A0A096MMJ7_PAPAN Loading...

Geranylgeranyl transferase type-1 subunit beta

AlphaFold DB , UniProt , Accession A0A096MMJ7, Species PAPAN (Papio anubis, Olive baboon), Gene PGGT1B, Length 377 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.7Very low38.9Very low248 Ų248132.6 Ų132.6100%1.22275%0.752SS**  0105.10-75.6173.4-170.400106.8
2A42Very low39.3Very low100 Ų100131.7 Ų131.783%0.82676%0.76SS**PPolyproline II helixtrans-84.8123.9177.400000107.9T4A2-T4 PolarHBondContact O-N 3.49Å
3A38.1Very low39.3Very low59 Ų59127.3 Ų127.349%0.48876%0.761SS.*PPolyproline II helixtrans-59.8133.1170.700000109.2
4T45.9Very low39.5Very low94 Ų94132.6 Ų132.658%0.57777%0.774SS**PPolyproline II helixtrans-65.1146.4178.741.50000110.8A2 D6 E7A2-T4 PolarHBondContact O-N 3.49Å; T4-D6 PolarHBondContact O-N 3.49Å; T4-E7 PolarHBondContact O-N 3Å
5E39.9Very low40.3Very low172 Ų172128.1 Ų128.180%0.80477%0.767SS**G310 helixtrans-54.7-19.4-177.7-81.3176.5141.400114.5E7 R8E5-E7 PolarHBondContact O-N 3.49Å; E5-R8 PolarHBondContact O-N 2.97Å
6D38.5Very low41.1Very low137 Ų137129.9 Ų129.973%0.73377%0.765SS**G310 helixtrans-68.7-25.9174.4-100.5-21.4000114.4T4T4-D6 PolarHBondContact O-N 3.49Å
7E35Very low42.6Very low138 Ų138133.2 Ų133.265%0.64576%0.761SS**G310 helixtrans-82.8-13.9-179.7-72.9-175.7157.900113T4 E5T4-E7 PolarHBondContact O-N 3Å; E5-E7 PolarHBondContact O-N 3.49Å
8R35.3Very low45Very low207 Ų207128.2 Ų128.278%0.78173%0.731SS**G310 helixtrans-87.2-11.1176.2-68.6-172.6-171.8-165.52.5113.8E5E5-R8 PolarHBondContact O-N 2.97Å
9L37.2Very low47.6Very low148 Ų148126.6 Ų126.678%0.77572%0.72SS**SBendtrans-96.5-4.5177.4-79.5156.8000113.3G11L9-G11 VanDerWaalsContact C-N 3.32Å
10A36.1Very low50.1Low92 Ų92121.6 Ų121.676%0.7669%0.69SS**SBendtrans-86.93.2177.500000114.1
11G37.8Very low52.4Low64 Ų64117.7 Ų117.766%0.6667%0.667SS**SBendtrans-123.453.1-168.700000115.3L9L9-G11 VanDerWaalsContact C-N 3.32Å
12S44.2Very low55.2Low121 Ų121109.6 Ų109.685%0.84662%0.623SS**SBendtrans-179.8103.9155.655.80000110.3
13G39.3Very low57.9Low75 Ų75109.5 Ų109.577%0.77361%0.609SS**  trans167.320.4174.800000118.1G15G13-G15 PolarHBondContact O-N 2.99Å
14E42.3Very low60.7Low202 Ų202111.2 Ų111.294%0.94460%0.602SS**  trans-70.879153.1-75.1-169.1166.100106.9E16E14-E16 PolarHBondContact O-N 3.21Å
15G50.6Low63.3Low65 Ų65106.7 Ų106.767%0.6758%0.575SS**  trans-56.6123.4171.400000107.9G13 R17G13-G15 PolarHBondContact O-N 2.99Å; G15-R17 PolarHBondContact O-N 2.87Å
16E54.3Low66.1Low156 Ų15699 Ų9973%0.72954%0.539SS*.  trans-47.9113.7-179.6-162.6-179.7-160.400109.1E14 L18E14-E16 PolarHBondContact O-N 3.21Å; E16-L18 PolarHBondContact O-N 2.95Å
17R66.6Low68.9Low186 Ų18698.7 Ų98.770%0.70253%0.528SS*.  trans-67.1105.9179.8-168.6176.7-173179.21107G15 D19G15-R17 PolarHBondContact O-N 2.87Å; R17-D19 PolarHBondContact O-N 3.03Å
18L84.6Confident72Confident44 Ų4492.8 Ų92.823%0.2350%0.5CS..PPolyproline II helixtrans-68120.6179.5-63.8174.7000109E16 L299E16-L18 PolarHBondContact O-N 2.95Å; L18-L299 HydrophobicContact CB-CB 3.99Å; L18-L299 HydrophobicContact CD1-CB 4.44Å; L18-L299 VanDerWaalsContact O-CD1 3.26Å; L18-L299 WeakPolarHBondContact O-CD1 3.31Å
19D95.1Very high75Confident97 Ų9783 Ų8352%0.51946%0.463SS..PPolyproline II helixtrans-88.5155.1175.2-65.5-32.4000112R17 Q302R17-D19 PolarHBondContact O-N 3.03Å; D19-Q302 PolarHBondContact O-NE2 3.42Å
20F98.4Very high77.9Confident27 Ų2778.5 Ų78.512%0.11844%0.438CS..PPolyproline II helixtrans-80.9116.4175.1176.8-119.3000111.2R22 H25 L61 L299 F309 I326 L329 E334 I337F20-R22 VanDerWaalsContact C-N 3.31Å; F20-R22 HydrophobicContact CD1-CB 4.1Å; F20-R22 HydrophobicContact CE1-CB 3.74Å; F20-R22 HydrophobicContact CE1-CG 4.21Å; F20-R22 HydrophobicContact CZ-CB 4.48Å; F20-R22 PolarHBondContact O-N 3.06Å; F20-H25 AromaticContact CD2-CD2 3.9Å; F20-H25 AromaticContact CD2-NE2 3.84Å; F20-H25 AromaticContact CE2-CD2 3.21Å; F20-H25 WeakPolarHBondContact CE2-CD2 3.46Å; F20-H25 AromaticContact CE2-NE2 3.47Å; F20-H25 WeakPolarHBondContact CE2-NE2 3.19Å; F20-H25 AromaticContact CZ-CD2 3.63Å; F20-L61 HydrophobicContact CE1-CD2 3.85Å; F20-L61 HydrophobicContact CZ-CD2 3.6Å; F20-L299 HydrophobicContact CB-CD2 4.22Å; F20-L299 HydrophobicContact CD2-CD2 4.28Å; F20-F309 HydrophobicContact CD2-CZ 4.02Å; F20-F309 AromaticContact CE2-CE2 3.97Å; F20-F309 HydrophobicContact CE2-CE2 3.97Å; F20-F309 AromaticContact CE2-CZ 3.89Å; F20-F309 HydrophobicContact CE2-CZ 3.89Å; F20-I326 HydrophobicContact CE2-CG1 4.24Å; F20-I326 HydrophobicContact CZ-CG1 4.25Å; F20-L329 HydrophobicContact CD2-CD1 3.82Å; F20-L329 HydrophobicContact CE2-CD1 4.05Å; F20-E334 HydrophobicContact CD1-CG 4.48Å; F20-I337 HydrophobicContact CD1-CD1 4.11Å; F20-I337 HydrophobicContact CD1-CG1 4.18Å; F20-I337 HydrophobicContact CE1-CD1 3.62Å; F20-I337 HydrophobicContact CE1-CG1 3.57Å; F20-I337 HydrophobicContact CE2-CD1 4.08Å; F20-I337 HydrophobicContact CZ-CD1 3.62Å; F20-I337 HydrophobicContact CZ-CG1 3.98Å
21L98.4Very high80.9Confident39 Ų3978.7 Ų78.720%0.20442%0.42CS..  trans-89.360.3-172.2-60.8175.8000112D23 R24 H25 R304L21-D23 VanDerWaalsContact C-N 3.35Å; L21-D23 PolarHBondContact O-N 3.08Å; L21-D23 VanDerWaalsContact O-N 3.13Å; L21-R24 HydrophobicContact CB-CB 4.2Å; L21-R24 HydrophobicContact CB-CG 4.25Å; L21-R24 WeakPolarHBondContact O-CB 3.38Å; L21-R24 PolarHBondContact O-N 2.84Å; L21-H25 VanDerWaalsContact C-CD2 3.47Å; L21-H25 PolarHBondContact O-CD2 3.22Å; L21-H25 PolarHBondContact O-N 3.39Å; L21-R304 HydrophobicContact CD1-CB 3.93Å; L21-R304 HydrophobicContact CD1-CG 3.91Å
22R98.7Very high83.8Confident78 Ų7876.7 Ų76.729%0.29440%0.395SS..Hα-helixtrans-40.1-55.4-173.3-179.4178173.6-81.55.1114F20 R24 H25 V26 L61 D62 S63F20-R22 VanDerWaalsContact C-N 3.31Å; F20-R22 HydrophobicContact CD1-CB 4.1Å; F20-R22 HydrophobicContact CE1-CB 3.74Å; F20-R22 HydrophobicContact CE1-CG 4.21Å; F20-R22 HydrophobicContact CZ-CB 4.48Å; F20-R22 PolarHBondContact O-N 3.06Å; R22-R24 PolarHBondContact O-N 3.04Å; R22-H25 WeakPolarHBondContact O-CA 3.44Å; R22-H25 WeakPolarHBondContact O-CB 3.4Å; R22-H25 PolarHBondContact O-N 2.91Å; R22-V26 PolarHBondContact O-N 2.93Å; R22-L61 HydrophobicContact CG-CD2 4.4Å; R22-L61 PolarHBondContact NE-O 3.24Å; R22-L61 PolarHBondContact NH2-O 3.25Å; R22-D62 PolarHBondContact NH2-O 3.13Å; R22-S63 PolarHBondContact NH2-OG 2.77Å
23D98.6Very high86.4Confident99 Ų9973.2 Ų73.253%0.52937%0.367SS..Hα-helixtrans-68.1-21.9-174.2-57.7-29.3000113.6L21 R27L21-D23 VanDerWaalsContact C-N 3.35Å; L21-D23 PolarHBondContact O-N 3.08Å; L21-D23 VanDerWaalsContact O-N 3.13Å; D23-R27 WeakPolarHBondContact O-CG 3.42Å; D23-R27 PolarHBondContact O-N 2.85Å; D23-R27 PolarHBondContact O-NE 2.95Å
24R98.6Very high89.2Confident94 Ų9476.2 Ų76.236%0.35536%0.36SS..Hα-helixtrans-74.9-37.4171.2-64.9-170.1-170.6-103.91.5110.9L21 R22 R27 F28 R304 L305L21-R24 HydrophobicContact CB-CB 4.2Å; L21-R24 HydrophobicContact CB-CG 4.25Å; L21-R24 WeakPolarHBondContact O-CB 3.38Å; L21-R24 PolarHBondContact O-N 2.84Å; R22-R24 PolarHBondContact O-N 3.04Å; R24-R27 PolarHBondContact O-N 3.45Å; R24-F28 WeakPolarHBondContact O-CB 3.1Å; R24-F28 PolarHBondContact O-N 3.34Å; R24-R304 WeakPolarHBondContact CD-O 3.41Å; R24-R304 PolarHBondContact NE-O 3.13Å; R24-R304 VanDerWaalsContact NE-O 3.08Å; R24-R304 PolarHBondContact NH1-O 3.11Å; R24-L305 PolarHBondContact NH1-O 3.27Å
25H98.9Very high91.8Very high0 Ų072.5 Ų72.50%035%0.352CS..Hα-helixtrans-66.8-40.5174.7-61.4-66.2000112.2F20 L21 R22 R27 F28 F29 L61 Q302 G308 F309 I326F20-H25 AromaticContact CD2-CD2 3.9Å; F20-H25 AromaticContact CD2-NE2 3.84Å; F20-H25 AromaticContact CE2-CD2 3.21Å; F20-H25 WeakPolarHBondContact CE2-CD2 3.46Å; F20-H25 AromaticContact CE2-NE2 3.47Å; F20-H25 WeakPolarHBondContact CE2-NE2 3.19Å; F20-H25 AromaticContact CZ-CD2 3.63Å; L21-H25 VanDerWaalsContact C-CD2 3.47Å; L21-H25 PolarHBondContact O-CD2 3.22Å; L21-H25 PolarHBondContact O-N 3.39Å; R22-H25 WeakPolarHBondContact O-CA 3.44Å; R22-H25 WeakPolarHBondContact O-CB 3.4Å; R22-H25 PolarHBondContact O-N 2.91Å; H25-R27 PolarHBondContact O-N 2.69Å; H25-F28 WeakPolarHBondContact O-CB 3.26Å; H25-F28 PolarHBondContact O-N 3.03Å; H25-F28 VanDerWaalsContact O-N 3.13Å; H25-F29 VanDerWaalsContact O-CD2 3.27Å; H25-F29 WeakPolarHBondContact O-CD2 3.41Å; H25-F29 PolarHBondContact O-N 3.06Å; H25-L61 HydrophobicContact CB-CD1 3.71Å; H25-Q302 PolarHBondContact NE2-OE1 2.82Å; H25-G308 PolarHBondContact CE1-N 2.62Å; H25-G308 PolarHBondContact CE1-O 2.82Å; H25-G308 VanDerWaalsContact ND1-CA 3.35Å; H25-G308 WeakPolarHBondContact ND1-CA 3.49Å; H25-G308 PolarHBondContact ND1-N 3.03Å; H25-F309 AromaticContact CE1-CD2 3.61Å; H25-F309 AromaticContact CE1-CE2 3.14Å; H25-F309 WeakPolarHBondContact CE1-CE2 3.5Å; H25-F309 AromaticContact CE1-CZ 3.56Å; H25-F309 AromaticContact ND1-CD2 3.95Å; H25-F309 AromaticContact ND1-CE2 3.65Å; H25-F309 AromaticContact NE2-CE2 3.53Å; H25-F309 AromaticContact NE2-CZ 3.62Å; H25-I326 HydrophobicContact CB-CD1 4.13Å
26V98.9Very high94.1Very high10 Ų1072.3 Ų72.36%0.06134%0.335CS..Hα-helixtrans-57.2-50172.8172.10000110.6R22 F28 F29 Q30 L58 L61 S63 V66R22-V26 PolarHBondContact O-N 2.93Å; V26-F28 VanDerWaalsContact C-N 3.29Å; V26-F28 PolarHBondContact O-N 2.71Å; V26-F29 PolarHBondContact O-N 2.8Å; V26-Q30 WeakPolarHBondContact O-CG 3.47Å; V26-Q30 PolarHBondContact O-N 2.91Å; V26-L58 HydrophobicContact CB-CD2 4.36Å; V26-L58 HydrophobicContact CG1-CD2 3.88Å; V26-L61 HydrophobicContact CG2-CB 4.15Å; V26-L61 HydrophobicContact CG2-CD1 3.87Å; V26-S63 WeakPolarHBondContact CG2-OG 3.49Å; V26-V66 HydrophobicContact CG1-CG1 4.36Å; V26-V66 HydrophobicContact CG1-CG2 4.5Å
27R98.9Very high96.1Very high131 Ų13168 Ų6849%0.49432%0.32SS..Hα-helixtrans-63.7-33.7175.6-75.1179-75.2173.5-8.3112.9D23 R24 H25 Q30 R31D23-R27 WeakPolarHBondContact O-CG 3.42Å; D23-R27 PolarHBondContact O-N 2.85Å; D23-R27 PolarHBondContact O-NE 2.95Å; R24-R27 PolarHBondContact O-N 3.45Å; H25-R27 PolarHBondContact O-N 2.69Å; R27-Q30 PolarHBondContact O-N 3.04Å; R27-R31 WeakPolarHBondContact O-CG 3.02Å; R27-R31 PolarHBondContact O-N 3.18Å
28F98.9Very high97.7Very high14 Ų1467.4 Ų67.46%0.06133%0.325CS..Hα-helixtrans-60.3-49.8175.3178.4-81.4000111.5R24 H25 V26 R31 C32 G307 P317 A322R24-F28 WeakPolarHBondContact O-CB 3.1Å; R24-F28 PolarHBondContact O-N 3.34Å; H25-F28 WeakPolarHBondContact O-CB 3.26Å; H25-F28 PolarHBondContact O-N 3.03Å; H25-F28 VanDerWaalsContact O-N 3.13Å; V26-F28 VanDerWaalsContact C-N 3.29Å; V26-F28 PolarHBondContact O-N 2.71Å; F28-R31 VanDerWaalsContact CA-NH2 3.29Å; F28-R31 PolarHBondContact O-N 3.37Å; F28-C32 VanDerWaalsContact CE1-SG 3.57Å; F28-C32 PolarHBondContact O-N 3.39Å; F28-C32 PolarHBondContact O-SG 2.99Å; F28-C32 VanDerWaalsContact O-SG 3.37Å; F28-G307 VanDerWaalsContact CD2-C 3.46Å; F28-G307 WeakPolarHBondContact CD2-O 3.29Å; F28-P317 HydrophobicContact CE2-CB 3.99Å; F28-P317 HydrophobicContact CE2-CG 4.01Å; F28-P317 HydrophobicContact CZ-CB 4.39Å; F28-A322 HydrophobicContact CD1-CB 4Å; F28-A322 HydrophobicContact CE1-CB 3.59Å; F28-A322 HydrophobicContact CZ-CB 4.25Å
29F98.9Very high98.3Very high0 Ų074.4 Ų74.40%035%0.349CS..Hα-helixtrans-68-34.6178.6-66.9-50.8000113.4H25 V26 R31 C32 L33 A54 L58 L61 A322 I326H25-F29 VanDerWaalsContact O-CD2 3.27Å; H25-F29 WeakPolarHBondContact O-CD2 3.41Å; H25-F29 PolarHBondContact O-N 3.06Å; V26-F29 PolarHBondContact O-N 2.8Å; F29-R31 VanDerWaalsContact C-N 3.32Å; F29-R31 PolarHBondContact O-N 3.46Å; F29-C32 WeakPolarHBondContact O-CB 3.35Å; F29-C32 PolarHBondContact O-N 3.24Å; F29-C32 VanDerWaalsContact O-N 3.16Å; F29-L33 PolarHBondContact O-N 3.42Å; F29-A54 HydrophobicContact CB-CB 4.06Å; F29-A54 HydrophobicContact CD1-CB 4.06Å; F29-A54 HydrophobicContact CG-CB 4.43Å; F29-L58 HydrophobicContact CB-CD1 4.23Å; F29-L58 HydrophobicContact CB-CD2 3.97Å; F29-L58 HydrophobicContact CB-CG 3.74Å; F29-L58 HydrophobicContact CD2-CG 4.48Å; F29-L58 HydrophobicContact CG-CG 4.5Å; F29-L61 HydrophobicContact CD2-CD1 4.23Å; F29-L61 HydrophobicContact CE2-CD1 4.08Å; F29-A322 HydrophobicContact CE1-CB 3.77Å; F29-A322 HydrophobicContact CZ-CB 3.9Å; F29-I326 HydrophobicContact CE2-CD1 3.43Å; F29-I326 VanDerWaalsContact CE2-CD1 3.43Å; F29-I326 HydrophobicContact CZ-CD1 3.75Å
30Q98.8Very high98.4Very high55 Ų5573.9 Ų73.926%0.25734%0.34SS..Hα-helixtrans-56-46.5171.7-75.6-179.150.500111.7V26 R27 C32 L33 Q34 V66V26-Q30 WeakPolarHBondContact O-CG 3.47Å; V26-Q30 PolarHBondContact O-N 2.91Å; R27-Q30 PolarHBondContact O-N 3.04Å; Q30-C32 VanDerWaalsContact C-N 3.3Å; Q30-C32 PolarHBondContact O-N 2.92Å; Q30-L33 PolarHBondContact O-N 3.22Å; Q30-Q34 WeakPolarHBondContact O-CG 3.4Å; Q30-Q34 PolarHBondContact O-N 3.02Å; Q30-V66 HydrophobicContact CG-CB 4.37Å; Q30-V66 HydrophobicContact CG-CG2 3.57Å
31R98.8Very high98.4Very high96 Ų9676.6 Ų76.636%0.36236%0.362SS..Hα-helixtrans-64.9-34.5178.3-64173.1-41.2-1394.4112.4R27 F28 F29 L33 Q34 V306R27-R31 WeakPolarHBondContact O-CG 3.02Å; R27-R31 PolarHBondContact O-N 3.18Å; F28-R31 VanDerWaalsContact CA-NH2 3.29Å; F28-R31 PolarHBondContact O-N 3.37Å; F29-R31 VanDerWaalsContact C-N 3.32Å; F29-R31 PolarHBondContact O-N 3.46Å; R31-L33 PolarHBondContact O-N 2.94Å; R31-Q34 PolarHBondContact O-N 3.43Å; R31-V306 PolarHBondContact NH1-O 2.72Å; R31-V306 PolarHBondContact NH2-O 2.91Å
32C98.7Very high98.4Very high21 Ų2179.4 Ų79.414%0.14239%0.385CS..Hα-helixtrans-62.9-29.2176.1-670000113.1F28 F29 Q30 A54F28-C32 VanDerWaalsContact CE1-SG 3.57Å; F28-C32 PolarHBondContact O-N 3.39Å; F28-C32 PolarHBondContact O-SG 2.99Å; F28-C32 VanDerWaalsContact O-SG 3.37Å; F29-C32 WeakPolarHBondContact O-CB 3.35Å; F29-C32 PolarHBondContact O-N 3.24Å; F29-C32 VanDerWaalsContact O-N 3.16Å; Q30-C32 VanDerWaalsContact C-N 3.3Å; Q30-C32 PolarHBondContact O-N 2.92Å; C32-A54 HydrophobicContact CB-CB 3.97Å
33L98.6Very high98.4Very high49 Ų4978.1 Ų78.126%0.25738%0.384SS..THydrogen-bonded Turntrans-86.8-7.4177.8-67.7171.1000113.7F29 Q30 R31 A51 A54 L55 L58 V67 I72F29-L33 PolarHBondContact O-N 3.42Å; Q30-L33 PolarHBondContact O-N 3.22Å; R31-L33 PolarHBondContact O-N 2.94Å; L33-A51 HydrophobicContact CD2-CB 4.04Å; L33-A54 HydrophobicContact CD1-CB 4.04Å; L33-A54 HydrophobicContact CD2-CB 3.83Å; L33-A54 HydrophobicContact CG-CB 3.62Å; L33-L55 HydrophobicContact CD1-CD2 3.71Å; L33-L55 HydrophobicContact CD1-CG 4.19Å; L33-L55 HydrophobicContact CD2-CD2 4.37Å; L33-L55 HydrophobicContact CD2-CG 4.13Å; L33-L58 HydrophobicContact CD1-CD1 3.94Å; L33-V67 HydrophobicContact CD1-CG1 3.83Å; L33-I72 HydrophobicContact CD1-CD1 4.48Å
34Q97.7Very high98.4Very high137 Ų13776.4 Ų76.464%0.6437%0.373SS*.THydrogen-bonded Turntrans-92.7-96.5-179.8-68.9166.5-2.800110.4Q30 R31Q30-Q34 WeakPolarHBondContact O-CG 3.4Å; Q30-Q34 PolarHBondContact O-N 3.02Å; R31-Q34 PolarHBondContact O-N 3.43Å
35V97.7Very high98.4Very high125 Ų12575.5 Ų75.576%0.75838%0.378SS*.  trans-130.2132.2-174.7-179.50000108.5
36L97.4Very high98.4Very high61 Ų6176.9 Ų76.932%0.31939%0.387SS..  trans-102.9137.8175-59179.3000109.7Y40 I50L36-Y40 HydrophobicContact CB-CD2 4.15Å; L36-Y40 HydrophobicContact CB-CG 4.48Å; L36-I50 HydrophobicContact CD1-CG2 4.3Å
37P98Very high98.4Very high64 Ų6480.5 Ų80.542%0.41640%0.4SS..  trans-57.9152.3171-23.530.8000112.6R39 Y40P37-R39 HydrophobicContact CB-CG 4.21Å; P37-R39 PolarHBondContact O-N 3.39Å; P37-Y40 HydrophobicContact CB-CD2 4.23Å; P37-Y40 HydrophobicContact CB-CE2 4.39Å; P37-Y40 HydrophobicContact CG-CD2 4.28Å; P37-Y40 HydrophobicContact CG-CE2 4.1Å; P37-Y40 WeakPolarHBondContact O-CD2 3.4Å; P37-Y40 PolarHBondContact O-N 2.92Å
38E98.2Very high98.4Very high175 Ų17574.3 Ų74.382%0.81838%0.377SS*.G310 helixtrans-53.5-27.4-178.9-177-178.3-143.100114Y40 S41E38-Y40 PolarHBondContact O-N 3.38Å; E38-S41 WeakPolarHBondContact O-CB 3.13Å; E38-S41 PolarHBondContact O-N 3.43Å; E38-S41 PolarHBondContact O-OG 2.9Å; E38-S41 VanDerWaalsContact O-OG 3.13Å
39R97.9Very high98.4Very high191 Ų19174.9 Ų74.972%0.72138%0.381SS*.G310 helixtrans-54.8-17.4174.779.9-177.5107.6178.94.5114.1P37P37-R39 HydrophobicContact CB-CG 4.21Å; P37-R39 PolarHBondContact O-N 3.39Å
40Y98.3Very high98.4Very high86 Ų8675.8 Ų75.834%0.33739%0.386SS..G310 helixtrans-96.712.1176.6-61.9-75.2000113.5L36 P37 E38 S42 L43L36-Y40 HydrophobicContact CB-CD2 4.15Å; L36-Y40 HydrophobicContact CB-CG 4.48Å; P37-Y40 HydrophobicContact CB-CD2 4.23Å; P37-Y40 HydrophobicContact CB-CE2 4.39Å; P37-Y40 HydrophobicContact CG-CD2 4.28Å; P37-Y40 HydrophobicContact CG-CE2 4.1Å; P37-Y40 WeakPolarHBondContact O-CD2 3.4Å; P37-Y40 PolarHBondContact O-N 2.92Å; E38-Y40 PolarHBondContact O-N 3.38Å; Y40-S42 PolarHBondContact O-N 3.45Å; Y40-S42 VanDerWaalsContact O-N 3.17Å; Y40-L43 HydrophobicContact CD1-CD1 3.88Å; Y40-L43 HydrophobicContact CG-CD1 4.49Å; Y40-L43 VanDerWaalsContact O-CB 3.3Å; Y40-L43 WeakPolarHBondContact O-CB 3.42Å; Y40-L43 PolarHBondContact O-N 2.94Å
41S98.1Very high98.4Very high83 Ų8373.4 Ų73.458%0.5838%0.376SS*.G310 helixtrans-58-28-179.857.70000113.7E38 L43 E44E38-S41 WeakPolarHBondContact O-CB 3.13Å; E38-S41 PolarHBondContact O-N 3.43Å; E38-S41 PolarHBondContact O-OG 2.9Å; E38-S41 VanDerWaalsContact O-OG 3.13Å; S41-L43 PolarHBondContact O-N 2.87Å; S41-L43 VanDerWaalsContact O-N 3.12Å; S41-E44 VanDerWaalsContact O-CB 3.27Å; S41-E44 WeakPolarHBondContact O-CB 3.49Å; S41-E44 PolarHBondContact O-N 3.25Å
42S98.6Very high98.4Very high99 Ų9968.9 Ų68.969%0.69236%0.359SS*.G310 helixtrans-62.9-15.1172.760.20000113.8Y40Y40-S42 PolarHBondContact O-N 3.45Å; Y40-S42 VanDerWaalsContact O-N 3.17Å
43L98.4Very high98.4Very high50 Ų5068.7 Ų68.726%0.26236%0.355SS..G310 helixtrans-92.90.8176.4-56.4176.4000112.9Y40 S41 T45 S46 R47 I50Y40-L43 HydrophobicContact CD1-CD1 3.88Å; Y40-L43 HydrophobicContact CG-CD1 4.49Å; Y40-L43 VanDerWaalsContact O-CB 3.3Å; Y40-L43 WeakPolarHBondContact O-CB 3.42Å; Y40-L43 PolarHBondContact O-N 2.94Å; S41-L43 PolarHBondContact O-N 2.87Å; S41-L43 VanDerWaalsContact O-N 3.12Å; L43-T45 VanDerWaalsContact C-N 3.33Å; L43-T45 PolarHBondContact O-N 3.1Å; L43-S46 CarbonylContact O-C 3.47Å; L43-S46 VanDerWaalsContact O-C 3.32Å; L43-S46 WeakPolarHBondContact O-CA 3.3Å; L43-S46 PolarHBondContact O-N 2.76Å; L43-S46 PolarHBondContact O-OG 2.89Å; L43-S46 VanDerWaalsContact O-OG 3.12Å; L43-R47 PolarHBondContact O-N 2.98Å; L43-I50 HydrophobicContact CB-CG1 4.47Å; L43-I50 HydrophobicContact CD1-CD1 3.92Å; L43-I50 HydrophobicContact CD1-CG1 4.23Å
44E98.8Very high98.5Very high63 Ų6366.3 Ų66.329%0.29434%0.343SS..G310 helixtrans-51.6-49.8-174.8179.655.3-137.400112S41 S46 R47 S98S41-E44 VanDerWaalsContact O-CB 3.27Å; S41-E44 WeakPolarHBondContact O-CB 3.49Å; S41-E44 PolarHBondContact O-N 3.25Å; E44-S46 PolarHBondContact O-N 3.36Å; E44-S46 VanDerWaalsContact O-N 3.09Å; E44-R47 WeakPolarHBondContact O-CG 3.49Å; E44-R47 PolarHBondContact O-N 3Å; E44-R47 WeakPolarHBondContact OE1-CD 3.28Å; E44-R47 IonicContact OE1-CZ 3.92Å; E44-R47 IonicContact OE1-NH1 2.68Å; E44-R47 PolarHBondContact OE1-NH1 2.73Å; E44-R47 WeakPolarHBondContact OE2-CD 3.32Å; E44-R47 IonicContact OE2-NH1 3.21Å; E44-R47 PolarHBondContact OE2-NH1 3.19Å; E44-S98 WeakPolarHBondContact O-CB 3.43Å; E44-S98 PolarHBondContact O-OG 3.17Å; E44-S98 VanDerWaalsContact O-OG 3.04Å; E44-S98 WeakPolarHBondContact OE1-CB 3.33Å; E44-S98 PolarHBondContact OE1-OG 3.25Å
45T98.7Very high98.5Very high76 Ų7659.8 Ų59.847%0.46631%0.313SS..G310 helixtrans-74.52.8-179.558.90000114.1L43 G97 Y100L43-T45 VanDerWaalsContact C-N 3.33Å; L43-T45 PolarHBondContact O-N 3.1Å; T45-G97 WeakPolarHBondContact O-CA 3.33Å; T45-Y100 HydrophobicContact CG2-CD1 4.12Å; T45-Y100 HydrophobicContact CG2-CD2 4.44Å; T45-Y100 HydrophobicContact CG2-CE1 4.06Å; T45-Y100 HydrophobicContact CG2-CE2 4.38Å; T45-Y100 HydrophobicContact CG2-CG 4.31Å
46S98.7Very high98.6Very high28 Ų2853.9 Ų53.920%0.19628%0.277CS..G310 helixtrans-134.318.8-179.962.30000113.5L43 E44 L48 T49 I50L43-S46 CarbonylContact O-C 3.47Å; L43-S46 VanDerWaalsContact O-C 3.32Å; L43-S46 WeakPolarHBondContact O-CA 3.3Å; L43-S46 PolarHBondContact O-N 2.76Å; L43-S46 PolarHBondContact O-OG 2.89Å; L43-S46 VanDerWaalsContact O-OG 3.12Å; E44-S46 PolarHBondContact O-N 3.36Å; E44-S46 VanDerWaalsContact O-N 3.09Å; S46-L48 PolarHBondContact O-N 3.47Å; S46-T49 WeakPolarHBondContact O-CB 3.23Å; S46-T49 PolarHBondContact O-N 3.43Å; S46-I50 PolarHBondContact O-N 3.17Å
47R98.8Very high98.7Very high87 Ų8751 Ų5133%0.32826%0.261SS..Hα-helixtrans-55.5-33.4179.1-76.8168.959.3-168.12.8113.1L43 E44 T49 I50 A51 G97L43-R47 PolarHBondContact O-N 2.98Å; E44-R47 WeakPolarHBondContact O-CG 3.49Å; E44-R47 PolarHBondContact O-N 3Å; E44-R47 WeakPolarHBondContact OE1-CD 3.28Å; E44-R47 IonicContact OE1-CZ 3.92Å; E44-R47 IonicContact OE1-NH1 2.68Å; E44-R47 PolarHBondContact OE1-NH1 2.73Å; E44-R47 WeakPolarHBondContact OE2-CD 3.32Å; E44-R47 IonicContact OE2-NH1 3.21Å; E44-R47 PolarHBondContact OE2-NH1 3.19Å; R47-T49 VanDerWaalsContact C-N 3.28Å; R47-T49 PolarHBondContact O-N 3.46Å; R47-I50 WeakPolarHBondContact O-CB 3.37Å; R47-I50 PolarHBondContact O-N 3.46Å; R47-I50 VanDerWaalsContact O-N 3.1Å; R47-A51 PolarHBondContact O-N 2.99Å; R47-G97 PolarHBondContact N-O 3.22Å
48L98.9Very high98.7Very high0 Ų047.9 Ų47.90%024%0.242CC..Hα-helixtrans-62.3-33.2174.9-171.553.8000113.2S46 A51 F52 W75 I76 L79 F95 R96 G97 M124S46-L48 PolarHBondContact O-N 3.47Å; L48-A51 PolarHBondContact O-N 3.13Å; L48-F52 PolarHBondContact O-N 3.27Å; L48-W75 HydrophobicContact CD1-CH2 3.95Å; L48-W75 HydrophobicContact CD1-CZ3 3.82Å; L48-I76 HydrophobicContact CD1-CG1 4.03Å; L48-I76 HydrophobicContact CD1-CG2 4.4Å; L48-L79 HydrophobicContact CB-CD1 4.24Å; L48-L79 HydrophobicContact CD1-CD1 4.16Å; L48-L79 HydrophobicContact CD2-CD1 4.06Å; L48-L79 HydrophobicContact CG-CD1 4.4Å; L48-F95 HydrophobicContact CD2-CB 4.16Å; L48-R96 WeakPolarHBondContact CD2-O 3.38Å; L48-G97 PolarHBondContact N-O 2.89Å; L48-M124 HydrophobicContact CB-SD 4.16Å; L48-M124 HydrophobicContact CD2-CB 4.17Å; L48-M124 WeakPolarHBondContact CD2-O 3.44Å
49T98.9Very high98.7Very high26 Ų2639.6 Ų39.616%0.1620%0.203CC..Hα-helixtrans-71.8-34.3172.5-60.60000112S46 R47 F52 F53 T127S46-T49 WeakPolarHBondContact O-CB 3.23Å; S46-T49 PolarHBondContact O-N 3.43Å; R47-T49 VanDerWaalsContact C-N 3.28Å; R47-T49 PolarHBondContact O-N 3.46Å; T49-F52 WeakPolarHBondContact O-CB 3.14Å; T49-F52 PolarHBondContact O-N 3.37Å; T49-F53 HydrophobicContact CG2-CD2 4.27Å; T49-F53 HydrophobicContact CG2-CE1 4.36Å; T49-F53 HydrophobicContact CG2-CE2 3.65Å; T49-F53 HydrophobicContact CG2-CZ 3.69Å; T49-F53 WeakPolarHBondContact O-CD2 3.48Å; T49-F53 WeakPolarHBondContact O-CG 3.4Å; T49-F53 PolarHBondContact O-N 2.83Å; T49-T127 HydrophobicContact CG2-CG2 4.27Å
50I98.9Very high98.8Very high19 Ų1930.5 Ų30.510%0.09717%0.169CC..Hα-helixtrans-65.9-41.3172.9-54.6-55.3000110.7L36 L43 S46 R47 F52 F53 A54 A319L36-I50 HydrophobicContact CD1-CG2 4.3Å; L43-I50 HydrophobicContact CB-CG1 4.47Å; L43-I50 HydrophobicContact CD1-CD1 3.92Å; L43-I50 HydrophobicContact CD1-CG1 4.23Å; S46-I50 PolarHBondContact O-N 3.17Å; R47-I50 WeakPolarHBondContact O-CB 3.37Å; R47-I50 PolarHBondContact O-N 3.46Å; R47-I50 VanDerWaalsContact O-N 3.1Å; I50-F52 VanDerWaalsContact C-N 3.33Å; I50-F53 HydrophobicContact CD1-CD2 4.24Å; I50-F53 PolarHBondContact O-N 3.47Å; I50-A54 PolarHBondContact O-N 3.4Å; I50-A54 VanDerWaalsContact O-N 3.08Å; I50-A319 HydrophobicContact CG2-CB 4.16Å
51A98.9Very high98.8Very high5 Ų526.4 Ų26.44%0.04115%0.152CC..Hα-helixtrans-60.6-43.4172.300000111.2L33 R47 L48 F53 A54 L55 W75L33-A51 HydrophobicContact CD2-CB 4.04Å; R47-A51 PolarHBondContact O-N 2.99Å; L48-A51 PolarHBondContact O-N 3.13Å; A51-F53 PolarHBondContact O-N 3Å; A51-A54 PolarHBondContact O-N 3.42Å; A51-L55 HydrophobicContact CB-CD1 4.44Å; A51-L55 WeakPolarHBondContact O-CB 3.19Å; A51-L55 WeakPolarHBondContact O-CG 3.47Å; A51-L55 PolarHBondContact O-N 2.89Å; A51-W75 HydrophobicContact CB-CH2 3.8Å; A51-W75 HydrophobicContact CB-CZ3 3.62Å
52F98.9Very high98.8Very high2 Ų227 Ų271%0.00915%0.149CC..Hα-helixtrans-56.6-48.9173.3164.4-98000112.8L48 T49 I50 A54 L55 S56 T127 S130 C131 I134 Y323 N345L48-F52 PolarHBondContact O-N 3.27Å; T49-F52 WeakPolarHBondContact O-CB 3.14Å; T49-F52 PolarHBondContact O-N 3.37Å; I50-F52 VanDerWaalsContact C-N 3.33Å; F52-A54 VanDerWaalsContact C-N 3.27Å; F52-A54 PolarHBondContact O-N 3.32Å; F52-L55 PolarHBondContact O-N 3.38Å; F52-S56 WeakPolarHBondContact O-CB 3.5Å; F52-S56 PolarHBondContact O-N 2.81Å; F52-T127 HydrophobicContact CB-CG2 3.89Å; F52-T127 HydrophobicContact CD1-CG2 4.01Å; F52-T127 HydrophobicContact CD2-CG2 4.46Å; F52-T127 HydrophobicContact CG-CG2 3.84Å; F52-S130 VanDerWaalsContact CE2-OG 3.32Å; F52-S130 WeakPolarHBondContact CE2-OG 3.46Å; F52-C131 WeakPolarHBondContact CA-SG 3.49Å; F52-C131 VanDerWaalsContact CB-SG 3.59Å; F52-I134 HydrophobicContact CD2-CD1 4.2Å; F52-I134 HydrophobicContact CE2-CD1 4.16Å; F52-Y323 HydrophobicContact CE1-CD1 4.48Å; F52-Y323 AromaticContact CE1-CE1 3.92Å; F52-Y323 HydrophobicContact CE1-CE1 3.92Å; F52-Y323 HydrophobicContact CZ-CE1 4.11Å; F52-N345 WeakPolarHBondContact CZ-ND2 3.42Å; F52-N345 WeakPolarHBondContact CZ-O 3.29Å
53F98.9Very high98.9Very high16 Ų1622.5 Ų22.57%0.0712%0.118CC..Hα-helixtrans-59.3-40178.3-67.2-37.7000112.2T49 I50 A51 G57 A319 L320 Y323 F324T49-F53 HydrophobicContact CG2-CD2 4.27Å; T49-F53 HydrophobicContact CG2-CE1 4.36Å; T49-F53 HydrophobicContact CG2-CE2 3.65Å; T49-F53 HydrophobicContact CG2-CZ 3.69Å; T49-F53 WeakPolarHBondContact O-CD2 3.48Å; T49-F53 WeakPolarHBondContact O-CG 3.4Å; T49-F53 PolarHBondContact O-N 2.83Å; I50-F53 HydrophobicContact CD1-CD2 4.24Å; I50-F53 PolarHBondContact O-N 3.47Å; A51-F53 PolarHBondContact O-N 3Å; F53-G57 WeakPolarHBondContact O-CA 3.36Å; F53-G57 PolarHBondContact O-N 3.43Å; F53-A319 HydrophobicContact CB-CB 4.07Å; F53-A319 HydrophobicContact CD2-CB 4.2Å; F53-L320 HydrophobicContact CD2-CB 4.13Å; F53-L320 HydrophobicContact CE2-CB 3.67Å; F53-L320 HydrophobicContact CE2-CD1 4.09Å; F53-L320 HydrophobicContact CE2-CG 4.04Å; F53-L320 HydrophobicContact CZ-CB 4.04Å; F53-L320 HydrophobicContact CZ-CD1 3.93Å; F53-L320 HydrophobicContact CZ-CG 3.9Å; F53-Y323 HydrophobicContact CB-CG 4.39Å; F53-Y323 AromaticContact CD1-CD1 3.53Å; F53-Y323 HydrophobicContact CD1-CD1 3.53Å; F53-Y323 HydrophobicContact CD1-CE1 4.28Å; F53-Y323 AromaticContact CD1-CG 3.89Å; F53-Y323 HydrophobicContact CD1-CG 3.89Å; F53-Y323 HydrophobicContact CE1-CD1 4.02Å; F53-F324 AromaticContact CE1-CE2 3.79Å; F53-F324 HydrophobicContact CE1-CE2 3.79Å; F53-F324 HydrophobicContact CE1-CZ 4.01Å; F53-F324 HydrophobicContact CZ-CE2 4.16Å
54A98.9Very high98.9Very high0 Ų020.5 Ų20.50%011%0.107CC..Hα-helixtrans-73.1-46.6179.100000113.1F29 C32 L33 I50 A51 F52 G57 L58F29-A54 HydrophobicContact CB-CB 4.06Å; F29-A54 HydrophobicContact CD1-CB 4.06Å; F29-A54 HydrophobicContact CG-CB 4.43Å; C32-A54 HydrophobicContact CB-CB 3.97Å; L33-A54 HydrophobicContact CD1-CB 4.04Å; L33-A54 HydrophobicContact CD2-CB 3.83Å; L33-A54 HydrophobicContact CG-CB 3.62Å; I50-A54 PolarHBondContact O-N 3.4Å; I50-A54 VanDerWaalsContact O-N 3.08Å; A51-A54 PolarHBondContact O-N 3.42Å; F52-A54 VanDerWaalsContact C-N 3.27Å; F52-A54 PolarHBondContact O-N 3.32Å; A54-G57 PolarHBondContact O-N 3.5Å; A54-L58 WeakPolarHBondContact O-CB 3.39Å; A54-L58 VanDerWaalsContact O-CG 3.28Å; A54-L58 WeakPolarHBondContact O-CG 3.36Å; A54-L58 PolarHBondContact O-N 3.13Å
55L98.9Very high98.9Very high0 Ų023.6 Ų23.60%013%0.126CC..Hα-helixtrans-67.4-47.7-179.7-67.6168.7000111.7L33 A51 F52 G57 L58 D59 L64 V67 I72 C131 I134 L135L33-L55 HydrophobicContact CD1-CD2 3.71Å; L33-L55 HydrophobicContact CD1-CG 4.19Å; L33-L55 HydrophobicContact CD2-CD2 4.37Å; L33-L55 HydrophobicContact CD2-CG 4.13Å; A51-L55 HydrophobicContact CB-CD1 4.44Å; A51-L55 WeakPolarHBondContact O-CB 3.19Å; A51-L55 WeakPolarHBondContact O-CG 3.47Å; A51-L55 PolarHBondContact O-N 2.89Å; F52-L55 PolarHBondContact O-N 3.38Å; L55-G57 VanDerWaalsContact C-N 3.29Å; L55-G57 PolarHBondContact O-N 2.8Å; L55-L58 PolarHBondContact O-N 3.3Å; L55-D59 WeakPolarHBondContact O-CB 3.27Å; L55-D59 PolarHBondContact O-N 2.97Å; L55-L64 HydrophobicContact CD2-CD2 4.41Å; L55-V67 HydrophobicContact CD2-CG2 4.38Å; L55-I72 HydrophobicContact CD1-CG2 3.94Å; L55-I72 HydrophobicContact CD2-CD1 3.99Å; L55-I72 HydrophobicContact CD2-CG2 4.47Å; L55-C131 HydrophobicContact CD1-CB 4Å; L55-I134 HydrophobicContact CB-CG2 4.45Å; L55-L135 HydrophobicContact CD1-CD1 4.02Å; L55-L135 HydrophobicContact CD1-CG 4.35Å; L55-L135 HydrophobicContact CD2-CD2 3.82Å; L55-L135 HydrophobicContact CD2-CG 4.5Å
