ 3.1Å; I258-L302 HydrophobicContact CD1-CD1 4.06Å
259A96.2Very high95.6Very high1 Ų152.7 Ų52.71%0.00828%0.282CS..THydrogen-bonded Turntrans-83.911.7179.900000113.3F254 G261 F262 F267F254-A259 HydrophobicContact CE1-CB 4.34Å; F254-A259 VanDerWaalsContact O-CB 3.23Å; F254-A259 WeakPolarHBondContact O-CB 3.37Å; F254-A259 PolarHBondContact O-N 2.87Å; A259-G261 PolarHBondContact O-N 3.38Å; A259-F262 PolarHBondContact O-N 2.94Å; A259-F267 HydrophobicContact CB-CB 4.09Å; A259-F267 HydrophobicContact CB-CD1 3.81Å; A259-F267 HydrophobicContact CB-CD2 3.95Å; A259-F267 HydrophobicContact CB-CE1 4.17Å; A259-F267 HydrophobicContact CB-CE2 4.33Å; A259-F267 HydrophobicContact CB-CG 3.69Å; A259-F267 HydrophobicContact CB-CZ 4.43Å
260K94Very high95.4Very high146 Ų14653 Ų5364%0.63528%0.284SS*.THydrogen-bonded Turntrans-56.7126.3-175.4-171.7176.6-178.2175.40111.1Q203 Q256 E257 I258Q203-K260 PolarHBondContact NE2-O 3.44Å; Q256-K260 WeakPolarHBondContact O-CB 3.26Å; E257-K260 VanDerWaalsContact O-CB 3.25Å; E257-K260 WeakPolarHBondContact O-CB 3.32Å; E257-K260 PolarHBondContact O-N 2.85Å; I258-K260 PolarHBondContact O-N 3.35Å
261G87.6Confident95.4Very high83 Ų8351.1 Ų51.186%0.85628%0.275SS*.THydrogen-bonded Turntrans90.2-4-179.400000114.9A259A259-G261 PolarHBondContact O-N 3.38Å
262F90.6Very high95.3Very high39 Ų3953.1 Ų53.117%0.17128%0.281CS..SBendtrans-116.9164.7179.2-65.4-88.6000112.1E196 Q199 I200 A259 T264 F267E196-F262 HydrophobicContact CG-CD1 4.35Å; E196-F262 HydrophobicContact CG-CE1 3.93Å; Q199-F262 HydrophobicContact CB-CZ 4.15Å; I200-F262 HydrophobicContact CD1-CD1 4.22Å; I200-F262 HydrophobicContact CD1-CE1 4.44Å; I200-F262 HydrophobicContact CG1-CD1 3.98Å; I200-F262 HydrophobicContact CG1-CE1 3.94Å; I200-F262 HydrophobicContact CG1-CG 4.36Å; I200-F262 HydrophobicContact CG1-CZ 4.3Å; A259-F262 PolarHBondContact O-N 2.94Å; F262-T264 PolarHBondContact O-N 2.96Å; F262-F267 HydrophobicContact CB-CB 4.42Å; F262-F267 HydrophobicContact CB-CD2 3.64Å; F262-F267 HydrophobicContact CB-CE2 4.43Å; F262-F267 HydrophobicContact CB-CG 4.48Å; F262-F267 AromaticContact CD2-CD2 3.82Å; F262-F267 HydrophobicContact CD2-CD2 3.82Å; F262-F267 AromaticContact CD2-CE2 3.76Å; F262-F267 HydrophobicContact CD2-CE2 3.76Å; F262-F267 HydrophobicContact CE2-CE2 4.25Å; F262-F267 AromaticContact CG-CD2 3.74Å; F262-F267 HydrophobicContact CG-CD2 3.74Å; F262-F267 HydrophobicContact CG-CE2 4.16Å
263N92.2Very high95.1Very high96 Ų9655.9 Ų55.951%0.51329%0.288SS..  trans-72.2118.9165-179.4-73.9000109.3K265 Q266 F267N263-K265 VanDerWaalsContact C-N 3.3Å; N263-K265 PolarHBondContact O-N 3.18Å; N263-K265 WeakPolarHBondContact OD1-CB 3.44Å; N263-K265 PolarHBondContact OD1-N 3.38Å; N263-Q266 HydrophobicContact CB-CB 4.1Å; N263-Q266 PolarHBondContact O-N 3.34Å; N263-Q266 PolarHBondContact OD1-N 3.18Å; N263-Q266 VanDerWaalsContact OD1-N 3.16Å; N263-F267 WeakPolarHBondContact O-CB 3.48Å; N263-F267 PolarHBondContact O-N 2.94Å
264T95.1Very high94.8Very high39 Ų3958 Ų5824%0.23931%0.305CS..Hα-helixtrans-53.9-40.5-176.6-50.30000114.2F254 E255 F262 F267 A268F254-T264 HydrophobicContact CD1-CG2 4.18Å; F254-T264 HydrophobicContact CE1-CG2 3.99Å; E255-T264 HydrophobicContact CB-CG2 4.46Å; E255-T264 HydrophobicContact CG-CG2 3.68Å; F262-T264 PolarHBondContact O-N 2.96Å; T264-F267 PolarHBondContact O-N 3.29Å; T264-A268 WeakPolarHBondContact O-CB 3.14Å; T264-A268 PolarHBondContact O-N 2.6Å
265K94.8Very high94.6Very high150 Ų15060.4 Ų60.465%0.65233%0.33SS*.Hα-helixtrans-69.4-44.1-178.1-69.4-176179.4178.90110.9N263 F267 A268 E269 Y286N263-K265 VanDerWaalsContact C-N 3.3Å; N263-K265 PolarHBondContact O-N 3.18Å; N263-K265 WeakPolarHBondContact OD1-CB 3.44Å; N263-K265 PolarHBondContact OD1-N 3.38Å; K265-F267 VanDerWaalsContact C-N 3.33Å; K265-A268 PolarHBondContact O-N 3.03Å; K265-E269 PolarHBondContact O-N 3.03Å; K265-Y286 HydrophobicContact CB-CE2 4.16Å; K265-Y286 HydrophobicContact CG-CE2 4.36Å