56S98.9Very high98.9Very high0 Ų022.5 Ų22.50%012%0.119CC..Hα-helixtrans-65.6-36.4175.3-164.20000110.6F52 D59 M60 Y323F52-S56 WeakPolarHBondContact O-CB 3.5Å; F52-S56 PolarHBondContact O-N 2.81Å; S56-D59 PolarHBondContact O-N 2.96Å; S56-M60 VanDerWaalsContact O-CB 3.29Å; S56-M60 WeakPolarHBondContact O-CB 3.45Å; S56-M60 WeakPolarHBondContact O-CG 3.41Å; S56-M60 PolarHBondContact O-N 2.75Å; S56-Y323 WeakPolarHBondContact OG-CE2 3.49Å; S56-Y323 PolarHBondContact OG-OH 3.41Å
57G98.9Very high98.8Very high0 Ų022.3 Ų22.30%012%0.116CC..Hα-helixtrans-61.1-44.3172.200000113.3F53 A54 L55 M60 L61F53-G57 WeakPolarHBondContact O-CA 3.36Å; F53-G57 PolarHBondContact O-N 3.43Å; A54-G57 PolarHBondContact O-N 3.5Å; L55-G57 VanDerWaalsContact C-N 3.29Å; L55-G57 PolarHBondContact O-N 2.8Å; G57-M60 PolarHBondContact O-N 3.32Å; G57-L61 VanDerWaalsContact O-CG 3.28Å; G57-L61 WeakPolarHBondContact O-CG 3.21Å; G57-L61 PolarHBondContact O-N 2.95Å; G57-L61 VanDerWaalsContact O-N 3.08Å
58L98.9Very high98.8Very high0 Ų022 Ų220%012%0.122CC..Hα-helixtrans-66-40174.3-72.9170000112.1V26 F29 L33 A54 L55 L61 D62 S63 L64 V66 V67V26-L58 HydrophobicContact CB-CD2 4.36Å; V26-L58 HydrophobicContact CG1-CD2 3.88Å; F29-L58 HydrophobicContact CB-CD1 4.23Å; F29-L58 HydrophobicContact CB-CD2 3.97Å; F29-L58 HydrophobicContact CB-CG 3.74Å; F29-L58 HydrophobicContact CD2-CG 4.48Å; F29-L58 HydrophobicContact CG-CG 4.5Å; L33-L58 HydrophobicContact CD1-CD1 3.94Å; A54-L58 WeakPolarHBondContact O-CB 3.39Å; A54-L58 VanDerWaalsContact O-CG 3.28Å; A54-L58 WeakPolarHBondContact O-CG 3.36Å; A54-L58 PolarHBondContact O-N 3.13Å; L55-L58 PolarHBondContact O-N 3.3Å; L58-L61 CarbonylContact O-C 3.58Å; L58-L61 PolarHBondContact O-N 3.33Å; L58-D62 PolarHBondContact O-N 3.24Å; L58-S63 PolarHBondContact O-N 3.39Å; L58-L64 HydrophobicContact CB-CD2 4.07Å; L58-V66 HydrophobicContact CD1-CG2 4.13Å; L58-V66 HydrophobicContact CD2-CG2 4Å; L58-V67 HydrophobicContact CD1-CG1 3.79Å
59D98.9Very high98.8Very high1 Ų126 Ų261%0.00514%0.139CC..Hα-helixtrans-62.4-45.3174.2-175.641.1000111.6L55 S56 L61 D62 L64 I134 S347 R349 T350L55-D59 WeakPolarHBondContact O-CB 3.27Å; L55-D59 PolarHBondContact O-N 2.97Å; S56-D59 PolarHBondContact O-N 2.96Å; D59-L61 PolarHBondContact O-N 2.97Å; D59-D62 PolarHBondContact O-N 3.11Å; D59-L64 HydrophobicContact CB-CD1 3.8Å; D59-L64 HydrophobicContact CB-CD2 4.42Å; D59-L64 HydrophobicContact CB-CG 3.95Å; D59-I134 HydrophobicContact CB-CG2 3.82Å; D59-S347 WeakPolarHBondContact OD2-CB 3.14Å; D59-S347 PolarHBondContact OD2-OG 2.92Å; D59-R349 IonicContact OD1-CZ 3.6Å; D59-R349 IonicContact OD1-NE 3.5Å; D59-R349 IonicContact OD1-NH1 3.99Å; D59-R349 PolarHBondContact OD1-NH1 3.14Å; D59-T350 PolarHBondContact OD2-OG1 3.36Å
60M98.9Very high98.8Very high0 Ų030.2 Ų30.20%016%0.16CC..Hα-helixtrans-60.7-27.9175.3-74.9-58.3-51.100112.9S56 G57 Y323 I326 S330 I337 C338 V340 S347S56-M60 VanDerWaalsContact O-CB 3.29Å; S56-M60 WeakPolarHBondContact O-CB 3.45Å; S56-M60 WeakPolarHBondContact O-CG 3.41Å; S56-M60 PolarHBondContact O-N 2.75Å; G57-M60 PolarHBondContact O-N 3.32Å; M60-Y323 HydrophobicContact CG-CE2 4.32Å; M60-I326 HydrophobicContact CB-CG2 3.96Å; M60-S330 VanDerWaalsContact CE-OG 3.3Å; M60-S330 WeakPolarHBondContact CE-OG 3.47Å; M60-I337 HydrophobicContact CE-CG2 3.93Å; M60-C338 HydrophobicContact CE-CB 4.24Å; M60-C338 WeakPolarHBondContact CE-O 3.35Å; M60-C338 WeakPolarHBondContact O-CB 3.44Å; M60-C338 PolarHBondContact O-N 3.36Å; M60-V340 HydrophobicContact CE-CB 3.83Å; M60-V340 HydrophobicContact SD-CB 4.04Å; M60-V340 HydrophobicContact SD-CG2 4.27Å; M60-S347 VanDerWaalsContact SD-CA 3.54Å; M60-S347 VanDerWaalsContact SD-CB 3.58Å
61L98.9Very high98.8Very high0 Ų034.2 Ų34.20%018%0.182CC..THydrogen-bonded Turntrans-94.44.3174.9-62.4175.7000113.4F20 R22 H25 V26 F29 G57 L58 D59 S63 I326 I337F20-L61 HydrophobicContact CE1-CD2 3.85Å; F20-L61 HydrophobicContact CZ-CD2 3.6Å; R22-L61 HydrophobicContact CG-CD2 4.4Å; R22-L61 PolarHBondContact NE-O 3.24Å; R22-L61 PolarHBondContact NH2-O 3.25Å; H25-L61 HydrophobicContact CB-CD1 3.71Å; V26-L61 HydrophobicContact CG2-CB 4.15Å; V26-L61 HydrophobicContact CG2-CD1 3.87Å; F29-L61 HydrophobicContact CD2-CD1 4.23Å; F29-L61 HydrophobicContact CE2-CD1 4.08Å; G57-L61 VanDerWaalsContact O-CG 3.28Å; G57-L61 WeakPolarHBondContact O-CG 3.21Å; G57-L61 PolarHBondContact O-N 2.95Å; G57-L61 VanDerWaalsContact O-N 3.08Å; L58-L61 CarbonylContact O-C 3.58Å; L58-L61 PolarHBondContact O-N 3.33Å; D59-L61 PolarHBondContact O-N 2.97Å; L61-S63 PolarHBondContact O-OG 3.13Å; L61-I326 HydrophobicContact CD1-CD1 3.85Å; L61-I326 HydrophobicContact CD2-CD1 4.18Å; L61-I326 HydrophobicContact CD2-CG2 4.18Å; L61-I326 HydrophobicContact CG-CD1 4.18Å; L61-I337 HydrophobicContact CD2-CG1 4.05Å
62D98.8Very high98.8Very high94 Ų9435.2 Ų35.250%0.50319%0.186SC..THydrogen-bonded Turntrans52.158.2-173.8-164.437000112.7R22 L58 D59 R349R22-D62 PolarHBondContact NH2-O 3.13Å; L58-D62 PolarHBondContact O-N 3.24Å; D59-D62 PolarHBondContact O-N 3.11Å; D62-R349 VanDerWaalsContact CG-NH2 3.26Å; D62-R349 IonicContact OD1-CZ 3.48Å; D62-R349 VanDerWaalsContact OD1-CZ 3.28Å; D62-R349 IonicContact OD1-NH1 3.44Å; D62-R349 PolarHBondContact OD1-NH1 3.03Å; D62-R349 VanDerWaalsContact OD1-NH1 3.11Å; D62-R349 IonicContact OD1-NH2 2.64Å; D62-R349 PolarHBondContact OD1-NH2 3.28Å
63S98.8Very high98.8Very high6 Ų635.5 Ų35.54%0.04219%0.188CC..  trans-144.632.9-176.3-60.20000112.4R22 V26 L58 L61 D65 V66R22-S63 PolarHBondContact NH2-OG 2.77Å; V26-S63 WeakPolarHBondContact CG2-OG 3.49Å; L58-S63 PolarHBondContact O-N 3.39Å; L61-S63 PolarHBondContact O-OG 3.13Å; S63-D65 VanDerWaalsContact C-OD1 3.29Å; S63-D65 VanDerWaalsContact CA-OD1 3.25Å; S63-D65 WeakPolarHBondContact CA-OD1 3.45Å; S63-D65 PolarHBondContact O-N 2.85Å; S63-V66 WeakPolarHBondContact O-CG2 3.33Å
64L98.7Very high98.8Very high8 Ų837 Ų374%0.04220%0.195CC..G310 helixtrans-72.2-11174.5-81.2179.7000113.3L55 L58 D59 V66 V67 K69 I134 L135L55-L64 HydrophobicContact CD2-CD2 4.41Å; L58-L64 HydrophobicContact CB-CD2 4.07Å; D59-L64 HydrophobicContact CB-CD1 3.8Å; D59-L64 HydrophobicContact CB-CD2 4.42Å; D59-L64 HydrophobicContact CB-CG 3.95Å; L64-V66 PolarHBondContact O-N 3.21Å; L64-V67 HydrophobicContact CD2-CG2 4.43Å; L64-V67 VanDerWaalsContact O-CG2 3.28Å; L64-V67 WeakPolarHBondContact O-CG2 3.49Å; L64-K69 WeakPolarHBondContact O-CE 3.13Å; L64-I134 HydrophobicContact CD1-CG2 3.78Å; L64-I134 WeakPolarHBondContact CD1-O 3.45Å; L64-I134 HydrophobicContact CD2-CG2 4.2Å; L64-L135 HydrophobicContact CD2-CD2 4.45Å
65D98.6Very high98.8Very high127 Ų12739.8 Ų39.868%0.67921%0.206SC*.G310 helixtrans-67.7-20.9174.359.4-64.9000112.9S63 V67S63-D65 VanDerWaalsContact C-OD1 3.29Å; S63-D65 VanDerWaalsContact CA-OD1 3.25Å; S63-D65 WeakPolarHBondContact CA-OD1 3.45Å; S63-D65 PolarHBondContact O-N 2.85Å; D65-V67 PolarHBondContact O-N 2.68Å
66V98.6Very high98.8Very high53 Ų5339.8 Ų39.832%0.32121%0.206SC..G310 helixtrans-78.4-1.3-178.9-48.40000113.9V26 Q30 L58 S63 L64V26-V66 HydrophobicContact CG1-CG1 4.36Å; V26-V66 HydrophobicContact CG1-CG2 4.5Å; Q30-V66 HydrophobicContact CG-CB 4.37Å; Q30-V66 HydrophobicContact CG-CG2 3.57Å; L58-V66 HydrophobicContact CD1-CG2 4.13Å; L58-V66 HydrophobicContact CD2-CG2 4Å; S63-V66 WeakPolarHBondContact O-CG2 3.33Å; L64-V66 PolarHBondContact O-N 3.21Å
67V98.5Very high98.8Very high24 Ų2439.8 Ų39.815%0.14521%0.206CC..SBendtrans-124148.9-179.6-61.90000111.1L33 L55 L58 L64 D65 K69 I72L33-V67 HydrophobicContact CD1-CG1 3.83Å; L55-V67 HydrophobicContact CD2-CG2 4.38Å; L58-V67 HydrophobicContact CD1-CG1 3.79Å; L64-V67 HydrophobicContact CD2-CG2 4.43Å; L64-V67 VanDerWaalsContact O-CG2 3.28Å; L64-V67 WeakPolarHBondContact O-CG2 3.49Å; D65-V67 PolarHBondContact O-N 2.68Å; V67-K69 PolarHBondContact O-N 3.28Å; V67-I72 HydrophobicContact CB-CD1 3.89Å; V67-I72 HydrophobicContact CG1-CD1 4.45Å; V67-I72 HydrophobicContact CG2-CD1 4.15Å
68N98.5Very high98.8Very high82 Ų8240.5 Ų40.544%0.43921%0.211SC..  trans-77102.8169.4-171.2-16.3000109.4D70 D71 I72N68-D70 VanDerWaalsContact C-N 3.33Å; N68-D70 PolarHBondContact O-N 3.13Å; N68-D70 PolarHBondContact OD1-N 3.13Å; N68-D71 HydrophobicContact CB-CB 4.19Å; N68-D71 VanDerWaalsContact CG-CG 3.49Å; N68-D71 VanDerWaalsContact CG-OD2 3.28Å; N68-D71 PolarHBondContact ND2-OD1 2.99Å; N68-D71 PolarHBondContact ND2-OD2 2.93Å; N68-D71 PolarHBondContact OD1-N 2.87Å; N68-I72 WeakPolarHBondContact O-CG1 3.29Å; N68-I72 PolarHBondContact O-N 3.12Å
69K98.7Very high98.8Very high82 Ų8240.5 Ų40.536%0.35721%0.211SC..Hα-helixtrans-62.8-40.6-177-57.9-175.7179.8-175.40111.8L64 V67 I72 I73 L135L64-K69 WeakPolarHBondContact O-CE 3.13Å; V67-K69 PolarHBondContact O-N 3.28Å; K69-I72 PolarHBondContact O-N 3.19Å; K69-I73 WeakPolarHBondContact O-CB 3.23Å; K69-I73 WeakPolarHBondContact O-CD1 3.35Å; K69-I73 WeakPolarHBondContact O-CG1 3.22Å; K69-I73 PolarHBondContact O-N 2.72Å; K69-L135 HydrophobicContact CB-CD2 4.21Å; K69-L135 WeakPolarHBondContact CD-O 3.35Å; K69-L135 HydrophobicContact CG-CD2 4.09Å
70D98.6Very high98.8Very high115 Ų11540.8 Ų40.862%0.61521%0.212SC*.Hα-helixtrans-66-45.8-175.7-64.9-36.5000111.5N68 I72 I73 E74N68-D70 VanDerWaalsContact C-N 3.33Å; N68-D70 PolarHBondContact O-N 3.13Å; N68-D70 PolarHBondContact OD1-N 3.13Å; D70-I72 VanDerWaalsContact C-N 3.29Å; D70-I72 PolarHBondContact O-N 3.37Å; D70-I73 PolarHBondContact O-N 3.5Å; D70-E74 WeakPolarHBondContact O-CG 3.28Å; D70-E74 PolarHBondContact O-N 3.35Å
71D98.7Very high98.8Very high103 Ų10340.9 Ų40.955%0.55121%0.213SC*.Hα-helixtrans-59.4-42.1177.7-69-15.2000111.7N68 E74 W75N68-D71 HydrophobicContact CB-CB 4.19Å; N68-D71 VanDerWaalsContact CG-CG 3.49Å; N68-D71 VanDerWaalsContact CG-OD2 3.28Å; N68-D71 PolarHBondContact ND2-OD1 2.99Å; N68-D71 PolarHBondContact ND2-OD2 2.93Å; N68-D71 PolarHBondContact OD1-N 2.87Å; D71-E74 PolarHBondContact O-N 3.05Å; D71-W75 PolarHBondContact O-N 2.75Å
72I98.9Very high98.8Very high26 Ų2641.9 Ų41.913%0.13322%0.218CC..Hα-helixtrans-71.4-38.2-179.6-60.3174.7000110.5L33 L55 V67 N68 K69 D70 W75 I76 L135L33-I72 HydrophobicContact CD1-CD1 4.48Å; L55-I72 HydrophobicContact CD1-CG2 3.94Å; L55-I72 HydrophobicContact CD2-CD1 3.99Å; L55-I72 HydrophobicContact CD2-CG2 4.47Å; V67-I72 HydrophobicContact CB-CD1 3.89Å; V67-I72 HydrophobicContact CG1-CD1 4.45Å; V67-I72 HydrophobicContact CG2-CD1 4.15Å; N68-I72 WeakPolarHBondContact O-CG1 3.29Å; N68-I72 PolarHBondContact O-N 3.12Å; K69-I72 PolarHBondContact O-N 3.19Å; D70-I72 VanDerWaalsContact C-N 3.29Å; D70-I72 PolarHBondContact O-N 3.37Å; I72-W75 HydrophobicContact CG2-CE3 4.33Å; I72-W75 PolarHBondContact O-N 3.29Å; I72-I76 HydrophobicContact CG2-CD1 3.95Å; I72-I76 HydrophobicContact CG2-CG1 4.4Å; I72-I76 VanDerWaalsContact O-CG1 3.27Å; I72-I76 WeakPolarHBondContact O-CG1 3.35Å; I72-I76 PolarHBondContact O-N 3.31Å; I72-L135 HydrophobicContact CB-CD1 3.98Å; I72-L135 HydrophobicContact CG2-CD1 3.55Å
73I98.9Very high98.8Very high9 Ų938.2 Ų38.25%0.04620%0.199CC..Hα-helixtrans-59.8-47.3173.4-74.1164.3000110.4K69 D70 W75 I76 Y77 L132 L135 D137K69-I73 WeakPolarHBondContact O-CB 3.23Å; K69-I73 WeakPolarHBondContact O-CD1 3.35Å; K69-I73 WeakPolarHBondContact O-CG1 3.22Å; K69-I73 PolarHBondContact O-N 2.72Å; D70-I73 PolarHBondContact O-N 3.5Å; I73-W75 VanDerWaalsContact C-N 3.31Å; I73-W75 PolarHBondContact O-N 3.03Å; I73-I76 PolarHBondContact O-N 2.71Å; I73-Y77 HydrophobicContact CG2-CD2 3.62Å; I73-Y77 HydrophobicContact CG2-CE2 3.7Å; I73-Y77 WeakPolarHBondContact O-CD2 3.49Å; I73-Y77 PolarHBondContact O-N 3.32Å; I73-L132 HydrophobicContact CG1-CD2 4.38Å; I73-L132 HydrophobicContact CG2-CD2 4.07Å; I73-L135 HydrophobicContact CD1-CB 3.97Å; I73-L135 HydrophobicContact CG1-CB 3.83Å; I73-L135 HydrophobicContact CG1-CD1 3.87Å; I73-L135 HydrophobicContact CG1-CG 4.49Å; I73-D137 HydrophobicContact CD1-CB 4.01Å; I73-D137 HydrophobicContact CG1-CB 4.27Å; I73-D137 HydrophobicContact CG2-CB 4.37Å
74E98.9Very high98.7Very high47 Ų4738.5 Ų38.522%0.2220%0.2CC..Hα-helixtrans-60.7-41.3176.8-67-60.2107.300111.4D70 D71 Y77 S78 P107 K109 R141D70-E74 WeakPolarHBondContact O-CG 3.28Å; D70-E74 PolarHBondContact O-N 3.35Å; D71-E74 PolarHBondContact O-N 3.05Å; E74-Y77 PolarHBondContact O-N 3.39Å; E74-S78 PolarHBondContact O-N 3.1Å; E74-P107 HydrophobicContact CB-CB 4.24Å; E74-P107 WeakPolarHBondContact O-CB 2.94Å; E74-P107 WeakPolarHBondContact OE2-CB 3.28Å; E74-P107 WeakPolarHBondContact OE2-CG 3.46Å; E74-K109 VanDerWaalsContact OE2-CE 3.27Å; E74-K109 WeakPolarHBondContact OE2-CE 3.36Å; E74-K109 IonicContact OE2-NZ 3.43Å; E74-K109 PolarHBondContact OE2-NZ 3.06Å; E74-R141 IonicContact OE1-CZ 3.75Å; E74-R141 IonicContact OE1-NH1 2.72Å; E74-R141 PolarHBondContact OE1-NH1 3.35Å; E74-R141 IonicContact OE1-NH2 3.22Å
75W98.9Very high98.6Very high58 Ų5846.3 Ų46.322%0.2224%0.237CC..Hα-helixtrans-61.3-46.9174.5172.171.5000112.1L48 A51 D71 I72 I73 Y77 S78 L79L48-W75 HydrophobicContact CD1-CH2 3.95Å; L48-W75 HydrophobicContact CD1-CZ3 3.82Å; A51-W75 HydrophobicContact CB-CH2 3.8Å; A51-W75 HydrophobicContact CB-CZ3 3.62Å; D71-W75 PolarHBondContact O-N 2.75Å; I72-W75 HydrophobicContact CG2-CE3 4.33Å; I72-W75 PolarHBondContact O-N 3.29Å; I73-W75 VanDerWaalsContact C-N 3.31Å; I73-W75 PolarHBondContact O-N 3.03Å; W75-Y77 VanDerWaalsContact C-N 3.34Å; W75-Y77 PolarHBondContact O-N 3.05Å; W75-S78 WeakPolarHBondContact O-CB 3.42Å; W75-S78 PolarHBondContact O-N 3.33Å; W75-S78 VanDerWaalsContact O-N 3.07Å; W75-S78 PolarHBondContact O-OG 3.45Å; W75-L79 HydrophobicContact CH2-CD1 4.08Å; W75-L79 HydrophobicContact CZ2-CD1 3.76Å
76I98.9Very high98.5Very high0 Ų045.9 Ų45.90%024%0.235CC..Hα-helixtrans-61.6-44.1178.4-65.5159.9000110.5L48 I72 I73 S78 L79 F95 C131 L132 L135L48-I76 HydrophobicContact CD1-CG1 4.03Å; L48-I76 HydrophobicContact CD1-CG2 4.4Å; I72-I76 HydrophobicContact CG2-CD1 3.95Å; I72-I76 HydrophobicContact CG2-CG1 4.4Å; I72-I76 VanDerWaalsContact O-CG1 3.27Å; I72-I76 WeakPolarHBondContact O-CG1 3.35Å; I72-I76 PolarHBondContact O-N 3.31Å; I73-I76 PolarHBondContact O-N 2.71Å; I76-S78 PolarHBondContact O-N 3.24Å; I76-L79 WeakPolarHBondContact O-CB 3.48Å; I76-L79 PolarHBondContact O-N 3.19Å; I76-F95 HydrophobicContact CG2-CD1 4.22Å; I76-F95 HydrophobicContact CG2-CE1 3.87Å; I76-F95 WeakPolarHBondContact O-CE1 3.49Å; I76-C131 HydrophobicContact CD1-CB 3.47Å; I76-C131 VanDerWaalsContact CD1-CB 3.47Å; I76-C131 HydrophobicContact CG1-CB 4.48Å; I76-L132 HydrophobicContact CB-CD2 4.12Å; I76-L132 HydrophobicContact CB-CG 4.49Å; I76-L132 HydrophobicContact CD1-CD2 4.36Å; I76-L132 HydrophobicContact CG2-CD1 4.13Å; I76-L132 HydrophobicContact CG2-CD2 3.92Å; I76-L132 HydrophobicContact CG2-CG 3.79Å; I76-L135 HydrophobicContact CD1-CD1 3.65Å
77Y98.9Very high98.4Very high0 Ų050.2 Ų50.20%025%0.245CC..Hα-helixtrans-65.4-23176.8-84.7-61.4000113.5I73 E74 W75 L79 Q80 S108 L132 D137 R141 V142I73-Y77 HydrophobicContact CG2-CD2 3.62Å; I73-Y77 HydrophobicContact CG2-CE2 3.7Å; I73-Y77 WeakPolarHBondContact O-CD2 3.49Å; I73-Y77 PolarHBondContact O-N 3.32Å; E74-Y77 PolarHBondContact O-N 3.39Å; W75-Y77 VanDerWaalsContact C-N 3.34Å; W75-Y77 PolarHBondContact O-N 3.05Å; Y77-L79 PolarHBondContact O-N 3.39Å; Y77-Q80 PolarHBondContact O-N 3.35Å; Y77-S108 PolarHBondContact O-N 3.22Å; Y77-S108 PolarHBondContact O-OG 3.45Å; Y77-L132 HydrophobicContact CD2-CD2 3.85Å; Y77-L132 HydrophobicContact CE1-CD1 3.88Å; Y77-L132 HydrophobicContact CE2-CD1 4.16Å; Y77-L132 HydrophobicContact CE2-CD2 3.44Å; Y77-L132 VanDerWaalsContact CE2-CD2 3.44Å; Y77-L132 HydrophobicContact CE2-CG 4.44Å; Y77-D137 WeakPolarHBondContact CE2-OD2 3.28Å; Y77-D137 PolarHBondContact OH-OD1 2.94Å; Y77-R141 HydrophobicContact CD1-CB 3.97Å; Y77-R141 HydrophobicContact CE1-CB 3.45Å; Y77-R141 VanDerWaalsContact CE1-CB 3.45Å; Y77-R141 HydrophobicContact CE2-CB 4.24Å; Y77-R141 VanDerWaalsContact CE2-NE 3.32Å; Y77-V142 HydrophobicContact CE1-CG2 3.84Å
78S98.9Very high98.3Very high15 Ų1553 Ų5311%0.10527%0.265CS..Hα-helixtrans-67.6-20.9171.583.50000113.5E74 W75 I76 R96 F105 N106E74-S78 PolarHBondContact O-N 3.1Å; W75-S78 WeakPolarHBondContact O-CB 3.42Å; W75-S78 PolarHBondContact O-N 3.33Å; W75-S78 VanDerWaalsContact O-N 3.07Å; W75-S78 PolarHBondContact O-OG 3.45Å; I76-S78 PolarHBondContact O-N 3.24Å; S78-R96 PolarHBondContact O-NH1 3.22Å; S78-F105 VanDerWaalsContact CB-CD2 3.46Å; S78-F105 WeakPolarHBondContact OG-CE2 3.49Å; S78-N106 VanDerWaalsContact CA-O 3.29Å; S78-N106 WeakPolarHBondContact CA-O 3.26Å
79L98.9Very high98.3Very high1 Ų150.1 Ų50.11%0.00525%0.25CS..THydrogen-bonded Turntrans-88.6-8179.1-55.7-179.7000112.8L48 W75 I76 Y77 V81 F95 R96 S98L48-L79 HydrophobicContact CB-CD1 4.24Å; L48-L79 HydrophobicContact CD1-CD1 4.16Å; L48-L79 HydrophobicContact CD2-CD1 4.06Å; L48-L79 HydrophobicContact CG-CD1 4.4Å; W75-L79 HydrophobicContact CH2-CD1 4.08Å; W75-L79 HydrophobicContact CZ2-CD1 3.76Å; I76-L79 WeakPolarHBondContact O-CB 3.48Å; I76-L79 PolarHBondContact O-N 3.19Å; Y77-L79 PolarHBondContact O-N 3.39Å; L79-V81 PolarHBondContact O-N 3.25Å; L79-F95 HydrophobicContact CB-CD1 4.33Å; L79-F95 CarbonylContact O-C 3.54Å; L79-F95 WeakPolarHBondContact O-CA 3.33Å; L79-R96 HydrophobicContact CB-CB 4.33Å; L79-R96 WeakPolarHBondContact O-CG 3.46Å; L79-R96 PolarHBondContact O-N 3.26Å; L79-R96 PolarHBondContact O-NH1 2.97Å; L79-S98 VanDerWaalsContact CD2-C 3.47Å
80Q98.9Very high98.3Very high7 Ų748.7 Ų48.73%0.03325%0.246CC..EExtended strand (participates in β ladder)trans-67.1128.1176.6-168.9171.5-164.800110.2Y77 L82 G94 F95 R96 S108 R141Y77-Q80 PolarHBondContact O-N 3.35Å; Q80-L82 HydrophobicContact CG-CD2 3.95Å; Q80-L82 HydrophobicContact CG-CG 4.23Å; Q80-L82 PolarHBondContact O-N 3.18Å; Q80-G94 CarbonylContact C-O 3.58Å; Q80-G94 WeakPolarHBondContact CA-O 3.47Å; Q80-F95 HydrophobicContact CB-CD1 4.13Å; Q80-F95 HydrophobicContact CB-CE1 3.78Å; Q80-F95 HydrophobicContact CB-CE2 4.45Å; Q80-F95 HydrophobicContact CB-CZ 3.95Å; Q80-F95 HydrophobicContact CG-CE1 4.3Å; Q80-F95 HydrophobicContact CG-CE2 4.09Å; Q80-F95 HydrophobicContact CG-CZ 3.96Å; Q80-R96 PolarHBondContact O-NH1 2.68Å; Q80-R96 VanDerWaalsContact O-NH1 3.08Å; Q80-S108 WeakPolarHBondContact CB-OG 3.37Å; Q80-S108 PolarHBondContact NE2-OG 2.88Å; Q80-R141 PolarHBondContact NE2-O 2.61Å
81V98.8Very high98.3Very high2 Ų246.9 Ų46.91%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-86.996.9168.5-1760000106.8L79 C93 G94 R96L79-V81 PolarHBondContact O-N 3.25Å; V81-C93 WeakPolarHBondContact O-CA 3.14Å; V81-C93 WeakPolarHBondContact O-CB 3.28Å; V81-G94 PolarHBondContact N-O 3.4Å; V81-G94 PolarHBondContact O-N 3.16Å; V81-R96 HydrophobicContact CG2-CG 3.58Å
82L98.8Very high98.3Very high21 Ų2144.1 Ų44.111%0.1122%0.218CC..PPolyproline II helixtrans-79.4154.6177.5-70.8174.3000111.2Q80 N89 A110 N143Q80-L82 HydrophobicContact CG-CD2 3.95Å; Q80-L82 HydrophobicContact CG-CG 4.23Å; Q80-L82 PolarHBondContact O-N 3.18Å; L82-N89 PolarHBondContact O-ND2 3.4Å; L82-N89 VanDerWaalsContact O-ND2 3.15Å; L82-A110 WeakPolarHBondContact CD1-O 3.3Å; L82-N143 HydrophobicContact CD2-CB 3.95Å
83P98.4Very high98.3Very high16 Ų1643.2 Ų43.210%0.10421%0.214CC..PPolyproline II helixtrans-61.8141.816827.4-33.5000110.1N89 G112 N143 A146P83-N89 WeakPolarHBondContact CA-OD1 3.43Å; P83-G112 PolarHBondContact O-N 3.38Å; P83-G112 VanDerWaalsContact O-N 3.11Å; P83-N143 WeakPolarHBondContact CG-ND2 3.41Å; P83-A146 HydrophobicContact CG-CB 4.28Å
84T97.9Very high98.3Very high12 Ų1242.8 Ų42.87%0.07421%0.212CC..PPolyproline II helixtrans-65.6166.616745.40000110.6D86 R87 S88 N89 A114T84-D86 VanDerWaalsContact C-N 3.28Å; T84-D86 PolarHBondContact O-N 3.24Å; T84-D86 PolarHBondContact OG1-OD1 3.3Å; T84-R87 WeakPolarHBondContact O-CA 3.47Å; T84-R87 PolarHBondContact O-N 2.83Å; T84-S88 PolarHBondContact OG1-N 3.31Å; T84-S88 PolarHBondContact OG1-OG 3.35Å; T84-N89 PolarHBondContact N-OD1 3.41Å; T84-N89 PolarHBondContact OG1-OD1 3.02Å; T84-A114 HydrophobicContact CG2-CB 4.03Å
85E95.7Very high98.3Very high173 Ų17340.6 Ų40.681%0.80820%0.202SC*.THydrogen-bonded Turntrans-57.3-39.9-179.3-66.6-174.3168.400112.9R87 P111E85-R87 PolarHBondContact O-N 3.47Å; E85-P111 HydrophobicContact CG-CB 4.11Å; E85-P111 HydrophobicContact CG-CG 4.37Å
86D96.6Very high98.3Very high118 Ų11839 Ų3963%0.63120%0.195SC*.THydrogen-bonded Turntrans-81.3-3.7176.372.2-1000113.5T84 S88T84-D86 VanDerWaalsContact C-N 3.28Å; T84-D86 PolarHBondContact O-N 3.24Å; T84-D86 PolarHBondContact OG1-OD1 3.3Å; D86-S88 PolarHBondContact O-N 3.46Å; D86-S88 VanDerWaalsContact O-N 3.16Å; D86-S88 WeakPolarHBondContact OD1-CB 3.39Å; D86-S88 PolarHBondContact OD1-N 3.14Å; D86-S88 PolarHBondContact OD1-OG 3.26Å; D86-S88 PolarHBondContact OD2-OG 3.03Å
87R96.9Very high98.3Very high143 Ų14339.1 Ų39.154%0.5420%0.197SC..  trans57.920.9-179.1-52.4-179.165.5174.20.9114.1T84 E85 N89 I90T84-R87 WeakPolarHBondContact O-CA 3.47Å; T84-R87 PolarHBondContact O-N 2.83Å; E85-R87 PolarHBondContact O-N 3.47Å; R87-N89 VanDerWaalsContact C-N 3.26Å; R87-N89 PolarHBondContact O-N 2.99Å; R87-I90 PolarHBondContact O-N 2.95Å
88S97.4Very high98.3Very high82 Ų8239.2 Ų39.257%0.57320%0.198SC*.THydrogen-bonded Turntrans-66.3-24.8-176.658.70000113.8T84 D86T84-S88 PolarHBondContact OG1-N 3.31Å; T84-S88 PolarHBondContact OG1-OG 3.35Å; D86-S88 PolarHBondContact O-N 3.46Å; D86-S88 VanDerWaalsContact O-N 3.16Å; D86-S88 WeakPolarHBondContact OD1-CB 3.39Å; D86-S88 PolarHBondContact OD1-N 3.14Å; D86-S88 PolarHBondContact OD1-OG 3.26Å; D86-S88 PolarHBondContact OD2-OG 3.03Å
89N98.3Very high98.3Very high22 Ų2241.5 Ų41.512%0.11821%0.214CC..THydrogen-bonded Turntrans-96.619.6-178.673.2-41.9000114.3L82 P83 T84 R87 N91 R92 C93L82-N89 PolarHBondContact O-ND2 3.4Å; L82-N89 VanDerWaalsContact O-ND2 3.15Å; P83-N89 WeakPolarHBondContact CA-OD1 3.43Å; T84-N89 PolarHBondContact N-OD1 3.41Å; T84-N89 PolarHBondContact OG1-OD1 3.02Å; R87-N89 VanDerWaalsContact C-N 3.26Å; R87-N89 PolarHBondContact O-N 2.99Å; N89-N91 PolarHBondContact O-N 3.18Å; N89-N91 VanDerWaalsContact O-N 3.13Å; N89-R92 PolarHBondContact O-N 3.39Å; N89-C93 PolarHBondContact O-SG 3.4Å; N89-C93 VanDerWaalsContact O-SG 3.41Å
90I98.3Very high98.3Very high52 Ų5247.3 Ų47.327%0.26724%0.237SC..G310 helixtrans-59.8-29-172.7-158.5170.3000113.7R87 R92 A146 A149 G150R87-I90 PolarHBondContact O-N 2.95Å; I90-R92 PolarHBondContact O-N 2.92Å; I90-A146 HydrophobicContact CG1-CB 4.4Å; I90-A149 HydrophobicContact CD1-CB 4.11Å; I90-A149 HydrophobicContact CG1-CB 3.74Å; I90-G150 PolarHBondContact O-N 2.9Å
91N98.5Very high98.3Very high77 Ų7749.1 Ų49.141%0.41225%0.246SC..G310 helixtrans-74.5-6.6175.262.9-17.7000114.1N89 A153N89-N91 PolarHBondContact O-N 3.18Å; N89-N91 VanDerWaalsContact O-N 3.13Å; N91-A153 HydrophobicContact CB-CB 3.79Å
92R98.8Very high98.2Very high46 Ų4652.1 Ų52.117%0.17428%0.278CS..G310 helixtrans-110.7-0178.8-55.8179.475.6-1753.3113.2N89 I90 P116 D118 S119 G120 P165 E166N89-R92 PolarHBondContact O-N 3.39Å; I90-R92 PolarHBondContact O-N 2.92Å; R92-P116 PolarHBondContact NH1-O 3.3Å; R92-P116 PolarHBondContact NH2-O 2.79Å; R92-D118 PolarHBondContact NE-O 3.13Å; R92-D118 PolarHBondContact NH2-O 3.46Å; R92-S119 CarbonylContact O-C 3.57Å; R92-S119 WeakPolarHBondContact O-CA 3.36Å; R92-G120 PolarHBondContact O-N 3.19Å; R92-P165 HydrophobicContact CB-CG 4.13Å; R92-P165 HydrophobicContact CG-CB 4.31Å; R92-P165 HydrophobicContact CG-CG 3.77Å; R92-E166 IonicContact CZ-OE1 2.93Å; R92-E166 IonicContact NE-OE1 2.97Å; R92-E166 PolarHBondContact NE-OE1 2.69Å; R92-E166 IonicContact NH2-OE1 3.64Å; R92-E166 PolarHBondContact NH2-OE1 3.19Å
93C98.9Very high98.2Very high7 Ų752.7 Ų52.75%0.04728%0.281CS..  trans-72.6154.1-177.2-66.90000112.2V81 N89 A146V81-C93 WeakPolarHBondContact O-CA 3.14Å; V81-C93 WeakPolarHBondContact O-CB 3.28Å; N89-C93 PolarHBondContact O-SG 3.4Å; N89-C93 VanDerWaalsContact O-SG 3.41Å; C93-A146 HydrophobicContact CB-CB 3.64Å; C93-A146 WeakPolarHBondContact CB-O 3.29Å
94G98.9Very high98.2Very high0 Ų056.7 Ų56.70%031%0.307CS..EExtended strand (participates in β ladder)trans150.4-145.3-172.500000110.2Q80 V81 T125Q80-G94 CarbonylContact C-O 3.58Å; Q80-G94 WeakPolarHBondContact CA-O 3.47Å; V81-G94 PolarHBondContact N-O 3.4Å; V81-G94 PolarHBondContact O-N 3.16Å; G94-T125 WeakPolarHBondContact CA-OG1 3.27Å
95F98.9Very high98.2Very high0 Ų062.7 Ų62.70%033%0.332CS..EExtended strand (participates in β ladder)trans-122.7144.7172.6-72-108.8000111.4L48 I76 L79 Q80 G120 H121 M124 T125 L129 L132 V142L48-F95 HydrophobicContact CD2-CB 4.16Å; I76-F95 HydrophobicContact CG2-CD1 4.22Å; I76-F95 HydrophobicContact CG2-CE1 3.87Å; I76-F95 WeakPolarHBondContact O-CE1 3.49Å; L79-F95 HydrophobicContact CB-CD1 4.33Å; L79-F95 CarbonylContact O-C 3.54Å; L79-F95 WeakPolarHBondContact O-CA 3.33Å; Q80-F95 HydrophobicContact CB-CD1 4.13Å; Q80-F95 HydrophobicContact CB-CE1 3.78Å; Q80-F95 HydrophobicContact CB-CE2 4.45Å; Q80-F95 HydrophobicContact CB-CZ 3.95Å; Q80-F95 HydrophobicContact CG-CE1 4.3Å; Q80-F95 HydrophobicContact CG-CE2 4.09Å; Q80-F95 HydrophobicContact CG-CZ 3.96Å; F95-G120 WeakPolarHBondContact O-CA 3.42Å; F95-H121 PolarHBondContact O-N 3.41Å; F95-M124 HydrophobicContact CB-CB 4.45Å; F95-M124 WeakPolarHBondContact O-CB 3.4Å; F95-T125 HydrophobicContact CD2-CG2 4.24Å; F95-T125 PolarHBondContact N-OG1 3.27Å; F95-L129 HydrophobicContact CE2-CD2 4.11Å; F95-L129 HydrophobicContact CE2-CG 4.4Å; F95-L132 HydrophobicContact CE1-CD1 4.37Å; F95-L132 HydrophobicContact CZ-CD1 4.09Å; F95-V142 HydrophobicContact CZ-CG2 4.37Å
96R98.9Very high98.3Very high24 Ų2456.1 Ų56.19%0.09130%0.302CS..  trans-77.6159168.5-54.2176.6-16886.54.1109.9L48 S78 L79 Q80 V81 S98 D118L48-R96 WeakPolarHBondContact CD2-O 3.38Å; S78-R96 PolarHBondContact O-NH1 3.22Å; L79-R96 HydrophobicContact CB-CB 4.33Å; L79-R96 WeakPolarHBondContact O-CG 3.46Å; L79-R96 PolarHBondContact O-N 3.26Å; L79-R96 PolarHBondContact O-NH1 2.97Å; Q80-R96 PolarHBondContact O-NH1 2.68Å; Q80-R96 VanDerWaalsContact O-NH1 3.08Å; V81-R96 HydrophobicContact CG2-CG 3.58Å; R96-S98 WeakPolarHBondContact CB-O 3.29Å; R96-D118 WeakPolarHBondContact CD-OD1 3.49Å; R96-D118 IonicContact CZ-OD1 3.78Å; R96-D118 IonicContact CZ-OD2 2.66Å; R96-D118 IonicContact NE-OD1 3.63Å; R96-D118 PolarHBondContact NE-OD1 3.21Å; R96-D118 IonicContact NE-OD2 2.97Å; R96-D118 PolarHBondContact NE-OD2 2.84Å; R96-D118 IonicContact NH2-OD1 2.9Å; R96-D118 PolarHBondContact NH2-OD1 2.99Å; R96-D118 IonicContact NH2-OD2 3.49Å; R96-D118 PolarHBondContact NH2-OD2 3.03Å
97G98.8Very high98.3Very high4 Ų451.1 Ų51.14%0.04128%0.276CS..SBendtrans-80.6-24.8172.300000114.4T45 R47 L48T45-G97 WeakPolarHBondContact O-CA 3.33Å; R47-G97 PolarHBondContact N-O 3.22Å; L48-G97 PolarHBondContact N-O 2.89Å
98S98.9Very high98.4Very high1 Ų145.1 Ų45.11%0.00726%0.256CS..SBendtrans-163.9-171.3172.779.10000110.7E44 L79 R96 Y100E44-S98 WeakPolarHBondContact O-CB 3.43Å; E44-S98 PolarHBondContact O-OG 3.17Å; E44-S98 VanDerWaalsContact O-OG 3.04Å; E44-S98 WeakPolarHBondContact OE1-CB 3.33Å; E44-S98 PolarHBondContact OE1-OG 3.25Å; L79-S98 VanDerWaalsContact CD2-C 3.47Å; R96-S98 WeakPolarHBondContact CB-O 3.29Å; S98-Y100 VanDerWaalsContact C-N 3.34Å; S98-Y100 PolarHBondContact OG-N 3.03Å
99S98.7Very high98.2Very high64 Ų6448.3 Ų48.345%0.44826%0.26SS..SBendtrans-91.619.8176.260.70000114L101 G102S99-L101 PolarHBondContact O-N 3.03Å; S99-G102 PolarHBondContact O-N 2.88Å
100Y98.6Very high98Very high122 Ų12249.6 Ų49.648%0.47827%0.273SS..THydrogen-bonded Turntrans-57.9-23.2-172.875.7-83.1000115.1T45 S98 G102T45-Y100 HydrophobicContact CG2-CD1 4.12Å; T45-Y100 HydrophobicContact CG2-CD2 4.44Å; T45-Y100 HydrophobicContact CG2-CE1 4.06Å; T45-Y100 HydrophobicContact CG2-CE2 4.38Å; T45-Y100 HydrophobicContact CG2-CG 4.31Å; S98-Y100 VanDerWaalsContact C-N 3.34Å; S98-Y100 PolarHBondContact OG-N 3.03Å; Y100-G102 PolarHBondContact O-N 3.08Å
101L98.4Very high97.8Very high46 Ų4650.5 Ų50.524%0.24128%0.282CS..THydrogen-bonded Turntrans-74.3-7.1176.8-70.6179.8000114S99 I103 D118S99-L101 PolarHBondContact O-N 3.03Å; L101-I103 VanDerWaalsContact C-N 3.28Å; L101-I103 HydrophobicContact CB-CD1 4.28Å; L101-I103 HydrophobicContact CB-CG1 4.28Å; L101-I103 HydrophobicContact CD1-CD1 4.4Å; L101-I103 PolarHBondContact O-N 3.34Å; L101-D118 HydrophobicContact CD1-CB 4.06Å
102G98.3Very high97.5Very high65 Ų6547.6 Ų47.667%0.6727%0.271SS*.  trans73.417.6179.500000114.5S99 Y100S99-G102 PolarHBondContact O-N 2.88Å; Y100-G102 PolarHBondContact O-N 3.08Å
103I98.1Very high97.4Very high33 Ų3349.6 Ų49.617%0.16929%0.289CS..  trans-66.4134.1173.7-67169.6000109.1L101 H115 D118L101-I103 VanDerWaalsContact C-N 3.28Å; L101-I103 HydrophobicContact CB-CD1 4.28Å; L101-I103 HydrophobicContact CB-CG1 4.28Å; L101-I103 HydrophobicContact CD1-CD1 4.4Å; L101-I103 PolarHBondContact O-N 3.34Å; I103-H115 HydrophobicContact CD1-CB 4.33Å; I103-D118 HydrophobicContact CD1-CB 3.68Å; I103-D118 VanDerWaalsContact CD1-OD1 3.31Å; I103-D118 WeakPolarHBondContact CD1-OD1 3.41Å; I103-D118 VanDerWaalsContact CD1-OD2 3.3Å; I103-D118 WeakPolarHBondContact CD1-OD2 3.37Å
104P97.7Very high97.3Very high100 Ų10053.2 Ų53.265%0.64932%0.319SS*.  trans-54.8141.2178.7-26.534.6000112.6N106P104-N106 PolarHBondContact O-N 3.04Å; P104-N106 VanDerWaalsContact O-N 3.12Å
105F98.3Very high97.2Very high137 Ų13756.4 Ų56.460%0.60133%0.334SS*.  trans-60.8115.7178.9-176.7-90.1000110.9S78 P107S78-F105 VanDerWaalsContact CB-CD2 3.46Å; S78-F105 WeakPolarHBondContact OG-CE2 3.49Å; F105-P107 HydrophobicContact CE1-CB 4.08Å; F105-P107 HydrophobicContact CE1-CG 3.91Å; F105-P107 HydrophobicContact CZ-CB 4.24Å
106N97.6Very high97.2Very high36 Ų3660.9 Ų60.919%0.19336%0.363CS..  trans-137102.8176169.119.8000108.7S78 P104 S108 K109 A110S78-N106 VanDerWaalsContact CA-O 3.29Å; S78-N106 WeakPolarHBondContact CA-O 3.26Å; P104-N106 PolarHBondContact O-N 3.04Å; P104-N106 VanDerWaalsContact O-N 3.12Å; N106-S108 PolarHBondContact O-N 3.12Å; N106-S108 PolarHBondContact OD1-N 3.27Å; N106-K109 PolarHBondContact OD1-N 3.41Å; N106-A110 PolarHBondContact ND2-O 3.04Å; N106-A110 PolarHBondContact OD1-N 3.12Å; N106-A110 VanDerWaalsContact OD1-N 3.09Å
107P97.8Very high97.1Very high13 Ų1367.9 Ų67.98%0.08439%0.39CS..  trans-76.652.4-176.634-36.4000112.1E74 F105 K109E74-P107 HydrophobicContact CB-CB 4.24Å; E74-P107 WeakPolarHBondContact O-CB 2.94Å; E74-P107 WeakPolarHBondContact OE2-CB 3.28Å; E74-P107 WeakPolarHBondContact OE2-CG 3.46Å; F105-P107 HydrophobicContact CE1-CB 4.08Å; F105-P107 HydrophobicContact CE1-CG 3.91Å; F105-P107 HydrophobicContact CZ-CB 4.24Å; P107-K109 VanDerWaalsContact C-N 3.33Å; P107-K109 HydrophobicContact CG-CD 3.8Å; P107-K109 HydrophobicContact CG-CG 4.11Å; P107-K109 PolarHBondContact O-N 3.08Å
108S97.8Very high97.1Very high17 Ų1768 Ų6812%0.11939%0.39CS..SBendtrans55.939.4-177.4-60.50000114.5Y77 Q80 N106Y77-S108 PolarHBondContact O-N 3.22Å; Y77-S108 PolarHBondContact O-OG 3.45Å; Q80-S108 WeakPolarHBondContact CB-OG 3.37Å; Q80-S108 PolarHBondContact NE2-OG 2.88Å; N106-S108 PolarHBondContact O-N 3.12Å; N106-S108 PolarHBondContact OD1-N 3.27Å
109K94.3Very high97.1Very high149 Ų14968.8 Ų68.865%0.64840%0.395SS*.SBendtrans-104.4-27.5179.5-67.8177.7-172.6162.10113.1E74 N106 P107E74-K109 VanDerWaalsContact OE2-CE 3.27Å; E74-K109 WeakPolarHBondContact OE2-CE 3.36Å; E74-K109 IonicContact OE2-NZ 3.43Å; E74-K109 PolarHBondContact OE2-NZ 3.06Å; N106-K109 PolarHBondContact OD1-N 3.41Å; P107-K109 VanDerWaalsContact C-N 3.33Å; P107-K109 HydrophobicContact CG-CD 3.8Å; P107-K109 HydrophobicContact CG-CG 4.11Å; P107-K109 PolarHBondContact O-N 3.08Å
110A94.3Very high97.2Very high49 Ų4965.9 Ų65.941%0.40538%0.376SS..SBendtrans-114161.1174.300000111L82 N106L82-A110 WeakPolarHBondContact CD1-O 3.3Å; N106-A110 PolarHBondContact ND2-O 3.04Å; N106-A110 PolarHBondContact OD1-N 3.12Å; N106-A110 VanDerWaalsContact OD1-N 3.09Å
111P93.3Very high97.2Very high70 Ų7062.5 Ų62.546%0.45536%0.364SS..PPolyproline II helixtrans-54162.1172.8-24.534.2000113.4E85 T113E85-P111 HydrophobicContact CG-CB 4.11Å; E85-P111 HydrophobicContact CG-CG 4.37Å; P111-T113 PolarHBondContact O-N 3.1Å
112G93.6Very high97.2Very high17 Ų1760.4 Ų60.418%0.17535%0.353CS..PPolyproline II helixtrans-63.1134.417700000112.1P83P83-G112 PolarHBondContact O-N 3.38Å; P83-G112 VanDerWaalsContact O-N 3.11Å
113T94.8Very high97.2Very high88 Ų8858.1 Ų58.154%0.5433%0.328SS..PPolyproline II helixtrans-83.2125.8171-50.90000109.3P111 H115P111-T113 PolarHBondContact O-N 3.1Å; T113-H115 PolarHBondContact O-N 3.08Å
114A96.8Very high97.3Very high83 Ų8356.9 Ų56.969%0.68632%0.322SS*.PPolyproline II helixtrans-62.7129.8177.700000110.9T84T84-A114 HydrophobicContact CG2-CB 4.03Å
115H98.3Very high97.3Very high66 Ų6652.6 Ų52.631%0.30629%0.294SS..  trans-145.8134174.9178.9-84.7000109.9I103 T113 Y117 D118I103-H115 HydrophobicContact CD1-CB 4.33Å; T113-H115 PolarHBondContact O-N 3.08Å; H115-Y117 VanDerWaalsContact C-N 3.27Å; H115-Y117 PolarHBondContact ND1-N 3.07Å; H115-Y117 PolarHBondContact O-N 2.95Å; H115-Y117 VanDerWaalsContact O-N 3.16Å; H115-D118 HydrophobicContact CB-CB 3.64Å; H115-D118 PolarHBondContact ND1-N 2.89Å; H115-D118 PolarHBondContact O-N 3.27Å
116P97.9Very high97.4Very high94 Ų9446.6 Ų46.661%0.6127%0.267SS*.THydrogen-bonded Turntrans-58.2-34.5-170.8-27.135000114.6R92R92-P116 PolarHBondContact NH1-O 3.3Å; R92-P116 PolarHBondContact NH2-O 2.79Å
117Y98.4Very high97.4Very high172 Ų17245.1 Ų45.168%0.67526%0.259SS*.THydrogen-bonded Turntrans-115.715.3-173.9-57.3-70.1000113.8H115H115-Y117 VanDerWaalsContact C-N 3.27Å; H115-Y117 PolarHBondContact ND1-N 3.07Å; H115-Y117 PolarHBondContact O-N 2.95Å; H115-Y117 VanDerWaalsContact O-N 3.16Å
118D98.8Very high97.5Very high6 Ų644.5 Ų44.53%0.03226%0.255CS..  trans-90.8118.5-180-174.243.9000112.3R92 R96 L101 I103 H115R92-D118 PolarHBondContact NE-O 3.13Å; R92-D118 PolarHBondContact NH2-O 3.46Å; R96-D118 WeakPolarHBondContact CD-OD1 3.49Å; R96-D118 IonicContact CZ-OD1 3.78Å; R96-D118 IonicContact CZ-OD2 2.66Å; R96-D118 IonicContact NE-OD1 3.63Å; R96-D118 PolarHBondContact NE-OD1 3.21Å; R96-D118 IonicContact NE-OD2 2.97Å; R96-D118 PolarHBondContact NE-OD2 2.84Å; R96-D118 IonicContact NH2-OD1 2.9Å; R96-D118 PolarHBondContact NH2-OD1 2.99Å; R96-D118 IonicContact NH2-OD2 3.49Å; R96-D118 PolarHBondContact NH2-OD2 3.03Å; L101-D118 HydrophobicContact CD1-CB 4.06Å; I103-D118 HydrophobicContact CD1-CB 3.68Å; I103-D118 VanDerWaalsContact CD1-OD1 3.31Å; I103-D118 WeakPolarHBondContact CD1-OD1 3.41Å; I103-D118 VanDerWaalsContact CD1-OD2 3.3Å; I103-D118 WeakPolarHBondContact CD1-OD2 3.37Å; H115-D118 HydrophobicContact CB-CB 3.64Å; H115-D118 PolarHBondContact ND1-N 2.89Å; H115-D118 PolarHBondContact O-N 3.27Å
119S98.8Very high97.5Very high17 Ų1743.7 Ų43.712%0.11925%0.249CC..  trans-148.6157.5178.362.60000111.3R92 E166R92-S119 CarbonylContact O-C 3.57Å; R92-S119 WeakPolarHBondContact O-CA 3.36Å; S119-E166 VanDerWaalsContact CB-OE1 3.28Å; S119-E166 WeakPolarHBondContact CB-OE1 3.49Å; S119-E166 VanDerWaalsContact OG-CD 3.25Å; S119-E166 PolarHBondContact OG-OE1 3.49Å; S119-E166 VanDerWaalsContact OG-OE1 3.1Å; S119-E166 PolarHBondContact OG-OE2 2.83Å
120G98.9Very high97.8Very high4 Ų436.6 Ų36.64%0.04122%0.219CC..  trans-74.7154.6169.900000111.4R92 F95R92-G120 PolarHBondContact O-N 3.19Å; F95-G120 WeakPolarHBondContact O-CA 3.42Å
121H98.9Very high98Very high51 Ų5134.2 Ų34.224%0.23620%0.199CC..  trans-115.7131.2172.3179.1-62.9000109.2F95 A123 M124 T125 A163 V164F95-H121 PolarHBondContact O-N 3.41Å; H121-A123 VanDerWaalsContact C-N 3.33Å; H121-A123 PolarHBondContact ND1-N 2.67Å; H121-A123 VanDerWaalsContact ND1-N 3.15Å; H121-A123 PolarHBondContact O-N 3.47Å; H121-M124 HydrophobicContact CB-CB 4.15Å; H121-M124 HydrophobicContact CB-CG 3.71Å; H121-M124 CarbonylContact O-C 3.57Å; H121-M124 WeakPolarHBondContact O-CA 3.27Å; H121-M124 WeakPolarHBondContact O-CB 3.4Å; H121-M124 PolarHBondContact O-N 3.44Å; H121-T125 PolarHBondContact O-N 3.11Å; H121-T125 PolarHBondContact O-OG1 2.95Å; H121-A163 CarbonylContact C-O 3.59Å; H121-A163 WeakPolarHBondContact CA-O 3.27Å; H121-V164 HydrophobicContact CB-CG1 3.92Å
122I98.9Very high98.3Very high1 Ų130.9 Ų30.91%0.00518%0.178CC..Hα-helixtrans-55.3-43.4-170.7-160.6175.8000113.7M124 T125 Y126 L151 L154 F161 A163 F174 C177 A178 I181I122-M124 VanDerWaalsContact C-N 3.26Å; I122-M124 PolarHBondContact O-N 3.39Å; I122-T125 PolarHBondContact O-N 2.69Å; I122-Y126 PolarHBondContact O-N 3.05Å; I122-L151 HydrophobicContact CD1-CD1 3.51Å; I122-L151 HydrophobicContact CG1-CD1 3.63Å; I122-L154 HydrophobicContact CB-CD1 3.76Å; I122-L154 HydrophobicContact CD1-CD1 4.13Å; I122-L154 HydrophobicContact CG1-CD1 4.08Å; I122-F161 HydrophobicContact CD1-CB 3.99Å; I122-F161 HydrophobicContact CD1-CD1 4.13Å; I122-F161 HydrophobicContact CD1-CG 4.24Å; I122-A163 HydrophobicContact CG2-CB 4.34Å; I122-A163 PolarHBondContact N-O 3.29Å; I122-F174 HydrophobicContact CD1-CB 4.22Å; I122-F174 WeakPolarHBondContact CD1-O 3.22Å; I122-F174 HydrophobicContact CG2-CB 4.05Å; I122-F174 HydrophobicContact CG2-CD1 3.32Å; I122-F174 HydrophobicContact CG2-CE1 4Å; I122-F174 HydrophobicContact CG2-CG 3.86Å; I122-C177 HydrophobicContact CD1-CB 4.15Å; I122-C177 HydrophobicContact CG1-CB 3.85Å; I122-C177 HydrophobicContact CG2-CB 4.17Å; I122-A178 HydrophobicContact CD1-CB 4.05Å; I122-I181 HydrophobicContact CG1-CD1 3.88Å
123A98.9Very high98.5Very high17 Ų1730.2 Ų30.214%0.1417%0.17CC..Hα-helixtrans-66.7-29.4177.500000112.4H121 T127H121-A123 VanDerWaalsContact C-N 3.33Å; H121-A123 PolarHBondContact ND1-N 2.67Å; H121-A123 VanDerWaalsContact ND1-N 3.15Å; H121-A123 PolarHBondContact O-N 3.47Å; A123-T127 WeakPolarHBondContact O-CG2 3.34Å; A123-T127 PolarHBondContact O-N 3.23Å; A123-T127 PolarHBondContact O-OG1 3.22Å
124M98.9Very high98.7Very high8 Ų826.4 Ų26.44%0.03915%0.146CC..Hα-helixtrans-79.9-35.8178.3-52.3-54.9143.500110.7L48 F95 H121 I122 Y126 T127 G128L48-M124 HydrophobicContact CB-SD 4.16Å; L48-M124 HydrophobicContact CD2-CB 4.17Å; L48-M124 WeakPolarHBondContact CD2-O 3.44Å; F95-M124 HydrophobicContact CB-CB 4.45Å; F95-M124 WeakPolarHBondContact O-CB 3.4Å; H121-M124 HydrophobicContact CB-CB 4.15Å; H121-M124 HydrophobicContact CB-CG 3.71Å; H121-M124 CarbonylContact O-C 3.57Å; H121-M124 WeakPolarHBondContact O-CA 3.27Å; H121-M124 WeakPolarHBondContact O-CB 3.4Å; H121-M124 PolarHBondContact O-N 3.44Å; I122-M124 VanDerWaalsContact C-N 3.26Å; I122-M124 PolarHBondContact O-N 3.39Å; M124-Y126 VanDerWaalsContact C-N 3.32Å; M124-T127 WeakPolarHBondContact CA-OG1 3.23Å; M124-T127 PolarHBondContact O-N 2.82Å; M124-G128 WeakPolarHBondContact O-CA 3.18Å; M124-G128 PolarHBondContact O-N 3.08Å
125T99Very high98.8Very high9 Ų922.7 Ų22.76%0.05512%0.115CC..Hα-helixtrans-60.8-43.9168.6-55.40000110.6G94 F95 H121 I122 L129 I181G94-T125 WeakPolarHBondContact CA-OG1 3.27Å; F95-T125 HydrophobicContact CD2-CG2 4.24Å; F95-T125 PolarHBondContact N-OG1 3.27Å; H121-T125 PolarHBondContact O-N 3.11Å; H121-T125 PolarHBondContact O-OG1 2.95Å; I122-T125 PolarHBondContact O-N 2.69Å; T125-L129 HydrophobicContact CG2-CD1 4.18Å; T125-L129 WeakPolarHBondContact O-CB 3.45Å; T125-L129 WeakPolarHBondContact O-CG 3.45Å; T125-L129 PolarHBondContact O-N 2.82Å; T125-L129 VanDerWaalsContact O-N 3.15Å; T125-I181 HydrophobicContact CG2-CD1 3.74Å; T125-I181 HydrophobicContact CG2-CG1 4.06Å; T125-I181 HydrophobicContact CG2-CG2 4.32Å
126Y98.9Very high98.8Very high12 Ų1221.5 Ų21.55%0.04712%0.12CC..Hα-helixtrans-59.6-58.3173.1161.9-131.2000111.8I122 M124 G128 L129 S130 Y176 C180 M184 N345I122-Y126 PolarHBondContact O-N 3.05Å; M124-Y126 VanDerWaalsContact C-N 3.32Å; Y126-G128 VanDerWaalsContact C-N 3.33Å; Y126-G128 PolarHBondContact O-N 3.45Å; Y126-L129 PolarHBondContact O-N 3.35Å; Y126-S130 WeakPolarHBondContact O-CB 3.3Å; Y126-S130 PolarHBondContact O-N 2.79Å; Y126-Y176 HydrophobicContact CE1-CE1 4.18Å; Y126-C180 HydrophobicContact CD2-CB 3.35Å; Y126-C180 HydrophobicContact CE2-CB 3.5Å; Y126-C180 HydrophobicContact CG-CB 4.13Å; Y126-M184 HydrophobicContact CD2-CE 3.65Å; Y126-M184 HydrophobicContact CE2-CE 4.19Å; Y126-M184 WeakPolarHBondContact O-CE 3.27Å; Y126-N345 PolarHBondContact OH-ND2 3.26Å
127T98.9Very high98.9Very high4 Ų417.7 Ų17.73%0.02510%0.095CC..Hα-helixtrans-68.1-32.7-174.551.20000112.6T49 F52 A123 M124 S130 C131T49-T127 HydrophobicContact CG2-CG2 4.27Å; F52-T127 HydrophobicContact CB-CG2 3.89Å; F52-T127 HydrophobicContact CD1-CG2 4.01Å; F52-T127 HydrophobicContact CD2-CG2 4.46Å; F52-T127 HydrophobicContact CG-CG2 3.84Å; A123-T127 WeakPolarHBondContact O-CG2 3.34Å; A123-T127 PolarHBondContact O-N 3.23Å; A123-T127 PolarHBondContact O-OG1 3.22Å; M124-T127 WeakPolarHBondContact CA-OG1 3.23Å; M124-T127 PolarHBondContact O-N 2.82Å; T127-S130 PolarHBondContact O-N 3.28Å; T127-C131 WeakPolarHBondContact O-CB 3.43Å; T127-C131 PolarHBondContact O-N 2.83Å; T127-C131 PolarHBondContact O-SG 3.43Å
128G98.9Very high98.9Very high0 Ų012.6 Ų12.60%08%0.079CC..Hα-helixtrans-62.2-52.217400000112.8M124 Y126 S130 C131 L132M124-G128 WeakPolarHBondContact O-CA 3.18Å; M124-G128 PolarHBondContact O-N 3.08Å; Y126-G128 VanDerWaalsContact C-N 3.33Å; Y126-G128 PolarHBondContact O-N 3.45Å; G128-S130 VanDerWaalsContact C-N 3.3Å; G128-S130 PolarHBondContact O-N 2.85Å; G128-C131 PolarHBondContact O-N 3.47Å; G128-L132 WeakPolarHBondContact O-CG 3.12Å; G128-L132 PolarHBondContact O-N 2.8Å
129L98.9Very high98.9Very high0 Ų012.3 Ų12.30%08%0.078CC..Hα-helixtrans-59.6-43.4174.9-68.3175.1000111.3F95 T125 Y126 C131 L132 V133 L139 V142 I181 M184 L185F95-L129 HydrophobicContact CE2-CD2 4.11Å; F95-L129 HydrophobicContact CE2-CG 4.4Å; T125-L129 HydrophobicContact CG2-CD1 4.18Å; T125-L129 WeakPolarHBondContact O-CB 3.45Å; T125-L129 WeakPolarHBondContact O-CG 3.45Å; T125-L129 PolarHBondContact O-N 2.82Å; T125-L129 VanDerWaalsContact O-N 3.15Å; Y126-L129 PolarHBondContact O-N 3.35Å; L129-C131 PolarHBondContact O-N 2.86Å; L129-L132 PolarHBondContact O-N 3.38Å; L129-V133 WeakPolarHBondContact O-CG2 3.46Å; L129-V133 PolarHBondContact O-N 2.85Å; L129-V133 VanDerWaalsContact O-N 3.09Å; L129-L139 HydrophobicContact CD2-CD2 4.35Å; L129-V142 HydrophobicContact CD2-CB 4.36Å; L129-V142 HydrophobicContact CD2-CG1 3.73Å; L129-V142 HydrophobicContact CD2-CG2 3.75Å; L129-I181 HydrophobicContact CD1-CG1 4.36Å; L129-I181 HydrophobicContact CD1-CG2 4.02Å; L129-M184 HydrophobicContact CB-CE 3.58Å; L129-M184 HydrophobicContact CB-SD 4.16Å; L129-M184 HydrophobicContact CD1-CE 4.29Å; L129-L185 HydrophobicContact CD1-CD1 4.24Å; L129-L185 HydrophobicContact CD1-CD2 4.02Å; L129-L185 HydrophobicContact CD1-CG 4.02Å; L129-L185 HydrophobicContact CD2-CD2 4.13Å
130S98.9Very high98.8Very high0 Ų015.4 Ų15.40%010%0.1CC..Hα-helixtrans-60.8-46.4177.8-174.80000111.8F52 Y126 T127 G128 L132 V133 I134 V346F52-S130 VanDerWaalsContact CE2-OG 3.32Å; F52-S130 WeakPolarHBondContact CE2-OG 3.46Å; Y126-S130 WeakPolarHBondContact O-CB 3.3Å; Y126-S130 PolarHBondContact O-N 2.79Å; T127-S130 PolarHBondContact O-N 3.28Å; G128-S130 VanDerWaalsContact C-N 3.3Å; G128-S130 PolarHBondContact O-N 2.85Å; S130-L132 PolarHBondContact O-N 2.94Å; S130-V133 PolarHBondContact O-N 2.6Å; S130-I134 WeakPolarHBondContact O-CD1 3.14Å; S130-I134 VanDerWaalsContact O-CG1 3.25Å; S130-I134 WeakPolarHBondContact O-CG1 3.41Å; S130-I134 PolarHBondContact O-N 3.08Å; S130-V346 WeakPolarHBondContact OG-CG1 3.33Å
131C98.9Very high98.8Very high0 Ų018.8 Ų18.80%011%0.111CC..Hα-helixtrans-60.2-43.7176.7-70.20000112.3F52 L55 I76 T127 G128 L129 V133 I134 L135F52-C131 WeakPolarHBondContact CA-SG 3.49Å; F52-C131 VanDerWaalsContact CB-SG 3.59Å; L55-C131 HydrophobicContact CD1-CB 4Å; I76-C131 HydrophobicContact CD1-CB 3.47Å; I76-C131 VanDerWaalsContact CD1-CB 3.47Å; I76-C131 HydrophobicContact CG1-CB 4.48Å; T127-C131 WeakPolarHBondContact O-CB 3.43Å; T127-C131 PolarHBondContact O-N 2.83Å; T127-C131 PolarHBondContact O-SG 3.43Å; G128-C131 PolarHBondContact O-N 3.47Å; L129-C131 PolarHBondContact O-N 2.86Å; C131-V133 VanDerWaalsContact C-N 3.3Å; C131-V133 PolarHBondContact O-N 2.89Å; C131-I134 PolarHBondContact O-N 3.3Å; C131-L135 WeakPolarHBondContact O-CB 3.43Å; C131-L135 VanDerWaalsContact O-CG 3.25Å; C131-L135 WeakPolarHBondContact O-CG 3.35Å; C131-L135 PolarHBondContact O-N 3.39Å
132L98.9Very high98.8Very high0 Ų016.8 Ų16.80%010%0.102CC..Hα-helixtrans-59.2-42.5177-71.1171000111.4I73 I76 Y77 F95 G128 L129 S130 L135 G136 D137 L139 V142I73-L132 HydrophobicContact CG1-CD2 4.38Å; I73-L132 HydrophobicContact CG2-CD2 4.07Å; I76-L132 HydrophobicContact CB-CD2 4.12Å; I76-L132 HydrophobicContact CB-CG 4.49Å; I76-L132 HydrophobicContact CD1-CD2 4.36Å; I76-L132 HydrophobicContact CG2-CD1 4.13Å; I76-L132 HydrophobicContact CG2-CD2 3.92Å; I76-L132 HydrophobicContact CG2-CG 3.79Å; Y77-L132 HydrophobicContact CD2-CD2 3.85Å; Y77-L132 HydrophobicContact CE1-CD1 3.88Å; Y77-L132 HydrophobicContact CE2-CD1 4.16Å; Y77-L132 HydrophobicContact CE2-CD2 3.44Å; Y77-L132 VanDerWaalsContact CE2-CD2 3.44Å; Y77-L132 HydrophobicContact CE2-CG 4.44Å; F95-L132 HydrophobicContact CE1-CD1 4.37Å; F95-L132 HydrophobicContact CZ-CD1 4.09Å; G128-L132 WeakPolarHBondContact O-CG 3.12Å; G128-L132 PolarHBondContact O-N 2.8Å; L129-L132 PolarHBondContact O-N 3.38Å; S130-L132 PolarHBondContact O-N 2.94Å; L132-L135 PolarHBondContact O-N 3.1Å; L132-G136 PolarHBondContact O-N 3.23Å; L132-D137 HydrophobicContact CB-CB 4.18Å; L132-D137 HydrophobicContact CD2-CB 4.13Å; L132-D137 WeakPolarHBondContact O-CB 3.25Å; L132-D137 PolarHBondContact O-N 3.3Å; L132-L139 HydrophobicContact CB-CD2 3.42Å; L132-L139 VanDerWaalsContact CB-CD2 3.42Å; L132-L139 HydrophobicContact CD1-CD2 3.8Å; L132-L139 HydrophobicContact CG-CD2 4.26Å; L132-V142 HydrophobicContact CD1-CG2 3.94Å
133V98.9Very high98.8Very high3 Ų319.3 Ų19.32%0.01812%0.116CC..Hα-helixtrans-68-40.8176.7-177.10000111.8L129 S130 C131 L135 G136 L139 T350 R353 L354L129-V133 WeakPolarHBondContact O-CG2 3.46Å; L129-V133 PolarHBondContact O-N 2.85Å; L129-V133 VanDerWaalsContact O-N 3.09Å; S130-V133 PolarHBondContact O-N 2.6Å; C131-V133 VanDerWaalsContact C-N 3.3Å; C131-V133 PolarHBondContact O-N 2.89Å; V133-L135 VanDerWaalsContact C-N 3.29Å; V133-L135 PolarHBondContact O-N 3.32Å; V133-G136 PolarHBondContact O-N 3.47Å; V133-L139 HydrophobicContact CG2-CD1 3.82Å; V133-L139 HydrophobicContact CG2-CD2 4.14Å; V133-L139 HydrophobicContact CG2-CG 4.18Å; V133-T350 HydrophobicContact CB-CG2 4.44Å; V133-T350 HydrophobicContact CG1-CG2 3.85Å; V133-R353 VanDerWaalsContact CA-NH1 3.34Å; V133-R353 PolarHBondContact O-NH1 3.45Å; V133-L354 HydrophobicContact CG1-CB 4.1Å; V133-L354 HydrophobicContact CG1-CD1 4.28Å; V133-L354 HydrophobicContact CG2-CD1 4.11Å
134I98.9Very high98.8Very high8 Ų821 Ų214%0.04112%0.12CC..Hα-helixtrans-60-41.8175.3-69.4162.6000110.8F52 L55 D59 L64 S130 C131 G136 V346 T350F52-I134 HydrophobicContact CD2-CD1 4.2Å; F52-I134 HydrophobicContact CE2-CD1 4.16Å; L55-I134 HydrophobicContact CB-CG2 4.45Å; D59-I134 HydrophobicContact CB-CG2 3.82Å; L64-I134 HydrophobicContact CD1-CG2 3.78Å; L64-I134 WeakPolarHBondContact CD1-O 3.45Å; L64-I134 HydrophobicContact CD2-CG2 4.2Å; S130-I134 WeakPolarHBondContact O-CD1 3.14Å; S130-I134 VanDerWaalsContact O-CG1 3.25Å; S130-I134 WeakPolarHBondContact O-CG1 3.41Å; S130-I134 PolarHBondContact O-N 3.08Å; C131-I134 PolarHBondContact O-N 3.3Å; I134-G136 VanDerWaalsContact C-N 3.3Å; I134-G136 PolarHBondContact O-N 2.97Å; I134-V346 HydrophobicContact CD1-CG1 4.26Å; I134-V346 HydrophobicContact CG1-CG1 4.4Å; I134-T350 HydrophobicContact CG1-CG2 3.7Å
135L98.9Very high98.8Very high4 Ų425.2 Ų25.22%0.02114%0.14CC..Hα-helixtrans-77.9-8.5-174.9-73.3173.2000114.7L55 L64 K69 I72 I73 I76 C131 L132 V133L55-L135 HydrophobicContact CD1-CD1 4.02Å; L55-L135 HydrophobicContact CD1-CG 4.35Å; L55-L135 HydrophobicContact CD2-CD2 3.82Å; L55-L135 HydrophobicContact CD2-CG 4.5Å; L64-L135 HydrophobicContact CD2-CD2 4.45Å; K69-L135 HydrophobicContact CB-CD2 4.21Å; K69-L135 WeakPolarHBondContact CD-O 3.35Å; K69-L135 HydrophobicContact CG-CD2 4.09Å; I72-L135 HydrophobicContact CB-CD1 3.98Å; I72-L135 HydrophobicContact CG2-CD1 3.55Å; I73-L135 HydrophobicContact CD1-CB 3.97Å; I73-L135 HydrophobicContact CG1-CB 3.83Å; I73-L135 HydrophobicContact CG1-CD1 3.87Å; I73-L135 HydrophobicContact CG1-CG 4.49Å; I76-L135 HydrophobicContact CD1-CD1 3.65Å; C131-L135 WeakPolarHBondContact O-CB 3.43Å; C131-L135 VanDerWaalsContact O-CG 3.25Å; C131-L135 WeakPolarHBondContact O-CG 3.35Å; C131-L135 PolarHBondContact O-N 3.39Å; L132-L135 PolarHBondContact O-N 3.1Å; V133-L135 VanDerWaalsContact C-N 3.29Å; V133-L135 PolarHBondContact O-N 3.32Å
136G98.7Very high98.8Very high41 Ų4124.9 Ų24.942%0.42314%0.138SC..THydrogen-bonded Turntrans97.96.8179.700000115.1L132 V133 I134 R353L132-G136 PolarHBondContact O-N 3.23Å; V133-G136 PolarHBondContact O-N 3.47Å; I134-G136 VanDerWaalsContact C-N 3.3Å; I134-G136 PolarHBondContact O-N 2.97Å; G136-R353 PolarHBondContact O-NH2 3.45Å
137D98.8Very high98.8Very high15 Ų1524.4 Ų24.48%0.0814%0.136CC..  trans-78.7145.6175.4-173.8-89000111.4I73 Y77 L132 L139 R141 R353I73-D137 HydrophobicContact CD1-CB 4.01Å; I73-D137 HydrophobicContact CG1-CB 4.27Å; I73-D137 HydrophobicContact CG2-CB 4.37Å; Y77-D137 WeakPolarHBondContact CE2-OD2 3.28Å; Y77-D137 PolarHBondContact OH-OD1 2.94Å; L132-D137 HydrophobicContact CB-CB 4.18Å; L132-D137 HydrophobicContact CD2-CB 4.13Å; L132-D137 WeakPolarHBondContact O-CB 3.25Å; L132-D137 PolarHBondContact O-N 3.3Å; D137-L139 WeakPolarHBondContact OD1-CA 3.43Å; D137-L139 PolarHBondContact OD1-N 2.84Å; D137-R141 IonicContact OD2-CZ 3.53Å; D137-R141 IonicContact OD2-NH2 3.74Å; D137-R141 PolarHBondContact OD2-NH2 3.43Å; D137-R353 VanDerWaalsContact O-CZ 3.27Å; D137-R353 PolarHBondContact O-NH1 2.75Å; D137-R353 PolarHBondContact O-NH2 3.35Å
138D98.4Very high98.8Very high64 Ų6424.2 Ų24.234%0.34214%0.135SC..  trans-91.13.1-173.369.4-1.6000114.3S140 L357D138-S140 PolarHBondContact O-N 3.25Å; D138-S140 WeakPolarHBondContact OD1-CB 3.46Å; D138-S140 PolarHBondContact OD1-N 3.09Å; D138-S140 PolarHBondContact OD1-OG 3.42Å; D138-L357 HydrophobicContact CB-CD2 3.85Å
139L98.7Very high98.8Very high0 Ų024.9 Ų24.90%014%0.14CC..SBendtrans62.719.2-176.6-48.5179.5000114L129 L132 V133 D137 R141 V142 W361L129-L139 HydrophobicContact CD2-CD2 4.35Å; L132-L139 HydrophobicContact CB-CD2 3.42Å; L132-L139 VanDerWaalsContact CB-CD2 3.42Å; L132-L139 HydrophobicContact CD1-CD2 3.8Å; L132-L139 HydrophobicContact CG-CD2 4.26Å; V133-L139 HydrophobicContact CG2-CD1 3.82Å; V133-L139 HydrophobicContact CG2-CD2 4.14Å; V133-L139 HydrophobicContact CG2-CG 4.18Å; D137-L139 WeakPolarHBondContact OD1-CA 3.43Å; D137-L139 PolarHBondContact OD1-N 2.84Å; L139-R141 VanDerWaalsContact C-N 3.26Å; L139-R141 PolarHBondContact O-N 2.94Å; L139-V142 HydrophobicContact CB-CB 4.3Å; L139-V142 HydrophobicContact CB-CG2 3.89Å; L139-V142 HydrophobicContact CD2-CG2 3.96Å; L139-V142 HydrophobicContact CG-CG2 4.49Å; L139-V142 WeakPolarHBondContact O-CB 3.28Å; L139-V142 PolarHBondContact O-N 2.88Å; L139-V142 VanDerWaalsContact O-N 3.17Å; L139-W361 HydrophobicContact CB-CZ2 4.24Å; L139-W361 HydrophobicContact CD1-CH2 4.05Å; L139-W361 HydrophobicContact CD1-CZ2 4.22Å
140S98.2Very high98.8Very high83 Ų8325 Ų2558%0.5814%0.142SC*.THydrogen-bonded Turntrans-64.2-28.9179.555.80000113.6D138D138-S140 PolarHBondContact O-N 3.25Å; D138-S140 WeakPolarHBondContact OD1-CB 3.46Å; D138-S140 PolarHBondContact OD1-N 3.09Å; D138-S140 PolarHBondContact OD1-OG 3.42Å
141R98.6Very high98.8Very high74 Ų7425.3 Ų25.328%0.27914%0.144SC..THydrogen-bonded Turntrans-90.2-2.9176.9-66174.5-72.3179.1-10113.5E74 Y77 Q80 D137 L139 N143E74-R141 IonicContact OE1-CZ 3.75Å; E74-R141 IonicContact OE1-NH1 2.72Å; E74-R141 PolarHBondContact OE1-NH1 3.35Å; E74-R141 IonicContact OE1-NH2 3.22Å; Y77-R141 HydrophobicContact CD1-CB 3.97Å; Y77-R141 HydrophobicContact CE1-CB 3.45Å; Y77-R141 VanDerWaalsContact CE1-CB 3.45Å; Y77-R141 HydrophobicContact CE2-CB 4.24Å; Y77-R141 VanDerWaalsContact CE2-NE 3.32Å; Q80-R141 PolarHBondContact NE2-O 2.61Å; D137-R141 IonicContact OD2-CZ 3.53Å; D137-R141 IonicContact OD2-NH2 3.74Å; D137-R141 PolarHBondContact OD2-NH2 3.43Å; L139-R141 VanDerWaalsContact C-N 3.26Å; L139-R141 PolarHBondContact O-N 2.94Å; R141-N143 PolarHBondContact O-N 3.05Å
142V98.8Very high98.8Very high9 Ų930.2 Ų30.26%0.05516%0.162CC..SBendtrans-75.3124.3172.2177.60000108.5Y77 F95 L129 L132 L139 K144 L185Y77-V142 HydrophobicContact CE1-CG2 3.84Å; F95-V142 HydrophobicContact CZ-CG2 4.37Å; L129-V142 HydrophobicContact CD2-CB 4.36Å; L129-V142 HydrophobicContact CD2-CG1 3.73Å; L129-V142 HydrophobicContact CD2-CG2 3.75Å; L132-V142 HydrophobicContact CD1-CG2 3.94Å; L139-V142 HydrophobicContact CB-CB 4.3Å; L139-V142 HydrophobicContact CB-CG2 3.89Å; L139-V142 HydrophobicContact CD2-CG2 3.96Å; L139-V142 HydrophobicContact CG-CG2 4.49Å; L139-V142 WeakPolarHBondContact O-CB 3.28Å; L139-V142 PolarHBondContact O-N 2.88Å; L139-V142 VanDerWaalsContact O-N 3.17Å; V142-K144 VanDerWaalsContact C-N 3.25Å; V142-K144 HydrophobicContact CG1-CG 4.26Å; V142-K144 PolarHBondContact O-N 3.26Å; V142-L185 HydrophobicContact CG1-CD2 4.41Å
143N98.6Very high98.8Very high55 Ų5532.7 Ų32.729%0.29418%0.183SC..  trans-76.583.8168.1-165.2-43.7000109.1L82 P83 R141 E145 A146 C147L82-N143 HydrophobicContact CD2-CB 3.95Å; P83-N143 WeakPolarHBondContact CG-ND2 3.41Å; R141-N143 PolarHBondContact O-N 3.05Å; N143-E145 VanDerWaalsContact C-N 3.33Å; N143-E145 PolarHBondContact O-N 3.12Å; N143-A146 HydrophobicContact CB-CB 3.96Å; N143-A146 PolarHBondContact O-N 3.33Å; N143-A146 WeakPolarHBondContact OD1-CB 3.41Å; N143-A146 PolarHBondContact OD1-N 3.43Å; N143-C147 PolarHBondContact O-N 2.93Å; N143-C147 PolarHBondContact O-SG 3.17Å; N143-C147 VanDerWaalsContact O-SG 3.35Å
144K98.8Very high98.8Very high53 Ų5333 Ų3323%0.2318%0.184CC..Hα-helixtrans-56.3-46.5-173.2-55.9-175.3-174.8176.80111.7V142 A146 C147 L148 L185V142-K144 VanDerWaalsContact C-N 3.25Å; V142-K144 HydrophobicContact CG1-CG 4.26Å; V142-K144 PolarHBondContact O-N 3.26Å; K144-A146 PolarHBondContact O-N 2.73Å; K144-C147 WeakPolarHBondContact O-CB 2.91Å; K144-C147 PolarHBondContact O-N 2.86Å; K144-L148 VanDerWaalsContact O-CG 3.27Å; K144-L148 WeakPolarHBondContact O-CG 3.3Å; K144-L148 PolarHBondContact O-N 3.37Å; K144-L185 HydrophobicContact CD-CD2 4.46Å; K144-L185 HydrophobicContact CG-CD2 4.12Å
145E98.7Very high98.8Very high96 Ų9634.3 Ų34.345%0.44919%0.19SC..Hα-helixtrans-64.3-39.4179.9-69.5-54127.400112.7N143 L148 A149N143-E145 VanDerWaalsContact C-N 3.33Å; N143-E145 PolarHBondContact O-N 3.12Å; E145-L148 PolarHBondContact O-N 3.12Å; E145-A149 WeakPolarHBondContact O-CB 3.15Å; E145-A149 PolarHBondContact O-N 3.2Å
146A98.8Very high98.8Very high1 Ų137 Ų371%0.00821%0.205CC..Hα-helixtrans-67-40.3175.300000111.7P83 I90 C93 N143 K144 L148 A149 G150P83-A146 HydrophobicContact CG-CB 4.28Å; I90-A146 HydrophobicContact CG1-CB 4.4Å; C93-A146 HydrophobicContact CB-CB 3.64Å; C93-A146 WeakPolarHBondContact CB-O 3.29Å; N143-A146 HydrophobicContact CB-CB 3.96Å; N143-A146 PolarHBondContact O-N 3.33Å; N143-A146 WeakPolarHBondContact OD1-CB 3.41Å; N143-A146 PolarHBondContact OD1-N 3.43Å; K144-A146 PolarHBondContact O-N 2.73Å; A146-L148 VanDerWaalsContact C-N 3.35Å; A146-L148 PolarHBondContact O-N 3.43Å; A146-A149 PolarHBondContact O-N 3.28Å; A146-G150 PolarHBondContact O-N 3.27Å
147C98.9Very high98.8Very high2 Ų243.3 Ų43.31%0.01422%0.223CC..Hα-helixtrans-60.8-43.1174-67.20000111.8N143 K144 G150 L151 L185N143-C147 PolarHBondContact O-N 2.93Å; N143-C147 PolarHBondContact O-SG 3.17Å; N143-C147 VanDerWaalsContact O-SG 3.35Å; K144-C147 WeakPolarHBondContact O-CB 2.91Å; K144-C147 PolarHBondContact O-N 2.86Å; C147-G150 PolarHBondContact O-N 3.46Å; C147-L151 WeakPolarHBondContact O-CB 3.45Å; C147-L151 PolarHBondContact O-N 3.23Å; C147-L185 HydrophobicContact CB-CD1 4.09Å
148L98.9Very high98.8Very high1 Ų145.5 Ų45.51%0.00523%0.234CC..Hα-helixtrans-69.2-35.1178.3-65.3168.1000112.2K144 E145 A146 L151 R152 L185 N187K144-L148 VanDerWaalsContact O-CG 3.27Å; K144-L148 WeakPolarHBondContact O-CG 3.3Å; K144-L148 PolarHBondContact O-N 3.37Å; E145-L148 PolarHBondContact O-N 3.12Å; A146-L148 VanDerWaalsContact C-N 3.35Å; A146-L148 PolarHBondContact O-N 3.43Å; L148-L151 PolarHBondContact O-N 3.11Å; L148-R152 WeakPolarHBondContact O-CG 3.42Å; L148-R152 PolarHBondContact O-N 2.74Å; L148-L185 HydrophobicContact CD2-CD1 4.02Å; L148-L185 HydrophobicContact CG-CD1 4.07Å; L148-N187 HydrophobicContact CD1-CB 3.83Å; L148-N187 WeakPolarHBondContact CD1-ND2 3.4Å; L148-N187 WeakPolarHBondContact CD2-O 3.33Å
149A98.9Very high98.8Very high13 Ų1342.4 Ų42.411%0.10722%0.218CC..Hα-helixtrans-66.7-44.5173.900000112.4I90 E145 A146 L151 R152 A153I90-A149 HydrophobicContact CD1-CB 4.11Å; I90-A149 HydrophobicContact CG1-CB 3.74Å; E145-A149 WeakPolarHBondContact O-CB 3.15Å; E145-A149 PolarHBondContact O-N 3.2Å; A146-A149 PolarHBondContact O-N 3.28Å; A149-L151 VanDerWaalsContact C-N 3.32Å; A149-L151 PolarHBondContact O-N 3.45Å; A149-R152 PolarHBondContact O-N 2.93Å; A149-A153 PolarHBondContact O-N 3.21Å