266Q92.4Very high94.6Very high77 Ų7757.8 Ų57.836%0.3632%0.318SS..Hα-helixtrans-63.2-42.7175.2-173-174.8-9.100110.9E196 N263 A268 E269 V270E196-Q266 PolarHBondContact OE1-NE2 2.95Å; N263-Q266 HydrophobicContact CB-CB 4.1Å; N263-Q266 PolarHBondContact O-N 3.34Å; N263-Q266 PolarHBondContact OD1-N 3.18Å; N263-Q266 VanDerWaalsContact OD1-N 3.16Å; Q266-A268 PolarHBondContact O-N 3.02Å; Q266-E269 PolarHBondContact O-N 3.09Å; Q266-V270 WeakPolarHBondContact O-CG2 3.43Å; Q266-V270 PolarHBondContact O-N 3.46Å
267F96.1Very high94.6Very high0 Ų051.4 Ų51.40%029%0.289CS..Hα-helixtrans-57.1-49.2176.2-161.8-82.2000111.4I200 T204 F254 I258 A259 F262 N263 T264 K265 E269 V270 L271I200-F267 HydrophobicContact CB-CD2 4.08Å; I200-F267 HydrophobicContact CB-CE2 3.89Å; I200-F267 HydrophobicContact CB-CZ 4.35Å; I200-F267 HydrophobicContact CD1-CD2 4.17Å; I200-F267 HydrophobicContact CG1-CD2 3.53Å; I200-F267 HydrophobicContact CG1-CE2 3.69Å; I200-F267 HydrophobicContact CG1-CG 4.33Å; I200-F267 HydrophobicContact CG2-CD1 3.95Å; I200-F267 HydrophobicContact CG2-CD2 3.71Å; I200-F267 HydrophobicContact CG2-CE1 3.91Å; I200-F267 HydrophobicContact CG2-CE2 3.65Å; I200-F267 HydrophobicContact CG2-CG 3.85Å; I200-F267 HydrophobicContact CG2-CZ 3.76Å; I200-F267 WeakPolarHBondContact O-CZ 3.48Å; T204-F267 WeakPolarHBondContact OG1-CE1 3.5Å; T204-F267 WeakPolarHBondContact OG1-CZ 3.39Å; F254-F267 HydrophobicContact CE1-CD1 4.36Å; F254-F267 HydrophobicContact CE2-CD1 4.31Å; F254-F267 HydrophobicContact CE2-CE1 4.41Å; F254-F267 AromaticContact CZ-CD1 3.74Å; F254-F267 HydrophobicContact CZ-CD1 3.74Å; F254-F267 HydrophobicContact CZ-CE1 4.28Å; I258-F267 HydrophobicContact CG2-CE1 3.89Å; I258-F267 HydrophobicContact CG2-CZ 4.05Å; I258-F267 WeakPolarHBondContact O-CZ 3.1Å; A259-F267 HydrophobicContact CB-CB 4.09Å; A259-F267 HydrophobicContact CB-CD1 3.81Å; A259-F267 HydrophobicContact CB-CD2 3.95Å; A259-F267 HydrophobicContact CB-CE1 4.17Å; A259-F267 HydrophobicContact CB-CE2 4.33Å; A259-F267 HydrophobicContact CB-CG 3.69Å; A259-F267 HydrophobicContact CB-CZ 4.43Å; F262-F267 HydrophobicContact CB-CB 4.42Å; F262-F267 HydrophobicContact CB-CD2 3.64Å; F262-F267 HydrophobicContact CB-CE2 4.43Å; F262-F267 HydrophobicContact CB-CG 4.48Å; F262-F267 AromaticContact CD2-CD2 3.82Å; F262-F267 HydrophobicContact CD2-CD2 3.82Å; F262-F267 AromaticContact CD2-CE2 3.76Å; F262-F267 HydrophobicContact CD2-CE2 3.76Å; F262-F267 HydrophobicContact CE2-CE2 4.25Å; F262-F267 AromaticContact CG-CD2 3.74Å; F262-F267 HydrophobicContact CG-CD2 3.74Å; F262-F267 HydrophobicContact CG-CE2 4.16Å; N263-F267 WeakPolarHBondContact O-CB 3.48Å; N263-F267 PolarHBondContact O-N 2.94Å; T264-F267 PolarHBondContact O-N 3.29Å; K265-F267 VanDerWaalsContact C-N 3.33Å; F267-E269 PolarHBondContact O-N 3Å; F267-V270 PolarHBondContact O-N 2.79Å; F267-L271 HydrophobicContact CD1-CD1 3.83Å; F267-L271 HydrophobicContact CD1-CG 4.22Å; F267-L271 HydrophobicContact CE1-CD1 3.62Å; F267-L271 HydrophobicContact CE1-CG 4.16Å; F267-L271 WeakPolarHBondContact O-CG 3.25Å; F267-L271 PolarHBondContact O-N 2.65Å; F267-L271 VanDerWaalsContact O-N 3.08Å
268A97.1Very high94.6Very high0 Ų050.7 Ų50.70%029%0.29CS..Hα-helixtrans-65.5-36.817800000113.2F254 T264 K265 Q266 K272 L277 Y286 Y300F254-A268 HydrophobicContact CE1-CB 4.29Å; F254-A268 HydrophobicContact CZ-CB 4.16Å; T264-A268 WeakPolarHBondContact O-CB 3.14Å; T264-A268 PolarHBondContact O-N 2.6Å; K265-A268 PolarHBondContact O-N 3.03Å; Q266-A268 PolarHBondContact O-N 3.02Å; A268-K272 VanDerWaalsContact O-CB 3.32Å; A268-K272 WeakPolarHBondContact O-CB 3.47Å; A268-K272 PolarHBondContact O-N 3.02Å; A268-L277 HydrophobicContact CB-CD1 3.88Å; A268-Y286 HydrophobicContact CB-CD1 3.62Å; A268-Y286 HydrophobicContact CB-CD2 3.79Å; A268-Y286 HydrophobicContact CB-CE1 4.12Å; A268-Y286 HydrophobicContact CB-CE2 4.28Å; A268-Y286 HydrophobicContact CB-CG 3.44Å; A268-Y286 VanDerWaalsContact CB-CG 3.44Å; A268-Y300 HydrophobicContact CB-CE1 4.24Å