150G98.9Very high98.8Very high4 Ų442.4 Ų42.44%0.04122%0.218CC..Hα-helixtrans-58-45.4170.600000111.3I90 A146 C147 R152 A153 L154I90-G150 PolarHBondContact O-N 2.9Å; A146-G150 PolarHBondContact O-N 3.27Å; C147-G150 PolarHBondContact O-N 3.46Å; G150-R152 PolarHBondContact O-N 3.47Å; G150-A153 WeakPolarHBondContact O-CB 3.4Å; G150-A153 PolarHBondContact O-N 3.06Å; G150-A153 VanDerWaalsContact O-N 3.13Å; G150-L154 WeakPolarHBondContact O-CG 3.37Å; G150-L154 PolarHBondContact O-N 2.94Å
151L98.9Very high98.8Very high6 Ų638.5 Ų38.53%0.03119%0.19CC..Hα-helixtrans-61-43.4179.3-166.365.3000113I122 C147 L148 A149 A153 L154 F161 A178 I181 G190I122-L151 HydrophobicContact CD1-CD1 3.51Å; I122-L151 HydrophobicContact CG1-CD1 3.63Å; C147-L151 WeakPolarHBondContact O-CB 3.45Å; C147-L151 PolarHBondContact O-N 3.23Å; L148-L151 PolarHBondContact O-N 3.11Å; A149-L151 VanDerWaalsContact C-N 3.32Å; A149-L151 PolarHBondContact O-N 3.45Å; L151-A153 VanDerWaalsContact C-N 3.27Å; L151-A153 PolarHBondContact O-N 3.28Å; L151-L154 WeakPolarHBondContact O-CB 3.37Å; L151-L154 PolarHBondContact O-N 3.04Å; L151-L154 VanDerWaalsContact O-N 3.14Å; L151-F161 HydrophobicContact CD1-CD1 4.48Å; L151-F161 HydrophobicContact CD1-CE1 4.47Å; L151-F161 HydrophobicContact CG-CE1 4.32Å; L151-A178 HydrophobicContact CD1-CB 3.9Å; L151-A178 HydrophobicContact CD2-CB 4.19Å; L151-A178 HydrophobicContact CG-CB 4.31Å; L151-I181 HydrophobicContact CD1-CD1 3.86Å; L151-I181 HydrophobicContact CD2-CB 4.06Å; L151-I181 HydrophobicContact CD2-CG2 3.9Å; L151-G190 CarbonylContact C-O 3.47Å; L151-G190 WeakPolarHBondContact CG-O 3.42Å
152R98.9Very high98.8Very high102 Ų10235.6 Ų35.639%0.38518%0.182SC..Hα-helixtrans-58.8-40.1174.9-78.5-173.4-69.6-87.33.3112L148 A149 G150 L154 Q155 S189 G190L148-R152 WeakPolarHBondContact O-CG 3.42Å; L148-R152 PolarHBondContact O-N 2.74Å; A149-R152 PolarHBondContact O-N 2.93Å; G150-R152 PolarHBondContact O-N 3.47Å; R152-L154 PolarHBondContact O-N 3.35Å; R152-Q155 PolarHBondContact O-N 2.81Å; R152-S189 WeakPolarHBondContact CD-O 3.28Å; R152-S189 VanDerWaalsContact CG-O 3.26Å; R152-S189 WeakPolarHBondContact CG-O 3.35Å; R152-S189 PolarHBondContact NH1-O 3.37Å; R152-S189 PolarHBondContact NH1-OG 3.29Å; R152-G190 PolarHBondContact N-O 3.19Å
153A98.8Very high98.8Very high52 Ų5235.3 Ų35.343%0.4318%0.18SC..Hα-helixtrans-66.5-19.6-179.400000113.2N91 A149 G150 L151N91-A153 HydrophobicContact CB-CB 3.79Å; A149-A153 PolarHBondContact O-N 3.21Å; G150-A153 WeakPolarHBondContact O-CB 3.4Å; G150-A153 PolarHBondContact O-N 3.06Å; G150-A153 VanDerWaalsContact O-N 3.13Å; L151-A153 VanDerWaalsContact C-N 3.27Å; L151-A153 PolarHBondContact O-N 3.28Å
154L98.9Very high98.9Very high11 Ų1134.1 Ų34.16%0.05818%0.175CC..Hα-helixtrans-86.3-15.5178.6-62.2178.9000113.6I122 G150 L151 R152 F161 C162 P165I122-L154 HydrophobicContact CB-CD1 3.76Å; I122-L154 HydrophobicContact CD1-CD1 4.13Å; I122-L154 HydrophobicContact CG1-CD1 4.08Å; G150-L154 WeakPolarHBondContact O-CG 3.37Å; G150-L154 PolarHBondContact O-N 2.94Å; L151-L154 WeakPolarHBondContact O-CB 3.37Å; L151-L154 PolarHBondContact O-N 3.04Å; L151-L154 VanDerWaalsContact O-N 3.14Å; R152-L154 PolarHBondContact O-N 3.35Å; L154-F161 HydrophobicContact CB-CD1 4.1Å; L154-F161 CarbonylContact O-C 3.6Å; L154-F161 VanDerWaalsContact O-CA 3.29Å; L154-F161 WeakPolarHBondContact O-CA 3.18Å; L154-C162 PolarHBondContact O-N 3.06Å; L154-P165 HydrophobicContact CD2-CB 4.36Å
155Q98.9Very high98.8Very high35 Ų3533.7 Ų33.716%0.16418%0.177CC..BIsolated β-bridgetrans-77132-177.8-161175.718.500111.5R152 G159 S160 F161 D192R152-Q155 PolarHBondContact O-N 2.81Å; Q155-G159 PolarHBondContact NE2-O 2.92Å; Q155-S160 CarbonylContact C-O 3.32Å; Q155-S160 WeakPolarHBondContact CA-O 3.19Å; Q155-S160 WeakPolarHBondContact CG-O 3.41Å; Q155-F161 HydrophobicContact CB-CD1 3.85Å; Q155-F161 HydrophobicContact CB-CE1 3.46Å; Q155-F161 VanDerWaalsContact CB-CE1 3.46Å; Q155-F161 HydrophobicContact CB-CE2 4.45Å; Q155-F161 HydrophobicContact CB-CG 4.49Å; Q155-F161 HydrophobicContact CB-CZ 3.78Å; Q155-F161 VanDerWaalsContact CD-CZ 3.48Å; Q155-F161 HydrophobicContact CG-CD1 4.22Å; Q155-F161 HydrophobicContact CG-CD2 4.3Å; Q155-F161 HydrophobicContact CG-CE1 3.75Å; Q155-F161 HydrophobicContact CG-CE2 3.81Å; Q155-F161 HydrophobicContact CG-CG 4.47Å; Q155-F161 HydrophobicContact CG-CZ 3.5Å; Q155-D192 PolarHBondContact NE2-O 3.08Å
156L98.9Very high98.8Very high61 Ų6133.6 Ų33.632%0.31918%0.177SC..  trans-91.8170.7178.4-57.9-174.1000112.4D158 G159 S160 N170L156-D158 VanDerWaalsContact C-N 3.26Å; L156-D158 PolarHBondContact O-N 2.98Å; L156-G159 PolarHBondContact O-N 2.84Å; L156-G159 VanDerWaalsContact O-N 3.07Å; L156-S160 PolarHBondContact N-O 2.97Å; L156-N170 HydrophobicContact CD1-CB 3.5Å; L156-N170 VanDerWaalsContact CD1-CB 3.5Å; L156-N170 VanDerWaalsContact CD1-CG 3.4Å
157E98.8Very high98.8Very high173 Ų17335.9 Ų35.981%0.80820%0.2SC*.THydrogen-bonded Turntrans-58.8-37.4-179.2-171.7179.4-177.100112.9G159E157-G159 PolarHBondContact O-N 3.08Å
158D98.6Very high98.8Very high60 Ų6037.7 Ų37.732%0.32121%0.213SC..THydrogen-bonded Turntrans-75-8.4179.974.6-6000114.1L156 S160 Y199L156-D158 VanDerWaalsContact C-N 3.26Å; L156-D158 PolarHBondContact O-N 2.98Å; D158-S160 WeakPolarHBondContact OD1-CB 3.38Å; D158-S160 PolarHBondContact OD1-N 3.16Å; D158-S160 PolarHBondContact OD1-OG 3.39Å; D158-S160 PolarHBondContact OD2-OG 3.24Å; D158-Y199 HydrophobicContact CB-CD2 4.32Å; D158-Y199 WeakPolarHBondContact O-CB 3.15Å; D158-Y199 VanDerWaalsContact OD2-CE2 3.22Å; D158-Y199 WeakPolarHBondContact OD2-CE2 3.4Å
159G98.9Very high98.8Very high0 Ų042.1 Ų42.10%023%0.234CC..SBendtrans96.8-8179.400000115.9Q155 L156 E157 A196Q155-G159 PolarHBondContact NE2-O 2.92Å; L156-G159 PolarHBondContact O-N 2.84Å; L156-G159 VanDerWaalsContact O-N 3.07Å; E157-G159 PolarHBondContact O-N 3.08Å; G159-A196 WeakPolarHBondContact O-CA 3.36Å
160S98.9Very high98.8Very high0 Ų044.3 Ų44.30%024%0.244CC..  trans-74.4177.2170.266.50000112Q155 L156 D158 N170 Y199Q155-S160 CarbonylContact C-O 3.32Å; Q155-S160 WeakPolarHBondContact CA-O 3.19Å; Q155-S160 WeakPolarHBondContact CG-O 3.41Å; L156-S160 PolarHBondContact N-O 2.97Å; D158-S160 WeakPolarHBondContact OD1-CB 3.38Å; D158-S160 PolarHBondContact OD1-N 3.16Å; D158-S160 PolarHBondContact OD1-OG 3.39Å; D158-S160 PolarHBondContact OD2-OG 3.24Å; S160-N170 PolarHBondContact OG-ND2 3.49Å; S160-Y199 VanDerWaalsContact CB-CE2 3.45Å; S160-Y199 VanDerWaalsContact CB-CZ 3.47Å
161F98.9Very high98.8Very high0 Ų045 Ų450%025%0.246CC..EExtended strand (participates in β ladder)trans-127.3143.5-178.3-68.9-103.5000110.1I122 L151 L154 Q155 N170 F174 V175 A178 M191 A196I122-F161 HydrophobicContact CD1-CB 3.99Å; I122-F161 HydrophobicContact CD1-CD1 4.13Å; I122-F161 HydrophobicContact CD1-CG 4.24Å; L151-F161 HydrophobicContact CD1-CD1 4.48Å; L151-F161 HydrophobicContact CD1-CE1 4.47Å; L151-F161 HydrophobicContact CG-CE1 4.32Å; L154-F161 HydrophobicContact CB-CD1 4.1Å; L154-F161 CarbonylContact O-C 3.6Å; L154-F161 VanDerWaalsContact O-CA 3.29Å; L154-F161 WeakPolarHBondContact O-CA 3.18Å; Q155-F161 HydrophobicContact CB-CD1 3.85Å; Q155-F161 HydrophobicContact CB-CE1 3.46Å; Q155-F161 VanDerWaalsContact CB-CE1 3.46Å; Q155-F161 HydrophobicContact CB-CE2 4.45Å; Q155-F161 HydrophobicContact CB-CG 4.49Å; Q155-F161 HydrophobicContact CB-CZ 3.78Å; Q155-F161 VanDerWaalsContact CD-CZ 3.48Å; Q155-F161 HydrophobicContact CG-CD1 4.22Å; Q155-F161 HydrophobicContact CG-CD2 4.3Å; Q155-F161 HydrophobicContact CG-CE1 3.75Å; Q155-F161 HydrophobicContact CG-CE2 3.81Å; Q155-F161 HydrophobicContact CG-CG 4.47Å; Q155-F161 HydrophobicContact CG-CZ 3.5Å; F161-N170 WeakPolarHBondContact O-CA 3.44Å; F161-N170 WeakPolarHBondContact O-CB 3.4Å; F161-F174 HydrophobicContact CB-CB 3.7Å; F161-F174 WeakPolarHBondContact O-CB 3.09Å; F161-F174 VanDerWaalsContact O-CD2 3.27Å; F161-F174 WeakPolarHBondContact O-CD2 3.27Å; F161-V175 HydrophobicContact CD2-CG2 4.11Å; F161-A178 HydrophobicContact CD1-CB 4Å; F161-A178 HydrophobicContact CD2-CB 4.01Å; F161-A178 HydrophobicContact CE1-CB 3.79Å; F161-A178 HydrophobicContact CE2-CB 3.84Å; F161-A178 HydrophobicContact CG-CB 4.12Å; F161-A178 HydrophobicContact CZ-CB 3.72Å; F161-M191 HydrophobicContact CE1-CB 4.3Å; F161-M191 HydrophobicContact CZ-CB 3.62Å; F161-M191 HydrophobicContact CZ-CE 4.49Å; F161-A196 HydrophobicContact CE2-CB 4.49Å
162C98.9Very high98.8Very high14 Ų1444.7 Ų44.710%0.09525%0.245CC..EExtended strand (participates in β ladder)trans-78.3168158.9-74.10000110.7L154L154-C162 PolarHBondContact O-N 3.06Å
163A98.8Very high98.8Very high2 Ų244.7 Ų44.72%0.01725%0.245CC..SBendtrans-83.5-38.9177.500000113H121 I122 S168 F174H121-A163 CarbonylContact C-O 3.59Å; H121-A163 WeakPolarHBondContact CA-O 3.27Å; I122-A163 HydrophobicContact CG2-CB 4.34Å; I122-A163 PolarHBondContact N-O 3.29Å; A163-S168 WeakPolarHBondContact CB-OG 3.48Å; A163-S168 PolarHBondContact N-OG 3.03Å; A163-F174 HydrophobicContact CB-CD1 4.36Å; A163-F174 HydrophobicContact CB-CD2 4.33Å; A163-F174 HydrophobicContact CB-CE1 3.81Å; A163-F174 HydrophobicContact CB-CE2 3.77Å; A163-F174 HydrophobicContact CB-CZ 3.49Å; A163-F174 VanDerWaalsContact CB-CZ 3.49Å
164V98.9Very high98.8Very high31 Ų3142.5 Ų42.519%0.18823%0.226CC..SBendtrans-137.6151.5-173.7-640000110.3H121 E166 G167H121-V164 HydrophobicContact CB-CG1 3.92Å; V164-E166 WeakPolarHBondContact CB-OE2 3.45Å; V164-E166 HydrophobicContact CG2-CB 4.43Å; V164-E166 PolarHBondContact O-N 3.07Å; V164-G167 PolarHBondContact O-N 2.79Å; V164-G167 VanDerWaalsContact O-N 3.16Å
165P98.6Very high98.8Very high44 Ų4442 Ų4229%0.28622%0.223SC..THydrogen-bonded Turntrans-69.8-18.7-17728.1-35.9000113.5R92 L154 G167R92-P165 HydrophobicContact CB-CG 4.13Å; R92-P165 HydrophobicContact CG-CB 4.31Å; R92-P165 HydrophobicContact CG-CG 3.77Å; L154-P165 HydrophobicContact CD2-CB 4.36Å; P165-G167 PolarHBondContact O-N 3.2Å
166E98.5Very high98.8Very high94 Ų9440.8 Ų40.844%0.43922%0.217SC..THydrogen-bonded Turntrans-70.5-14.2173.8-64.171.2-15300112.9R92 S119 V164R92-E166 IonicContact CZ-OE1 2.93Å; R92-E166 IonicContact NE-OE1 2.97Å; R92-E166 PolarHBondContact NE-OE1 2.69Å; R92-E166 IonicContact NH2-OE1 3.64Å; R92-E166 PolarHBondContact NH2-OE1 3.19Å; S119-E166 VanDerWaalsContact CB-OE1 3.28Å; S119-E166 WeakPolarHBondContact CB-OE1 3.49Å; S119-E166 VanDerWaalsContact OG-CD 3.25Å; S119-E166 PolarHBondContact OG-OE1 3.49Å; S119-E166 VanDerWaalsContact OG-OE1 3.1Å; S119-E166 PolarHBondContact OG-OE2 2.83Å; V164-E166 WeakPolarHBondContact CB-OE2 3.45Å; V164-E166 HydrophobicContact CG2-CB 4.43Å; V164-E166 PolarHBondContact O-N 3.07Å
167G98.1Very high98.8Very high48 Ų4838.3 Ų38.350%0.49521%0.205SC..  trans104.7141.7-17600000112.8V164 P165V164-G167 PolarHBondContact O-N 2.79Å; V164-G167 VanDerWaalsContact O-N 3.16Å; P165-G167 PolarHBondContact O-N 3.2Å
168S98.8Very high98.8Very high40 Ų4030.1 Ų30.128%0.2817%0.166SC..  trans-156.7-17317667.80000109.2A163A163-S168 WeakPolarHBondContact CB-OG 3.48Å; A163-S168 PolarHBondContact N-OG 3.03Å
169E98.8Very high98.8Very high95 Ų9527.2 Ų27.244%0.44415%0.151SC..  trans-63.1159.8160.581.3-73.3-170.100111.7R173 F174E169-R173 VanDerWaalsContact CG-NH2 3.26Å; E169-R173 IonicContact OE1-CZ 2.67Å; E169-R173 IonicContact OE1-NH1 3.42Å; E169-R173 PolarHBondContact OE1-NH1 2.84Å; E169-R173 IonicContact OE1-NH2 3.28Å; E169-R173 PolarHBondContact OE1-NH2 3.38Å; E169-F174 HydrophobicContact CG-CE2 4.12Å; E169-F174 WeakPolarHBondContact O-CE2 3.36Å
170N98.8Very high98.8Very high59 Ų5927.2 Ų27.232%0.31615%0.151SC..EExtended strand (participates in β ladder)trans-132.2126.9177.763.5-70.2000110.7L156 S160 F161L156-N170 HydrophobicContact CD1-CB 3.5Å; L156-N170 VanDerWaalsContact CD1-CB 3.5Å; L156-N170 VanDerWaalsContact CD1-CG 3.4Å; S160-N170 PolarHBondContact OG-ND2 3.49Å; F161-N170 WeakPolarHBondContact O-CA 3.44Å; F161-N170 WeakPolarHBondContact O-CB 3.4Å
171D98.9Very high98.8Very high18 Ų1827.3 Ų27.310%0.09615%0.151CC..EExtended strand (participates in β ladder)trans-161.9-175.3177.663.150.5000113.1R173 F174 V175 Q212D171-R173 VanDerWaalsContact CG-NE 3.33Å; D171-R173 PolarHBondContact O-N 3.49Å; D171-R173 VanDerWaalsContact O-N 3.13Å; D171-R173 WeakPolarHBondContact OD1-CB 3.37Å; D171-R173 WeakPolarHBondContact OD1-CG 3.49Å; D171-R173 IonicContact OD1-CZ 3.11Å; D171-R173 PolarHBondContact OD1-N 3.19Å; D171-R173 IonicContact OD1-NE 2.94Å; D171-R173 PolarHBondContact OD1-NE 3.4Å; D171-R173 IonicContact OD1-NH2 3.93Å; D171-R173 IonicContact OD2-CZ 3.78Å; D171-R173 IonicContact OD2-NE 2.84Å; D171-R173 PolarHBondContact OD2-NE 3.18Å; D171-R173 IonicContact OD2-NH2 2.69Å; D171-R173 PolarHBondContact OD2-NH2 3.35Å; D171-F174 PolarHBondContact O-N 3.37Å; D171-F174 VanDerWaalsContact O-N 3.12Å; D171-V175 PolarHBondContact O-N 2.77Å; D171-Q212 HydrophobicContact CB-CB 4.06Å; D171-Q212 PolarHBondContact OD1-OE1 3Å
172M98.9Very high98.8Very high0 Ų027.3 Ų27.30%015%0.151CC..Hα-helixtrans-57.3-24.7-177.7-155.56263.600114.4F174 V175 Y176 Y199 I200 S203 Q212 S222 C225M172-F174 VanDerWaalsContact C-N 3.28Å; M172-F174 PolarHBondContact O-N 3.44Å; M172-V175 PolarHBondContact O-N 3.27Å; M172-V175 HydrophobicContact SD-CB 4.17Å; M172-V175 HydrophobicContact SD-CG1 4.33Å; M172-V175 HydrophobicContact SD-CG2 4.35Å; M172-Y176 PolarHBondContact O-N 2.54Å; M172-Y176 VanDerWaalsContact O-N 3.14Å; M172-Y199 HydrophobicContact CE-CD1 3.76Å; M172-Y199 HydrophobicContact CE-CE1 3.71Å; M172-Y199 HydrophobicContact SD-CD1 4.28Å; M172-Y199 HydrophobicContact SD-CE1 4.39Å; M172-I200 HydrophobicContact CE-CG1 4.49Å; M172-I200 HydrophobicContact SD-CG1 3.82Å; M172-S203 WeakPolarHBondContact CE-OG 3.38Å; M172-Q212 PolarHBondContact N-O 3.28Å; M172-Q212 VanDerWaalsContact N-O 3.1Å; M172-S222 WeakPolarHBondContact CG-O 3.46Å; M172-C225 HydrophobicContact CB-CB 4.22Å; M172-C225 HydrophobicContact CG-CB 3.56Å; M172-C225 WeakPolarHBondContact O-CB 3.47Å
173R98.9Very high98.8Very high101 Ų10129.2 Ų29.238%0.38116%0.157SC..Hα-helixtrans-59.8-43.1176.6-62.2174.4-70.5152.70.1110.6E169 D171 Y176 C177E169-R173 VanDerWaalsContact CG-NH2 3.26Å; E169-R173 IonicContact OE1-CZ 2.67Å; E169-R173 IonicContact OE1-NH1 3.42Å; E169-R173 PolarHBondContact OE1-NH1 2.84Å; E169-R173 IonicContact OE1-NH2 3.28Å; E169-R173 PolarHBondContact OE1-NH2 3.38Å; D171-R173 VanDerWaalsContact CG-NE 3.33Å; D171-R173 PolarHBondContact O-N 3.49Å; D171-R173 VanDerWaalsContact O-N 3.13Å; D171-R173 WeakPolarHBondContact OD1-CB 3.37Å; D171-R173 WeakPolarHBondContact OD1-CG 3.49Å; D171-R173 IonicContact OD1-CZ 3.11Å; D171-R173 PolarHBondContact OD1-N 3.19Å; D171-R173 IonicContact OD1-NE 2.94Å; D171-R173 PolarHBondContact OD1-NE 3.4Å; D171-R173 IonicContact OD1-NH2 3.93Å; D171-R173 IonicContact OD2-CZ 3.78Å; D171-R173 IonicContact OD2-NE 2.84Å; D171-R173 PolarHBondContact OD2-NE 3.18Å; D171-R173 IonicContact OD2-NH2 2.69Å; D171-R173 PolarHBondContact OD2-NH2 3.35Å; R173-Y176 PolarHBondContact O-N 2.73Å; R173-C177 PolarHBondContact O-N 3.03Å; R173-C177 VanDerWaalsContact O-N 3.1Å; R173-C177 PolarHBondContact O-SG 2.75Å
174F98.9Very high98.8Very high7 Ų729.2 Ų29.23%0.03116%0.157CC..Hα-helixtrans-81.1-26.2-176.1-56-40.9000112.3I122 F161 A163 E169 D171 M172 Y176 C177 A178I122-F174 HydrophobicContact CD1-CB 4.22Å; I122-F174 WeakPolarHBondContact CD1-O 3.22Å; I122-F174 HydrophobicContact CG2-CB 4.05Å; I122-F174 HydrophobicContact CG2-CD1 3.32Å; I122-F174 HydrophobicContact CG2-CE1 4Å; I122-F174 HydrophobicContact CG2-CG 3.86Å; F161-F174 HydrophobicContact CB-CB 3.7Å; F161-F174 WeakPolarHBondContact O-CB 3.09Å; F161-F174 VanDerWaalsContact O-CD2 3.27Å; F161-F174 WeakPolarHBondContact O-CD2 3.27Å; A163-F174 HydrophobicContact CB-CD1 4.36Å; A163-F174 HydrophobicContact CB-CD2 4.33Å; A163-F174 HydrophobicContact CB-CE1 3.81Å; A163-F174 HydrophobicContact CB-CE2 3.77Å; A163-F174 HydrophobicContact CB-CZ 3.49Å; A163-F174 VanDerWaalsContact CB-CZ 3.49Å; E169-F174 HydrophobicContact CG-CE2 4.12Å; E169-F174 WeakPolarHBondContact O-CE2 3.36Å; D171-F174 PolarHBondContact O-N 3.37Å; D171-F174 VanDerWaalsContact O-N 3.12Å; M172-F174 VanDerWaalsContact C-N 3.28Å; M172-F174 PolarHBondContact O-N 3.44Å; F174-Y176 VanDerWaalsContact C-N 3.32Å; F174-Y176 PolarHBondContact O-N 3Å; F174-C177 PolarHBondContact O-N 2.82Å; F174-A178 WeakPolarHBondContact O-CB 3.44Å; F174-A178 PolarHBondContact O-N 3.46Å
175V98.9Very high98.8Very high0 Ų028.1 Ų28.10%015%0.149CC..Hα-helixtrans-59.9-42.9166.5178.90000111.2F161 D171 M172 A178 S179 Y199 I200F161-V175 HydrophobicContact CD2-CG2 4.11Å; D171-V175 PolarHBondContact O-N 2.77Å; M172-V175 PolarHBondContact O-N 3.27Å; M172-V175 HydrophobicContact SD-CB 4.17Å; M172-V175 HydrophobicContact SD-CG1 4.33Å; M172-V175 HydrophobicContact SD-CG2 4.35Å; V175-A178 PolarHBondContact O-N 2.92Å; V175-S179 WeakPolarHBondContact O-CB 3.44Å; V175-S179 PolarHBondContact O-N 3.09Å; V175-S179 PolarHBondContact O-OG 3.49Å; V175-Y199 HydrophobicContact CG2-CD1 3.92Å; V175-Y199 HydrophobicContact CG2-CE1 4.25Å; V175-I200 HydrophobicContact CG1-CD1 3.97Å; V175-I200 HydrophobicContact CG1-CG1 4.07Å
176Y99Very high98.8Very high9 Ų929.3 Ų29.34%0.03515%0.153CC..Hα-helixtrans-66.8-42.9175.9176.5-109.1000112.8Y126 M172 R173 F174 A178 S179 C180 F224 C225 A228 S229 L232 A343 N345Y126-Y176 HydrophobicContact CE1-CE1 4.18Å; M172-Y176 PolarHBondContact O-N 2.54Å; M172-Y176 VanDerWaalsContact O-N 3.14Å; R173-Y176 PolarHBondContact O-N 2.73Å; F174-Y176 VanDerWaalsContact C-N 3.32Å; F174-Y176 PolarHBondContact O-N 3Å; Y176-A178 VanDerWaalsContact C-N 3.33Å; Y176-A178 PolarHBondContact O-N 3.35Å; Y176-S179 PolarHBondContact O-N 3.06Å; Y176-C180 WeakPolarHBondContact CE2-SG 3.23Å; Y176-C180 PolarHBondContact O-N 3Å; Y176-C180 PolarHBondContact O-SG 3.05Å; Y176-C180 VanDerWaalsContact O-SG 3.33Å; Y176-F224 HydrophobicContact CD1-CE1 4.29Å; Y176-F224 HydrophobicContact CD2-CE1 4.26Å; Y176-F224 AromaticContact CE1-CE1 3.82Å; Y176-F224 HydrophobicContact CE1-CE1 3.82Å; Y176-F224 HydrophobicContact CE1-CZ 4.48Å; Y176-F224 AromaticContact CE2-CE1 3.78Å; Y176-F224 HydrophobicContact CE2-CE1 3.78Å; Y176-F224 HydrophobicContact CE2-CZ 4.12Å; Y176-F224 HydrophobicContact CG-CE1 4.49Å; Y176-F224 AromaticContact CZ-CE1 3.53Å; Y176-F224 AromaticContact CZ-CZ 3.84Å; Y176-C225 HydrophobicContact CG-CB 4.36Å; Y176-A228 HydrophobicContact CD2-CB 3.97Å; Y176-A228 HydrophobicContact CE2-CB 3.64Å; Y176-S229 WeakPolarHBondContact CA-OG 3.41Å; Y176-L232 HydrophobicContact CE2-CD1 4.23Å; Y176-A343 VanDerWaalsContact CE2-O 3.3Å; Y176-A343 WeakPolarHBondContact CE2-O 3.45Å; Y176-A343 PolarHBondContact OH-O 3.37Å; Y176-N345 WeakPolarHBondContact OH-CB 3.43Å
177C98.9Very high98.8Very high10 Ų1027.2 Ų27.27%0.06815%0.145CC..Hα-helixtrans-58.4-46.9175-63.50000111I122 R173 F174 S179 C180 I181I122-C177 HydrophobicContact CD1-CB 4.15Å; I122-C177 HydrophobicContact CG1-CB 3.85Å; I122-C177 HydrophobicContact CG2-CB 4.17Å; R173-C177 PolarHBondContact O-N 3.03Å; R173-C177 VanDerWaalsContact O-N 3.1Å; R173-C177 PolarHBondContact O-SG 2.75Å; F174-C177 PolarHBondContact O-N 2.82Å; C177-S179 VanDerWaalsContact C-N 3.32Å; C177-S179 PolarHBondContact O-N 3.03Å; C177-C180 PolarHBondContact O-N 3.24Å; C177-I181 WeakPolarHBondContact O-CD1 3.28Å; C177-I181 VanDerWaalsContact O-CG1 3.27Å; C177-I181 WeakPolarHBondContact O-CG1 3.48Å; C177-I181 PolarHBondContact O-N 3.22Å
178A98.9Very high98.9Very high0 Ų028 Ų280%013%0.133CC..Hα-helixtrans-59-43.4176.800000112.2I122 L151 F161 F174 V175 Y176 C180 I181 C182 M191I122-A178 HydrophobicContact CD1-CB 4.05Å; L151-A178 HydrophobicContact CD1-CB 3.9Å; L151-A178 HydrophobicContact CD2-CB 4.19Å; L151-A178 HydrophobicContact CG-CB 4.31Å; F161-A178 HydrophobicContact CD1-CB 4Å; F161-A178 HydrophobicContact CD2-CB 4.01Å; F161-A178 HydrophobicContact CE1-CB 3.79Å; F161-A178 HydrophobicContact CE2-CB 3.84Å; F161-A178 HydrophobicContact CG-CB 4.12Å; F161-A178 HydrophobicContact CZ-CB 3.72Å; F174-A178 WeakPolarHBondContact O-CB 3.44Å; F174-A178 PolarHBondContact O-N 3.46Å; V175-A178 PolarHBondContact O-N 2.92Å; Y176-A178 VanDerWaalsContact C-N 3.33Å; Y176-A178 PolarHBondContact O-N 3.35Å; A178-C180 PolarHBondContact O-N 3.31Å; A178-I181 PolarHBondContact O-N 3.06Å; A178-C182 PolarHBondContact O-N 3.04Å; A178-M191 HydrophobicContact CB-CE 3.61Å; A178-M191 WeakPolarHBondContact O-CE 3.36Å
179S98.9Very high98.9Very high0 Ų028.6 Ų28.60%014%0.137CC..Hα-helixtrans-62.8-42.5179.1-57.70000111.8V175 Y176 C177 Y183 S229 M233V175-S179 WeakPolarHBondContact O-CB 3.44Å; V175-S179 PolarHBondContact O-N 3.09Å; V175-S179 PolarHBondContact O-OG 3.49Å; Y176-S179 PolarHBondContact O-N 3.06Å; C177-S179 VanDerWaalsContact C-N 3.32Å; C177-S179 PolarHBondContact O-N 3.03Å; S179-Y183 VanDerWaalsContact O-CB 3.23Å; S179-Y183 WeakPolarHBondContact O-CB 3.48Å; S179-Y183 PolarHBondContact O-N 2.95Å; S179-S229 VanDerWaalsContact OG-CB 3.28Å; S179-S229 WeakPolarHBondContact OG-CB 3.49Å; S179-S229 PolarHBondContact OG-OG 3.43Å; S179-M233 WeakPolarHBondContact OG-CE 3.42Å
180C98.9Very high98.9Very high0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-66.2-41.4176.4-66.40000112.2Y126 Y176 C177 A178 Y183 M184Y126-C180 HydrophobicContact CD2-CB 3.35Å; Y126-C180 HydrophobicContact CE2-CB 3.5Å; Y126-C180 HydrophobicContact CG-CB 4.13Å; Y176-C180 WeakPolarHBondContact CE2-SG 3.23Å; Y176-C180 PolarHBondContact O-N 3Å; Y176-C180 PolarHBondContact O-SG 3.05Å; Y176-C180 VanDerWaalsContact O-SG 3.33Å; C177-C180 PolarHBondContact O-N 3.24Å; A178-C180 PolarHBondContact O-N 3.31Å; C180-Y183 PolarHBondContact O-N 3.41Å; C180-M184 HydrophobicContact CB-CE 4.37Å; C180-M184 WeakPolarHBondContact O-CB 3.32Å; C180-M184 WeakPolarHBondContact O-CE 3.39Å; C180-M184 WeakPolarHBondContact O-CG 3.25Å; C180-M184 PolarHBondContact O-N 3.09Å
181I98.9Very high98.9Very high1 Ų121.9 Ų21.91%0.00510%0.104CC..Hα-helixtrans-61.5-52.5177.5-66.4160.8000110.3I122 T125 L129 L151 C177 A178 Y183 M184 L185I122-I181 HydrophobicContact CG1-CD1 3.88Å; T125-I181 HydrophobicContact CG2-CD1 3.74Å; T125-I181 HydrophobicContact CG2-CG1 4.06Å; T125-I181 HydrophobicContact CG2-CG2 4.32Å; L129-I181 HydrophobicContact CD1-CG1 4.36Å; L129-I181 HydrophobicContact CD1-CG2 4.02Å; L151-I181 HydrophobicContact CD1-CD1 3.86Å; L151-I181 HydrophobicContact CD2-CB 4.06Å; L151-I181 HydrophobicContact CD2-CG2 3.9Å; C177-I181 WeakPolarHBondContact O-CD1 3.28Å; C177-I181 VanDerWaalsContact O-CG1 3.27Å; C177-I181 WeakPolarHBondContact O-CG1 3.48Å; C177-I181 PolarHBondContact O-N 3.22Å; A178-I181 PolarHBondContact O-N 3.06Å; I181-Y183 VanDerWaalsContact C-N 3.28Å; I181-Y183 PolarHBondContact O-N 3Å; I181-M184 PolarHBondContact O-N 2.93Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 HydrophobicContact CG2-CG 4.45Å; I181-L185 WeakPolarHBondContact O-CB 3.21Å; I181-L185 WeakPolarHBondContact O-CG 3.48Å; I181-L185 PolarHBondContact O-N 3.32Å
182C98.9Very high98.9Very high0 Ų024.1 Ų24.10%012%0.116CC..Hα-helixtrans-58.1-41.6177.6-74.60000112A178 N186 N187 W188 M191A178-C182 PolarHBondContact O-N 3.04Å; C182-N186 WeakPolarHBondContact O-CA 3.46Å; C182-N186 PolarHBondContact O-N 2.94Å; C182-N187 WeakPolarHBondContact CA-O 3.49Å; C182-N187 WeakPolarHBondContact CB-O 3.25Å; C182-N187 PolarHBondContact O-N 2.89Å; C182-W188 HydrophobicContact CB-CD2 3.77Å; C182-W188 HydrophobicContact CB-CE3 3.48Å; C182-W188 VanDerWaalsContact CB-CE3 3.48Å; C182-W188 HydrophobicContact CB-CG 4.33Å; C182-W188 HydrophobicContact CB-CH2 4.4Å; C182-W188 HydrophobicContact CB-CZ3 3.83Å; C182-M191 HydrophobicContact CB-CE 4.17Å
183Y98.9Very high98.9Very high54 Ų5426.3 Ų26.321%0.21213%0.127CC..Hα-helixtrans-64.6-50.1177.5-172.9-87000112S179 C180 I181 L185 N186 W188 L232 L344 L354 H358S179-Y183 VanDerWaalsContact O-CB 3.23Å; S179-Y183 WeakPolarHBondContact O-CB 3.48Å; S179-Y183 PolarHBondContact O-N 2.95Å; C180-Y183 PolarHBondContact O-N 3.41Å; I181-Y183 VanDerWaalsContact C-N 3.28Å; I181-Y183 PolarHBondContact O-N 3Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; Y183-L185 PolarHBondContact O-N 2.69Å; Y183-N186 WeakPolarHBondContact O-CA 3.21Å; Y183-N186 PolarHBondContact O-N 3.38Å; Y183-W188 HydrophobicContact CD2-CZ2 4.31Å; Y183-L232 HydrophobicContact CD1-CD2 4.03Å; Y183-L232 HydrophobicContact CD2-CB 4.04Å; Y183-L232 HydrophobicContact CD2-CD2 3.69Å; Y183-L232 HydrophobicContact CD2-CG 4.46Å; Y183-L232 HydrophobicContact CE1-CD2 4.28Å; Y183-L232 HydrophobicContact CE2-CD2 3.95Å; Y183-L232 HydrophobicContact CG-CB 4.46Å; Y183-L232 HydrophobicContact CG-CD2 3.73Å; Y183-L344 HydrophobicContact CD1-CD1 3.65Å; Y183-L344 HydrophobicContact CD1-CD2 4.16Å; Y183-L344 HydrophobicContact CE1-CD1 4.16Å; Y183-L344 HydrophobicContact CE1-CD2 3.89Å; Y183-L344 HydrophobicContact CG-CD1 4.44Å; Y183-L354 HydrophobicContact CD1-CD2 4.12Å; Y183-L354 HydrophobicContact CE1-CD2 4Å; Y183-H358 PolarHBondContact O-CE1 3.48Å; Y183-H358 PolarHBondContact O-NE2 3.35Å
184M98.9Very high98.9Very high3 Ų329.4 Ų29.42%0.01514%0.143CC..Hα-helixtrans-64.7-36.3-179.6-71.8-173.9-64.600112.7Y126 L129 C180 I181 N186 L344 L354 H358Y126-M184 HydrophobicContact CD2-CE 3.65Å; Y126-M184 HydrophobicContact CE2-CE 4.19Å; Y126-M184 WeakPolarHBondContact O-CE 3.27Å; L129-M184 HydrophobicContact CB-CE 3.58Å; L129-M184 HydrophobicContact CB-SD 4.16Å; L129-M184 HydrophobicContact CD1-CE 4.29Å; C180-M184 HydrophobicContact CB-CE 4.37Å; C180-M184 WeakPolarHBondContact O-CB 3.32Å; C180-M184 WeakPolarHBondContact O-CE 3.39Å; C180-M184 WeakPolarHBondContact O-CG 3.25Å; C180-M184 PolarHBondContact O-N 3.09Å; I181-M184 PolarHBondContact O-N 2.93Å; M184-N186 PolarHBondContact O-N 3.28Å; M184-L344 HydrophobicContact CG-CD1 4.14Å; M184-L354 HydrophobicContact CB-CD2 4.41Å; M184-L354 HydrophobicContact CG-CD2 3.9Å; M184-H358 PolarHBondContact O-NE2 2.68Å
185L98.8Very high98.9Very high7 Ų733.1 Ų33.14%0.03716%0.159CC..THydrogen-bonded Turntrans-80.6-1.6174.3-61.3-175.6000113.2L129 V142 K144 C147 L148 I181 Y183 N187L129-L185 HydrophobicContact CD1-CD1 4.24Å; L129-L185 HydrophobicContact CD1-CD2 4.02Å; L129-L185 HydrophobicContact CD1-CG 4.02Å; L129-L185 HydrophobicContact CD2-CD2 4.13Å; V142-L185 HydrophobicContact CG1-CD2 4.41Å; K144-L185 HydrophobicContact CD-CD2 4.46Å; K144-L185 HydrophobicContact CG-CD2 4.12Å; C147-L185 HydrophobicContact CB-CD1 4.09Å; L148-L185 HydrophobicContact CD2-CD1 4.02Å; L148-L185 HydrophobicContact CG-CD1 4.07Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 HydrophobicContact CG2-CG 4.45Å; I181-L185 WeakPolarHBondContact O-CB 3.21Å; I181-L185 WeakPolarHBondContact O-CG 3.48Å; I181-L185 PolarHBondContact O-N 3.32Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; Y183-L185 PolarHBondContact O-N 2.69Å; L185-N187 PolarHBondContact O-N 3.27Å
186N98.6Very high98.9Very high69 Ų6933.1 Ų33.137%0.36916%0.159SC..THydrogen-bonded Turntrans48.637.2-175.3-168.940.4000113.1C182 Y183 M184 H358 W361C182-N186 WeakPolarHBondContact O-CA 3.46Å; C182-N186 PolarHBondContact O-N 2.94Å; Y183-N186 WeakPolarHBondContact O-CA 3.21Å; Y183-N186 PolarHBondContact O-N 3.38Å; M184-N186 PolarHBondContact O-N 3.28Å; N186-H358 HydrophobicContact CB-CB 4.47Å; N186-W361 HydrophobicContact CB-CE3 4.44Å; N186-W361 HydrophobicContact CB-CZ3 4.25Å
187N98.6Very high98.9Very high50 Ų5033.8 Ų33.827%0.26716%0.163SC..  trans-149.2111.9-175.7-173.4-21.7000110.1L148 C182 L185 S189L148-N187 HydrophobicContact CD1-CB 3.83Å; L148-N187 WeakPolarHBondContact CD1-ND2 3.4Å; L148-N187 WeakPolarHBondContact CD2-O 3.33Å; C182-N187 WeakPolarHBondContact CA-O 3.49Å; C182-N187 WeakPolarHBondContact CB-O 3.25Å; C182-N187 PolarHBondContact O-N 2.89Å; L185-N187 PolarHBondContact O-N 3.27Å; N187-S189 VanDerWaalsContact C-N 3.34Å; N187-S189 WeakPolarHBondContact OD1-CB 3.2Å; N187-S189 PolarHBondContact OD1-N 2.96Å; N187-S189 PolarHBondContact OD1-OG 3.46Å
188W98.8Very high98.9Very high65 Ų6535.8 Ų35.825%0.24618%0.175CC..G310 helixtrans-883.4-177.9-67.591.6000114.1C182 Y183 G190 M191 M193 L232 M233C182-W188 HydrophobicContact CB-CD2 3.77Å; C182-W188 HydrophobicContact CB-CE3 3.48Å; C182-W188 VanDerWaalsContact CB-CE3 3.48Å; C182-W188 HydrophobicContact CB-CG 4.33Å; C182-W188 HydrophobicContact CB-CH2 4.4Å; C182-W188 HydrophobicContact CB-CZ3 3.83Å; Y183-W188 HydrophobicContact CD2-CZ2 4.31Å; W188-G190 PolarHBondContact O-N 3.33Å; W188-G190 VanDerWaalsContact O-N 3.09Å; W188-M191 HydrophobicContact CE3-CE 4.07Å; W188-M191 HydrophobicContact CE3-CG 4.32Å; W188-M191 HydrophobicContact CE3-SD 3.91Å; W188-M191 HydrophobicContact CZ3-CE 3.87Å; W188-M191 HydrophobicContact CZ3-SD 3.97Å; W188-M191 PolarHBondContact O-N 2.79Å; W188-M193 HydrophobicContact CB-CE 3.95Å; W188-M193 HydrophobicContact CD2-CE 3.38Å; W188-M193 HydrophobicContact CE3-CE 3.36Å; W188-M193 HydrophobicContact CG-CE 3.65Å; W188-M193 HydrophobicContact CZ3-CE 4.04Å; W188-L232 HydrophobicContact CH2-CB 4.23Å; W188-L232 VanDerWaalsContact CZ2-O 3.32Å; W188-L232 WeakPolarHBondContact CZ2-O 3.44Å; W188-M233 HydrophobicContact CE3-CG 4.26Å; W188-M233 HydrophobicContact CH2-CB 4.15Å; W188-M233 HydrophobicContact CH2-CG 3.38Å; W188-M233 HydrophobicContact CZ2-CG 4.2Å; W188-M233 HydrophobicContact CZ3-CE 3.94Å; W188-M233 HydrophobicContact CZ3-CG 3.42Å; W188-M233 VanDerWaalsContact CZ3-CG 3.42Å
189S98.8Very high98.9Very high52 Ų5236.6 Ų36.636%0.36418%0.178SC..G310 helixtrans-64.6-10.317470.10000113.3R152 N187 M191R152-S189 WeakPolarHBondContact CD-O 3.28Å; R152-S189 VanDerWaalsContact CG-O 3.26Å; R152-S189 WeakPolarHBondContact CG-O 3.35Å; R152-S189 PolarHBondContact NH1-O 3.37Å; R152-S189 PolarHBondContact NH1-OG 3.29Å; N187-S189 VanDerWaalsContact C-N 3.34Å; N187-S189 WeakPolarHBondContact OD1-CB 3.2Å; N187-S189 PolarHBondContact OD1-N 2.96Å; N187-S189 PolarHBondContact OD1-OG 3.46Å; S189-M191 PolarHBondContact O-N 3.3Å
190G98.7Very high98.9Very high0 Ų036.6 Ų36.60%018%0.178CC..G310 helixtrans-69.2-7.1174.100000114.5L151 R152 W188L151-G190 CarbonylContact C-O 3.47Å; L151-G190 WeakPolarHBondContact CG-O 3.42Å; R152-G190 PolarHBondContact N-O 3.19Å; W188-G190 PolarHBondContact O-N 3.33Å; W188-G190 VanDerWaalsContact O-N 3.09Å
191M98.9Very high98.9Very high14 Ų1441 Ų417%0.06920%0.195CC..SBendtrans-151.6154.5179.363.217376.800114F161 A178 C182 W188 S189 M193 A196 M233F161-M191 HydrophobicContact CE1-CB 4.3Å; F161-M191 HydrophobicContact CZ-CB 3.62Å; F161-M191 HydrophobicContact CZ-CE 4.49Å; A178-M191 HydrophobicContact CB-CE 3.61Å; A178-M191 WeakPolarHBondContact O-CE 3.36Å; C182-M191 HydrophobicContact CB-CE 4.17Å; W188-M191 HydrophobicContact CE3-CE 4.07Å; W188-M191 HydrophobicContact CE3-CG 4.32Å; W188-M191 HydrophobicContact CE3-SD 3.91Å; W188-M191 HydrophobicContact CZ3-CE 3.87Å; W188-M191 HydrophobicContact CZ3-SD 3.97Å; W188-M191 PolarHBondContact O-N 2.79Å; S189-M191 PolarHBondContact O-N 3.3Å; M191-M193 PolarHBondContact O-N 3.29Å; M191-A196 HydrophobicContact SD-CB 4.32Å; M191-M233 HydrophobicContact CE-CE 4.4Å; M191-M233 HydrophobicContact SD-CE 3.72Å
192D98.9Very high98.9Very high65 Ų6548.7 Ų48.735%0.34822%0.224SC..  trans-75.395.9153.9-175.7-27000108.9Q155 K194 K195 A196Q155-D192 PolarHBondContact NE2-O 3.08Å; D192-K194 VanDerWaalsContact C-N 3.26Å; D192-K194 PolarHBondContact O-N 3Å; D192-K194 WeakPolarHBondContact OD1-CB 3.11Å; D192-K194 PolarHBondContact OD1-N 3.32Å; D192-K195 HydrophobicContact CB-CB 4.2Å; D192-K195 HydrophobicContact CB-CD 4.22Å; D192-K195 HydrophobicContact CB-CG 4.32Å; D192-K195 PolarHBondContact O-N 2.72Å; D192-K195 PolarHBondContact OD1-N 2.66Å; D192-K195 VanDerWaalsContact OD2-CD 3.29Å; D192-K195 WeakPolarHBondContact OD2-CD 3.46Å; D192-K195 WeakPolarHBondContact OD2-CE 3.36Å; D192-K195 VanDerWaalsContact OD2-CG 3.32Å; D192-K195 WeakPolarHBondContact OD2-CG 3.42Å; D192-A196 PolarHBondContact O-N 3.49Å; D192-A196 VanDerWaalsContact O-N 3.1Å
193M98.9Very high98.8Very high46 Ų4648.7 Ų48.723%0.22722%0.224CC..Hα-helixtrans-61.1-34.3-179.3-174.4-175.8-70.300112.4W188 M191 A196 I197 M233 K235W188-M193 HydrophobicContact CB-CE 3.95Å; W188-M193 HydrophobicContact CD2-CE 3.38Å; W188-M193 HydrophobicContact CE3-CE 3.36Å; W188-M193 HydrophobicContact CG-CE 3.65Å; W188-M193 HydrophobicContact CZ3-CE 4.04Å; M191-M193 PolarHBondContact O-N 3.29Å; M193-A196 PolarHBondContact O-N 2.9Å; M193-I197 HydrophobicContact CG-CD1 3.89Å; M193-I197 HydrophobicContact CG-CG1 4.38Å; M193-I197 WeakPolarHBondContact O-CB 3.46Å; M193-I197 VanDerWaalsContact O-CG1 3.29Å; M193-I197 WeakPolarHBondContact O-CG1 3.41Å; M193-I197 PolarHBondContact O-N 3.43Å; M193-I197 HydrophobicContact SD-CD1 4.43Å; M193-M233 HydrophobicContact CE-CB 4.35Å; M193-M233 HydrophobicContact CE-CG 4.08Å; M193-M233 HydrophobicContact CG-CE 4.43Å; M193-M233 HydrophobicContact CG-CG 4.35Å; M193-M233 HydrophobicContact CG-SD 3.87Å; M193-M233 HydrophobicContact SD-CB 4.29Å; M193-M233 HydrophobicContact SD-CG 4.27Å; M193-M233 HydrophobicContact SD-SD 4.45Å; M193-K235 HydrophobicContact SD-CG 4.47Å
194K98.9Very high98.8Very high165 Ų16548.4 Ų48.472%0.71723%0.226SC*.Hα-helixtrans-67.9-41.7-178-176.5-179.8178.7-179.20110.8D192 T198D192-K194 VanDerWaalsContact C-N 3.26Å; D192-K194 PolarHBondContact O-N 3Å; D192-K194 WeakPolarHBondContact OD1-CB 3.11Å; D192-K194 PolarHBondContact OD1-N 3.32Å; K194-T198 PolarHBondContact O-N 2.83Å; K194-T198 PolarHBondContact O-OG1 2.92Å
195K98.9Very high98.8Very high85 Ų8549.2 Ų49.237%0.3723%0.232SC..Hα-helixtrans-65.4-44.8173.3-72.5-176.5-179.2-168.50111.6D192 I197 T198 Y199D192-K195 HydrophobicContact CB-CB 4.2Å; D192-K195 HydrophobicContact CB-CD 4.22Å; D192-K195 HydrophobicContact CB-CG 4.32Å; D192-K195 PolarHBondContact O-N 2.72Å; D192-K195 PolarHBondContact OD1-N 2.66Å; D192-K195 VanDerWaalsContact OD2-CD 3.29Å; D192-K195 WeakPolarHBondContact OD2-CD 3.46Å; D192-K195 WeakPolarHBondContact OD2-CE 3.36Å; D192-K195 VanDerWaalsContact OD2-CG 3.32Å; D192-K195 WeakPolarHBondContact OD2-CG 3.42Å; K195-I197 VanDerWaalsContact C-N 3.34Å; K195-I197 PolarHBondContact O-N 2.68Å; K195-T198 WeakPolarHBondContact O-CA 3.32Å; K195-T198 WeakPolarHBondContact O-CB 3.48Å; K195-T198 PolarHBondContact O-N 3.34Å; K195-Y199 PolarHBondContact O-N 3.42Å
196A98.9Very high98.8Very high0 Ų059 Ų590%027%0.269CS..Hα-helixtrans-57.7-45.5176.400000112.1G159 F161 M191 D192 M193 T198 Y199 I200 M233G159-A196 WeakPolarHBondContact O-CA 3.36Å; F161-A196 HydrophobicContact CE2-CB 4.49Å; M191-A196 HydrophobicContact SD-CB 4.32Å; D192-A196 PolarHBondContact O-N 3.49Å; D192-A196 VanDerWaalsContact O-N 3.1Å; M193-A196 PolarHBondContact O-N 2.9Å; A196-T198 VanDerWaalsContact C-N 3.3Å; A196-T198 PolarHBondContact O-N 2.97Å; A196-Y199 WeakPolarHBondContact O-CB 3.4Å; A196-Y199 PolarHBondContact O-N 2.86Å; A196-I200 WeakPolarHBondContact O-CG1 3.35Å; A196-I200 PolarHBondContact O-N 3.13Å; A196-M233 HydrophobicContact CB-CE 4.3Å
197I98.9Very high98.8Very high23 Ų2357.5 Ų57.512%0.11826%0.262CS..Hα-helixtrans-59.7-41173.8-73.4169.8000111.4M193 K195 I200 R201 L230 M233 K235 V239M193-I197 HydrophobicContact CG-CD1 3.89Å; M193-I197 HydrophobicContact CG-CG1 4.38Å; M193-I197 WeakPolarHBondContact O-CB 3.46Å; M193-I197 VanDerWaalsContact O-CG1 3.29Å; M193-I197 WeakPolarHBondContact O-CG1 3.41Å; M193-I197 PolarHBondContact O-N 3.43Å; M193-I197 HydrophobicContact SD-CD1 4.43Å; K195-I197 VanDerWaalsContact C-N 3.34Å; K195-I197 PolarHBondContact O-N 2.68Å; I197-I200 PolarHBondContact O-N 3.2Å; I197-R201 PolarHBondContact O-N 3.34Å; I197-L230 HydrophobicContact CG1-CD2 3.95Å; I197-M233 HydrophobicContact CD1-SD 4.41Å; I197-M233 HydrophobicContact CG1-SD 4.01Å; I197-K235 HydrophobicContact CD1-CB 4.24Å; I197-K235 HydrophobicContact CD1-CG 4.14Å; I197-V239 HydrophobicContact CB-CG2 4.49Å; I197-V239 HydrophobicContact CD1-CG2 4.17Å; I197-V239 HydrophobicContact CG1-CG2 4.26Å; I197-V239 HydrophobicContact CG2-CB 4.44Å; I197-V239 HydrophobicContact CG2-CG1 4.05Å; I197-V239 HydrophobicContact CG2-CG2 3.45Å; I197-V239 VanDerWaalsContact CG2-CG2 3.45Å
198T98.9Very high98.9Very high52 Ų5257 Ų5732%0.31926%0.259SS..Hα-helixtrans-62.4-43.1177.3-59.50000111.2K194 K195 A196 R201 R202K194-T198 PolarHBondContact O-N 2.83Å; K194-T198 PolarHBondContact O-OG1 2.92Å; K195-T198 WeakPolarHBondContact O-CA 3.32Å; K195-T198 WeakPolarHBondContact O-CB 3.48Å; K195-T198 PolarHBondContact O-N 3.34Å; A196-T198 VanDerWaalsContact C-N 3.3Å; A196-T198 PolarHBondContact O-N 2.97Å; T198-R201 PolarHBondContact O-N 3.27Å; T198-R202 HydrophobicContact CG2-CG 4.5Å; T198-R202 WeakPolarHBondContact O-CB 3.34Å; T198-R202 VanDerWaalsContact O-CG 3.31Å; T198-R202 WeakPolarHBondContact O-CG 3.34Å; T198-R202 PolarHBondContact O-N 2.86Å
199Y98.9Very high98.9Very high17 Ų1754 Ų547%0.06725%0.247CC..Hα-helixtrans-60-47.6174.1-170.5-96.8000111.8D158 S160 M172 V175 K195 A196 R201 R202 S203 Q212 G213D158-Y199 HydrophobicContact CB-CD2 4.32Å; D158-Y199 WeakPolarHBondContact O-CB 3.15Å; D158-Y199 VanDerWaalsContact OD2-CE2 3.22Å; D158-Y199 WeakPolarHBondContact OD2-CE2 3.4Å; S160-Y199 VanDerWaalsContact CB-CE2 3.45Å; S160-Y199 VanDerWaalsContact CB-CZ 3.47Å; M172-Y199 HydrophobicContact CE-CD1 3.76Å; M172-Y199 HydrophobicContact CE-CE1 3.71Å; M172-Y199 HydrophobicContact SD-CD1 4.28Å; M172-Y199 HydrophobicContact SD-CE1 4.39Å; V175-Y199 HydrophobicContact CG2-CD1 3.92Å; V175-Y199 HydrophobicContact CG2-CE1 4.25Å; K195-Y199 PolarHBondContact O-N 3.42Å; A196-Y199 WeakPolarHBondContact O-CB 3.4Å; A196-Y199 PolarHBondContact O-N 2.86Å; Y199-R201 PolarHBondContact O-N 3.05Å; Y199-R202 PolarHBondContact O-N 3.32Å; Y199-S203 PolarHBondContact O-N 2.88Å; Y199-S203 VanDerWaalsContact O-N 3.07Å; Y199-Q212 PolarHBondContact OH-O 3.38Å; Y199-G213 WeakPolarHBondContact OH-CA 3.36Å
200I98.9Very high98.9Very high0 Ų051.5 Ų51.50%023%0.23CC..Hα-helixtrans-57-49.3176.8-65.5166.4000110.7M172 V175 A196 I197 R202 S203 L210 L230 F240M172-I200 HydrophobicContact CE-CG1 4.49Å; M172-I200 HydrophobicContact SD-CG1 3.82Å; V175-I200 HydrophobicContact CG1-CD1 3.97Å; V175-I200 HydrophobicContact CG1-CG1 4.07Å; A196-I200 WeakPolarHBondContact O-CG1 3.35Å; A196-I200 PolarHBondContact O-N 3.13Å; I197-I200 PolarHBondContact O-N 3.2Å; I200-R202 PolarHBondContact O-N 3.01Å; I200-S203 WeakPolarHBondContact O-CB 3.48Å; I200-S203 PolarHBondContact O-N 3.21Å; I200-S203 PolarHBondContact O-OG 3.3Å; I200-L210 HydrophobicContact CG2-CD2 3.81Å; I200-L230 HydrophobicContact CD1-CD2 3.88Å; I200-L230 HydrophobicContact CD1-CG 4.06Å; I200-L230 HydrophobicContact CG2-CD1 3.85Å; I200-L230 HydrophobicContact CG2-CD2 4.45Å; I200-L230 HydrophobicContact CG2-CG 4.08Å; I200-F240 HydrophobicContact CG2-CE2 4.44Å; I200-F240 HydrophobicContact CG2-CZ 4.49Å
201R98.9Very high98.9Very high94 Ų9451.5 Ų51.536%0.35523%0.23SC..Hα-helixtrans-60.2-44.7178.2-76.2-168.362.267.64.7112.4I197 T198 Y199 S203 M204 V239 F240 E244I197-R201 PolarHBondContact O-N 3.34Å; T198-R201 PolarHBondContact O-N 3.27Å; Y199-R201 PolarHBondContact O-N 3.05Å; R201-S203 PolarHBondContact O-N 2.87Å; R201-M204 PolarHBondContact O-N 3.43Å; R201-V239 HydrophobicContact CG-CG1 3.47Å; R201-V239 VanDerWaalsContact CG-CG1 3.47Å; R201-V239 PolarHBondContact NH1-O 2.82Å; R201-F240 HydrophobicContact CG-CE1 4.4Å; R201-E244 IonicContact CZ-OE1 3.16Å; R201-E244 IonicContact NH1-OE1 2.64Å; R201-E244 PolarHBondContact NH1-OE1 3.44Å; R201-E244 IonicContact NH1-OE2 3.45Å; R201-E244 IonicContact NH2-OE1 2.68Å; R201-E244 PolarHBondContact NH2-OE1 2.9Å
202R98.9Very high98.9Very high161 Ų16153.2 Ų53.261%0.60824%0.238SC*.Hα-helixtrans-66.1-21.4-179.6-74177.8175.2-175.4-0.8113.3T198 Y199 I200 M204 A214T198-R202 HydrophobicContact CG2-CG 4.5Å; T198-R202 WeakPolarHBondContact O-CB 3.34Å; T198-R202 VanDerWaalsContact O-CG 3.31Å; T198-R202 WeakPolarHBondContact O-CG 3.34Å; T198-R202 PolarHBondContact O-N 2.86Å; Y199-R202 PolarHBondContact O-N 3.32Å; I200-R202 PolarHBondContact O-N 3.01Å; R202-M204 VanDerWaalsContact C-N 3.31Å; R202-A214 HydrophobicContact CB-CB 4.18Å; R202-A214 WeakPolarHBondContact O-CA 3.38Å; R202-A214 WeakPolarHBondContact O-CB 3.41Å
203S98.9Very high98.9Very high1 Ų150.3 Ų50.31%0.00722%0.224CC..THydrogen-bonded Turntrans-77.5-12.5177.678.70000114.5M172 Y199 I200 R201 S205 A211M172-S203 WeakPolarHBondContact CE-OG 3.38Å; Y199-S203 PolarHBondContact O-N 2.88Å; Y199-S203 VanDerWaalsContact O-N 3.07Å; I200-S203 WeakPolarHBondContact O-CB 3.48Å; I200-S203 PolarHBondContact O-N 3.21Å; I200-S203 PolarHBondContact O-OG 3.3Å; R201-S203 PolarHBondContact O-N 2.87Å; S203-S205 PolarHBondContact O-N 3.32Å; S203-A211 WeakPolarHBondContact CB-O 3.46Å; S203-A211 PolarHBondContact O-N 3.4Å
204M98.9Very high98.8Very high48 Ų4851.3 Ų51.324%0.23624%0.239CC..BIsolated β-bridgetrans-65.6119.8176.5-172.6172.366.300109.4R201 R202 L210 F240 E244 I248R201-M204 PolarHBondContact O-N 3.43Å; R202-M204 VanDerWaalsContact C-N 3.31Å; M204-L210 HydrophobicContact CB-CD1 4.24Å; M204-L210 HydrophobicContact CG-CD1 4.27Å; M204-F240 HydrophobicContact CE-CE1 4.38Å; M204-F240 HydrophobicContact SD-CD1 4.43Å; M204-F240 HydrophobicContact SD-CE1 3.91Å; M204-E244 HydrophobicContact CE-CG 4.22Å; M204-I248 HydrophobicContact SD-CD1 4.24Å; M204-I248 HydrophobicContact SD-CG1 4.29Å
205S98.8Very high98.8Very high20 Ų2047.4 Ų47.414%0.1425%0.245CC..  trans-83.5173.1-178.3-164.50000111.7S203 D207 N208 G209S203-S205 PolarHBondContact O-N 3.32Å; S205-D207 PolarHBondContact O-N 2.93Å; S205-N208 WeakPolarHBondContact O-CA 3.45Å; S205-N208 PolarHBondContact O-N 3.22Å; S205-G209 PolarHBondContact N-O 3.3Å
206Y98.8Very high98.8Very high211 Ų21148 Ų4883%0.82725%0.252SS*.THydrogen-bonded Turntrans-63.5-26.8178.670.3-92.3000112.8
207D98.8Very high98.8Very high39 Ų3952.8 Ų52.821%0.20928%0.275CS..THydrogen-bonded Turntrans-84.40.2176.378.6-15.3000113.1S205 G209 S218 W251S205-D207 PolarHBondContact O-N 2.93Å; D207-G209 VanDerWaalsContact C-N 3.33Å; D207-G209 PolarHBondContact O-N 2.9Å; D207-G209 PolarHBondContact OD1-N 3.37Å; D207-S218 VanDerWaalsContact OD1-CB 3.28Å; D207-S218 WeakPolarHBondContact OD1-CB 3.24Å; D207-S218 PolarHBondContact OD1-OG 3.44Å; D207-S218 PolarHBondContact OD2-OG 3.16Å; D207-W251 VanDerWaalsContact CG-NE1 3.33Å; D207-W251 VanDerWaalsContact O-CD1 3.23Å; D207-W251 PolarHBondContact OD2-NE1 2.97Å
208N98.8Very high98.8Very high40 Ų4051.8 Ų51.821%0.21427%0.269CS..SBendtrans74.96.2174.7-39.9-87.4000116.2S205 R247 I248S205-N208 WeakPolarHBondContact O-CA 3.45Å; S205-N208 PolarHBondContact O-N 3.22Å; N208-R247 HydrophobicContact CB-CB 3.62Å; N208-R247 WeakPolarHBondContact OD1-CD 3.32Å; N208-I248 WeakPolarHBondContact O-CG1 3.5Å
209G98.8Very high98.8Very high0 Ų050.9 Ų50.90%026%0.262CS..SBendtrans-7916616000000110.8S205 D207 S218 W251S205-G209 PolarHBondContact N-O 3.3Å; D207-G209 VanDerWaalsContact C-N 3.33Å; D207-G209 PolarHBondContact O-N 2.9Å; D207-G209 PolarHBondContact OD1-N 3.37Å; G209-S218 VanDerWaalsContact CA-CB 3.48Å; G209-S218 WeakPolarHBondContact O-CB 3.17Å; G209-W251 VanDerWaalsContact CA-CD2 3.47Å
210L98.9Very high98.8Very high0 Ų050.1 Ų50.10%026%0.259CS..BIsolated β-bridgetrans-98.3133.1173.4-86.966.6000109.7I200 M204 H219 S222 T223 F240 I248I200-L210 HydrophobicContact CG2-CD2 3.81Å; M204-L210 HydrophobicContact CB-CD1 4.24Å; M204-L210 HydrophobicContact CG-CD1 4.27Å; L210-H219 PolarHBondContact O-N 3.46Å; L210-S222 PolarHBondContact O-OG 3.24Å; L210-T223 HydrophobicContact CB-CG2 4.39Å; L210-T223 PolarHBondContact N-OG1 3.41Å; L210-T223 PolarHBondContact O-OG1 3.21Å; L210-T223 VanDerWaalsContact O-OG1 3.08Å; L210-F240 HydrophobicContact CD1-CZ 4.28Å; L210-F240 HydrophobicContact CD2-CZ 4.45Å; L210-I248 HydrophobicContact CD1-CD1 4.13Å; L210-I248 HydrophobicContact CD1-CG1 4.27Å
211A98.9Very high98.8Very high0 Ų050.6 Ų50.60%026%0.264CS..BIsolated β-bridgetrans-95.4176.5179.600000112S203 G213 L216 E217 S222S203-A211 WeakPolarHBondContact CB-O 3.46Å; S203-A211 PolarHBondContact O-N 3.4Å; A211-G213 WeakPolarHBondContact CB-O 3.33Å; A211-G213 PolarHBondContact O-N 2.89Å; A211-L216 HydrophobicContact CB-CB 3.89Å; A211-L216 WeakPolarHBondContact CB-O 3.28Å; A211-E217 VanDerWaalsContact CB-O 3.23Å; A211-E217 WeakPolarHBondContact CB-O 3.36Å; A211-S222 VanDerWaalsContact C-CB 3.41Å; A211-S222 VanDerWaalsContact C-OG 3.27Å; A211-S222 WeakPolarHBondContact CA-OG 3.35Å; A211-S222 VanDerWaalsContact O-CB 3.3Å; A211-S222 WeakPolarHBondContact O-CB 3.3Å
212Q98.8Very high98.8Very high50 Ų5046.1 Ų46.123%0.23425%0.247CC..SBendtrans-62.9-29.1176.2-71-63.80.700112.9D171 M172 Y199 L216D171-Q212 HydrophobicContact CB-CB 4.06Å; D171-Q212 PolarHBondContact OD1-OE1 3Å; M172-Q212 PolarHBondContact N-O 3.28Å; M172-Q212 VanDerWaalsContact N-O 3.1Å; Y199-Q212 PolarHBondContact OH-O 3.38Å; Q212-L216 HydrophobicContact CB-CD1 3.95Å
213G98.4Very high98.8Very high5 Ų538.5 Ų38.55%0.05222%0.218CC..SBendtrans-166.5176.1177.900000110Y199 A211 G215 L216Y199-G213 WeakPolarHBondContact OH-CA 3.36Å; A211-G213 WeakPolarHBondContact CB-O 3.33Å; A211-G213 PolarHBondContact O-N 2.89Å; G213-G215 PolarHBondContact O-N 3.41Å; G213-L216 PolarHBondContact O-N 2.68Å
214A98.7Very high98.8Very high66 Ų6638.5 Ų38.555%0.54522%0.218SC..THydrogen-bonded Turntrans-58.6134.3-176.100000112.4R202 L216R202-A214 HydrophobicContact CB-CB 4.18Å; R202-A214 WeakPolarHBondContact O-CA 3.38Å; R202-A214 WeakPolarHBondContact O-CB 3.41Å; A214-L216 VanDerWaalsContact C-N 3.25Å; A214-L216 PolarHBondContact O-N 3.28Å
215G98.3Very high98.8Very high83 Ų8336.5 Ų36.586%0.85621%0.209SC*.THydrogen-bonded Turntrans79.3-5.9177.600000115.8G213G213-G215 PolarHBondContact O-N 3.41Å
216L98.8Very high98.8Very high97 Ų9735.5 Ų35.551%0.50820%0.202SC..SBendtrans-82.1166.2176.5-62.1179.3000112A211 Q212 G213 A214 S218A211-L216 HydrophobicContact CB-CB 3.89Å; A211-L216 WeakPolarHBondContact CB-O 3.28Å; Q212-L216 HydrophobicContact CB-CD1 3.95Å; G213-L216 PolarHBondContact O-N 2.68Å; A214-L216 VanDerWaalsContact C-N 3.25Å; A214-L216 PolarHBondContact O-N 3.28Å; L216-S218 PolarHBondContact O-N 2.82Å
217E98.9Very high98.8Very high102 Ų10225.5 Ų25.548%0.47716%0.163SC..PPolyproline II helixtrans-64.6131.9174.3-170.4-172.8-168.800110.5A211 R263A211-E217 VanDerWaalsContact CB-O 3.23Å; A211-E217 WeakPolarHBondContact CB-O 3.36Å; E217-R263 WeakPolarHBondContact OE1-CD 3.42Å; E217-R263 WeakPolarHBondContact OE2-CD 3.34Å; E217-R263 IonicContact OE2-CZ 2.95Å; E217-R263 IonicContact OE2-NE 3.71Å; E217-R263 IonicContact OE2-NH1 3.33Å; E217-R263 PolarHBondContact OE2-NH1 2.96Å
218S98.9Very high98.8Very high1 Ų123.6 Ų23.61%0.00715%0.153CC..BIsolated β-bridgetrans-65.5145.9176.463.20000111.3D207 G209 L216 W251 R263D207-S218 VanDerWaalsContact OD1-CB 3.28Å; D207-S218 WeakPolarHBondContact OD1-CB 3.24Å; D207-S218 PolarHBondContact OD1-OG 3.44Å; D207-S218 PolarHBondContact OD2-OG 3.16Å; G209-S218 VanDerWaalsContact CA-CB 3.48Å; G209-S218 WeakPolarHBondContact O-CB 3.17Å; L216-S218 PolarHBondContact O-N 2.82Å; S218-W251 WeakPolarHBondContact OG-CZ2 3.38Å; S218-W251 PolarHBondContact OG-NE1 3.01Å; S218-W251 VanDerWaalsContact OG-NE1 3.07Å; S218-R263 WeakPolarHBondContact O-CG 3.4Å
219H98.9Very high98.8Very high34 Ų3421.7 Ų21.716%0.15714%0.143CC..  trans-148.1146-171.7-172.7-81.5000111.5L210 G221 S222 T223 W251 G262 R263 Y272L210-H219 PolarHBondContact O-N 3.46Å; H219-G221 VanDerWaalsContact C-N 3.31Å; H219-G221 PolarHBondContact ND1-N 2.87Å; H219-G221 PolarHBondContact O-N 3.24Å; H219-S222 WeakPolarHBondContact CB-OG 3.39Å; H219-S222 PolarHBondContact O-N 3Å; H219-S222 PolarHBondContact O-OG 3.11Å; H219-S222 VanDerWaalsContact O-OG 3.08Å; H219-T223 WeakPolarHBondContact O-CB 3.18Å; H219-T223 PolarHBondContact O-N 2.69Å; H219-T223 PolarHBondContact O-OG1 3.09Å; H219-W251 VanDerWaalsContact C-CH2 3.49Å; H219-G262 CarbonylContact C-O 3.59Å; H219-G262 WeakPolarHBondContact CA-O 3.37Å; H219-R263 HydrophobicContact CB-CG 4.13Å; H219-R263 VanDerWaalsContact CD2-CD 3.45Å; H219-R263 WeakPolarHBondContact CD2-CD 3.43Å; H219-R263 VanDerWaalsContact CD2-CG 3.43Å; H219-R263 WeakPolarHBondContact CD2-CG 3.11Å; H219-R263 PolarHBondContact CD2-NE 3.43Å; H219-R263 VanDerWaalsContact CD2-NE 3.3Å; H219-Y272 AromaticContact CE1-CE1 3.66Å; H219-Y272 AromaticContact CE1-CZ 3.68Å; H219-Y272 PolarHBondContact CE1-OH 3.12Å; H219-Y272 PolarHBondContact NE2-OH 3.25Å
220G98.9Very high98.8Very high0 Ų021.7 Ų21.70%014%0.143CC..Hα-helixtrans-61.9-40.5-174.500000112.1T223 F224 G262G220-T223 PolarHBondContact O-N 2.93Å; G220-F224 PolarHBondContact O-N 3.43Å; G220-G262 PolarHBondContact N-O 2.87Å
221G98.8Very high98.8Very high11 Ų1123.4 Ų23.411%0.11315%0.154CC..Hα-helixtrans-61.2-50.8173.700000113.8H219 T223 F224 C225H219-G221 VanDerWaalsContact C-N 3.31Å; H219-G221 PolarHBondContact ND1-N 2.87Å; H219-G221 PolarHBondContact O-N 3.24Å; G221-T223 VanDerWaalsContact C-N 3.32Å; G221-T223 PolarHBondContact O-N 3.42Å; G221-F224 WeakPolarHBondContact O-CB 3.46Å; G221-F224 PolarHBondContact O-N 3.29Å; G221-C225 PolarHBondContact O-N 3.5Å; G221-C225 PolarHBondContact O-SG 3.36Å
222S98.9Very high98.8Very high0 Ų024 Ų240%016%0.157CC..Hα-helixtrans-69.7-30.8178.246.90000112.5M172 L210 A211 H219 C225 G226M172-S222 WeakPolarHBondContact CG-O 3.46Å; L210-S222 PolarHBondContact O-OG 3.24Å; A211-S222 VanDerWaalsContact C-CB 3.41Å; A211-S222 VanDerWaalsContact C-OG 3.27Å; A211-S222 WeakPolarHBondContact CA-OG 3.35Å; A211-S222 VanDerWaalsContact O-CB 3.3Å; A211-S222 WeakPolarHBondContact O-CB 3.3Å; H219-S222 WeakPolarHBondContact CB-OG 3.39Å; H219-S222 PolarHBondContact O-N 3Å; H219-S222 PolarHBondContact O-OG 3.11Å; H219-S222 VanDerWaalsContact O-OG 3.08Å; S222-C225 PolarHBondContact O-N 2.61Å; S222-G226 PolarHBondContact O-N 3.26Å
223T99Very high98.8Very high1 Ų122.4 Ų22.41%0.00615%0.15CC..Hα-helixtrans-65-43.1172.9-53.60000111.9L210 H219 G220 G221 I227 I248 W251 T279L210-T223 HydrophobicContact CB-CG2 4.39Å; L210-T223 PolarHBondContact N-OG1 3.41Å; L210-T223 PolarHBondContact O-OG1 3.21Å; L210-T223 VanDerWaalsContact O-OG1 3.08Å; H219-T223 WeakPolarHBondContact O-CB 3.18Å; H219-T223 PolarHBondContact O-N 2.69Å; H219-T223 PolarHBondContact O-OG1 3.09Å; G220-T223 PolarHBondContact O-N 2.93Å; G221-T223 VanDerWaalsContact C-N 3.32Å; G221-T223 PolarHBondContact O-N 3.42Å; T223-I227 HydrophobicContact CG2-CG1 4.23Å; T223-I227 WeakPolarHBondContact O-CB 3.49Å; T223-I227 VanDerWaalsContact O-CG1 3.24Å; T223-I227 WeakPolarHBondContact O-CG1 3.39Å; T223-I227 PolarHBondContact O-N 2.9Å; T223-I248 HydrophobicContact CG2-CG2 4.28Å; T223-W251 HydrophobicContact CG2-CE3 4.48Å; T223-W251 HydrophobicContact CG2-CZ3 4.34Å; T223-T279 HydrophobicContact CG2-CG2 4.07Å
224F98.9Very high98.9Very high0 Ų025.2 Ų25.20%018%0.179CC..Hα-helixtrans-56.4-54.1168.5170.9-91.8000111.4Y176 G220 G221 G226 I227 A228 F274 W275 A278 T279 P342Y176-F224 HydrophobicContact CD1-CE1 4.29Å; Y176-F224 HydrophobicContact CD2-CE1 4.26Å; Y176-F224 AromaticContact CE1-CE1 3.82Å; Y176-F224 HydrophobicContact CE1-CE1 3.82Å; Y176-F224 HydrophobicContact CE1-CZ 4.48Å; Y176-F224 AromaticContact CE2-CE1 3.78Å; Y176-F224 HydrophobicContact CE2-CE1 3.78Å; Y176-F224 HydrophobicContact CE2-CZ 4.12Å; Y176-F224 HydrophobicContact CG-CE1 4.49Å; Y176-F224 AromaticContact CZ-CE1 3.53Å; Y176-F224 AromaticContact CZ-CZ 3.84Å; G220-F224 PolarHBondContact O-N 3.43Å; G221-F224 WeakPolarHBondContact O-CB 3.46Å; G221-F224 PolarHBondContact O-N 3.29Å; F224-G226 VanDerWaalsContact C-N 3.31Å; F224-G226 PolarHBondContact O-N 3.44Å; F224-I227 PolarHBondContact O-N 3.33Å; F224-A228 HydrophobicContact CD2-CB 4.44Å; F224-A228 HydrophobicContact CE1-CB 4.22Å; F224-A228 HydrophobicContact CE2-CB 4.16Å; F224-A228 HydrophobicContact CZ-CB 4.04Å; F224-A228 WeakPolarHBondContact O-CB 3.19Å; F224-A228 PolarHBondContact O-N 3.01Å; F224-F274 HydrophobicContact CD2-CE1 4.5Å; F224-F274 AromaticContact CE2-CE1 3.73Å; F224-F274 HydrophobicContact CE2-CE1 3.73Å; F224-F274 AromaticContact CE2-CZ 3.96Å; F224-F274 HydrophobicContact CE2-CZ 3.96Å; F224-F274 AromaticContact CZ-CE1 3.75Å; F224-F274 HydrophobicContact CZ-CE1 3.75Å; F224-F274 HydrophobicContact CZ-CZ 4.07Å; F224-W275 HydrophobicContact CB-CB 4.4Å; F224-W275 HydrophobicContact CB-CE3 3.93Å; F224-W275 WeakPolarHBondContact CB-O 3.39Å; F224-W275 AromaticContact CD1-CE3 3.28Å; F224-W275 HydrophobicContact CD1-CE3 3.28Å; F224-W275 AromaticContact CD1-CZ3 3.3Å; F224-W275 HydrophobicContact CD1-CZ3 3.3Å; F224-W275 HydrophobicContact CD2-CE3 4.26Å; F224-W275 AromaticContact CE1-CE3 3.78Å; F224-W275 HydrophobicContact CE1-CE3 3.78Å; F224-W275 AromaticContact CE1-CZ3 3.44Å; F224-W275 HydrophobicContact CE1-CZ3 3.44Å; F224-W275 VanDerWaalsContact CE1-CZ3 3.44Å; F224-W275 AromaticContact CG-CE3 3.55Å; F224-W275 HydrophobicContact CG-CE3 3.55Å; F224-W275 HydrophobicContact CG-CZ3 4.08Å; F224-W275 HydrophobicContact CZ-CE3 4.43Å; F224-W275 HydrophobicContact CZ-CZ3 4.3Å; F224-A278 HydrophobicContact CD2-CB 4.03Å; F224-A278 HydrophobicContact CE2-CB 3.81Å; F224-T279 WeakPolarHBondContact CA-OG1 3.46Å; F224-T279 WeakPolarHBondContact CB-OG1 3.43Å; F224-P342 VanDerWaalsContact CE2-O 3.32Å; F224-P342 WeakPolarHBondContact CE2-O 3.36Å
225C98.9Very high98.9Very high6 Ų624.8 Ų24.84%0.04117%0.165CC..Hα-helixtrans-56.4-45.8-175.8-71.20000111.8M172 Y176 G221 S222 S229M172-C225 HydrophobicContact CB-CB 4.22Å; M172-C225 HydrophobicContact CG-CB 3.56Å; M172-C225 WeakPolarHBondContact O-CB 3.47Å; Y176-C225 HydrophobicContact CG-CB 4.36Å; G221-C225 PolarHBondContact O-N 3.5Å; G221-C225 PolarHBondContact O-SG 3.36Å; S222-C225 PolarHBondContact O-N 2.61Å; C225-S229 VanDerWaalsContact O-CB 3.23Å; C225-S229 WeakPolarHBondContact O-CB 3.47Å; C225-S229 PolarHBondContact O-N 2.97Å; C225-S229 PolarHBondContact O-OG 3.15Å
226G98.9Very high98.9Very high0 Ų021.6 Ų21.60%013%0.128CC..Hα-helixtrans-66.2-50.1178.400000113.1S222 F224 S229 L230S222-G226 PolarHBondContact O-N 3.26Å; F224-G226 VanDerWaalsContact C-N 3.31Å; F224-G226 PolarHBondContact O-N 3.44Å; G226-S229 PolarHBondContact O-N 3.42Å; G226-L230 WeakPolarHBondContact O-CG 3.29Å; G226-L230 PolarHBondContact O-N 3.07Å; G226-L230 VanDerWaalsContact O-N 3.1Å
227I98.9Very high98.8Very high0 Ų023.1 Ų23.10%013%0.132CC..Hα-helixtrans-66.7-45.1-178.3-63.6-64000111.4T223 F224 S229 L230 C231 L236 F240 I248 T279 L282 L283T223-I227 HydrophobicContact CG2-CG1 4.23Å; T223-I227 WeakPolarHBondContact O-CB 3.49Å; T223-I227 VanDerWaalsContact O-CG1 3.24Å; T223-I227 WeakPolarHBondContact O-CG1 3.39Å; T223-I227 PolarHBondContact O-N 2.9Å; F224-I227 PolarHBondContact O-N 3.33Å; I227-S229 VanDerWaalsContact C-N 3.34Å; I227-S229 PolarHBondContact O-N 2.97Å; I227-L230 PolarHBondContact O-N 3.29Å; I227-C231 PolarHBondContact O-N 3.13Å; I227-C231 PolarHBondContact O-SG 3.36Å; I227-C231 VanDerWaalsContact O-SG 3.33Å; I227-L236 HydrophobicContact CD1-CD1 3.87Å; I227-L236 HydrophobicContact CG2-CD1 4.27Å; I227-F240 HydrophobicContact CD1-CD2 4.42Å; I227-F240 HydrophobicContact CD1-CE2 4.21Å; I227-I248 HydrophobicContact CD1-CD1 4.32Å; I227-I248 HydrophobicContact CD1-CG2 4.21Å; I227-I248 HydrophobicContact CG1-CG2 4.48Å; I227-T279 HydrophobicContact CB-CG2 4.17Å; I227-T279 HydrophobicContact CG1-CG2 4.07Å; I227-T279 HydrophobicContact CG2-CG2 4.23Å; I227-L282 HydrophobicContact CG2-CB 4.16Å; I227-L282 HydrophobicContact CG2-CD1 4.13Å; I227-L283 HydrophobicContact CG2-CD2 4.4Å; I227-L283 HydrophobicContact CG2-CG 4.46Å
228A98.9Very high98.8Very high0 Ų024.6 Ų24.60%014%0.139CC..Hα-helixtrans-62.6-40.1177.300000111.8Y176 F224 C231 L232 L282 A343Y176-A228 HydrophobicContact CD2-CB 3.97Å; Y176-A228 HydrophobicContact CE2-CB 3.64Å; F224-A228 HydrophobicContact CD2-CB 4.44Å; F224-A228 HydrophobicContact CE1-CB 4.22Å; F224-A228 HydrophobicContact CE2-CB 4.16Å; F224-A228 HydrophobicContact CZ-CB 4.04Å; F224-A228 WeakPolarHBondContact O-CB 3.19Å; F224-A228 PolarHBondContact O-N 3.01Å; A228-C231 PolarHBondContact O-N 2.84Å; A228-L232 WeakPolarHBondContact O-CG 3.46Å; A228-L232 PolarHBondContact O-N 3.42Å; A228-L282 HydrophobicContact CB-CD1 4Å; A228-A343 HydrophobicContact CB-CB 4.26Å
229S98.9Very high98.8Very high0 Ų025.2 Ų25.20%014%0.143CC..Hα-helixtrans-58.8-48.3174-61.90000111.7Y176 S179 C225 G226 I227 C231 L232 M233Y176-S229 WeakPolarHBondContact CA-OG 3.41Å; S179-S229 VanDerWaalsContact OG-CB 3.28Å; S179-S229 WeakPolarHBondContact OG-CB 3.49Å; S179-S229 PolarHBondContact OG-OG 3.43Å; C225-S229 VanDerWaalsContact O-CB 3.23Å; C225-S229 WeakPolarHBondContact O-CB 3.47Å; C225-S229 PolarHBondContact O-N 2.97Å; C225-S229 PolarHBondContact O-OG 3.15Å; G226-S229 PolarHBondContact O-N 3.42Å; I227-S229 VanDerWaalsContact C-N 3.34Å; I227-S229 PolarHBondContact O-N 2.97Å; S229-C231 VanDerWaalsContact C-N 3.31Å; S229-C231 PolarHBondContact O-N 3.41Å; S229-L232 PolarHBondContact O-N 2.81Å; S229-M233 VanDerWaalsContact O-CG 3.24Å; S229-M233 WeakPolarHBondContact O-CG 3.2Å; S229-M233 PolarHBondContact O-N 2.87Å