269E95.5Very high94.4Very high56 Ų5653.4 Ų53.426%0.26231%0.307SS..Hα-helixtrans-65.3-40.7175.4-169.263.3-153.700111.9K265 Q266 F267 K272 N273 Y286K265-E269 PolarHBondContact O-N 3.03Å; Q266-E269 PolarHBondContact O-N 3.09Å; F267-E269 PolarHBondContact O-N 3Å; E269-K272 WeakPolarHBondContact O-CB 3.48Å; E269-K272 PolarHBondContact O-N 2.74Å; E269-K272 IonicContact OE1-NZ 3.13Å; E269-K272 PolarHBondContact OE1-NZ 3.07Å; E269-K272 IonicContact OE2-NZ 3.11Å; E269-K272 PolarHBondContact OE2-NZ 2.85Å; E269-N273 VanDerWaalsContact O-CG 3.23Å; E269-N273 PolarHBondContact O-N 3.48Å; E269-N273 PolarHBondContact O-ND2 2.77Å; E269-Y286 HydrophobicContact CB-CE1 4.23Å; E269-Y286 WeakPolarHBondContact OE2-CE1 3.35Å; E269-Y286 VanDerWaalsContact OE2-CZ 3.26Å; E269-Y286 PolarHBondContact OE2-OH 3.34Å
270V94.5Very high94.3Very high8 Ų854.3 Ų54.35%0.04831%0.313CS..Hα-helixtrans-62.8-48.5176.3169.60000110.8H197 I200 Q266 F267 K272 N273 A274H197-V270 HydrophobicContact CB-CG1 3.79Å; H197-V270 VanDerWaalsContact CD2-CG2 3.42Å; H197-V270 WeakPolarHBondContact CD2-CG2 3.45Å; I200-V270 HydrophobicContact CB-CG1 3.99Å; I200-V270 HydrophobicContact CD1-CB 4.01Å; I200-V270 HydrophobicContact CD1-CG1 4.13Å; I200-V270 HydrophobicContact CD1-CG2 3.81Å; I200-V270 HydrophobicContact CG2-CB 3.98Å; I200-V270 HydrophobicContact CG2-CG1 3.69Å; Q266-V270 WeakPolarHBondContact O-CG2 3.43Å; Q266-V270 PolarHBondContact O-N 3.46Å; F267-V270 PolarHBondContact O-N 2.79Å; V270-K272 VanDerWaalsContact C-N 3.29Å; V270-K272 PolarHBondContact O-N 2.94Å; V270-N273 PolarHBondContact O-N 2.74Å; V270-A274 WeakPolarHBondContact O-CB 3.34Å; V270-A274 PolarHBondContact O-N 2.87Å
271L97Very high94Very high0 Ų055 Ų550%033%0.33CS..Hα-helixtrans-62.6-36.7177.5-66.9-176.5000112.5I200 I201 T204 F254 F267 A274 G275 M276 L277 L302I200-L271 HydrophobicContact CG2-CD2 3.81Å; I200-L271 HydrophobicContact CG2-CG 3.96Å; I201-L271 HydrophobicContact CG1-CD2 4.47Å; T204-L271 HydrophobicContact CG2-CD1 4.05Å; T204-L271 HydrophobicContact CG2-CD2 4.26Å; F254-L271 HydrophobicContact CE2-CD1 3.9Å; F254-L271 HydrophobicContact CZ-CD1 4.16Å; F267-L271 HydrophobicContact CD1-CD1 3.83Å; F267-L271 HydrophobicContact CD1-CG 4.22Å; F267-L271 HydrophobicContact CE1-CD1 3.62Å; F267-L271 HydrophobicContact CE1-CG 4.16Å; F267-L271 WeakPolarHBondContact O-CG 3.25Å; F267-L271 PolarHBondContact O-N 2.65Å; F267-L271 VanDerWaalsContact O-N 3.08Å; L271-A274 PolarHBondContact O-N 3.06Å; L271-G275 PolarHBondContact O-N 2.83Å; L271-M276 HydrophobicContact CB-CB 4.21Å; L271-M276 HydrophobicContact CD2-CB 4.09Å; L271-M276 HydrophobicContact CD2-SD 3.82Å; L271-M276 PolarHBondContact O-N 2.85Å; L271-L277 HydrophobicContact CB-CB 3.71Å; L271-L277 HydrophobicContact CB-CD1 4.44Å; L271-L277 PolarHBondContact O-N 3.05Å; L271-L277 VanDerWaalsContact O-N 3.12Å; L271-L302 HydrophobicContact CD1-CD2 3.98Å
272K95.9Very high94Very high75 Ų7555 Ų5533%0.32632%0.316SS..Hα-helixtrans-61.2-47.7174171.5-170153.4-143.20110.7A268 E269 V270 A274 G275 L277 P279 Y286A268-K272 VanDerWaalsContact O-CB 3.32Å; A268-K272 WeakPolarHBondContact O-CB 3.47Å; A268-K272 PolarHBondContact O-N 3.02Å; E269-K272 WeakPolarHBondContact O-CB 3.48Å; E269-K272 PolarHBondContact O-N 2.74Å; E269-K272 IonicContact OE1-NZ 3.13Å; E269-K272 PolarHBondContact OE1-NZ 3.07Å; E269-K272 IonicContact OE2-NZ 3.11Å; E269-K272 PolarHBondContact OE2-NZ 2.85Å; V270-K272 VanDerWaalsContact C-N 3.29Å; V270-K272 PolarHBondContact O-N 2.94Å; K272-A274 PolarHBondContact O-N 2.84Å; K272-G275 PolarHBondContact O-N 2.85Å; K272-L277 HydrophobicContact CB-CB 4.48Å; K272-L277 HydrophobicContact CB-CD2 4.16Å; K272-P279 HydrophobicContact CD-CB 4.46Å; K272-P279 HydrophobicContact CD-CG 4.47Å; K272-Y286 HydrophobicContact CD-CE1 4.4Å