230L98.9Very high98.8Very high0 Ų023.7 Ų23.70%014%0.136CC..Hα-helixtrans-63.7-35.1177.3-67.5179.1000112.9I197 I200 G226 I227 M233 G234 K235 L236 V239 F240I197-L230 HydrophobicContact CG1-CD2 3.95Å; I200-L230 HydrophobicContact CD1-CD2 3.88Å; I200-L230 HydrophobicContact CD1-CG 4.06Å; I200-L230 HydrophobicContact CG2-CD1 3.85Å; I200-L230 HydrophobicContact CG2-CD2 4.45Å; I200-L230 HydrophobicContact CG2-CG 4.08Å; G226-L230 WeakPolarHBondContact O-CG 3.29Å; G226-L230 PolarHBondContact O-N 3.07Å; G226-L230 VanDerWaalsContact O-N 3.1Å; I227-L230 PolarHBondContact O-N 3.29Å; L230-M233 HydrophobicContact CD2-SD 4.42Å; L230-G234 PolarHBondContact O-N 3.49Å; L230-G234 VanDerWaalsContact O-N 3.11Å; L230-K235 HydrophobicContact CD2-CB 4.49Å; L230-K235 PolarHBondContact O-N 3.4Å; L230-L236 HydrophobicContact CB-CB 4.29Å; L230-L236 HydrophobicContact CB-CD1 4.17Å; L230-L236 HydrophobicContact CD1-CD1 4.12Å; L230-L236 PolarHBondContact O-N 2.78Å; L230-V239 HydrophobicContact CD1-CB 4.07Å; L230-V239 HydrophobicContact CD1-CG1 3.76Å; L230-V239 HydrophobicContact CD2-CB 4.18Å; L230-V239 HydrophobicContact CD2-CG1 4.13Å; L230-V239 HydrophobicContact CD2-CG2 3.87Å; L230-F240 HydrophobicContact CD1-CD2 3.73Å; L230-F240 HydrophobicContact CD1-CE2 3.47Å; L230-F240 VanDerWaalsContact CD1-CE2 3.47Å
231C98.9Very high98.8Very high36 Ų3626.4 Ų26.424%0.24316%0.155CC..Hα-helixtrans-65.6-44.8173.2-71.20000111.9I227 A228 S229 M233 G234 L282 A343I227-C231 PolarHBondContact O-N 3.13Å; I227-C231 PolarHBondContact O-SG 3.36Å; I227-C231 VanDerWaalsContact O-SG 3.33Å; A228-C231 PolarHBondContact O-N 2.84Å; S229-C231 VanDerWaalsContact C-N 3.31Å; S229-C231 PolarHBondContact O-N 3.41Å; C231-M233 VanDerWaalsContact C-N 3.29Å; C231-M233 PolarHBondContact O-N 3.36Å; C231-G234 PolarHBondContact O-N 2.85Å; C231-L282 HydrophobicContact CB-CD1 4.48Å; C231-L282 HydrophobicContact CB-CD2 4.19Å; C231-A343 HydrophobicContact CB-CB 4.13Å
232L98.9Very high98.8Very high11 Ų1133 Ų336%0.05818%0.183CC..Hα-helixtrans-62.5-37.3176.6-69.3170.3000111.6Y176 Y183 W188 A228 S229 G234 A343 L344Y176-L232 HydrophobicContact CE2-CD1 4.23Å; Y183-L232 HydrophobicContact CD1-CD2 4.03Å; Y183-L232 HydrophobicContact CD2-CB 4.04Å; Y183-L232 HydrophobicContact CD2-CD2 3.69Å; Y183-L232 HydrophobicContact CD2-CG 4.46Å; Y183-L232 HydrophobicContact CE1-CD2 4.28Å; Y183-L232 HydrophobicContact CE2-CD2 3.95Å; Y183-L232 HydrophobicContact CG-CB 4.46Å; Y183-L232 HydrophobicContact CG-CD2 3.73Å; W188-L232 HydrophobicContact CH2-CB 4.23Å; W188-L232 VanDerWaalsContact CZ2-O 3.32Å; W188-L232 WeakPolarHBondContact CZ2-O 3.44Å; A228-L232 WeakPolarHBondContact O-CG 3.46Å; A228-L232 PolarHBondContact O-N 3.42Å; S229-L232 PolarHBondContact O-N 2.81Å; L232-G234 PolarHBondContact O-N 3.37Å; L232-A343 HydrophobicContact CD2-CB 4.01Å; L232-A343 HydrophobicContact CG-CB 4.02Å; L232-L344 HydrophobicContact CD2-CB 4.28Å; L232-L344 HydrophobicContact CD2-CD1 4.07Å
233M98.8Very high98.8Very high18 Ų1839.6 Ų39.69%0.08921%0.212CC..THydrogen-bonded Turntrans-71.2-15.8173.9-66.4170.1-17400113.6S179 W188 M191 M193 A196 I197 S229 L230 C231 K235S179-M233 WeakPolarHBondContact OG-CE 3.42Å; W188-M233 HydrophobicContact CE3-CG 4.26Å; W188-M233 HydrophobicContact CH2-CB 4.15Å; W188-M233 HydrophobicContact CH2-CG 3.38Å; W188-M233 HydrophobicContact CZ2-CG 4.2Å; W188-M233 HydrophobicContact CZ3-CE 3.94Å; W188-M233 HydrophobicContact CZ3-CG 3.42Å; W188-M233 VanDerWaalsContact CZ3-CG 3.42Å; M191-M233 HydrophobicContact CE-CE 4.4Å; M191-M233 HydrophobicContact SD-CE 3.72Å; M193-M233 HydrophobicContact CE-CB 4.35Å; M193-M233 HydrophobicContact CE-CG 4.08Å; M193-M233 HydrophobicContact CG-CE 4.43Å; M193-M233 HydrophobicContact CG-CG 4.35Å; M193-M233 HydrophobicContact CG-SD 3.87Å; M193-M233 HydrophobicContact SD-CB 4.29Å; M193-M233 HydrophobicContact SD-CG 4.27Å; M193-M233 HydrophobicContact SD-SD 4.45Å; A196-M233 HydrophobicContact CB-CE 4.3Å; I197-M233 HydrophobicContact CD1-SD 4.41Å; I197-M233 HydrophobicContact CG1-SD 4.01Å; S229-M233 VanDerWaalsContact O-CG 3.24Å; S229-M233 WeakPolarHBondContact O-CG 3.2Å; S229-M233 PolarHBondContact O-N 2.87Å; L230-M233 HydrophobicContact CD2-SD 4.42Å; C231-M233 VanDerWaalsContact C-N 3.29Å; C231-M233 PolarHBondContact O-N 3.36Å; M233-K235 HydrophobicContact CB-CB 4.1Å; M233-K235 HydrophobicContact CB-CG 3.88Å
234G98.7Very high98.8Very high64 Ų6441.1 Ų41.166%0.6622%0.219SC*.THydrogen-bonded Turntrans69.929.5-171.900000113.7L230 C231 L232L230-G234 PolarHBondContact O-N 3.49Å; L230-G234 VanDerWaalsContact O-N 3.11Å; C231-G234 PolarHBondContact O-N 2.85Å; L232-G234 PolarHBondContact O-N 3.37Å
235K98.8Very high98.8Very high57 Ų5741.3 Ų41.325%0.24822%0.22CC..  trans-121.33.1-168.2-67.5-69.5-177.9171.10114.9M193 I197 L230 M233 E237 E238 V239M193-K235 HydrophobicContact SD-CG 4.47Å; I197-K235 HydrophobicContact CD1-CB 4.24Å; I197-K235 HydrophobicContact CD1-CG 4.14Å; L230-K235 HydrophobicContact CD2-CB 4.49Å; L230-K235 PolarHBondContact O-N 3.4Å; M233-K235 HydrophobicContact CB-CB 4.1Å; M233-K235 HydrophobicContact CB-CG 3.88Å; K235-E237 PolarHBondContact O-N 2.9Å; K235-E238 HydrophobicContact CD-CB 4.36Å; K235-E238 VanDerWaalsContact CD-CD 3.48Å; K235-E238 HydrophobicContact CD-CG 4.46Å; K235-E238 WeakPolarHBondContact CD-OE2 3.34Å; K235-E238 WeakPolarHBondContact CE-OE2 3.4Å; K235-E238 IonicContact NZ-OE1 2.92Å; K235-E238 PolarHBondContact NZ-OE1 3.25Å; K235-E238 IonicContact NZ-OE2 2.63Å; K235-E238 PolarHBondContact NZ-OE2 3.33Å; K235-E238 PolarHBondContact O-N 2.93Å; K235-V239 HydrophobicContact CB-CG2 4.09Å; K235-V239 WeakPolarHBondContact O-CB 3.33Å; K235-V239 VanDerWaalsContact O-CG2 3.24Å; K235-V239 WeakPolarHBondContact O-CG2 3.32Å; K235-V239 PolarHBondContact O-N 2.96Å
236L98.7Very high98.7Very high15 Ų1544.5 Ų44.58%0.07924%0.236CC..Hα-helixtrans-52.9-53.4-174.8-177.766.6000113.3I227 L230 E238 V239 F240 L245 L283I227-L236 HydrophobicContact CD1-CD1 3.87Å; I227-L236 HydrophobicContact CG2-CD1 4.27Å; L230-L236 HydrophobicContact CB-CB 4.29Å; L230-L236 HydrophobicContact CB-CD1 4.17Å; L230-L236 HydrophobicContact CD1-CD1 4.12Å; L230-L236 PolarHBondContact O-N 2.78Å; L236-E238 VanDerWaalsContact C-N 3.33Å; L236-V239 PolarHBondContact O-N 3.33Å; L236-F240 HydrophobicContact CD1-CD2 4.3Å; L236-F240 PolarHBondContact O-N 2.9Å; L236-L245 HydrophobicContact CD1-CD2 3.89Å; L236-L245 HydrophobicContact CD2-CD2 4.44Å; L236-L245 HydrophobicContact CG-CD2 4.06Å; L236-L283 HydrophobicContact CD2-CD2 4.21Å
237E98.1Very high98.7Very high129 Ų12949.7 Ų49.760%0.60326%0.256SS*.Hα-helixtrans-74.2-23.4-177-53.9-69.5178.700112.7K235 L245K235-E237 PolarHBondContact O-N 2.9Å; E237-L245 WeakPolarHBondContact OE2-CD1 3.29Å
238E98.2Very high98.7Very high134 Ų13449.7 Ų49.763%0.62626%0.256SS*.Hα-helixtrans-74.8-36.3173.1179.5179.4133.500110.9K235 L236K235-E238 HydrophobicContact CD-CB 4.36Å; K235-E238 VanDerWaalsContact CD-CD 3.48Å; K235-E238 HydrophobicContact CD-CG 4.46Å; K235-E238 WeakPolarHBondContact CD-OE2 3.34Å; K235-E238 WeakPolarHBondContact CE-OE2 3.4Å; K235-E238 IonicContact NZ-OE1 2.92Å; K235-E238 PolarHBondContact NZ-OE1 3.25Å; K235-E238 IonicContact NZ-OE2 2.63Å; K235-E238 PolarHBondContact NZ-OE2 3.33Å; K235-E238 PolarHBondContact O-N 2.93Å; L236-E238 VanDerWaalsContact C-N 3.33Å
239V98.5Very high98.7Very high14 Ų1452.1 Ų52.19%0.08527%0.266CS..Hα-helixtrans-84.1-47.1-173.2170.70000111.5I197 R201 L230 K235 L236I197-V239 HydrophobicContact CB-CG2 4.49Å; I197-V239 HydrophobicContact CD1-CG2 4.17Å; I197-V239 HydrophobicContact CG1-CG2 4.26Å; I197-V239 HydrophobicContact CG2-CB 4.44Å; I197-V239 HydrophobicContact CG2-CG1 4.05Å; I197-V239 HydrophobicContact CG2-CG2 3.45Å; I197-V239 VanDerWaalsContact CG2-CG2 3.45Å; R201-V239 HydrophobicContact CG-CG1 3.47Å; R201-V239 VanDerWaalsContact CG-CG1 3.47Å; R201-V239 PolarHBondContact NH1-O 2.82Å; L230-V239 HydrophobicContact CD1-CB 4.07Å; L230-V239 HydrophobicContact CD1-CG1 3.76Å; L230-V239 HydrophobicContact CD2-CB 4.18Å; L230-V239 HydrophobicContact CD2-CG1 4.13Å; L230-V239 HydrophobicContact CD2-CG2 3.87Å; K235-V239 HydrophobicContact CB-CG2 4.09Å; K235-V239 WeakPolarHBondContact O-CB 3.33Å; K235-V239 VanDerWaalsContact O-CG2 3.24Å; K235-V239 WeakPolarHBondContact O-CG2 3.32Å; K235-V239 PolarHBondContact O-N 2.96Å; L236-V239 PolarHBondContact O-N 3.33Å
240F98.7Very high98.7Very high1 Ų160.2 Ų60.20%0.00430%0.297CS..SBendtrans-110.3127.5-179.6-70.3-62.8000111I200 R201 M204 L210 I227 L230 L236 E244 L245 I248I200-F240 HydrophobicContact CG2-CE2 4.44Å; I200-F240 HydrophobicContact CG2-CZ 4.49Å; R201-F240 HydrophobicContact CG-CE1 4.4Å; M204-F240 HydrophobicContact CE-CE1 4.38Å; M204-F240 HydrophobicContact SD-CD1 4.43Å; M204-F240 HydrophobicContact SD-CE1 3.91Å; L210-F240 HydrophobicContact CD1-CZ 4.28Å; L210-F240 HydrophobicContact CD2-CZ 4.45Å; I227-F240 HydrophobicContact CD1-CD2 4.42Å; I227-F240 HydrophobicContact CD1-CE2 4.21Å; L230-F240 HydrophobicContact CD1-CD2 3.73Å; L230-F240 HydrophobicContact CD1-CE2 3.47Å; L230-F240 VanDerWaalsContact CD1-CE2 3.47Å; L236-F240 HydrophobicContact CD1-CD2 4.3Å; L236-F240 PolarHBondContact O-N 2.9Å; F240-E244 HydrophobicContact CB-CB 4.11Å; F240-E244 HydrophobicContact CD1-CB 3.98Å; F240-E244 HydrophobicContact CG-CB 4.46Å; F240-L245 HydrophobicContact CB-CD2 3.72Å; F240-L245 HydrophobicContact CB-CG 3.76Å; F240-L245 HydrophobicContact CD2-CD2 4.38Å; F240-L245 HydrophobicContact CG-CD2 4.42Å; F240-I248 HydrophobicContact CD1-CD1 4.13Å; F240-I248 HydrophobicContact CD2-CD1 3.96Å; F240-I248 HydrophobicContact CE1-CD1 4.21Å; F240-I248 HydrophobicContact CE2-CD1 4.03Å; F240-I248 HydrophobicContact CG-CD1 4.01Å; F240-I248 HydrophobicContact CZ-CD1 4.16Å
241S98.8Very high98.7Very high58 Ų5861 Ų6141%0.40630%0.3SS..  trans-60.7158.6171.261.80000111.4K243 E244 L245S241-K243 PolarHBondContact O-N 3.19Å; S241-K243 VanDerWaalsContact O-N 3.13Å; S241-E244 WeakPolarHBondContact CB-OE2 3.33Å; S241-E244 PolarHBondContact N-OE2 3.15Å; S241-E244 PolarHBondContact O-N 3.22Å; S241-E244 VanDerWaalsContact OG-CG 3.31Å; S241-E244 WeakPolarHBondContact OG-CG 3.27Å; S241-E244 PolarHBondContact OG-N 3.1Å; S241-E244 PolarHBondContact OG-OE2 3.35Å; S241-L245 PolarHBondContact O-N 3.48Å
242E98.6Very high98.8Very high149 Ų14959.3 Ų59.370%0.69629%0.289SS*.Hα-helixtrans-52.7-39.6175.9-170.5-170.8163.600112.3L245 N246E242-L245 PolarHBondContact O-N 3.38Å; E242-N246 WeakPolarHBondContact O-CB 3.34Å; E242-N246 PolarHBondContact O-N 2.61Å; E242-N246 PolarHBondContact O-ND2 3.23Å
243K98.8Very high98.8Very high139 Ų13961.2 Ų61.260%0.60430%0.298SS*.Hα-helixtrans-64.3-42.3176.9-173.2177.5-177.9177.80112.3S241 R247S241-K243 PolarHBondContact O-N 3.19Å; S241-K243 VanDerWaalsContact O-N 3.13Å; K243-R247 WeakPolarHBondContact O-CD 3.37Å; K243-R247 VanDerWaalsContact O-CG 3.29Å; K243-R247 WeakPolarHBondContact O-CG 3.39Å; K243-R247 PolarHBondContact O-N 3.04Å
244E98.9Very high98.8Very high32 Ų3265.6 Ų65.615%0.1532%0.32CS..Hα-helixtrans-66.5-45.5175.2-71.9164.4130.700110.6R201 M204 F240 S241 N246 R247 I248R201-E244 IonicContact CZ-OE1 3.16Å; R201-E244 IonicContact NH1-OE1 2.64Å; R201-E244 PolarHBondContact NH1-OE1 3.44Å; R201-E244 IonicContact NH1-OE2 3.45Å; R201-E244 IonicContact NH2-OE1 2.68Å; R201-E244 PolarHBondContact NH2-OE1 2.9Å; M204-E244 HydrophobicContact CE-CG 4.22Å; F240-E244 HydrophobicContact CB-CB 4.11Å; F240-E244 HydrophobicContact CD1-CB 3.98Å; F240-E244 HydrophobicContact CG-CB 4.46Å; S241-E244 WeakPolarHBondContact CB-OE2 3.33Å; S241-E244 PolarHBondContact N-OE2 3.15Å; S241-E244 PolarHBondContact O-N 3.22Å; S241-E244 VanDerWaalsContact OG-CG 3.31Å; S241-E244 WeakPolarHBondContact OG-CG 3.27Å; S241-E244 PolarHBondContact OG-N 3.1Å; S241-E244 PolarHBondContact OG-OE2 3.35Å; E244-N246 VanDerWaalsContact C-N 3.31Å; E244-N246 PolarHBondContact O-N 3.22Å; E244-R247 WeakPolarHBondContact O-CB 3.34Å; E244-R247 PolarHBondContact O-N 3.14Å; E244-I248 WeakPolarHBondContact O-CG1 3.42Å; E244-I248 PolarHBondContact O-N 3.41Å
245L98.9Very high98.8Very high4 Ų463.3 Ų63.32%0.02129%0.291CS..Hα-helixtrans-59.5-40.3176.1-70.5174.5000112L236 E237 F240 S241 E242 R247 I248 K249 L283L236-L245 HydrophobicContact CD1-CD2 3.89Å; L236-L245 HydrophobicContact CD2-CD2 4.44Å; L236-L245 HydrophobicContact CG-CD2 4.06Å; E237-L245 WeakPolarHBondContact OE2-CD1 3.29Å; F240-L245 HydrophobicContact CB-CD2 3.72Å; F240-L245 HydrophobicContact CB-CG 3.76Å; F240-L245 HydrophobicContact CD2-CD2 4.38Å; F240-L245 HydrophobicContact CG-CD2 4.42Å; S241-L245 PolarHBondContact O-N 3.48Å; E242-L245 PolarHBondContact O-N 3.38Å; L245-R247 VanDerWaalsContact C-N 3.29Å; L245-R247 PolarHBondContact O-N 3.45Å; L245-I248 PolarHBondContact O-N 3.27Å; L245-K249 VanDerWaalsContact O-CB 3.27Å; L245-K249 WeakPolarHBondContact O-CB 3.32Å; L245-K249 WeakPolarHBondContact O-CG 3.46Å; L245-K249 PolarHBondContact O-N 3.1Å; L245-L283 HydrophobicContact CD2-CD2 3.94Å
246N98.9Very high98.8Very high73 Ų7362.3 Ų62.339%0.3929%0.287SS..Hα-helixtrans-65.1-32.7176-72.5-21.8000112.6E242 E244 K249 R250E242-N246 WeakPolarHBondContact O-CB 3.34Å; E242-N246 PolarHBondContact O-N 2.61Å; E242-N246 PolarHBondContact O-ND2 3.23Å; E244-N246 VanDerWaalsContact C-N 3.31Å; E244-N246 PolarHBondContact O-N 3.22Å; N246-K249 PolarHBondContact OD1-NZ 2.81Å; N246-R250 PolarHBondContact O-N 3.47Å
247R98.9Very high98.8Very high109 Ų10966.8 Ų66.841%0.41131%0.308SS..Hα-helixtrans-71.6-43.4173.7-69.5164167.7-170.7-4.9112.1N208 K243 E244 L245 R250 W251N208-R247 HydrophobicContact CB-CB 3.62Å; N208-R247 WeakPolarHBondContact OD1-CD 3.32Å; K243-R247 WeakPolarHBondContact O-CD 3.37Å; K243-R247 VanDerWaalsContact O-CG 3.29Å; K243-R247 WeakPolarHBondContact O-CG 3.39Å; K243-R247 PolarHBondContact O-N 3.04Å; E244-R247 WeakPolarHBondContact O-CB 3.34Å; E244-R247 PolarHBondContact O-N 3.14Å; L245-R247 VanDerWaalsContact C-N 3.29Å; L245-R247 PolarHBondContact O-N 3.45Å; R247-R250 WeakPolarHBondContact O-CB 3.47Å; R247-R250 PolarHBondContact O-N 3.41Å; R247-W251 PolarHBondContact O-N 3.1Å
248I98.9Very high98.6Very high0 Ų064.2 Ų64.20%030%0.299CS..Hα-helixtrans-62.2-45.1175.2-64.1162.5000110.3M204 N208 L210 T223 I227 F240 E244 L245 R250 W251 C252 L283M204-I248 HydrophobicContact SD-CD1 4.24Å; M204-I248 HydrophobicContact SD-CG1 4.29Å; N208-I248 WeakPolarHBondContact O-CG1 3.5Å; L210-I248 HydrophobicContact CD1-CD1 4.13Å; L210-I248 HydrophobicContact CD1-CG1 4.27Å; T223-I248 HydrophobicContact CG2-CG2 4.28Å; I227-I248 HydrophobicContact CD1-CD1 4.32Å; I227-I248 HydrophobicContact CD1-CG2 4.21Å; I227-I248 HydrophobicContact CG1-CG2 4.48Å; F240-I248 HydrophobicContact CD1-CD1 4.13Å; F240-I248 HydrophobicContact CD2-CD1 3.96Å; F240-I248 HydrophobicContact CE1-CD1 4.21Å; F240-I248 HydrophobicContact CE2-CD1 4.03Å; F240-I248 HydrophobicContact CG-CD1 4.01Å; F240-I248 HydrophobicContact CZ-CD1 4.16Å; E244-I248 WeakPolarHBondContact O-CG1 3.42Å; E244-I248 PolarHBondContact O-N 3.41Å; L245-I248 PolarHBondContact O-N 3.27Å; I248-R250 VanDerWaalsContact C-N 3.32Å; I248-R250 PolarHBondContact O-N 3.12Å; I248-W251 PolarHBondContact O-N 2.85Å; I248-W251 VanDerWaalsContact O-N 3.16Å; I248-C252 PolarHBondContact O-N 3.13Å; I248-C252 PolarHBondContact O-SG 2.85Å; I248-L283 HydrophobicContact CG2-CD1 3.92Å
249K98.9Very high98.6Very high51 Ų5157.9 Ų57.922%0.22227%0.269CS..Hα-helixtrans-52.9-48.7173-80.4173.9-165.8167.80111.5L245 N246 C252 I253 L283 I285L245-K249 VanDerWaalsContact O-CB 3.27Å; L245-K249 WeakPolarHBondContact O-CB 3.32Å; L245-K249 WeakPolarHBondContact O-CG 3.46Å; L245-K249 PolarHBondContact O-N 3.1Å; N246-K249 PolarHBondContact OD1-NZ 2.81Å; K249-C252 PolarHBondContact O-N 2.9Å; K249-I253 WeakPolarHBondContact O-CG2 3.49Å; K249-I253 PolarHBondContact O-N 3.25Å; K249-L283 WeakPolarHBondContact CE-O 3.36Å; K249-L283 HydrophobicContact CG-CB 3.91Å; K249-L283 HydrophobicContact CG-CD1 3.97Å; K249-L283 HydrophobicContact CG-CG 4.38Å; K249-I285 HydrophobicContact CB-CD1 3.5Å; K249-I285 VanDerWaalsContact CB-CD1 3.5Å; K249-I285 HydrophobicContact CB-CG1 4.5Å; K249-I285 HydrophobicContact CD-CD1 4.21Å; K249-I285 HydrophobicContact CD-CG1 4.48Å; K249-I285 HydrophobicContact CD-CG2 3.99Å; K249-I285 HydrophobicContact CG-CD1 3.57Å; K249-I285 HydrophobicContact CG-CG1 4.05Å; K249-I285 HydrophobicContact CG-CG2 4.47Å
250R98.9Very high98.7Very high171 Ų17157.2 Ų57.265%0.64527%0.265SS*.Hα-helixtrans-59.4-47.2176.7178.262.464.480.22.5111.4N246 R247 I248 C252 I253 M254N246-R250 PolarHBondContact O-N 3.47Å; R247-R250 WeakPolarHBondContact O-CB 3.47Å; R247-R250 PolarHBondContact O-N 3.41Å; I248-R250 VanDerWaalsContact C-N 3.32Å; I248-R250 PolarHBondContact O-N 3.12Å; R250-C252 VanDerWaalsContact C-N 3.35Å; R250-C252 PolarHBondContact O-N 3.41Å; R250-I253 WeakPolarHBondContact O-CG2 3.44Å; R250-M254 HydrophobicContact CG-CG 4.49Å; R250-M254 WeakPolarHBondContact O-CB 3.36Å; R250-M254 WeakPolarHBondContact O-CG 3.37Å; R250-M254 PolarHBondContact O-N 3.22Å
251W98.9Very high98.7Very high15 Ų1557.5 Ų57.56%0.05727%0.266CS..Hα-helixtrans-60.2-45.8179.3-175.394.9000111.9D207 G209 S218 H219 T223 R247 I248 M254 R255D207-W251 VanDerWaalsContact CG-NE1 3.33Å; D207-W251 VanDerWaalsContact O-CD1 3.23Å; D207-W251 PolarHBondContact OD2-NE1 2.97Å; G209-W251 VanDerWaalsContact CA-CD2 3.47Å; S218-W251 WeakPolarHBondContact OG-CZ2 3.38Å; S218-W251 PolarHBondContact OG-NE1 3.01Å; S218-W251 VanDerWaalsContact OG-NE1 3.07Å; H219-W251 VanDerWaalsContact C-CH2 3.49Å; T223-W251 HydrophobicContact CG2-CE3 4.48Å; T223-W251 HydrophobicContact CG2-CZ3 4.34Å; R247-W251 PolarHBondContact O-N 3.1Å; I248-W251 PolarHBondContact O-N 2.85Å; I248-W251 VanDerWaalsContact O-N 3.16Å; W251-M254 PolarHBondContact O-N 3.4Å; W251-R255 HydrophobicContact CE3-CG 4.31Å; W251-R255 HydrophobicContact CH2-CG 4.33Å; W251-R255 HydrophobicContact CZ3-CG 4Å; W251-R255 PolarHBondContact O-NE 3.28Å; W251-R255 VanDerWaalsContact O-NE 3.13Å
252C98.9Very high98.7Very high1 Ų154.9 Ų54.91%0.00725%0.248CC..Hα-helixtrans-65.2-45.5-179.1-65.20000112.5I248 K249 R250 M254 R255 V276 L280I248-C252 PolarHBondContact O-N 3.13Å; I248-C252 PolarHBondContact O-SG 2.85Å; K249-C252 PolarHBondContact O-N 2.9Å; R250-C252 VanDerWaalsContact C-N 3.35Å; R250-C252 PolarHBondContact O-N 3.41Å; C252-M254 VanDerWaalsContact C-N 3.27Å; C252-M254 PolarHBondContact O-N 3.3Å; C252-R255 VanDerWaalsContact O-CB 3.23Å; C252-R255 WeakPolarHBondContact O-CB 3.39Å; C252-R255 WeakPolarHBondContact O-CG 3.39Å; C252-R255 PolarHBondContact O-N 2.77Å; C252-R255 VanDerWaalsContact O-N 3.1Å; C252-V276 HydrophobicContact CB-CG1 4.26Å; C252-V276 WeakPolarHBondContact O-CG1 3.13Å; C252-L280 HydrophobicContact CB-CD2 3.51Å; C252-L280 HydrophobicContact CB-CG 3.98Å
253I98.9Very high98.7Very high51 Ų5151.6 Ų51.626%0.26223%0.23SC..Hα-helixtrans-69.5-30.3-176.9-159.8167000111.4K249 R250 R255 Q256 L280 I285 T289K249-I253 WeakPolarHBondContact O-CG2 3.49Å; K249-I253 PolarHBondContact O-N 3.25Å; R250-I253 WeakPolarHBondContact O-CG2 3.44Å; I253-R255 PolarHBondContact O-N 2.64Å; I253-R255 VanDerWaalsContact O-N 3.08Å; I253-Q256 PolarHBondContact O-N 3.25Å; I253-L280 HydrophobicContact CB-CD2 4.09Å; I253-I285 HydrophobicContact CB-CD1 4.47Å; I253-T289 HydrophobicContact CD1-CG2 4.42Å; I253-T289 HydrophobicContact CG1-CG2 4.24Å
254M98.9Very high98.7Very high110 Ų11047.1 Ų47.154%0.54222%0.215SC..THydrogen-bonded Turntrans-68.4-2.4174.2-70.6-62.6-61.200113.7R250 W251 C252 Q256R250-M254 HydrophobicContact CG-CG 4.49Å; R250-M254 WeakPolarHBondContact O-CB 3.36Å; R250-M254 WeakPolarHBondContact O-CG 3.37Å; R250-M254 PolarHBondContact O-N 3.22Å; W251-M254 PolarHBondContact O-N 3.4Å; C252-M254 VanDerWaalsContact C-N 3.27Å; C252-M254 PolarHBondContact O-N 3.3Å; M254-Q256 VanDerWaalsContact C-N 3.34Å
255R98.9Very high98.6Very high17 Ų1753.5 Ų53.56%0.06425%0.25CC..THydrogen-bonded Turntrans-81-16.4175.4-55.3-57.777-135.4-12.5112.8W251 C252 I253 Y260 H261 R263 P264 V276W251-R255 HydrophobicContact CE3-CG 4.31Å; W251-R255 HydrophobicContact CH2-CG 4.33Å; W251-R255 HydrophobicContact CZ3-CG 4Å; W251-R255 PolarHBondContact O-NE 3.28Å; W251-R255 VanDerWaalsContact O-NE 3.13Å; C252-R255 VanDerWaalsContact O-CB 3.23Å; C252-R255 WeakPolarHBondContact O-CB 3.39Å; C252-R255 WeakPolarHBondContact O-CG 3.39Å; C252-R255 PolarHBondContact O-N 2.77Å; C252-R255 VanDerWaalsContact O-N 3.1Å; I253-R255 PolarHBondContact O-N 2.64Å; I253-R255 VanDerWaalsContact O-N 3.08Å; R255-Y260 HydrophobicContact CB-CD1 4.03Å; R255-Y260 WeakPolarHBondContact O-CA 3.33Å; R255-H261 PolarHBondContact NH1-CD2 3.34Å; R255-H261 PolarHBondContact NH1-CE1 3Å; R255-H261 PolarHBondContact NH1-NE2 2.74Å; R255-H261 PolarHBondContact NH2-NE2 2.74Å; R255-H261 PolarHBondContact O-CD2 3.07Å; R255-H261 PolarHBondContact O-N 2.93Å; R255-H261 VanDerWaalsContact O-N 3.13Å; R255-R263 PolarHBondContact NH1-O 3.44Å; R255-P264 VanDerWaalsContact NH1-CD 3.28Å; R255-V276 HydrophobicContact CB-CG1 3.92Å; R255-V276 HydrophobicContact CB-CG2 4.19Å; R255-V276 HydrophobicContact CG-CG1 3.94Å; R255-V276 HydrophobicContact CG-CG2 4.08Å
256Q98.9Very high98.6Very high35 Ų3558.5 Ų58.516%0.16427%0.272CS..BIsolated β-bridgetrans-75.6128.6178.9-164.4175.517.500110.6I253 M254 G259 Y260 N290I253-Q256 PolarHBondContact O-N 3.25Å; M254-Q256 VanDerWaalsContact C-N 3.34Å; Q256-G259 WeakPolarHBondContact CA-O 3.3Å; Q256-Y260 HydrophobicContact CB-CD1 4Å; Q256-Y260 HydrophobicContact CB-CE1 3.57Å; Q256-Y260 HydrophobicContact CG-CD1 4.49Å; Q256-Y260 HydrophobicContact CG-CE1 4.03Å; Q256-Y260 HydrophobicContact CG-CE2 4.21Å; Q256-N290 PolarHBondContact NE2-O 3.39Å
257Q98.6Very high98.6Very high109 Ų10958.6 Ų58.651%0.50928%0.276SS..SBendtrans-116.2-65.7169.8-53.7-58.6-4800109G259 V268Q257-G259 PolarHBondContact N-O 3.43Å; Q257-V268 HydrophobicContact CB-CG1 3.83Å; Q257-V268 HydrophobicContact CG-CG1 4Å
258N95Very high98.6Very high76 Ų7654.4 Ų54.441%0.40626%0.262SS..SBendtrans-130.4-56.3165.44718.8000108.5V268 K293 N294N258-V268 WeakPolarHBondContact OD1-CG2 3.48Å; N258-K293 CarbonylContact C-O 3.59Å; N258-K293 CarbonylContact O-C 3.6Å; N258-K293 VanDerWaalsContact O-O 3.07Å; N258-N294 WeakPolarHBondContact O-CA 3.32Å; N258-N294 PolarHBondContact O-N 2.99Å; N258-N294 VanDerWaalsContact O-N 3.1Å
259G98.5Very high98.6Very high0 Ų054.7 Ų54.70%026%0.264CS..SBendtrans-88.7-154149.100000111.3Q256 Q257Q256-G259 WeakPolarHBondContact CA-O 3.3Å; Q257-G259 PolarHBondContact N-O 3.43Å
260Y98.9Very high98.6Very high0 Ų052.3 Ų52.30%025%0.254CS..BIsolated β-bridgetrans-114.6145.4179.5-68.2-96.8000111.7R255 Q256 V268 D269 V276 L280 T289 N294R255-Y260 HydrophobicContact CB-CD1 4.03Å; R255-Y260 WeakPolarHBondContact O-CA 3.33Å; Q256-Y260 HydrophobicContact CB-CD1 4Å; Q256-Y260 HydrophobicContact CB-CE1 3.57Å; Q256-Y260 HydrophobicContact CG-CD1 4.49Å; Q256-Y260 HydrophobicContact CG-CE1 4.03Å; Q256-Y260 HydrophobicContact CG-CE2 4.21Å; Y260-V268 CarbonylContact O-C 3.49Å; Y260-V268 VanDerWaalsContact O-CA 3.28Å; Y260-V268 WeakPolarHBondContact O-CA 3.41Å; Y260-V268 WeakPolarHBondContact O-CB 3.06Å; Y260-D269 PolarHBondContact O-N 3.03Å; Y260-V276 HydrophobicContact CD1-CB 3.89Å; Y260-V276 HydrophobicContact CD1-CG1 3.73Å; Y260-V276 HydrophobicContact CE1-CG1 4.07Å; Y260-V276 HydrophobicContact CG-CB 4.32Å; Y260-L280 HydrophobicContact CE1-CD1 3.86Å; Y260-T289 VanDerWaalsContact OH-CB 3.3Å; Y260-T289 WeakPolarHBondContact OH-CB 3.47Å; Y260-T289 VanDerWaalsContact OH-CG2 3.27Å; Y260-T289 WeakPolarHBondContact OH-CG2 3.13Å; Y260-N294 WeakPolarHBondContact CD2-OD1 3.42Å; Y260-N294 HydrophobicContact CE2-CB 4.22Å
261H98.9Very high98.6Very high8 Ų844.5 Ų44.54%0.03723%0.225CC..  trans-109.3156.416864.9-175.2000112.2R255 R263 K266 P267 V268R255-H261 PolarHBondContact NH1-CD2 3.34Å; R255-H261 PolarHBondContact NH1-CE1 3Å; R255-H261 PolarHBondContact NH1-NE2 2.74Å; R255-H261 PolarHBondContact NH2-NE2 2.74Å; R255-H261 PolarHBondContact O-CD2 3.07Å; R255-H261 PolarHBondContact O-N 2.93Å; R255-H261 VanDerWaalsContact O-N 3.13Å; H261-R263 PolarHBondContact CE1-O 2.67Å; H261-R263 VanDerWaalsContact CG-O 3.31Å; H261-R263 PolarHBondContact ND1-O 2.71Å; H261-R263 VanDerWaalsContact ND1-O 3.12Å; H261-K266 WeakPolarHBondContact CB-O 3.23Å; H261-K266 PolarHBondContact ND1-O 3.28Å; H261-P267 VanDerWaalsContact CB-O 3.26Å; H261-P267 WeakPolarHBondContact CB-O 3.28Å; H261-V268 HydrophobicContact CB-CG1 4.35Å
262G98.6Very high98.6Very high3 Ų345.2 Ų45.23%0.03123%0.228CC..SBendtrans-73.5-26.7-179.400000114.6H219 G220 Y272H219-G262 CarbonylContact C-O 3.59Å; H219-G262 WeakPolarHBondContact CA-O 3.37Å; G220-G262 PolarHBondContact N-O 2.87Å; G262-Y272 VanDerWaalsContact N-CD2 3.35Å
263R98.7Very high98.6Very high79 Ų7945.2 Ų45.230%0.29823%0.228SC..SBendtrans-153.3156.3-170.6-70.4-177.8-82.3180-5.3112.1E217 S218 H219 R255 H261 K266E217-R263 WeakPolarHBondContact OE1-CD 3.42Å; E217-R263 WeakPolarHBondContact OE2-CD 3.34Å; E217-R263 IonicContact OE2-CZ 2.95Å; E217-R263 IonicContact OE2-NE 3.71Å; E217-R263 IonicContact OE2-NH1 3.33Å; E217-R263 PolarHBondContact OE2-NH1 2.96Å; S218-R263 WeakPolarHBondContact O-CG 3.4Å; H219-R263 HydrophobicContact CB-CG 4.13Å; H219-R263 VanDerWaalsContact CD2-CD 3.45Å; H219-R263 WeakPolarHBondContact CD2-CD 3.43Å; H219-R263 VanDerWaalsContact CD2-CG 3.43Å; H219-R263 WeakPolarHBondContact CD2-CG 3.11Å; H219-R263 PolarHBondContact CD2-NE 3.43Å; H219-R263 VanDerWaalsContact CD2-NE 3.3Å; R255-R263 PolarHBondContact NH1-O 3.44Å; H261-R263 PolarHBondContact CE1-O 2.67Å; H261-R263 VanDerWaalsContact CG-O 3.31Å; H261-R263 PolarHBondContact ND1-O 2.71Å; H261-R263 VanDerWaalsContact ND1-O 3.12Å; R263-K266 HydrophobicContact CB-CG 3.99Å; R263-K266 PolarHBondContact O-N 2.96Å
264P98.8Very high98.6Very high45 Ų4542.8 Ų42.829%0.29222%0.215SC..THydrogen-bonded Turntrans-55.8142.8179.5-27.135.9000111.3R255 K266R255-P264 VanDerWaalsContact NH1-CD 3.28Å; P264-K266 PolarHBondContact O-N 3.49Å; P264-K266 VanDerWaalsContact O-N 3.1Å
265N98.6Very high98.6Very high166 Ų16639.9 Ų39.989%0.88820%0.198SC*.THydrogen-bonded Turntrans58.719.2179.1-54.5-39.5000116
266K98.7Very high98.6Very high110 Ų11039.1 Ų39.148%0.47820%0.196SC..SBendtrans-100.5154169-66.8-63.8-67178.90111.2H261 R263 P264H261-K266 WeakPolarHBondContact CB-O 3.23Å; H261-K266 PolarHBondContact ND1-O 3.28Å; R263-K266 HydrophobicContact CB-CG 3.99Å; R263-K266 PolarHBondContact O-N 2.96Å; P264-K266 PolarHBondContact O-N 3.49Å; P264-K266 VanDerWaalsContact O-N 3.1Å
267P98.6Very high98.6Very high75 Ų7537.4 Ų37.449%0.48719%0.188SC..PPolyproline II helixtrans-61.8152.6171.227.5-35.2000110.7H261 W312H261-P267 VanDerWaalsContact CB-O 3.26Å; H261-P267 WeakPolarHBondContact CB-O 3.28Å; P267-W312 HydrophobicContact CG-CZ2 4.15Å
268V98.7Very high98.6Very high20 Ų2032.2 Ų32.212%0.12116%0.164CC..PPolyproline II helixtrans-62.5157.6169.6-69.30000111.1Q257 N258 Y260 H261 Y297 W312Q257-V268 HydrophobicContact CB-CG1 3.83Å; Q257-V268 HydrophobicContact CG-CG1 4Å; N258-V268 WeakPolarHBondContact OD1-CG2 3.48Å; Y260-V268 CarbonylContact O-C 3.49Å; Y260-V268 VanDerWaalsContact O-CA 3.28Å; Y260-V268 WeakPolarHBondContact O-CA 3.41Å; Y260-V268 WeakPolarHBondContact O-CB 3.06Å; H261-V268 HydrophobicContact CB-CG1 4.35Å; V268-Y297 HydrophobicContact CB-CE1 4.31Å; V268-Y297 HydrophobicContact CB-CE2 4.13Å; V268-Y297 HydrophobicContact CG2-CD2 3.97Å; V268-Y297 HydrophobicContact CG2-CE1 4.26Å; V268-Y297 HydrophobicContact CG2-CE2 3.23Å; V268-Y297 VanDerWaalsContact CG2-CZ 3.41Å; V268-Y297 PolarHBondContact O-OH 2.73Å; V268-W312 VanDerWaalsContact O-CD1 3.24Å; V268-W312 PolarHBondContact O-NE1 3.18Å
269D98.9Very high98.8Very high7 Ų728.7 Ų28.74%0.03715%0.145CC..  trans-154.3130.4-179.5162.8-8.7000108.1Y260 C271 Y272 K311 H321Y260-D269 PolarHBondContact O-N 3.03Å; D269-C271 VanDerWaalsContact CG-SG 3.56Å; D269-C271 PolarHBondContact O-N 2.75Å; D269-C271 VanDerWaalsContact O-N 3.08Å; D269-C271 PolarHBondContact OD1-N 3.41Å; D269-C271 PolarHBondContact OD1-SG 3.3Å; D269-Y272 HydrophobicContact CB-CD2 3.68Å; D269-Y272 HydrophobicContact CB-CE2 3.82Å; D269-Y272 PolarHBondContact O-N 3.29Å; D269-K311 HydrophobicContact CB-CD 4.06Å; D269-K311 HydrophobicContact CB-CG 3.76Å; D269-K311 VanDerWaalsContact OD2-CD 3.28Å; D269-K311 WeakPolarHBondContact OD2-CD 3.33Å; D269-K311 WeakPolarHBondContact OD2-CE 3.48Å; D269-K311 IonicContact OD2-NZ 3.79Å; D269-K311 PolarHBondContact OD2-NZ 3.08Å; D269-H321 IonicContact OD1-CD2 2.73Å; D269-H321 PolarHBondContact OD1-CD2 3.17Å; D269-H321 IonicContact OD1-NE2 2.75Å; D269-H321 PolarHBondContact OD1-NE2 2.94Å; D269-H321 IonicContact OD2-NE2 3.51Å