273N93Very high93.5Very high113 Ų11356.4 Ų56.460%0.60434%0.342SS*.Hα-helixtrans-67.9-26.5-179.8-67.1-21000112.5E269 V270 G275E269-N273 VanDerWaalsContact O-CG 3.23Å; E269-N273 PolarHBondContact O-N 3.48Å; E269-N273 PolarHBondContact O-ND2 2.77Å; V270-N273 PolarHBondContact O-N 2.74Å; N273-G275 VanDerWaalsContact C-N 3.3Å
274A92.7Very high93.1Very high48 Ų4862.1 Ų62.140%0.39736%0.356SS..THydrogen-bonded Turntrans-82-2172.400000113.9I201 V270 L271 K272 M276I201-A274 HydrophobicContact CD1-CB 3.88Å; I201-A274 HydrophobicContact CG1-CB 4.19Å; V270-A274 WeakPolarHBondContact O-CB 3.34Å; V270-A274 PolarHBondContact O-N 2.87Å; L271-A274 PolarHBondContact O-N 3.06Å; K272-A274 PolarHBondContact O-N 2.84Å; A274-M276 HydrophobicContact CB-CG 4.32Å; A274-M276 PolarHBondContact O-N 3.47Å
275G94.4Very high93Very high51 Ų5162.6 Ų62.653%0.52637%0.369SS..THydrogen-bonded Turntrans76.1-0.4-175.700000115L271 K272 N273 N303L271-G275 PolarHBondContact O-N 2.83Å; K272-G275 PolarHBondContact O-N 2.85Å; N273-G275 VanDerWaalsContact C-N 3.3Å; G275-N303 PolarHBondContact O-ND2 2.87Å
276M96.3Very high93.1Very high17 Ų1757.8 Ų57.88%0.08435%0.347CS..SBendtrans-80.2-13.3179.6-65.9-176.180.900113.7I201 T204 E205 L271 A274 L302 N303 F304I201-M276 HydrophobicContact CB-SD 4.27Å; I201-M276 HydrophobicContact CG1-SD 4.11Å; I201-M276 HydrophobicContact CG2-SD 3.8Å; T204-M276 HydrophobicContact CG2-CE 3.88Å; E205-M276 HydrophobicContact CG-CE 3.67Å; L271-M276 HydrophobicContact CB-CB 4.21Å; L271-M276 HydrophobicContact CD2-CB 4.09Å; L271-M276 HydrophobicContact CD2-SD 3.82Å; L271-M276 PolarHBondContact O-N 2.85Å; A274-M276 HydrophobicContact CB-CG 4.32Å; A274-M276 PolarHBondContact O-N 3.47Å; M276-L302 CarbonylContact O-C 3.43Å; M276-L302 WeakPolarHBondContact O-CA 3.44Å; M276-N303 PolarHBondContact O-N 2.97Å; M276-F304 HydrophobicContact CE-CD2 4.25Å
277L97.5Very high93.3Very high4 Ų455.9 Ų55.92%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-126.8127.2176.6-177.7154.7000111.2F254 A268 L271 K272 P279 Y286 Y300 V301 L302F254-L277 HydrophobicContact CE2-CD1 4.45Å; F254-L277 HydrophobicContact CZ-CD1 4.26Å; A268-L277 HydrophobicContact CB-CD1 3.88Å; L271-L277 HydrophobicContact CB-CB 3.71Å; L271-L277 HydrophobicContact CB-CD1 4.44Å; L271-L277 PolarHBondContact O-N 3.05Å; L271-L277 VanDerWaalsContact O-N 3.12Å; K272-L277 HydrophobicContact CB-CB 4.48Å; K272-L277 HydrophobicContact CB-CD2 4.16Å; L277-P279 WeakPolarHBondContact O-CD 3.25Å; L277-Y286 HydrophobicContact CD2-CD1 4.31Å; L277-Y300 HydrophobicContact CD1-CD1 3.96Å; L277-V301 CarbonylContact C-O 3.49Å; L277-V301 WeakPolarHBondContact CA-O 3.28Å; L277-L302 HydrophobicContact CB-CD2 4.05Å; L277-L302 HydrophobicContact CD1-CD2 4.07Å; L277-L302 HydrophobicContact CG-CD2 4.21Å
278T95.9Very high93.2Very high61 Ų6156.5 Ų56.537%0.37435%0.345SS..EExtended strand (participates in β ladder)trans-89.2115.1172.6-59.10000110.2V301 N303T278-V301 PolarHBondContact N-O 2.86Å; T278-N303 PolarHBondContact OG1-ND2 2.87Å
279P94.1Very high93Very high58 Ų5864.6 Ų64.638%0.37738%0.375SS..  trans-69.4158.6176.829.8-34.6000111.4K272 L277K272-P279 HydrophobicContact CD-CB 4.46Å; K272-P279 HydrophobicContact CD-CG 4.47Å; L277-P279 WeakPolarHBondContact O-CD 3.25Å
280P93.3Very high92.9Very high19 Ų1962.4 Ų62.412%0.12337%0.366CS..  trans-66.3150.3176.328.1-34.1000111.8S282 G283 R284 G285 Q287P280-S282 PolarHBondContact O-N 3.01Å; P280-S282 VanDerWaalsContact O-N 3.07Å; P280-G283 PolarHBondContact O-N 3.15Å; P280-R284 WeakPolarHBondContact CG-O 3.39Å; P280-G285 VanDerWaalsContact CD-O 3.28Å; P280-G285 WeakPolarHBondContact CD-O 3.22Å; P280-Q287 WeakPolarHBondContact CB-O 3.28Å
281T88.2Confident92.9Very high161 Ų16170.8 Ų70.899%0.98840%0.396SS*.THydrogen-bonded Turntrans-59.3-20.3175.638.60000114G283T281-G283 PolarHBondContact O-N 3.12Å
282S86.6Confident92.6Very high82 Ų8271.8 Ų71.857%0.57340%0.401SS*.THydrogen-bonded Turntrans-69.2-13.5174.964.20000113.8P280 R284P280-S282 PolarHBondContact O-N 3.01Å; P280-S282 VanDerWaalsContact O-N 3.07Å; S282-R284 PolarHBondContact O-N 3Å; S282-R284 VanDerWaalsContact O-N 3.12Å; S282-R284 PolarHBondContact OG-N 2.8Å
283G80.7Confident92.2Very high69 Ų6974.9 Ų74.971%0.71142%0.421SS*.SBendtrans67.33.2-173.200000114.4P280 T281P280-G283 PolarHBondContact O-N 3.15Å; T281-G283 PolarHBondContact O-N 3.12Å
284R84.6Confident92Very high217 Ų21772.4 Ų72.482%0.81942%0.422SS*.SBendtrans-113.2121.9-178.4-70.4-174.1-178.4174.71.5111.2P280 S282P280-R284 WeakPolarHBondContact CG-O 3.39Å; S282-R284 PolarHBondContact O-N 3Å; S282-R284 VanDerWaalsContact O-N 3.12Å; S282-R284 PolarHBondContact OG-N 2.8Å
285G92.6Very high91.8Very high48 Ų4878.6 Ų78.650%0.49544%0.435SS..SBendtrans72.9-162.2179.900000112.5P280P280-G285 VanDerWaalsContact CD-O 3.28Å; P280-G285 WeakPolarHBondContact CD-O 3.22Å
286Y96.4Very high91.8Very high49 Ų4982 Ų8219%0.19244%0.437CS..SBendtrans-124.9-2.5-170.4-57.7-75.8000113.5K265 A268 E269 K272 L277K265-Y286 HydrophobicContact CB-CE2 4.16Å; K265-Y286 HydrophobicContact CG-CE2 4.36Å; A268-Y286 HydrophobicContact CB-CD1 3.62Å; A268-Y286 HydrophobicContact CB-CD2 3.79Å; A268-Y286 HydrophobicContact CB-CE1 4.12Å; A268-Y286 HydrophobicContact CB-CE2 4.28Å; A268-Y286 HydrophobicContact CB-CG 3.44Å; A268-Y286 VanDerWaalsContact CB-CG 3.44Å; E269-Y286 HydrophobicContact CB-CE1 4.23Å; E269-Y286 WeakPolarHBondContact OE2-CE1 3.35Å; E269-Y286 VanDerWaalsContact OE2-CZ 3.26Å; E269-Y286 PolarHBondContact OE2-OH 3.34Å; K272-Y286 HydrophobicContact CD-CE1 4.4Å; L277-Y286 HydrophobicContact CD2-CD1 4.31Å
287Q96.1Very high91.7Very high37 Ų3783.2 Ų83.217%0.17344%0.444CS..EExtended strand (participates in β ladder)trans-103.7127.3-175.6-64.9-178.411.200110.6E255 P280 V299 Y300E255-Q287 PolarHBondContact OE1-NE2 2.78Å; P280-Q287 WeakPolarHBondContact CB-O 3.28Å; Q287-V299 CarbonylContact C-O 3.47Å; Q287-V299 WeakPolarHBondContact CA-O 3.48Å; Q287-Y300 HydrophobicContact CG-CD1 4.28Å; Q287-Y300 HydrophobicContact CG-CD2 4Å; Q287-Y300 HydrophobicContact CG-CE1 3.92Å; Q287-Y300 HydrophobicContact CG-CE2 3.57Å; Q287-Y300 HydrophobicContact CG-CG 4.33Å; Q287-Y300 VanDerWaalsContact NE2-CE2 3.29Å; Q287-Y300 PolarHBondContact NE2-OH 3.19Å; Q287-Y300 VanDerWaalsContact NE2-OH 3.08Å
288G93.7Very high91.6Very high14 Ų1490.1 Ų90.114%0.14447%0.47CS..EExtended strand (participates in β ladder)trans-95.4-163.2169.700000112.3V299G288-V299 PolarHBondContact N-O 2.81Å; G288-V299 PolarHBondContact O-N 3.29Å; G288-V299 VanDerWaalsContact O-N 3.15Å
289R93.7Very high91.7Very high169 Ų16987.2 Ų87.264%0.63845%0.452SS*.EExtended strand (participates in β ladder)trans-133.5141.9171.4-67.6-174.6177.3-176.71.3110.3I297R289-I297 VanDerWaalsContact CA-O 3.25Å; R289-I297 WeakPolarHBondContact CA-O 3.42Å
290V94.4Very high91.9Very high11 Ų1185 Ų857%0.06744%0.436CS..EExtended strand (participates in β ladder)trans-116.8144.7167.367.70000108.8L219 Y234 Y248 I297 V299L219-V290 HydrophobicContact CD1-CG2 4.36Å; L219-V290 HydrophobicContact CD2-CG2 3.74Å; Y234-V290 HydrophobicContact CD2-CG1 4.23Å; Y248-V290 HydrophobicContact CD1-CB 3.67Å; Y248-V290 HydrophobicContact CD1-CG1 4.38Å; Y248-V290 HydrophobicContact CD1-CG2 3.84Å; Y248-V290 HydrophobicContact CD2-CG2 4.04Å; Y248-V290 HydrophobicContact CE1-CB 4.14Å; Y248-V290 HydrophobicContact CE1-CG2 4Å; Y248-V290 HydrophobicContact CE2-CG2 4.2Å; Y248-V290 HydrophobicContact CG-CB 3.92Å; Y248-V290 HydrophobicContact CG-CG1 4.26Å; Y248-V290 HydrophobicContact CG-CG2 3.85Å; V290-I297 HydrophobicContact CG1-CB 4.27Å; V290-I297 PolarHBondContact N-O 3.47Å; V290-I297 PolarHBondContact O-N 2.88Å; V290-V299 HydrophobicContact CB-CG2 4.24Å; V290-V299 HydrophobicContact CG1-CG1 3.86Å; V290-V299 HydrophobicContact CG1-CG2 4.12Å