270T98.9Very high98.8Very high0 Ų028.7 Ų28.70%015%0.145CC..THydrogen-bonded Turntrans-50.9-36-172.8-630000113.5Y272 S273 I298 T301 F309 A310 K311T270-Y272 PolarHBondContact O-N 3.47Å; T270-S273 VanDerWaalsContact O-CB 3.27Å; T270-S273 WeakPolarHBondContact O-CB 3.4Å; T270-S273 PolarHBondContact O-N 3.02Å; T270-S273 VanDerWaalsContact O-N 3.12Å; T270-S273 PolarHBondContact O-OG 2.75Å; T270-I298 HydrophobicContact CG2-CG2 4.23Å; T270-T301 WeakPolarHBondContact OG1-CB 3.27Å; T270-T301 WeakPolarHBondContact OG1-CG2 3.28Å; T270-T301 PolarHBondContact OG1-OG1 2.61Å; T270-F309 HydrophobicContact CG2-CB 4.39Å; T270-A310 VanDerWaalsContact CB-O 3.23Å; T270-A310 WeakPolarHBondContact CB-O 3.43Å; T270-A310 PolarHBondContact OG1-O 3.31Å; T270-K311 PolarHBondContact N-O 3.02Å; T270-K311 VanDerWaalsContact N-O 3.11Å; T270-K311 PolarHBondContact OG1-O 3.47Å
271C98.8Very high98.8Very high7 Ų731.8 Ų31.85%0.04716%0.158CC..THydrogen-bonded Turntrans-65.9-25.6-177.470.60000112.9D269 S273 F274 W275 L320 F324D269-C271 VanDerWaalsContact CG-SG 3.56Å; D269-C271 PolarHBondContact O-N 2.75Å; D269-C271 VanDerWaalsContact O-N 3.08Å; D269-C271 PolarHBondContact OD1-N 3.41Å; D269-C271 PolarHBondContact OD1-SG 3.3Å; C271-S273 PolarHBondContact O-N 3.39Å; C271-F274 PolarHBondContact O-N 2.55Å; C271-F274 VanDerWaalsContact O-N 3.08Å; C271-W275 VanDerWaalsContact C-CD1 3.46Å; C271-W275 PolarHBondContact O-N 2.84Å; C271-L320 HydrophobicContact CB-CD2 3.95Å; C271-F324 HydrophobicContact CB-CB 3.98Å; C271-F324 HydrophobicContact CB-CD2 4.18Å; C271-F324 HydrophobicContact CB-CG 4.4Å
272Y98.9Very high98.8Very high31 Ų3132.7 Ų32.712%0.12216%0.163CC..Hα-helixtrans-72.6-16.6177.9-66.7-68.6000113.6H219 G262 D269 T270 F274 W275 V276 G277H219-Y272 AromaticContact CE1-CE1 3.66Å; H219-Y272 AromaticContact CE1-CZ 3.68Å; H219-Y272 PolarHBondContact CE1-OH 3.12Å; H219-Y272 PolarHBondContact NE2-OH 3.25Å; G262-Y272 VanDerWaalsContact N-CD2 3.35Å; D269-Y272 HydrophobicContact CB-CD2 3.68Å; D269-Y272 HydrophobicContact CB-CE2 3.82Å; D269-Y272 PolarHBondContact O-N 3.29Å; T270-Y272 PolarHBondContact O-N 3.47Å; Y272-F274 PolarHBondContact O-N 2.85Å; Y272-W275 HydrophobicContact CD1-CB 3.95Å; Y272-W275 AromaticContact CD1-CD1 3.99Å; Y272-W275 HydrophobicContact CD1-CG 4.32Å; Y272-W275 PolarHBondContact O-N 3.07Å; Y272-V276 HydrophobicContact CD1-CG2 4.16Å; Y272-V276 WeakPolarHBondContact O-CB 3.37Å; Y272-V276 PolarHBondContact O-N 3.31Å; Y272-G277 PolarHBondContact O-N 2.94Å
273S98.9Very high98.8Very high0 Ų033 Ų330%016%0.164CC..Hα-helixtrans-59.1-29.4168.4-56.70000111.4T270 C271 G277 N294T270-S273 VanDerWaalsContact O-CB 3.27Å; T270-S273 WeakPolarHBondContact O-CB 3.4Å; T270-S273 PolarHBondContact O-N 3.02Å; T270-S273 VanDerWaalsContact O-N 3.12Å; T270-S273 PolarHBondContact O-OG 2.75Å; C271-S273 PolarHBondContact O-N 3.39Å; S273-G277 WeakPolarHBondContact O-CA 3.27Å; S273-N294 PolarHBondContact OG-OD1 2.78Å
274F98.9Very high98.9Very high0 Ų036.3 Ų36.30%018%0.181CC..Hα-helixtrans-87.6-56.3165.5179.1-100.2000112.5F224 C271 Y272 V276 G277 A278 F324 C327 L331 V340 N345F224-F274 HydrophobicContact CD2-CE1 4.5Å; F224-F274 AromaticContact CE2-CE1 3.73Å; F224-F274 HydrophobicContact CE2-CE1 3.73Å; F224-F274 AromaticContact CE2-CZ 3.96Å; F224-F274 HydrophobicContact CE2-CZ 3.96Å; F224-F274 AromaticContact CZ-CE1 3.75Å; F224-F274 HydrophobicContact CZ-CE1 3.75Å; F224-F274 HydrophobicContact CZ-CZ 4.07Å; C271-F274 PolarHBondContact O-N 2.55Å; C271-F274 VanDerWaalsContact O-N 3.08Å; Y272-F274 PolarHBondContact O-N 2.85Å; F274-V276 PolarHBondContact O-N 3.33Å; F274-G277 PolarHBondContact O-N 3.31Å; F274-A278 HydrophobicContact CD2-CB 4.05Å; F274-A278 HydrophobicContact CE1-CB 4.46Å; F274-A278 HydrophobicContact CE2-CB 3.84Å; F274-A278 HydrophobicContact CG-CB 4.49Å; F274-A278 HydrophobicContact CZ-CB 4.06Å; F274-A278 WeakPolarHBondContact O-CA 3.31Å; F274-A278 WeakPolarHBondContact O-CB 3.46Å; F274-A278 PolarHBondContact O-N 2.84Å; F274-F324 HydrophobicContact CB-CB 4.06Å; F274-F324 HydrophobicContact CB-CD1 3.74Å; F274-F324 HydrophobicContact CB-CG 4.28Å; F274-F324 AromaticContact CD1-CD1 3.24Å; F274-F324 HydrophobicContact CD1-CD1 3.24Å; F274-F324 AromaticContact CD1-CE1 3.31Å; F274-F324 HydrophobicContact CD1-CE1 3.31Å; F274-F324 HydrophobicContact CD1-CG 4.33Å; F274-F324 HydrophobicContact CD1-CZ 4.43Å; F274-F324 HydrophobicContact CD2-CD1 4.49Å; F274-F324 AromaticContact CE1-CD1 3.93Å; F274-F324 HydrophobicContact CE1-CD1 3.93Å; F274-F324 AromaticContact CE1-CE1 3.55Å; F274-F324 HydrophobicContact CE1-CE1 3.55Å; F274-F324 AromaticContact CG-CD1 3.56Å; F274-F324 HydrophobicContact CG-CD1 3.56Å; F274-F324 HydrophobicContact CG-CE1 4.08Å; F274-F324 HydrophobicContact CZ-CE1 4.47Å; F274-C327 HydrophobicContact CB-CB 4.24Å; F274-C327 HydrophobicContact CD2-CB 3.38Å; F274-C327 HydrophobicContact CE2-CB 3.94Å; F274-C327 HydrophobicContact CG-CB 3.98Å; F274-L331 HydrophobicContact CD2-CD1 4.45Å; F274-V340 HydrophobicContact CE2-CG1 4.29Å; F274-V340 HydrophobicContact CE2-CG2 4.03Å; F274-N345 HydrophobicContact CE1-CB 4.48Å; F274-N345 HydrophobicContact CZ-CB 4.04Å; F274-N345 WeakPolarHBondContact CZ-OD1 3.44Å
275W98.9Very high98.9Very high49 Ų4935.2 Ų35.219%0.18617%0.172CC..Hα-helixtrans-55.2-50.2-172.2-61.6115.3000112.5F224 C271 Y272 T279 F324F224-W275 HydrophobicContact CB-CB 4.4Å; F224-W275 HydrophobicContact CB-CE3 3.93Å; F224-W275 WeakPolarHBondContact CB-O 3.39Å; F224-W275 AromaticContact CD1-CE3 3.28Å; F224-W275 HydrophobicContact CD1-CE3 3.28Å; F224-W275 AromaticContact CD1-CZ3 3.3Å; F224-W275 HydrophobicContact CD1-CZ3 3.3Å; F224-W275 HydrophobicContact CD2-CE3 4.26Å; F224-W275 AromaticContact CE1-CE3 3.78Å; F224-W275 HydrophobicContact CE1-CE3 3.78Å; F224-W275 AromaticContact CE1-CZ3 3.44Å; F224-W275 HydrophobicContact CE1-CZ3 3.44Å; F224-W275 VanDerWaalsContact CE1-CZ3 3.44Å; F224-W275 AromaticContact CG-CE3 3.55Å; F224-W275 HydrophobicContact CG-CE3 3.55Å; F224-W275 HydrophobicContact CG-CZ3 4.08Å; F224-W275 HydrophobicContact CZ-CE3 4.43Å; F224-W275 HydrophobicContact CZ-CZ3 4.3Å; C271-W275 VanDerWaalsContact C-CD1 3.46Å; C271-W275 PolarHBondContact O-N 2.84Å; Y272-W275 HydrophobicContact CD1-CB 3.95Å; Y272-W275 AromaticContact CD1-CD1 3.99Å; Y272-W275 HydrophobicContact CD1-CG 4.32Å; Y272-W275 PolarHBondContact O-N 3.07Å; W275-T279 PolarHBondContact O-N 3.5Å; W275-T279 PolarHBondContact O-OG1 3.35Å; W275-F324 AromaticContact CE2-CE2 3.94Å; W275-F324 AromaticContact CE2-CZ 3.99Å; W275-F324 HydrophobicContact CH2-CE1 4.34Å; W275-F324 HydrophobicContact CH2-CE2 4.16Å; W275-F324 AromaticContact CH2-CZ 3.64Å; W275-F324 HydrophobicContact CH2-CZ 3.64Å; W275-F324 HydrophobicContact CZ2-CD2 4.26Å; W275-F324 HydrophobicContact CZ2-CE1 4.16Å; W275-F324 AromaticContact CZ2-CE2 3.42Å; W275-F324 HydrophobicContact CZ2-CE2 3.42Å; W275-F324 VanDerWaalsContact CZ2-CE2 3.42Å; W275-F324 AromaticContact CZ2-CZ 3.35Å; W275-F324 HydrophobicContact CZ2-CZ 3.35Å; W275-F324 HydrophobicContact CZ3-CZ 4.46Å
276V98.9Very high98.9Very high1 Ų127.4 Ų27.41%0.00613%0.13CC..Hα-helixtrans-79.9-41.6177.9-1770000111.1C252 R255 Y260 Y272 F274 A278 T279 L280C252-V276 HydrophobicContact CB-CG1 4.26Å; C252-V276 WeakPolarHBondContact O-CG1 3.13Å; R255-V276 HydrophobicContact CB-CG1 3.92Å; R255-V276 HydrophobicContact CB-CG2 4.19Å; R255-V276 HydrophobicContact CG-CG1 3.94Å; R255-V276 HydrophobicContact CG-CG2 4.08Å; Y260-V276 HydrophobicContact CD1-CB 3.89Å; Y260-V276 HydrophobicContact CD1-CG1 3.73Å; Y260-V276 HydrophobicContact CE1-CG1 4.07Å; Y260-V276 HydrophobicContact CG-CB 4.32Å; Y272-V276 HydrophobicContact CD1-CG2 4.16Å; Y272-V276 WeakPolarHBondContact O-CB 3.37Å; Y272-V276 PolarHBondContact O-N 3.31Å; F274-V276 PolarHBondContact O-N 3.33Å; V276-A278 PolarHBondContact O-N 2.64Å; V276-T279 WeakPolarHBondContact O-CB 3.32Å; V276-T279 PolarHBondContact O-N 3.08Å; V276-L280 HydrophobicContact CG1-CD1 3.97Å; V276-L280 HydrophobicContact CG1-CG 4.28Å; V276-L280 WeakPolarHBondContact O-CG 3.36Å; V276-L280 PolarHBondContact O-N 3.45Å
277G98.9Very high98.9Very high0 Ų028.3 Ų28.30%014%0.136CC..Hα-helixtrans-58.6-45.7179.800000113Y272 S273 F274 L280 K281 L331Y272-G277 PolarHBondContact O-N 2.94Å; S273-G277 WeakPolarHBondContact O-CA 3.27Å; F274-G277 PolarHBondContact O-N 3.31Å; G277-L280 CarbonylContact O-C 3.57Å; G277-L280 WeakPolarHBondContact O-CB 3.27Å; G277-L280 PolarHBondContact O-N 2.68Å; G277-K281 PolarHBondContact O-N 2.99Å; G277-L331 VanDerWaalsContact C-CD1 3.44Å
278A98.9Very high98.9Very high0 Ų032.7 Ų32.70%014%0.144CC..Hα-helixtrans-65.3-39.317700000111.1F224 F274 V276 L280 K281 L282 L331 P342F224-A278 HydrophobicContact CD2-CB 4.03Å; F224-A278 HydrophobicContact CE2-CB 3.81Å; F274-A278 HydrophobicContact CD2-CB 4.05Å; F274-A278 HydrophobicContact CE1-CB 4.46Å; F274-A278 HydrophobicContact CE2-CB 3.84Å; F274-A278 HydrophobicContact CG-CB 4.49Å; F274-A278 HydrophobicContact CZ-CB 4.06Å; F274-A278 WeakPolarHBondContact O-CA 3.31Å; F274-A278 WeakPolarHBondContact O-CB 3.46Å; F274-A278 PolarHBondContact O-N 2.84Å; V276-A278 PolarHBondContact O-N 2.64Å; A278-L280 VanDerWaalsContact C-N 3.35Å; A278-L280 PolarHBondContact O-N 3.36Å; A278-K281 WeakPolarHBondContact O-CB 3.42Å; A278-K281 PolarHBondContact O-N 3.35Å; A278-K281 VanDerWaalsContact O-N 3.12Å; A278-L282 WeakPolarHBondContact O-CG 3.39Å; A278-L282 PolarHBondContact O-N 3.32Å; A278-L331 HydrophobicContact CB-CD1 4.28Å; A278-L331 VanDerWaalsContact N-CD1 3.34Å; A278-P342 HydrophobicContact CB-CB 4.04Å
279T98.9Very high98.9Very high1 Ų132.5 Ų32.51%0.00614%0.143CC..Hα-helixtrans-58.3-47.1171.6-56.10000111.1T223 F224 I227 W275 V276 K281 L282 L283T223-T279 HydrophobicContact CG2-CG2 4.07Å; F224-T279 WeakPolarHBondContact CA-OG1 3.46Å; F224-T279 WeakPolarHBondContact CB-OG1 3.43Å; I227-T279 HydrophobicContact CB-CG2 4.17Å; I227-T279 HydrophobicContact CG1-CG2 4.07Å; I227-T279 HydrophobicContact CG2-CG2 4.23Å; W275-T279 PolarHBondContact O-N 3.5Å; W275-T279 PolarHBondContact O-OG1 3.35Å; V276-T279 WeakPolarHBondContact O-CB 3.32Å; V276-T279 PolarHBondContact O-N 3.08Å; T279-K281 VanDerWaalsContact C-N 3.27Å; T279-K281 PolarHBondContact O-N 2.98Å; T279-L282 PolarHBondContact O-N 3.38Å; T279-L283 HydrophobicContact CG2-CD1 3.97Å; T279-L283 WeakPolarHBondContact O-CB 3.22Å; T279-L283 VanDerWaalsContact O-CG 3.28Å; T279-L283 WeakPolarHBondContact O-CG 3.49Å; T279-L283 PolarHBondContact O-N 3.48Å
280L98.9Very high98.9Very high0 Ų035.7 Ų35.70%016%0.16CC..Hα-helixtrans-63.6-32.6176-69.4168.4000112.4C252 I253 Y260 V276 G277 A278 L283 K284 I285 F286 T289C252-L280 HydrophobicContact CB-CD2 3.51Å; C252-L280 HydrophobicContact CB-CG 3.98Å; I253-L280 HydrophobicContact CB-CD2 4.09Å; Y260-L280 HydrophobicContact CE1-CD1 3.86Å; V276-L280 HydrophobicContact CG1-CD1 3.97Å; V276-L280 HydrophobicContact CG1-CG 4.28Å; V276-L280 WeakPolarHBondContact O-CG 3.36Å; V276-L280 PolarHBondContact O-N 3.45Å; G277-L280 CarbonylContact O-C 3.57Å; G277-L280 WeakPolarHBondContact O-CB 3.27Å; G277-L280 PolarHBondContact O-N 2.68Å; A278-L280 VanDerWaalsContact C-N 3.35Å; A278-L280 PolarHBondContact O-N 3.36Å; L280-L283 CarbonylContact O-C 3.49Å; L280-L283 PolarHBondContact O-N 2.79Å; L280-K284 PolarHBondContact O-N 3.38Å; L280-K284 VanDerWaalsContact O-N 3.11Å; L280-I285 HydrophobicContact CB-CG1 4.45Å; L280-I285 HydrophobicContact CD2-CD1 3.4Å; L280-I285 VanDerWaalsContact CD2-CD1 3.4Å; L280-I285 HydrophobicContact CD2-CG1 3.66Å; L280-I285 PolarHBondContact O-N 2.96Å; L280-F286 HydrophobicContact CB-CB 3.87Å; L280-F286 HydrophobicContact CB-CD2 4.08Å; L280-F286 HydrophobicContact CB-CG 4.48Å; L280-F286 HydrophobicContact CD1-CD2 4.41Å; L280-F286 PolarHBondContact O-N 2.96Å; L280-T289 HydrophobicContact CD1-CG2 3.83Å
281K98.9Very high98.9Very high66 Ų6639.1 Ų39.129%0.28718%0.175SC..Hα-helixtrans-67.5-45.7175.4-166.576.4170.1-163.80110.5G277 A278 T279 L283 K284 F286 L331 P342G277-K281 PolarHBondContact O-N 2.99Å; A278-K281 WeakPolarHBondContact O-CB 3.42Å; A278-K281 PolarHBondContact O-N 3.35Å; A278-K281 VanDerWaalsContact O-N 3.12Å; T279-K281 VanDerWaalsContact C-N 3.27Å; T279-K281 PolarHBondContact O-N 2.98Å; K281-L283 VanDerWaalsContact C-N 3.28Å; K281-L283 PolarHBondContact O-N 3.35Å; K281-K284 PolarHBondContact O-N 2.98Å; K281-F286 HydrophobicContact CB-CB 4.23Å; K281-F286 HydrophobicContact CD-CB 4.2Å; K281-F286 HydrophobicContact CD-CD1 4.21Å; K281-L331 HydrophobicContact CB-CD2 4.07Å; K281-L331 HydrophobicContact CD-CD2 4.38Å; K281-L331 HydrophobicContact CG-CD2 4.06Å; K281-P342 HydrophobicContact CB-CB 4.2Å; K281-P342 HydrophobicContact CB-CG 4.47Å; K281-P342 HydrophobicContact CG-CB 4.25Å; K281-P342 HydrophobicContact CG-CG 4.1Å
282L98.9Very high98.9Very high27 Ų2744 Ų4414%0.14120%0.197CC..Hα-helixtrans-61.3-36.7174.2-66.4173.1000112I227 A228 C231 A278 T279 K284 P342 A343I227-L282 HydrophobicContact CG2-CB 4.16Å; I227-L282 HydrophobicContact CG2-CD1 4.13Å; A228-L282 HydrophobicContact CB-CD1 4Å; C231-L282 HydrophobicContact CB-CD1 4.48Å; C231-L282 HydrophobicContact CB-CD2 4.19Å; A278-L282 WeakPolarHBondContact O-CG 3.39Å; A278-L282 PolarHBondContact O-N 3.32Å; T279-L282 PolarHBondContact O-N 3.38Å; L282-K284 PolarHBondContact O-N 3.28Å; L282-P342 HydrophobicContact CD2-CB 4.08Å; L282-P342 HydrophobicContact CD2-CG 3.75Å; L282-P342 HydrophobicContact CG-CB 4.14Å; L282-P342 HydrophobicContact CG-CG 4.3Å; L282-A343 HydrophobicContact CD1-CB 4.18Å; L282-A343 HydrophobicContact CD2-CB 3.88Å
283L98.9Very high98.8Very high8 Ų848.1 Ų48.14%0.04222%0.216CC..THydrogen-bonded Turntrans-82.76.2175.8-63.4173.3000114I227 L236 L245 I248 K249 T279 L280 K281 I285I227-L283 HydrophobicContact CG2-CD2 4.4Å; I227-L283 HydrophobicContact CG2-CG 4.46Å; L236-L283 HydrophobicContact CD2-CD2 4.21Å; L245-L283 HydrophobicContact CD2-CD2 3.94Å; I248-L283 HydrophobicContact CG2-CD1 3.92Å; K249-L283 WeakPolarHBondContact CE-O 3.36Å; K249-L283 HydrophobicContact CG-CB 3.91Å; K249-L283 HydrophobicContact CG-CD1 3.97Å; K249-L283 HydrophobicContact CG-CG 4.38Å; T279-L283 HydrophobicContact CG2-CD1 3.97Å; T279-L283 WeakPolarHBondContact O-CB 3.22Å; T279-L283 VanDerWaalsContact O-CG 3.28Å; T279-L283 WeakPolarHBondContact O-CG 3.49Å; T279-L283 PolarHBondContact O-N 3.48Å; L280-L283 CarbonylContact O-C 3.49Å; L280-L283 PolarHBondContact O-N 2.79Å; K281-L283 VanDerWaalsContact C-N 3.28Å; K281-L283 PolarHBondContact O-N 3.35Å; L283-I285 HydrophobicContact CB-CG1 4.2Å; L283-I285 PolarHBondContact O-N 3.4Å
284K98.8Very high98.8Very high150 Ų15048.1 Ų48.165%0.65222%0.216SC*.THydrogen-bonded Turntrans58.629175.3-53.3173.5-174.21670114.7L280 K281 L282 Q287L280-K284 PolarHBondContact O-N 3.38Å; L280-K284 VanDerWaalsContact O-N 3.11Å; K281-K284 PolarHBondContact O-N 2.98Å; L282-K284 PolarHBondContact O-N 3.28Å; K284-Q287 PolarHBondContact O-NE2 2.94Å; K284-Q287 VanDerWaalsContact O-NE2 3.09Å
285I98.8Very high98.8Very high22 Ų2249.7 Ų49.711%0.11322%0.221CC..  trans-127.82.8179.760.4154.4000114.3K249 I253 L280 L283 Q287 Y288K249-I285 HydrophobicContact CB-CD1 3.5Å; K249-I285 VanDerWaalsContact CB-CD1 3.5Å; K249-I285 HydrophobicContact CB-CG1 4.5Å; K249-I285 HydrophobicContact CD-CD1 4.21Å; K249-I285 HydrophobicContact CD-CG1 4.48Å; K249-I285 HydrophobicContact CD-CG2 3.99Å; K249-I285 HydrophobicContact CG-CD1 3.57Å; K249-I285 HydrophobicContact CG-CG1 4.05Å; K249-I285 HydrophobicContact CG-CG2 4.47Å; I253-I285 HydrophobicContact CB-CD1 4.47Å; L280-I285 HydrophobicContact CB-CG1 4.45Å; L280-I285 HydrophobicContact CD2-CD1 3.4Å; L280-I285 VanDerWaalsContact CD2-CD1 3.4Å; L280-I285 HydrophobicContact CD2-CG1 3.66Å; L280-I285 PolarHBondContact O-N 2.96Å; L283-I285 HydrophobicContact CB-CG1 4.2Å; L283-I285 PolarHBondContact O-N 3.4Å; I285-Q287 PolarHBondContact O-N 3.43Å; I285-Y288 HydrophobicContact CB-CD2 3.89Å; I285-Y288 HydrophobicContact CB-CE2 4.4Å; I285-Y288 HydrophobicContact CG2-CD2 4Å; I285-Y288 HydrophobicContact CG2-CE2 4.07Å; I285-Y288 PolarHBondContact O-N 3.22Å
286F98.9Very high98.8Very high2 Ų251.1 Ų51.11%0.00923%0.233CC..G310 helixtrans-57.5-34174-175.6-109.8000112.5L280 K281 Y288 T289 F291 L331 M332L280-F286 HydrophobicContact CB-CB 3.87Å; L280-F286 HydrophobicContact CB-CD2 4.08Å; L280-F286 HydrophobicContact CB-CG 4.48Å; L280-F286 HydrophobicContact CD1-CD2 4.41Å; L280-F286 PolarHBondContact O-N 2.96Å; K281-F286 HydrophobicContact CB-CB 4.23Å; K281-F286 HydrophobicContact CD-CB 4.2Å; K281-F286 HydrophobicContact CD-CD1 4.21Å; F286-Y288 PolarHBondContact O-N 3.41Å; F286-T289 HydrophobicContact CD2-CG2 4.15Å; F286-T289 WeakPolarHBondContact O-CB 3.45Å; F286-T289 WeakPolarHBondContact O-CG2 3.45Å; F286-T289 PolarHBondContact O-N 3.03Å; F286-T289 PolarHBondContact O-OG1 3.11Å; F286-F291 AromaticContact CD1-CE1 3.66Å; F286-F291 HydrophobicContact CD1-CE1 3.66Å; F286-F291 AromaticContact CD1-CZ 3.74Å; F286-F291 HydrophobicContact CD1-CZ 3.74Å; F286-F291 HydrophobicContact CE1-CD1 4.19Å; F286-F291 AromaticContact CE1-CE1 3.28Å; F286-F291 HydrophobicContact CE1-CE1 3.28Å; F286-F291 HydrophobicContact CE1-CE2 4.48Å; F286-F291 AromaticContact CE1-CZ 3.47Å; F286-F291 HydrophobicContact CE1-CZ 3.47Å; F286-F291 VanDerWaalsContact CE1-CZ 3.47Å; F286-F291 HydrophobicContact CE2-CE1 4.41Å; F286-F291 HydrophobicContact CG-CE1 4.36Å; F286-F291 HydrophobicContact CZ-CD1 4.26Å; F286-F291 AromaticContact CZ-CE1 3.72Å; F286-F291 HydrophobicContact CZ-CE1 3.72Å; F286-F291 HydrophobicContact CZ-CZ 4.33Å; F286-F291 WeakPolarHBondContact O-CE1 3.37Å; F286-L331 HydrophobicContact CD1-CB 4.32Å; F286-L331 HydrophobicContact CE1-CB 3.66Å; F286-L331 VanDerWaalsContact CE1-O 3.29Å; F286-L331 WeakPolarHBondContact CE1-O 3.35Å; F286-L331 HydrophobicContact CZ-CB 3.86Å; F286-M332 HydrophobicContact CE1-CG 3.73Å; F286-M332 HydrophobicContact CZ-CG 3.63Å; F286-M332 HydrophobicContact CZ-SD 4.4Å
287Q98.7Very high98.8Very high129 Ų12951.8 Ų51.860%0.60324%0.235SC*.G310 helixtrans-58-14.8175.265.2-166.8-20.300114.9K284 I285K284-Q287 PolarHBondContact O-NE2 2.94Å; K284-Q287 VanDerWaalsContact O-NE2 3.09Å; I285-Q287 PolarHBondContact O-N 3.43Å
288Y98.9Very high98.8Very high167 Ų16751.8 Ų51.866%0.65524%0.235SC*.G310 helixtrans-98.36.4177.4-54.5-49.1000113.4I285 F286I285-Y288 HydrophobicContact CB-CD2 3.89Å; I285-Y288 HydrophobicContact CB-CE2 4.4Å; I285-Y288 HydrophobicContact CG2-CD2 4Å; I285-Y288 HydrophobicContact CG2-CE2 4.07Å; I285-Y288 PolarHBondContact O-N 3.22Å; F286-Y288 PolarHBondContact O-N 3.41Å
289T98.9Very high98.8Very high16 Ų1651.9 Ų51.910%0.09824%0.236CC..SBendtrans-89.3165179.165.20000111.5I253 Y260 L280 F286 F291I253-T289 HydrophobicContact CD1-CG2 4.42Å; I253-T289 HydrophobicContact CG1-CG2 4.24Å; Y260-T289 VanDerWaalsContact OH-CB 3.3Å; Y260-T289 WeakPolarHBondContact OH-CB 3.47Å; Y260-T289 VanDerWaalsContact OH-CG2 3.27Å; Y260-T289 WeakPolarHBondContact OH-CG2 3.13Å; L280-T289 HydrophobicContact CD1-CG2 3.83Å; F286-T289 HydrophobicContact CD2-CG2 4.15Å; F286-T289 WeakPolarHBondContact O-CB 3.45Å; F286-T289 WeakPolarHBondContact O-CG2 3.45Å; F286-T289 PolarHBondContact O-N 3.03Å; F286-T289 PolarHBondContact O-OG1 3.11Å; T289-F291 PolarHBondContact O-N 2.94Å; T289-F291 WeakPolarHBondContact OG1-CD1 3.5Å; T289-F291 WeakPolarHBondContact OG1-CE1 3.36Å
290N98.8Very high98.7Very high73 Ų7353.9 Ų53.939%0.3925%0.25SC..  trans-84.699.9177.1-171.8-52.1000110.4Q256 E292 K293 N294Q256-N290 PolarHBondContact NE2-O 3.39Å; N290-E292 PolarHBondContact OD1-N 3.25Å; N290-K293 HydrophobicContact CB-CB 4.46Å; N290-K293 WeakPolarHBondContact OD1-CB 3.38Å; N290-K293 WeakPolarHBondContact OD1-CG 3.43Å; N290-K293 PolarHBondContact OD1-N 3.34Å; N290-N294 PolarHBondContact O-N 2.99Å
291F98.8Very high98.7Very high72 Ų7254.1 Ų54.132%0.31625%0.251SS..Hα-helixtrans-66.1-45.3-177.2-76.19.1000112.7F286 T289 K293 N294 R295 M332F286-F291 AromaticContact CD1-CE1 3.66Å; F286-F291 HydrophobicContact CD1-CE1 3.66Å; F286-F291 AromaticContact CD1-CZ 3.74Å; F286-F291 HydrophobicContact CD1-CZ 3.74Å; F286-F291 HydrophobicContact CE1-CD1 4.19Å; F286-F291 AromaticContact CE1-CE1 3.28Å; F286-F291 HydrophobicContact CE1-CE1 3.28Å; F286-F291 HydrophobicContact CE1-CE2 4.48Å; F286-F291 AromaticContact CE1-CZ 3.47Å; F286-F291 HydrophobicContact CE1-CZ 3.47Å; F286-F291 VanDerWaalsContact CE1-CZ 3.47Å; F286-F291 HydrophobicContact CE2-CE1 4.41Å; F286-F291 HydrophobicContact CG-CE1 4.36Å; F286-F291 HydrophobicContact CZ-CD1 4.26Å; F286-F291 AromaticContact CZ-CE1 3.72Å; F286-F291 HydrophobicContact CZ-CE1 3.72Å; F286-F291 HydrophobicContact CZ-CZ 4.33Å; F286-F291 WeakPolarHBondContact O-CE1 3.37Å; T289-F291 PolarHBondContact O-N 2.94Å; T289-F291 WeakPolarHBondContact OG1-CD1 3.5Å; T289-F291 WeakPolarHBondContact OG1-CE1 3.36Å; F291-K293 PolarHBondContact O-N 2.8Å; F291-N294 PolarHBondContact O-N 3.21Å; F291-N294 VanDerWaalsContact O-N 3.13Å; F291-R295 WeakPolarHBondContact O-CB 3.41Å; F291-R295 PolarHBondContact O-N 3.43Å; F291-M332 HydrophobicContact CB-CG 4.33Å; F291-M332 HydrophobicContact CB-SD 3.79Å; F291-M332 HydrophobicContact CD1-CG 3.9Å; F291-M332 HydrophobicContact CD1-SD 4.04Å; F291-M332 HydrophobicContact CD2-CB 3.95Å; F291-M332 HydrophobicContact CD2-CG 3.9Å; F291-M332 HydrophobicContact CD2-SD 4.47Å; F291-M332 HydrophobicContact CE1-CG 4.11Å; F291-M332 HydrophobicContact CE2-CB 4.16Å; F291-M332 HydrophobicContact CE2-CG 4.13Å; F291-M332 HydrophobicContact CG-CB 4.3Å; F291-M332 HydrophobicContact CG-CG 3.79Å; F291-M332 HydrophobicContact CG-SD 3.87Å; F291-M332 HydrophobicContact CZ-CG 4.23Å
292E98.4Very high98.7Very high110 Ų11051.6 Ų51.651%0.51424%0.241SC..Hα-helixtrans-57.6-48.5-177.2-70.2-59.5142.900112.4N290 N294 R295 N296N290-E292 PolarHBondContact OD1-N 3.25Å; E292-N294 VanDerWaalsContact C-N 3.31Å; E292-N294 PolarHBondContact O-N 3.46Å; E292-R295 PolarHBondContact O-N 3.26Å; E292-N296 VanDerWaalsContact O-CB 3.28Å; E292-N296 WeakPolarHBondContact O-CB 3.46Å; E292-N296 PolarHBondContact O-N 3.2Å; E292-N296 PolarHBondContact O-ND2 3.33Å
293K98.5Very high98.7Very high117 Ų11752.2 Ų52.251%0.50924%0.244SC..Hα-helixtrans-62-40177.6-73.5-169.7174-1640112.3N258 N290 F291 Y297N258-K293 CarbonylContact C-O 3.59Å; N258-K293 CarbonylContact O-C 3.6Å; N258-K293 VanDerWaalsContact O-O 3.07Å; N290-K293 HydrophobicContact CB-CB 4.46Å; N290-K293 WeakPolarHBondContact OD1-CB 3.38Å; N290-K293 WeakPolarHBondContact OD1-CG 3.43Å; N290-K293 PolarHBondContact OD1-N 3.34Å; F291-K293 PolarHBondContact O-N 2.8Å; K293-Y297 WeakPolarHBondContact O-CB 3.2Å; K293-Y297 PolarHBondContact O-N 2.94Å
294N98.9Very high98.7Very high0 Ų057 Ų570%026%0.262CS..Hα-helixtrans-68.1-49.1179.7-175.940.8000111.4N258 Y260 S273 N290 F291 E292 N296 Y297 I298 M332N258-N294 WeakPolarHBondContact O-CA 3.32Å; N258-N294 PolarHBondContact O-N 2.99Å; N258-N294 VanDerWaalsContact O-N 3.1Å; Y260-N294 WeakPolarHBondContact CD2-OD1 3.42Å; Y260-N294 HydrophobicContact CE2-CB 4.22Å; S273-N294 PolarHBondContact OG-OD1 2.78Å; N290-N294 PolarHBondContact O-N 2.99Å; F291-N294 PolarHBondContact O-N 3.21Å; F291-N294 VanDerWaalsContact O-N 3.13Å; E292-N294 VanDerWaalsContact C-N 3.31Å; E292-N294 PolarHBondContact O-N 3.46Å; N294-N296 VanDerWaalsContact C-N 3.33Å; N294-N296 PolarHBondContact O-N 3.36Å; N294-Y297 PolarHBondContact O-N 2.79Å; N294-I298 WeakPolarHBondContact O-CG1 3.32Å; N294-I298 PolarHBondContact O-N 3.1Å; N294-M332 HydrophobicContact CB-CE 4.41Å; N294-M332 HydrophobicContact CB-SD 4.01Å; N294-M332 WeakPolarHBondContact ND2-CE 3.46Å; N294-M332 PolarHBondContact ND2-SD 3.47Å; N294-M332 VanDerWaalsContact ND2-SD 3.41Å
295R98.6Very high98.6Very high33 Ų3356.6 Ų56.613%0.12527%0.266CS..Hα-helixtrans-56-48.4175.9-174.2-174.3-178.3-81.6-5.5110.9F291 E292 Y297 I298 L299 L329 M332 E334F291-R295 WeakPolarHBondContact O-CB 3.41Å; F291-R295 PolarHBondContact O-N 3.43Å; E292-R295 PolarHBondContact O-N 3.26Å; R295-Y297 VanDerWaalsContact C-N 3.34Å; R295-Y297 PolarHBondContact O-N 2.64Å; R295-I298 PolarHBondContact O-N 2.97Å; R295-L299 HydrophobicContact CG-CD1 3.87Å; R295-L299 WeakPolarHBondContact O-CB 3.4Å; R295-L299 WeakPolarHBondContact O-CG 3.3Å; R295-L299 PolarHBondContact O-N 3.31Å; R295-L329 HydrophobicContact CG-CD2 3.86Å; R295-M332 HydrophobicContact CB-CE 3.82Å; R295-M332 HydrophobicContact CB-SD 4.42Å; R295-M332 HydrophobicContact CG-CE 4.48Å; R295-E334 WeakPolarHBondContact CD-OE2 3.36Å; R295-E334 IonicContact CZ-OE1 3.34Å; R295-E334 IonicContact CZ-OE2 3.48Å; R295-E334 IonicContact NE-OE1 3.64Å; R295-E334 IonicContact NE-OE2 2.69Å; R295-E334 PolarHBondContact NE-OE2 2.85Å; R295-E334 IonicContact NH2-OE1 2.71Å; R295-E334 PolarHBondContact NH2-OE1 3.47Å; R295-E334 IonicContact NH2-OE2 3.45Å; R295-E334 PolarHBondContact NH2-OE2 2.91Å
296N98.5Very high98.6Very high79 Ų7958.2 Ų58.242%0.42228%0.276SS..Hα-helixtrans-62.3-39.7179.3-69.8-16.7000112.3E292 N294 S300E292-N296 VanDerWaalsContact O-CB 3.28Å; E292-N296 WeakPolarHBondContact O-CB 3.46Å; E292-N296 PolarHBondContact O-N 3.2Å; E292-N296 PolarHBondContact O-ND2 3.33Å; N294-N296 VanDerWaalsContact C-N 3.33Å; N294-N296 PolarHBondContact O-N 3.36Å; N296-S300 WeakPolarHBondContact O-CB 3.39Å; N296-S300 PolarHBondContact O-N 2.97Å; N296-S300 PolarHBondContact O-OG 3Å
297Y98.8Very high98.5Very high16 Ų1658.1 Ų58.16%0.06328%0.276CS..Hα-helixtrans-65.9-43.8174.3177-93.6000112.4V268 K293 N294 R295 L299 S300 T301 K311V268-Y297 HydrophobicContact CB-CE1 4.31Å; V268-Y297 HydrophobicContact CB-CE2 4.13Å; V268-Y297 HydrophobicContact CG2-CD2 3.97Å; V268-Y297 HydrophobicContact CG2-CE1 4.26Å; V268-Y297 HydrophobicContact CG2-CE2 3.23Å; V268-Y297 VanDerWaalsContact CG2-CZ 3.41Å; V268-Y297 PolarHBondContact O-OH 2.73Å; K293-Y297 WeakPolarHBondContact O-CB 3.2Å; K293-Y297 PolarHBondContact O-N 2.94Å; N294-Y297 PolarHBondContact O-N 2.79Å; R295-Y297 VanDerWaalsContact C-N 3.34Å; R295-Y297 PolarHBondContact O-N 2.64Å; Y297-L299 VanDerWaalsContact C-N 3.34Å; Y297-L299 PolarHBondContact O-N 2.91Å; Y297-S300 PolarHBondContact O-N 3.22Å; Y297-S300 PolarHBondContact O-OG 3.28Å; Y297-T301 HydrophobicContact CE1-CG2 4.32Å; Y297-T301 WeakPolarHBondContact O-CG2 3.45Å; Y297-K311 PolarHBondContact OH-O 2.68Å
298I98.8Very high98.5Very high0 Ų052 Ų520%025%0.247CC..Hα-helixtrans-60-48.8177.3-64.1163.2000109.6T270 N294 R295 S300 T301 F309 L329 M332T270-I298 HydrophobicContact CG2-CG2 4.23Å; N294-I298 WeakPolarHBondContact O-CG1 3.32Å; N294-I298 PolarHBondContact O-N 3.1Å; R295-I298 PolarHBondContact O-N 2.97Å; I298-S300 VanDerWaalsContact C-N 3.31Å; I298-S300 PolarHBondContact O-N 3.4Å; I298-T301 PolarHBondContact O-N 2.9Å; I298-T301 PolarHBondContact O-OG1 3.16Å; I298-F309 HydrophobicContact CG2-CD1 4.01Å; I298-F309 HydrophobicContact CG2-CE1 3.76Å; I298-F309 HydrophobicContact CG2-CZ 4.31Å; I298-F309 VanDerWaalsContact O-CD1 3.3Å; I298-F309 WeakPolarHBondContact O-CD1 3.43Å; I298-F309 WeakPolarHBondContact O-CE1 3.49Å; I298-L329 HydrophobicContact CB-CD2 4.34Å; I298-L329 HydrophobicContact CD1-CD2 4.12Å; I298-L329 HydrophobicContact CD1-CG 4.2Å; I298-L329 HydrophobicContact CG2-CD1 4.07Å; I298-L329 HydrophobicContact CG2-CD2 4.23Å; I298-L329 HydrophobicContact CG2-CG 3.9Å; I298-M332 HydrophobicContact CD1-CE 3.95Å
299L98.7Very high98.5Very high2 Ų244 Ų441%0.0122%0.216CC..Hα-helixtrans-68.4-26.4-177.2-66.2174.5000113.6L18 F20 R295 Y297 T301 Q302 F309 L329L18-L299 HydrophobicContact CB-CB 3.99Å; L18-L299 HydrophobicContact CD1-CB 4.44Å; L18-L299 VanDerWaalsContact O-CD1 3.26Å; L18-L299 WeakPolarHBondContact O-CD1 3.31Å; F20-L299 HydrophobicContact CB-CD2 4.22Å; F20-L299 HydrophobicContact CD2-CD2 4.28Å; R295-L299 HydrophobicContact CG-CD1 3.87Å; R295-L299 WeakPolarHBondContact O-CB 3.4Å; R295-L299 WeakPolarHBondContact O-CG 3.3Å; R295-L299 PolarHBondContact O-N 3.31Å; Y297-L299 VanDerWaalsContact C-N 3.34Å; Y297-L299 PolarHBondContact O-N 2.91Å; L299-T301 PolarHBondContact O-N 3.39Å; L299-Q302 WeakPolarHBondContact O-CB 3.36Å; L299-Q302 PolarHBondContact O-N 2.61Å; L299-F309 HydrophobicContact CD2-CE1 4.23Å; L299-F309 HydrophobicContact CD2-CZ 4.34Å; L299-L329 HydrophobicContact CD2-CD1 4.13Å