291R93.4Very high92.1Very high183 Ų18385 Ų8569%0.69144%0.435SS*.EExtended strand (participates in β ladder)trans-97.5122.3173.7-170.6172.5-176.9161.8-0.7108.3R295R291-R295 VanDerWaalsContact CA-O 3.28Å; R291-R295 WeakPolarHBondContact CA-O 3.39Å
292E91.9Very high92.5Very high21 Ų2177.3 Ų77.310%0.09839%0.388CS..EExtended strand (participates in β ladder)trans-142.5134.2176.8-174.171.4175.600108.8L219 G220 Y234 G294 R295 I297L219-E292 WeakPolarHBondContact CD2-OE2 3.48Å; G220-E292 WeakPolarHBondContact CA-OE1 3.36Å; G220-E292 PolarHBondContact N-OE1 3.2Å; G220-E292 PolarHBondContact N-OE2 3.42Å; Y234-E292 HydrophobicContact CD1-CG 4.22Å; Y234-E292 HydrophobicContact CE1-CB 4.43Å; Y234-E292 HydrophobicContact CE1-CG 3.6Å; Y234-E292 HydrophobicContact CE2-CB 4.24Å; Y234-E292 HydrophobicContact CE2-CG 4.25Å; E292-G294 VanDerWaalsContact C-N 3.26Å; E292-G294 PolarHBondContact O-N 3.11Å; E292-R295 PolarHBondContact N-O 2.68Å; E292-R295 WeakPolarHBondContact O-CB 2.85Å; E292-R295 PolarHBondContact O-N 3.13Å; E292-I297 HydrophobicContact CB-CD1 4.09Å
293D86.5Confident93Very high141 Ų14174.9 Ų74.975%0.75437%0.369SS*.THydrogen-bonded Turntrans46.248.1-179.3-169.731.7000113.6R295D293-R295 PolarHBondContact O-N 3.07Å
294G87.8Confident93.6Very high60 Ų6072.6 Ų72.662%0.61934%0.339SS*.THydrogen-bonded Turntrans71-5.1-178.900000115.7E292E292-G294 VanDerWaalsContact C-N 3.26Å; E292-G294 PolarHBondContact O-N 3.11Å
295R90.6Very high93.5Very high179 Ų17967.2 Ų67.268%0.67533%0.325SS*.EExtended strand (participates in β ladder)trans-100.1147-178.9-60.6176.7-172-172.42.2111.1R291 E292 D293 I297R291-R295 VanDerWaalsContact CA-O 3.28Å; R291-R295 WeakPolarHBondContact CA-O 3.39Å; E292-R295 PolarHBondContact N-O 2.68Å; E292-R295 WeakPolarHBondContact O-CB 2.85Å; E292-R295 PolarHBondContact O-N 3.13Å; D293-R295 PolarHBondContact O-N 3.07Å; R295-I297 HydrophobicContact CB-CG1 4.41Å
296Q92.9Very high92.4Very high122 Ų12267.2 Ų67.257%0.5732%0.32SS*.EExtended strand (participates in β ladder)trans-95.6117.5166.8-73-165.6-9.300109.8
297I94.9Very high90.5Very high42 Ų4273.9 Ų73.922%0.21535%0.353CS..EExtended strand (participates in β ladder)trans-109.5132-176.1-52.3170000109Y234 F250 R289 V290 E292 R295 V299Y234-I297 HydrophobicContact CE2-CD1 3.73Å; F250-I297 HydrophobicContact CD1-CG2 3.99Å; F250-I297 HydrophobicContact CE1-CG2 3.71Å; R289-I297 VanDerWaalsContact CA-O 3.25Å; R289-I297 WeakPolarHBondContact CA-O 3.42Å; V290-I297 HydrophobicContact CG1-CB 4.27Å; V290-I297 PolarHBondContact N-O 3.47Å; V290-I297 PolarHBondContact O-N 2.88Å; E292-I297 HydrophobicContact CB-CD1 4.09Å; R295-I297 HydrophobicContact CB-CG1 4.41Å; I297-V299 HydrophobicContact CG2-CG1 4.3Å
298R95.7Very high88.2Confident150 Ų15080.2 Ų80.257%0.56638%0.383SS*.EExtended strand (participates in β ladder)trans-72.3133.8173.5-75176.264.2177.50.9109.8P251P251-R298 VanDerWaalsContact CD-O 3.23Å; P251-R298 WeakPolarHBondContact CD-O 3.36Å; P251-R298 HydrophobicContact CG-CB 4.46Å
299V97.7Very high85.4Confident0 Ų084.6 Ų84.60%041%0.411CS..EExtended strand (participates in β ladder)trans-149.5156.2-174.8-68.30000111.8Y248 T249 F250 Q287 G288 V290 I297 V301Y248-V299 HydrophobicContact CD1-CG2 4.01Å; T249-V299 CarbonylContact O-C 3.51Å; T249-V299 WeakPolarHBondContact O-CA 3.15Å; T249-V299 WeakPolarHBondContact O-CB 3.42Å; F250-V299 HydrophobicContact CD1-CG1 4.09Å; F250-V299 HydrophobicContact CE1-CG1 4.45Å; Q287-V299 CarbonylContact C-O 3.47Å; Q287-V299 WeakPolarHBondContact CA-O 3.48Å; G288-V299 PolarHBondContact N-O 2.81Å; G288-V299 PolarHBondContact O-N 3.29Å; G288-V299 VanDerWaalsContact O-N 3.15Å; V290-V299 HydrophobicContact CB-CG2 4.24Å; V290-V299 HydrophobicContact CG1-CG1 3.86Å; V290-V299 HydrophobicContact CG1-CG2 4.12Å; I297-V299 HydrophobicContact CG2-CG1 4.3Å; V299-V301 HydrophobicContact CG2-CG2 4.27Å
300Y98.2Very high82.3Confident11 Ų1182 Ų824%0.04342%0.419CS..EExtended strand (participates in β ladder)trans-88132.2158-70.6-94.2000108.3F247 T249 P251 F254 E255 A268 L277 Q287F247-Y300 VanDerWaalsContact O-O 3.11Å; T249-Y300 PolarHBondContact N-O 2.76Å; T249-Y300 PolarHBondContact O-N 2.75Å; P251-Y300 HydrophobicContact CB-CE2 4.26Å; F254-Y300 HydrophobicContact CB-CD2 3.51Å; F254-Y300 HydrophobicContact CB-CE2 3.97Å; F254-Y300 HydrophobicContact CB-CG 4.01Å; F254-Y300 AromaticContact CD1-CD1 3.76Å; F254-Y300 HydrophobicContact CD1-CD1 3.76Å; F254-Y300 AromaticContact CD1-CD2 3.63Å; F254-Y300 HydrophobicContact CD1-CD2 3.63Å; F254-Y300 AromaticContact CD1-CE1 3.64Å; F254-Y300 HydrophobicContact CD1-CE1 3.64Å; F254-Y300 AromaticContact CD1-CE2 3.53Å; F254-Y300 HydrophobicContact CD1-CE2 3.53Å; F254-Y300 AromaticContact CD1-CG 3.75Å; F254-Y300 HydrophobicContact CD1-CG 3.75Å; F254-Y300 AromaticContact CD1-CZ 3.54Å; F254-Y300 HydrophobicContact CD2-CD1 4.21Å; F254-Y300 HydrophobicContact CD2-CD2 4.24Å; F254-Y300 AromaticContact CD2-CG 3.86Å; F254-Y300 HydrophobicContact CD2-CG 3.86Å; F254-Y300 AromaticContact CE1-CD1 3.71Å; F254-Y300 HydrophobicContact CE1-CD1 3.71Å; F254-Y300 HydrophobicContact CE1-CD2 4.42Å; F254-Y300 AromaticContact CE1-CE1 3.51Å; F254-Y300 HydrophobicContact CE1-CE1 3.51Å; F254-Y300 HydrophobicContact CE1-CE2 4.28Å; F254-Y300 HydrophobicContact CE1-CG 4.15Å; F254-Y300 AromaticContact CE1-CZ 3.83Å; F254-Y300 HydrophobicContact CE2-CD1 4.17Å; F254-Y300 HydrophobicContact CE2-CG 4.27Å; F254-Y300 HydrophobicContact CG-CD1 4Å; F254-Y300 AromaticContact CG-CD2 3.51Å; F254-Y300 HydrophobicContact CG-CD2 3.51Å; F254-Y300 HydrophobicContact CG-CE1 4.33Å; F254-Y300 AromaticContact CG-CE2 3.91Å; F254-Y300 HydrophobicContact CG-CE2 3.91Å; F254-Y300 AromaticContact CG-CG 3.57Å; F254-Y300 HydrophobicContact CG-CG 3.57Å; F254-Y300 AromaticContact CZ-CD1 3.91Å; F254-Y300 HydrophobicContact CZ-CD1 3.91Å; F254-Y300 HydrophobicContact CZ-CE1 4.11Å; F254-Y300 HydrophobicContact CZ-CG 4.39Å; E255-Y300 HydrophobicContact CG-CE2 4.21Å; E255-Y300 PolarHBondContact OE1-OH 3Å; A268-Y300 HydrophobicContact CB-CE1 4.24Å; L277-Y300 HydrophobicContact CD1-CD1 3.96Å; Q287-Y300 HydrophobicContact CG-CD1 4.28Å; Q287-Y300 HydrophobicContact CG-CD2 4Å; Q287-Y300 HydrophobicContact CG-CE1 3.92Å; Q287-Y300 HydrophobicContact CG-CE2 3.57Å; Q287-Y300 HydrophobicContact CG-CG 4.33Å; Q287-Y300 VanDerWaalsContact NE2-CE2 3.29Å; Q287-Y300 PolarHBondContact NE2-OH 3.19Å; Q287-Y300 VanDerWaalsContact NE2-OH 3.08Å
301V97.4Very high79Confident18 Ų1889.5 Ų89.511%0.10945%0.453CS..EExtended strand (participates in β ladder)trans-99.8106.4-179.5-174.90000108I246 F247 Y248 L277 T278 V299I246-V301 HydrophobicContact CG2-CG1 3.61Å; F247-V301 WeakPolarHBondContact O-CA 3.39Å; Y248-V301 HydrophobicContact CD1-CG2 4.02Å; Y248-V301 HydrophobicContact CE1-CG1 4.34Å; Y248-V301 HydrophobicContact CE1-CG2 4.24Å; L277-V301 CarbonylContact C-O 3.49Å; L277-V301 WeakPolarHBondContact CA-O 3.28Å; T278-V301 PolarHBondContact N-O 2.86Å; V299-V301 HydrophobicContact CG2-CG2 4.27Å
302L97.6Very high76Confident1 Ų186.2 Ų86.21%0.00546%0.456CS..EExtended strand (participates in β ladder)trans-101.8142.5178.2-53.4179.2000110.5T204 L208 I246 F247 F254 I258 L271 M276 L277T204-L302 HydrophobicContact CG2-CD1 4.1Å; L208-L302 HydrophobicContact CD1-CB 4.44Å; L208-L302 HydrophobicContact CD1-CD1 4.35Å; I246-L302 CarbonylContact C-O 3.58Å; I246-L302 WeakPolarHBondContact CA-O 3.36Å; F247-L302 HydrophobicContact CB-CB 4.23Å; F247-L302 PolarHBondContact N-O 3.41Å; F247-L302 PolarHBondContact O-N 3.33Å; F254-L302 HydrophobicContact CD2-CD1 4.26Å; F254-L302 HydrophobicContact CD2-CD2 4.43Å; F254-L302 HydrophobicContact CE2-CD1 4.37Å; F254-L302 HydrophobicContact CE2-CD2 3.95Å; I258-L302 HydrophobicContact CD1-CD1 4.06Å; L271-L302 HydrophobicContact CD1-CD2 3.98Å; M276-L302 CarbonylContact O-C 3.43Å; M276-L302 WeakPolarHBondContact O-CA 3.44Å; L277-L302 HydrophobicContact CB-CD2 4.05Å; L277-L302 HydrophobicContact CD1-CD2 4.07Å; L277-L302 HydrophobicContact CG-CD2 4.21Å
303N95.7Very high73.4Confident31 Ų3194.5 Ų94.517%0.16649%0.494CS..EExtended strand (participates in β ladder)trans-114.8126.6174.6-49.8-64.7000107.9P244 G275 M276 T278P244-N303 HydrophobicContact CB-CB 4.26Å; P244-N303 HydrophobicContact CG-CB 4.33Å; G275-N303 PolarHBondContact O-ND2 2.87Å; M276-N303 PolarHBondContact O-N 2.97Å; T278-N303 PolarHBondContact OG1-ND2 2.87Å
304F93.8Very high71.3Confident20 Ų20100.5 Ų100.59%0.08852%0.518CS..EExtended strand (participates in β ladder)trans-149.1135.6-179.2177.8-111000111.3E205 L208 N209 I245 F247 M276 A306E205-F304 HydrophobicContact CB-CE2 4.02Å; E205-F304 HydrophobicContact CB-CZ 4.44Å; E205-F304 HydrophobicContact CG-CD2 4.23Å; E205-F304 HydrophobicContact CG-CE2 3.72Å; L208-F304 HydrophobicContact CB-CD1 3.64Å; L208-F304 HydrophobicContact CB-CE1 4Å; L208-F304 HydrophobicContact CB-CG 4.1Å; L208-F304 HydrophobicContact CD1-CB 3.47Å; L208-F304 VanDerWaalsContact CD1-CB 3.47Å; L208-F304 HydrophobicContact CD1-CD1 4.13Å; L208-F304 HydrophobicContact CD1-CD2 4.42Å; L208-F304 HydrophobicContact CD1-CG 3.76Å; N209-F304 VanDerWaalsContact OD1-CE1 3.27Å; N209-F304 WeakPolarHBondContact OD1-CE1 3.27Å; N209-F304 VanDerWaalsContact OD1-CZ 3.3Å; N209-F304 WeakPolarHBondContact OD1-CZ 3.32Å; I245-F304 PolarHBondContact N-O 3.35Å; I245-F304 PolarHBondContact O-N 2.96Å; F247-F304 HydrophobicContact CD2-CB 4.24Å; F247-F304 HydrophobicContact CE2-CB 3.93Å; F247-F304 HydrophobicContact CE2-CD1 4.26Å; M276-F304 HydrophobicContact CE-CD2 4.25Å; F304-A306 HydrophobicContact CE1-CB 4.07Å; F304-A306 HydrophobicContact CZ-CB 4.44Å
305M82.9Confident70.4Confident105 Ų105102.5 Ų102.552%0.51751%0.513SS..  trans-116116.7172.1-168.7-174.7-51.900106.1G242 P244G242-M305 WeakPolarHBondContact O-CE 3.25Å; P244-M305 HydrophobicContact CB-CB 4.32Å
306A68.5Low69.4Low47 Ų4798.5 Ų98.539%0.38850%0.504SS..PPolyproline II helixtrans-66.3135.4168.900000107.3F304 E308F304-A306 HydrophobicContact CE1-CB 4.07Å; F304-A306 HydrophobicContact CZ-CB 4.44Å; A306-E308 PolarHBondContact O-N 3.07Å
307E56.7Low68.1Low189 Ų18997.2 Ų97.288%0.88350%0.5SS*.PPolyproline II helixtrans-53.5118.2167.7-70.7-175.3163.300107.2S309E307-S309 PolarHBondContact O-N 3.3Å
308E47.4Very low66.5Low171 Ų171100.4 Ų100.480%0.79952%0.517SS*.PPolyproline II helixtrans-56.3119.3170.4-76.7-175.216400105.8A306 S310A306-E308 PolarHBondContact O-N 3.07Å; E308-S310 VanDerWaalsContact C-N 3.29Å; E308-S310 PolarHBondContact O-N 3Å
309S34.8Very low64.7Low106 Ų10697.3 Ų97.374%0.74151%0.514SS*.  trans-49.6104.8170.4480000105.8E307 Q311E307-S309 PolarHBondContact O-N 3.3Å; S309-Q311 PolarHBondContact O-N 2.88Å
310S28.7Very low62.5Low114 Ų114103.8 Ų103.880%0.79755%0.548SS*.  trans-59.999.8177.7-15.40000103.7E308E308-S310 VanDerWaalsContact C-N 3.29Å; E308-S310 PolarHBondContact O-N 3Å
311Q25Very low59.9Low168 Ų168110.4 Ų110.479%0.78558%0.584SS**PPolyproline II helixtrans-58.6127.9165.6-75.9-173.1-16.800104.3S309 E313S309-Q311 PolarHBondContact O-N 2.88Å; Q311-E313 PolarHBondContact O-N 2.89Å
312P32Very low57Low115 Ų115117.5 Ų117.575%0.74762%0.621SS**PPolyproline II helixtrans-57.1120.8173.325.7-31.5000105.8E314P312-E314 PolarHBondContact O-N 3.21Å
313E37.1Very low53.6Low194 Ų194127.3 Ų127.391%0.90767%0.672SS**PPolyproline II helixtrans-54.8116.4168.2-71.9-176.1158.700106.5Q311Q311-E313 PolarHBondContact O-N 2.89Å
314E41Very low49.8Very low267 Ų267136 Ų136100%1.24872%0.718SS**  trans-61.90174.5-73.9-174155.100111.8P312P312-E314 PolarHBondContact O-N 3.21Å

Retrieved 314 of 314 residues in 302.6 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).