300S98.5Very high98.5Very high42 Ų4243.3 Ų43.329%0.29421%0.212SC..Hα-helixtrans-70.7-14.6172690000113.3N296 Y297 I298 P313N296-S300 WeakPolarHBondContact O-CB 3.39Å; N296-S300 PolarHBondContact O-N 2.97Å; N296-S300 PolarHBondContact O-OG 3Å; Y297-S300 PolarHBondContact O-N 3.22Å; Y297-S300 PolarHBondContact O-OG 3.28Å; I298-S300 VanDerWaalsContact C-N 3.31Å; I298-S300 PolarHBondContact O-N 3.4Å; S300-P313 WeakPolarHBondContact O-CA 3.35Å; S300-P313 WeakPolarHBondContact O-CB 3.46Å; S300-P313 WeakPolarHBondContact OG-CG 3.49Å
301T98.8Very high98.5Very high5 Ų543.1 Ų43.13%0.03121%0.207CC..THydrogen-bonded Turntrans-94.64.5172.374.20000113.6T270 Y297 I298 L299 F309 A310 W312 P313T270-T301 WeakPolarHBondContact OG1-CB 3.27Å; T270-T301 WeakPolarHBondContact OG1-CG2 3.28Å; T270-T301 PolarHBondContact OG1-OG1 2.61Å; Y297-T301 HydrophobicContact CE1-CG2 4.32Å; Y297-T301 WeakPolarHBondContact O-CG2 3.45Å; I298-T301 PolarHBondContact O-N 2.9Å; I298-T301 PolarHBondContact O-OG1 3.16Å; L299-T301 PolarHBondContact O-N 3.39Å; T301-F309 WeakPolarHBondContact O-CA 3.32Å; T301-A310 WeakPolarHBondContact CB-O 3.23Å; T301-A310 PolarHBondContact O-N 2.8Å; T301-A310 PolarHBondContact OG1-O 3.35Å; T301-W312 VanDerWaalsContact CG2-C 3.44Å; T301-P313 HydrophobicContact CG2-CG 4.19Å
302Q98.8Very high98.5Very high14 Ų1445.2 Ų45.27%0.06521%0.213CC..BIsolated β-bridgetrans-74.3122.8179.2-173.7176.6-118.500110.8D19 H25 L299 R304 F309D19-Q302 PolarHBondContact O-NE2 3.42Å; H25-Q302 PolarHBondContact NE2-OE1 2.82Å; L299-Q302 WeakPolarHBondContact O-CB 3.36Å; L299-Q302 PolarHBondContact O-N 2.61Å; Q302-R304 PolarHBondContact O-N 2.89Å; Q302-F309 HydrophobicContact CB-CD1 3.9Å; Q302-F309 HydrophobicContact CB-CE1 3.59Å; Q302-F309 HydrophobicContact CB-CZ 4.35Å; Q302-F309 HydrophobicContact CG-CD1 4.48Å; Q302-F309 HydrophobicContact CG-CE1 4Å; Q302-F309 HydrophobicContact CG-CZ 4.27Å
303D98.5Very high98.5Very high40 Ų4042.4 Ų42.421%0.21420%0.204CC..  trans-78.2108.7171.2-170.7-54.3000109.6L305 V306 G307 G308 P317D303-L305 VanDerWaalsContact C-N 3.26Å; D303-L305 PolarHBondContact O-N 3.41Å; D303-L305 WeakPolarHBondContact OD1-CA 3.46Å; D303-L305 WeakPolarHBondContact OD1-CB 3.24Å; D303-L305 PolarHBondContact OD1-N 2.92Å; D303-V306 HydrophobicContact CB-CG2 4.01Å; D303-V306 WeakPolarHBondContact OD1-CG2 3.36Å; D303-V306 PolarHBondContact OD1-N 3.32Å; D303-V306 WeakPolarHBondContact OD2-CG2 3.24Å; D303-G307 WeakPolarHBondContact O-CA 3.34Å; D303-G307 PolarHBondContact O-N 3.01Å; D303-G308 PolarHBondContact N-O 2.89Å; D303-P317 HydrophobicContact CB-CB 4.21Å; D303-P317 HydrophobicContact CB-CG 3.71Å
304R97.9Very high98.4Very high109 Ų10945.3 Ų45.341%0.41123%0.226SC..THydrogen-bonded Turntrans-74.3-16.8-176.4-58.8-179.770.488.1-7.1113L21 R24 Q302L21-R304 HydrophobicContact CD1-CB 3.93Å; L21-R304 HydrophobicContact CD1-CG 3.91Å; R24-R304 WeakPolarHBondContact CD-O 3.41Å; R24-R304 PolarHBondContact NE-O 3.13Å; R24-R304 VanDerWaalsContact NE-O 3.08Å; R24-R304 PolarHBondContact NH1-O 3.11Å; Q302-R304 PolarHBondContact O-N 2.89Å
305L97.5Very high98.3Very high141 Ų14147.9 Ų47.974%0.73824%0.244SC*.THydrogen-bonded Turntrans-88.2-64.1-178.9-176.170.1000110R24 D303R24-L305 PolarHBondContact NH1-O 3.27Å; D303-L305 VanDerWaalsContact C-N 3.26Å; D303-L305 PolarHBondContact O-N 3.41Å; D303-L305 WeakPolarHBondContact OD1-CA 3.46Å; D303-L305 WeakPolarHBondContact OD1-CB 3.24Å; D303-L305 PolarHBondContact OD1-N 2.92Å
306V97.8Very high98.3Very high55 Ų5554 Ų5433%0.33327%0.273SS..THydrogen-bonded Turntrans-88.8-18.4-175-60.20000112.7R31 D303 P317R31-V306 PolarHBondContact NH1-O 2.72Å; R31-V306 PolarHBondContact NH2-O 2.91Å; D303-V306 HydrophobicContact CB-CG2 4.01Å; D303-V306 WeakPolarHBondContact OD1-CG2 3.36Å; D303-V306 PolarHBondContact OD1-N 3.32Å; D303-V306 WeakPolarHBondContact OD2-CG2 3.24Å; V306-P317 HydrophobicContact CG2-CG 3.69Å
307G98.5Very high98.3Very high0 Ų050.8 Ų50.80%026%0.257CS..  trans82.8177.6-169.700000112.3F28 D303F28-G307 VanDerWaalsContact CD2-C 3.46Å; F28-G307 WeakPolarHBondContact CD2-O 3.29Å; D303-G307 WeakPolarHBondContact O-CA 3.34Å; D303-G307 PolarHBondContact O-N 3.01Å
308G98.8Very high98.3Very high0 Ų052.5 Ų52.50%027%0.267CS..SBendtrans81.8176.2-172.200000112.4H25 D303H25-G308 PolarHBondContact CE1-N 2.62Å; H25-G308 PolarHBondContact CE1-O 2.82Å; H25-G308 VanDerWaalsContact ND1-CA 3.35Å; H25-G308 WeakPolarHBondContact ND1-CA 3.49Å; H25-G308 PolarHBondContact ND1-N 3.03Å; D303-G308 PolarHBondContact N-O 2.89Å
309F98.9Very high98.3Very high0 Ų053 Ų530%027%0.271CS..BIsolated β-bridgetrans-124.8149.1177.4-66.1-90.8000109.4F20 H25 T270 I298 L299 T301 Q302 P317 D318 H321 A322 I326 L329F20-F309 HydrophobicContact CD2-CZ 4.02Å; F20-F309 AromaticContact CE2-CE2 3.97Å; F20-F309 HydrophobicContact CE2-CE2 3.97Å; F20-F309 AromaticContact CE2-CZ 3.89Å; F20-F309 HydrophobicContact CE2-CZ 3.89Å; H25-F309 AromaticContact CE1-CD2 3.61Å; H25-F309 AromaticContact CE1-CE2 3.14Å; H25-F309 WeakPolarHBondContact CE1-CE2 3.5Å; H25-F309 AromaticContact CE1-CZ 3.56Å; H25-F309 AromaticContact ND1-CD2 3.95Å; H25-F309 AromaticContact ND1-CE2 3.65Å; H25-F309 AromaticContact NE2-CE2 3.53Å; H25-F309 AromaticContact NE2-CZ 3.62Å; T270-F309 HydrophobicContact CG2-CB 4.39Å; I298-F309 HydrophobicContact CG2-CD1 4.01Å; I298-F309 HydrophobicContact CG2-CE1 3.76Å; I298-F309 HydrophobicContact CG2-CZ 4.31Å; I298-F309 VanDerWaalsContact O-CD1 3.3Å; I298-F309 WeakPolarHBondContact O-CD1 3.43Å; I298-F309 WeakPolarHBondContact O-CE1 3.49Å; L299-F309 HydrophobicContact CD2-CE1 4.23Å; L299-F309 HydrophobicContact CD2-CZ 4.34Å; T301-F309 WeakPolarHBondContact O-CA 3.32Å; Q302-F309 HydrophobicContact CB-CD1 3.9Å; Q302-F309 HydrophobicContact CB-CE1 3.59Å; Q302-F309 HydrophobicContact CB-CZ 4.35Å; Q302-F309 HydrophobicContact CG-CD1 4.48Å; Q302-F309 HydrophobicContact CG-CE1 4Å; Q302-F309 HydrophobicContact CG-CZ 4.27Å; F309-P317 WeakPolarHBondContact O-CA 3.46Å; F309-P317 WeakPolarHBondContact O-CB 3.08Å; F309-D318 PolarHBondContact O-N 3.31Å; F309-H321 VanDerWaalsContact O-CB 3.29Å; F309-H321 WeakPolarHBondContact O-CB 3.35Å; F309-A322 PolarHBondContact O-N 3.35Å; F309-I326 HydrophobicContact CD2-CG1 4.38Å; F309-I326 HydrophobicContact CE2-CG1 3.87Å; F309-L329 HydrophobicContact CZ-CD1 3.97Å
310A98.8Very high98.3Very high1 Ų155.6 Ų55.61%0.00829%0.285CS..  trans-102.3177.517100000111.1T270 T301 W312 S315 H316T270-A310 VanDerWaalsContact CB-O 3.23Å; T270-A310 WeakPolarHBondContact CB-O 3.43Å; T270-A310 PolarHBondContact OG1-O 3.31Å; T301-A310 WeakPolarHBondContact CB-O 3.23Å; T301-A310 PolarHBondContact O-N 2.8Å; T301-A310 PolarHBondContact OG1-O 3.35Å; A310-W312 WeakPolarHBondContact CB-O 3.43Å; A310-S315 VanDerWaalsContact CB-O 3.23Å; A310-S315 WeakPolarHBondContact CB-O 3.31Å; A310-H316 WeakPolarHBondContact CB-O 3.45Å
311K98.2Very high98.3Very high69 Ų6954.3 Ų54.330%0.327%0.274SS..SBendtrans-64.5-42.6171.9173.7165.7-52.7-142.40113.4D269 T270 Y297 H321D269-K311 HydrophobicContact CB-CD 4.06Å; D269-K311 HydrophobicContact CB-CG 3.76Å; D269-K311 VanDerWaalsContact OD2-CD 3.28Å; D269-K311 WeakPolarHBondContact OD2-CD 3.33Å; D269-K311 WeakPolarHBondContact OD2-CE 3.48Å; D269-K311 IonicContact OD2-NZ 3.79Å; D269-K311 PolarHBondContact OD2-NZ 3.08Å; T270-K311 PolarHBondContact N-O 3.02Å; T270-K311 VanDerWaalsContact N-O 3.11Å; T270-K311 PolarHBondContact OG1-O 3.47Å; Y297-K311 PolarHBondContact OH-O 2.68Å; K311-H321 VanDerWaalsContact CE-NE2 3.35Å; K311-H321 WeakPolarHBondContact CE-NE2 3.42Å
312W98.5Very high98.3Very high117 Ų11754.1 Ų54.144%0.44327%0.273SS..SBendtrans-132.4159.3-173.5-62.6-42.7000109.4P267 V268 T301 A310 S315P267-W312 HydrophobicContact CG-CZ2 4.15Å; V268-W312 VanDerWaalsContact O-CD1 3.24Å; V268-W312 PolarHBondContact O-NE1 3.18Å; T301-W312 VanDerWaalsContact CG2-C 3.44Å; A310-W312 WeakPolarHBondContact CB-O 3.43Å; W312-S315 WeakPolarHBondContact O-CB 3.35Å
313P97.9Very high98.4Very high50 Ų5053.4 Ų53.433%0.32527%0.27SS..THydrogen-bonded Turntrans-55.5150.6168.1-22.934.9000111.2S300 T301 S315S300-P313 WeakPolarHBondContact O-CA 3.35Å; S300-P313 WeakPolarHBondContact O-CB 3.46Å; S300-P313 WeakPolarHBondContact OG-CG 3.49Å; T301-P313 HydrophobicContact CG2-CG 4.19Å; P313-S315 PolarHBondContact O-N 3.43Å; P313-S315 VanDerWaalsContact O-N 3.13Å
314D95.9Very high98.4Very high179 Ų17951.7 Ų51.796%0.95726%0.26SS*.THydrogen-bonded Turntrans54.730.6177.8-51.6-45.8000114.3
315S97.9Very high98.4Very high54 Ų5446.5 Ų46.538%0.37824%0.241SC..SBendtrans-119.8160.5176.8-1710000111.1A310 W312 P313A310-S315 VanDerWaalsContact CB-O 3.23Å; A310-S315 WeakPolarHBondContact CB-O 3.31Å; W312-S315 WeakPolarHBondContact O-CB 3.35Å; P313-S315 PolarHBondContact O-N 3.43Å; P313-S315 VanDerWaalsContact O-N 3.13Å
316H98.3Very high98.5Very high161 Ų16139.8 Ų39.875%0.74521%0.205SC*.  trans-70.1133-178.2-64.9121.2000111.5A310A310-H316 WeakPolarHBondContact CB-O 3.45Å
317P98.7Very high98.5Very high12 Ų1237.1 Ų37.18%0.07819%0.189CC..  trans-74153.8176.332.1-36.8000111.9F28 D303 V306 F309F28-P317 HydrophobicContact CE2-CB 3.99Å; F28-P317 HydrophobicContact CE2-CG 4.01Å; F28-P317 HydrophobicContact CZ-CB 4.39Å; D303-P317 HydrophobicContact CB-CB 4.21Å; D303-P317 HydrophobicContact CB-CG 3.71Å; V306-P317 HydrophobicContact CG2-CG 3.69Å; F309-P317 WeakPolarHBondContact O-CA 3.46Å; F309-P317 WeakPolarHBondContact O-CB 3.08Å
318D98.9Very high98.6Very high52 Ų5237.1 Ų37.128%0.27819%0.189SC..BIsolated β-bridgetrans-142.7166.3174.264.166.6000111.1F309 L320 H321 A322F309-D318 PolarHBondContact O-N 3.31Å; D318-L320 VanDerWaalsContact C-N 3.28Å; D318-L320 PolarHBondContact O-N 3.5Å; D318-L320 WeakPolarHBondContact OD1-CA 3.37Å; D318-L320 WeakPolarHBondContact OD1-CB 3.42Å; D318-L320 PolarHBondContact OD1-N 3.09Å; D318-H321 PolarHBondContact O-N 3.3Å; D318-H321 IonicContact OD1-CE1 2.67Å; D318-H321 IonicContact OD1-CG 3.52Å; D318-H321 PolarHBondContact OD1-N 2.92Å; D318-H321 IonicContact OD1-ND1 3.55Å; D318-H321 PolarHBondContact OD1-ND1 3.47Å; D318-H321 IonicContact OD2-CE1 3.93Å; D318-H321 IonicContact OD2-CG 3Å; D318-H321 IonicContact OD2-ND1 3.75Å; D318-H321 PolarHBondContact OD2-ND1 3.47Å; D318-A322 WeakPolarHBondContact O-CB 3.48Å; D318-A322 PolarHBondContact O-N 2.97Å
319A98.8Very high98.6Very high11 Ų1137.1 Ų37.19%0.09119%0.189CC..Hα-helixtrans-60.9-35.6-175.600000113.2I50 F53 Y323I50-A319 HydrophobicContact CG2-CB 4.16Å; F53-A319 HydrophobicContact CB-CB 4.07Å; F53-A319 HydrophobicContact CD2-CB 4.2Å; A319-Y323 WeakPolarHBondContact O-CB 3.48Å; A319-Y323 PolarHBondContact O-N 3.25Å
320L98.9Very high98.6Very high56 Ų5637.2 Ų37.229%0.29319%0.19SC..Hα-helixtrans-68.4-52.3-178.2-179.9153.4000110.6F53 C271 D318 Y323 F324F53-L320 HydrophobicContact CD2-CB 4.13Å; F53-L320 HydrophobicContact CE2-CB 3.67Å; F53-L320 HydrophobicContact CE2-CD1 4.09Å; F53-L320 HydrophobicContact CE2-CG 4.04Å; F53-L320 HydrophobicContact CZ-CB 4.04Å; F53-L320 HydrophobicContact CZ-CD1 3.93Å; F53-L320 HydrophobicContact CZ-CG 3.9Å; C271-L320 HydrophobicContact CB-CD2 3.95Å; D318-L320 VanDerWaalsContact C-N 3.28Å; D318-L320 PolarHBondContact O-N 3.5Å; D318-L320 WeakPolarHBondContact OD1-CA 3.37Å; D318-L320 WeakPolarHBondContact OD1-CB 3.42Å; D318-L320 PolarHBondContact OD1-N 3.09Å; L320-Y323 PolarHBondContact O-N 2.89Å; L320-F324 HydrophobicContact CD1-CE2 4.48Å; L320-F324 HydrophobicContact CD2-CD2 3.75Å; L320-F324 HydrophobicContact CD2-CE2 4.22Å; L320-F324 HydrophobicContact CG-CD2 3.8Å; L320-F324 HydrophobicContact CG-CE2 3.88Å; L320-F324 VanDerWaalsContact O-CD2 3.27Å; L320-F324 WeakPolarHBondContact O-CD2 3.5Å; L320-F324 PolarHBondContact O-N 3.37Å
321H98.9Very high98.6Very high15 Ų1537.4 Ų37.47%0.06919%0.191CC..Hα-helixtrans-71.7-32.8-179.6-63.890.9000111.4D269 F309 K311 D318 G325D269-H321 IonicContact OD1-CD2 2.73Å; D269-H321 PolarHBondContact OD1-CD2 3.17Å; D269-H321 IonicContact OD1-NE2 2.75Å; D269-H321 PolarHBondContact OD1-NE2 2.94Å; D269-H321 IonicContact OD2-NE2 3.51Å; F309-H321 VanDerWaalsContact O-CB 3.29Å; F309-H321 WeakPolarHBondContact O-CB 3.35Å; K311-H321 VanDerWaalsContact CE-NE2 3.35Å; K311-H321 WeakPolarHBondContact CE-NE2 3.42Å; D318-H321 PolarHBondContact O-N 3.3Å; D318-H321 IonicContact OD1-CE1 2.67Å; D318-H321 IonicContact OD1-CG 3.52Å; D318-H321 PolarHBondContact OD1-N 2.92Å; D318-H321 IonicContact OD1-ND1 3.55Å; D318-H321 PolarHBondContact OD1-ND1 3.47Å; D318-H321 IonicContact OD2-CE1 3.93Å; D318-H321 IonicContact OD2-CG 3Å; D318-H321 IonicContact OD2-ND1 3.75Å; D318-H321 PolarHBondContact OD2-ND1 3.47Å; H321-G325 WeakPolarHBondContact O-CA 3.39Å; H321-G325 PolarHBondContact O-N 2.95Å
322A98.9Very high98.6Very high0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-57.8-50171.700000111.6F28 F29 F309 D318 I326F28-A322 HydrophobicContact CD1-CB 4Å; F28-A322 HydrophobicContact CE1-CB 3.59Å; F28-A322 HydrophobicContact CZ-CB 4.25Å; F29-A322 HydrophobicContact CE1-CB 3.77Å; F29-A322 HydrophobicContact CZ-CB 3.9Å; F309-A322 PolarHBondContact O-N 3.35Å; D318-A322 WeakPolarHBondContact O-CB 3.48Å; D318-A322 PolarHBondContact O-N 2.97Å; A322-I326 WeakPolarHBondContact O-CD1 3.46Å; A322-I326 WeakPolarHBondContact O-CG1 3.35Å; A322-I326 PolarHBondContact O-N 3.44Å
323Y98.9Very high98.6Very high0 Ų036.1 Ų36.10%019%0.191CC..Hα-helixtrans-64.1-52.6178.2175.5-109.4000112F52 F53 S56 M60 A319 L320 G325 I326 C327 N345F52-Y323 HydrophobicContact CE1-CD1 4.48Å; F52-Y323 AromaticContact CE1-CE1 3.92Å; F52-Y323 HydrophobicContact CE1-CE1 3.92Å; F52-Y323 HydrophobicContact CZ-CE1 4.11Å; F53-Y323 HydrophobicContact CB-CG 4.39Å; F53-Y323 AromaticContact CD1-CD1 3.53Å; F53-Y323 HydrophobicContact CD1-CD1 3.53Å; F53-Y323 HydrophobicContact CD1-CE1 4.28Å; F53-Y323 AromaticContact CD1-CG 3.89Å; F53-Y323 HydrophobicContact CD1-CG 3.89Å; F53-Y323 HydrophobicContact CE1-CD1 4.02Å; S56-Y323 WeakPolarHBondContact OG-CE2 3.49Å; S56-Y323 PolarHBondContact OG-OH 3.41Å; M60-Y323 HydrophobicContact CG-CE2 4.32Å; A319-Y323 WeakPolarHBondContact O-CB 3.48Å; A319-Y323 PolarHBondContact O-N 3.25Å; L320-Y323 PolarHBondContact O-N 2.89Å; Y323-G325 VanDerWaalsContact C-N 3.34Å; Y323-G325 PolarHBondContact O-N 3.11Å; Y323-I326 WeakPolarHBondContact O-CB 3.5Å; Y323-I326 PolarHBondContact O-N 3.49Å; Y323-C327 VanDerWaalsContact CE2-SG 3.5Å; Y323-C327 PolarHBondContact O-N 2.94Å; Y323-C327 PolarHBondContact O-SG 3.2Å; Y323-C327 VanDerWaalsContact O-SG 3.39Å; Y323-N345 VanDerWaalsContact CE1-OD1 3.28Å; Y323-N345 WeakPolarHBondContact CE1-OD1 3.5Å; Y323-N345 PolarHBondContact OH-O 3.35Å; Y323-N345 PolarHBondContact OH-OD1 2.97Å
324F98.9Very high98.7Very high3 Ų335 Ų351%0.01318%0.182CC..Hα-helixtrans-72.6-24.7-176.4-71.2-54.2000114.1F53 C271 F274 W275 L320 G328F53-F324 AromaticContact CE1-CE2 3.79Å; F53-F324 HydrophobicContact CE1-CE2 3.79Å; F53-F324 HydrophobicContact CE1-CZ 4.01Å; F53-F324 HydrophobicContact CZ-CE2 4.16Å; C271-F324 HydrophobicContact CB-CB 3.98Å; C271-F324 HydrophobicContact CB-CD2 4.18Å; C271-F324 HydrophobicContact CB-CG 4.4Å; F274-F324 HydrophobicContact CB-CB 4.06Å; F274-F324 HydrophobicContact CB-CD1 3.74Å; F274-F324 HydrophobicContact CB-CG 4.28Å; F274-F324 AromaticContact CD1-CD1 3.24Å; F274-F324 HydrophobicContact CD1-CD1 3.24Å; F274-F324 AromaticContact CD1-CE1 3.31Å; F274-F324 HydrophobicContact CD1-CE1 3.31Å; F274-F324 HydrophobicContact CD1-CG 4.33Å; F274-F324 HydrophobicContact CD1-CZ 4.43Å; F274-F324 HydrophobicContact CD2-CD1 4.49Å; F274-F324 AromaticContact CE1-CD1 3.93Å; F274-F324 HydrophobicContact CE1-CD1 3.93Å; F274-F324 AromaticContact CE1-CE1 3.55Å; F274-F324 HydrophobicContact CE1-CE1 3.55Å; F274-F324 AromaticContact CG-CD1 3.56Å; F274-F324 HydrophobicContact CG-CD1 3.56Å; F274-F324 HydrophobicContact CG-CE1 4.08Å; F274-F324 HydrophobicContact CZ-CE1 4.47Å; W275-F324 AromaticContact CE2-CE2 3.94Å; W275-F324 AromaticContact CE2-CZ 3.99Å; W275-F324 HydrophobicContact CH2-CE1 4.34Å; W275-F324 HydrophobicContact CH2-CE2 4.16Å; W275-F324 AromaticContact CH2-CZ 3.64Å; W275-F324 HydrophobicContact CH2-CZ 3.64Å; W275-F324 HydrophobicContact CZ2-CD2 4.26Å; W275-F324 HydrophobicContact CZ2-CE1 4.16Å; W275-F324 AromaticContact CZ2-CE2 3.42Å; W275-F324 HydrophobicContact CZ2-CE2 3.42Å; W275-F324 VanDerWaalsContact CZ2-CE2 3.42Å; W275-F324 AromaticContact CZ2-CZ 3.35Å; W275-F324 HydrophobicContact CZ2-CZ 3.35Å; W275-F324 HydrophobicContact CZ3-CZ 4.46Å; L320-F324 HydrophobicContact CD1-CE2 4.48Å; L320-F324 HydrophobicContact CD2-CD2 3.75Å; L320-F324 HydrophobicContact CD2-CE2 4.22Å; L320-F324 HydrophobicContact CG-CD2 3.8Å; L320-F324 HydrophobicContact CG-CE2 3.88Å; L320-F324 VanDerWaalsContact O-CD2 3.27Å; L320-F324 WeakPolarHBondContact O-CD2 3.5Å; L320-F324 PolarHBondContact O-N 3.37Å; F324-G328 PolarHBondContact O-N 3.04Å
325G98.9Very high98.8Very high0 Ų031.6 Ų31.60%017%0.172CC..Hα-helixtrans-62.8-46.9168.200000111.3H321 Y323 G328 L329H321-G325 WeakPolarHBondContact O-CA 3.39Å; H321-G325 PolarHBondContact O-N 2.95Å; Y323-G325 VanDerWaalsContact C-N 3.34Å; Y323-G325 PolarHBondContact O-N 3.11Å; G325-G328 PolarHBondContact O-N 3Å; G325-L329 WeakPolarHBondContact O-CG 3.41Å; G325-L329 PolarHBondContact O-N 2.91Å
326I98.9Very high98.8Very high0 Ų031.1 Ų31.10%018%0.175CC..Hα-helixtrans-62.2-45.3174.8-73.5167.1000111.4F20 H25 F29 M60 L61 F309 A322 Y323 G328 L329 S330 I337F20-I326 HydrophobicContact CE2-CG1 4.24Å; F20-I326 HydrophobicContact CZ-CG1 4.25Å; H25-I326 HydrophobicContact CB-CD1 4.13Å; F29-I326 HydrophobicContact CE2-CD1 3.43Å; F29-I326 VanDerWaalsContact CE2-CD1 3.43Å; F29-I326 HydrophobicContact CZ-CD1 3.75Å; M60-I326 HydrophobicContact CB-CG2 3.96Å; L61-I326 HydrophobicContact CD1-CD1 3.85Å; L61-I326 HydrophobicContact CD2-CD1 4.18Å; L61-I326 HydrophobicContact CD2-CG2 4.18Å; L61-I326 HydrophobicContact CG-CD1 4.18Å; F309-I326 HydrophobicContact CD2-CG1 4.38Å; F309-I326 HydrophobicContact CE2-CG1 3.87Å; A322-I326 WeakPolarHBondContact O-CD1 3.46Å; A322-I326 WeakPolarHBondContact O-CG1 3.35Å; A322-I326 PolarHBondContact O-N 3.44Å; Y323-I326 WeakPolarHBondContact O-CB 3.5Å; Y323-I326 PolarHBondContact O-N 3.49Å; I326-G328 VanDerWaalsContact C-N 3.29Å; I326-G328 PolarHBondContact O-N 3.18Å; I326-L329 PolarHBondContact O-N 2.96Å; I326-S330 WeakPolarHBondContact O-CB 3.37Å; I326-S330 PolarHBondContact O-N 3.42Å; I326-I337 HydrophobicContact CG2-CD1 4.26Å; I326-I337 HydrophobicContact CG2-CG2 3.7Å
327C98.9Very high98.8Very high0 Ų024.3 Ų24.30%014%0.144CC..Hα-helixtrans-65.5-33.2176-62.80000112.2F274 Y323 S330 L331 V340F274-C327 HydrophobicContact CB-CB 4.24Å; F274-C327 HydrophobicContact CD2-CB 3.38Å; F274-C327 HydrophobicContact CE2-CB 3.94Å; F274-C327 HydrophobicContact CG-CB 3.98Å; Y323-C327 VanDerWaalsContact CE2-SG 3.5Å; Y323-C327 PolarHBondContact O-N 2.94Å; Y323-C327 PolarHBondContact O-SG 3.2Å; Y323-C327 VanDerWaalsContact O-SG 3.39Å; C327-S330 WeakPolarHBondContact O-CB 3.46Å; C327-S330 PolarHBondContact O-N 3.37Å; C327-L331 WeakPolarHBondContact O-CG 3.5Å; C327-L331 PolarHBondContact O-N 3.11Å; C327-L331 VanDerWaalsContact O-N 3.14Å; C327-V340 HydrophobicContact CB-CG2 4.44Å
328G98.9Very high98.8Very high0 Ų025.4 Ų25.40%015%0.152CC..Hα-helixtrans-62.4-43.6172.100000112.4F324 G325 I326 L331F324-G328 PolarHBondContact O-N 3.04Å; G325-G328 PolarHBondContact O-N 3Å; I326-G328 VanDerWaalsContact C-N 3.29Å; I326-G328 PolarHBondContact O-N 3.18Å; G328-L331 PolarHBondContact O-N 3.41Å
329L98.9Very high98.8Very high0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-64.9-40.5172.9-71171.5000111.9F20 R295 I298 L299 F309 G325 I326 L331 M332 E333 E334 I337F20-L329 HydrophobicContact CD2-CD1 3.82Å; F20-L329 HydrophobicContact CE2-CD1 4.05Å; R295-L329 HydrophobicContact CG-CD2 3.86Å; I298-L329 HydrophobicContact CB-CD2 4.34Å; I298-L329 HydrophobicContact CD1-CD2 4.12Å; I298-L329 HydrophobicContact CD1-CG 4.2Å; I298-L329 HydrophobicContact CG2-CD1 4.07Å; I298-L329 HydrophobicContact CG2-CD2 4.23Å; I298-L329 HydrophobicContact CG2-CG 3.9Å; L299-L329 HydrophobicContact CD2-CD1 4.13Å; F309-L329 HydrophobicContact CZ-CD1 3.97Å; G325-L329 WeakPolarHBondContact O-CG 3.41Å; G325-L329 PolarHBondContact O-N 2.91Å; I326-L329 PolarHBondContact O-N 2.96Å; L329-L331 VanDerWaalsContact C-N 3.29Å; L329-L331 PolarHBondContact O-N 3.15Å; L329-M332 HydrophobicContact CD2-CE 4.09Å; L329-M332 CarbonylContact O-C 3.06Å; L329-M332 WeakPolarHBondContact O-CA 3.48Å; L329-M332 PolarHBondContact O-N 2.94Å; L329-E333 PolarHBondContact O-N 3.41Å; L329-E334 HydrophobicContact CB-CB 3.8Å; L329-E334 HydrophobicContact CB-CG 4.19Å; L329-E334 HydrophobicContact CD1-CG 4.49Å; L329-E334 HydrophobicContact CD2-CG 4.47Å; L329-E334 PolarHBondContact O-N 2.91Å; L329-I337 HydrophobicContact CB-CD1 3.66Å; L329-I337 HydrophobicContact CD1-CD1 4Å; L329-I337 HydrophobicContact CG-CD1 4.49Å
330S98.9Very high98.8Very high2 Ų227.7 Ų27.71%0.01416%0.157CC..Hα-helixtrans-57.5-37.7176.4176.60000113.3M60 I326 C327 M332 E333 C338 K339 V340M60-S330 VanDerWaalsContact CE-OG 3.3Å; M60-S330 WeakPolarHBondContact CE-OG 3.47Å; I326-S330 WeakPolarHBondContact O-CB 3.37Å; I326-S330 PolarHBondContact O-N 3.42Å; C327-S330 WeakPolarHBondContact O-CB 3.46Å; C327-S330 PolarHBondContact O-N 3.37Å; S330-M332 PolarHBondContact O-N 3.41Å; S330-E333 PolarHBondContact O-N 3.26Å; S330-C338 WeakPolarHBondContact CB-O 3.43Å; S330-C338 PolarHBondContact OG-O 3.13Å; S330-K339 WeakPolarHBondContact OG-CA 3.5Å; S330-V340 PolarHBondContact OG-N 3.42Å
331L98.9Very high98.8Very high5 Ų527.2 Ų27.23%0.02615%0.154CC..THydrogen-bonded Turntrans-61.3-25.4177.3-70171000113.2F274 G277 A278 K281 F286 C327 G328 L329 V340F274-L331 HydrophobicContact CD2-CD1 4.45Å; G277-L331 VanDerWaalsContact C-CD1 3.44Å; A278-L331 HydrophobicContact CB-CD1 4.28Å; A278-L331 VanDerWaalsContact N-CD1 3.34Å; K281-L331 HydrophobicContact CB-CD2 4.07Å; K281-L331 HydrophobicContact CD-CD2 4.38Å; K281-L331 HydrophobicContact CG-CD2 4.06Å; F286-L331 HydrophobicContact CD1-CB 4.32Å; F286-L331 HydrophobicContact CE1-CB 3.66Å; F286-L331 VanDerWaalsContact CE1-O 3.29Å; F286-L331 WeakPolarHBondContact CE1-O 3.35Å; F286-L331 HydrophobicContact CZ-CB 3.86Å; C327-L331 WeakPolarHBondContact O-CG 3.5Å; C327-L331 PolarHBondContact O-N 3.11Å; C327-L331 VanDerWaalsContact O-N 3.14Å; G328-L331 PolarHBondContact O-N 3.41Å; L329-L331 VanDerWaalsContact C-N 3.29Å; L329-L331 PolarHBondContact O-N 3.15Å; L331-V340 HydrophobicContact CD2-CG1 3.85Å; L331-V340 HydrophobicContact CG-CG1 4.12Å
332M98.8Very high98.8Very high24 Ų2427.7 Ų27.712%0.11816%0.158CC..THydrogen-bonded Turntrans-1008.1177.2-59179.6-64.500113F286 F291 N294 R295 I298 L329 S330 E334F286-M332 HydrophobicContact CE1-CG 3.73Å; F286-M332 HydrophobicContact CZ-CG 3.63Å; F286-M332 HydrophobicContact CZ-SD 4.4Å; F291-M332 HydrophobicContact CB-CG 4.33Å; F291-M332 HydrophobicContact CB-SD 3.79Å; F291-M332 HydrophobicContact CD1-CG 3.9Å; F291-M332 HydrophobicContact CD1-SD 4.04Å; F291-M332 HydrophobicContact CD2-CB 3.95Å; F291-M332 HydrophobicContact CD2-CG 3.9Å; F291-M332 HydrophobicContact CD2-SD 4.47Å; F291-M332 HydrophobicContact CE1-CG 4.11Å; F291-M332 HydrophobicContact CE2-CB 4.16Å; F291-M332 HydrophobicContact CE2-CG 4.13Å; F291-M332 HydrophobicContact CG-CB 4.3Å; F291-M332 HydrophobicContact CG-CG 3.79Å; F291-M332 HydrophobicContact CG-SD 3.87Å; F291-M332 HydrophobicContact CZ-CG 4.23Å; N294-M332 HydrophobicContact CB-CE 4.41Å; N294-M332 HydrophobicContact CB-SD 4.01Å; N294-M332 WeakPolarHBondContact ND2-CE 3.46Å; N294-M332 PolarHBondContact ND2-SD 3.47Å; N294-M332 VanDerWaalsContact ND2-SD 3.41Å; R295-M332 HydrophobicContact CB-CE 3.82Å; R295-M332 HydrophobicContact CB-SD 4.42Å; R295-M332 HydrophobicContact CG-CE 4.48Å; I298-M332 HydrophobicContact CD1-CE 3.95Å; L329-M332 HydrophobicContact CD2-CE 4.09Å; L329-M332 CarbonylContact O-C 3.06Å; L329-M332 WeakPolarHBondContact O-CA 3.48Å; L329-M332 PolarHBondContact O-N 2.94Å; S330-M332 PolarHBondContact O-N 3.41Å; M332-E334 PolarHBondContact O-N 3.32Å
333E98.7Very high98.8Very high135 Ų13527.9 Ų27.963%0.63116%0.159SC*.THydrogen-bonded Turntrans62.240.1175.3-54.8179.2-178.600113.4L329 S330 S335L329-E333 PolarHBondContact O-N 3.41Å; S330-E333 PolarHBondContact O-N 3.26Å; E333-S335 PolarHBondContact O-N 3.4Å
334E98.7Very high98.8Very high27 Ų2728 Ų2813%0.12616%0.16CC..  trans-53.1134.9172.8-174.668.1-148.300111.9F20 R295 L329 M332 G336 I337F20-E334 HydrophobicContact CD1-CG 4.48Å; R295-E334 WeakPolarHBondContact CD-OE2 3.36Å; R295-E334 IonicContact CZ-OE1 3.34Å; R295-E334 IonicContact CZ-OE2 3.48Å; R295-E334 IonicContact NE-OE1 3.64Å; R295-E334 IonicContact NE-OE2 2.69Å; R295-E334 PolarHBondContact NE-OE2 2.85Å; R295-E334 IonicContact NH2-OE1 2.71Å; R295-E334 PolarHBondContact NH2-OE1 3.47Å; R295-E334 IonicContact NH2-OE2 3.45Å; R295-E334 PolarHBondContact NH2-OE2 2.91Å; L329-E334 HydrophobicContact CB-CB 3.8Å; L329-E334 HydrophobicContact CB-CG 4.19Å; L329-E334 HydrophobicContact CD1-CG 4.49Å; L329-E334 HydrophobicContact CD2-CG 4.47Å; L329-E334 PolarHBondContact O-N 2.91Å; M332-E334 PolarHBondContact O-N 3.32Å; E334-G336 PolarHBondContact O-N 3.16Å; E334-I337 HydrophobicContact CB-CD1 3.86Å; E334-I337 HydrophobicContact CB-CG1 4.22Å; E334-I337 HydrophobicContact CG-CD1 3.79Å; E334-I337 HydrophobicContact CG-CG1 4.2Å; E334-I337 PolarHBondContact O-N 2.88Å
335S98.4Very high98.8Very high106 Ų10628 Ų2874%0.74116%0.16SC*.THydrogen-bonded Turntrans-60.5135.3-180-167.90000111.8E333 I337E333-S335 PolarHBondContact O-N 3.4Å; S335-I337 VanDerWaalsContact C-N 3.29Å; S335-I337 PolarHBondContact O-N 2.96Å
336G97.9Very high98.8Very high44 Ų4428.1 Ų28.145%0.45416%0.161SC..THydrogen-bonded Turntrans78.96.3-179.700000114.9E334E334-G336 PolarHBondContact O-N 3.16Å
337I98.9Very high98.8Very high19 Ų1928.1 Ų28.110%0.09716%0.161CC..  trans-115.7130172.4-48.6-175.6000108.9F20 M60 L61 I326 L329 E334 S335F20-I337 HydrophobicContact CD1-CD1 4.11Å; F20-I337 HydrophobicContact CD1-CG1 4.18Å; F20-I337 HydrophobicContact CE1-CD1 3.62Å; F20-I337 HydrophobicContact CE1-CG1 3.57Å; F20-I337 HydrophobicContact CE2-CD1 4.08Å; F20-I337 HydrophobicContact CZ-CD1 3.62Å; F20-I337 HydrophobicContact CZ-CG1 3.98Å; M60-I337 HydrophobicContact CE-CG2 3.93Å; L61-I337 HydrophobicContact CD2-CG1 4.05Å; I326-I337 HydrophobicContact CG2-CD1 4.26Å; I326-I337 HydrophobicContact CG2-CG2 3.7Å; L329-I337 HydrophobicContact CB-CD1 3.66Å; L329-I337 HydrophobicContact CD1-CD1 4Å; L329-I337 HydrophobicContact CG-CD1 4.49Å; E334-I337 HydrophobicContact CB-CD1 3.86Å; E334-I337 HydrophobicContact CB-CG1 4.22Å; E334-I337 HydrophobicContact CG-CD1 3.79Å; E334-I337 HydrophobicContact CG-CG1 4.2Å; E334-I337 PolarHBondContact O-N 2.88Å; S335-I337 VanDerWaalsContact C-N 3.29Å; S335-I337 PolarHBondContact O-N 2.96Å
338C98.8Very high98.8Very high34 Ų3430 Ų3023%0.2317%0.172CC..PPolyproline II helixtrans-61.6163.3173.9-72.50000111M60 S330 R349M60-C338 HydrophobicContact CE-CB 4.24Å; M60-C338 WeakPolarHBondContact CE-O 3.35Å; M60-C338 WeakPolarHBondContact O-CB 3.44Å; M60-C338 PolarHBondContact O-N 3.36Å; S330-C338 WeakPolarHBondContact CB-O 3.43Å; S330-C338 PolarHBondContact OG-O 3.13Å; C338-R349 PolarHBondContact SG-NH2 3.38Å
339K98.9Very high98.8Very high108 Ų10834.1 Ų34.147%0.4719%0.188SC..PPolyproline II helixtrans-78.3132.6173.4-170.1170.9179.6169.70110.3S330 S347 T348S330-K339 WeakPolarHBondContact OG-CA 3.5Å; K339-S347 CarbonylContact O-C 3.56Å; K339-S347 WeakPolarHBondContact O-CA 3.49Å; K339-T348 HydrophobicContact CB-CG2 3.97Å; K339-T348 HydrophobicContact CD-CG2 4.22Å; K339-T348 HydrophobicContact CG-CG2 3.89Å; K339-T348 PolarHBondContact O-N 3.13Å; K339-T348 PolarHBondContact O-OG1 2.63Å
340V98.9Very high98.8Very high4 Ų434.4 Ų34.42%0.02419%0.19CC..EExtended strand (participates in β ladder)trans-86.9138.917568.20000110.4M60 F274 C327 S330 L331 P342 V346M60-V340 HydrophobicContact CE-CB 3.83Å; M60-V340 HydrophobicContact SD-CB 4.04Å; M60-V340 HydrophobicContact SD-CG2 4.27Å; F274-V340 HydrophobicContact CE2-CG1 4.29Å; F274-V340 HydrophobicContact CE2-CG2 4.03Å; C327-V340 HydrophobicContact CB-CG2 4.44Å; S330-V340 PolarHBondContact OG-N 3.42Å; L331-V340 HydrophobicContact CD2-CG1 3.85Å; L331-V340 HydrophobicContact CG-CG1 4.12Å; V340-P342 WeakPolarHBondContact O-CD 3.21Å; V340-V346 WeakPolarHBondContact CG2-O 3.29Å
341H98.9Very high98.8Very high46 Ų4634.9 Ų34.921%0.21319%0.193CC..EExtended strand (participates in β ladder)trans-77.1111.3167-176.1-59.9000109.2A343 L344 N345 V346H341-A343 PolarHBondContact ND1-N 3.42Å; H341-A343 PolarHBondContact O-N 3.48Å; H341-L344 HydrophobicContact CB-CB 4.49Å; H341-L344 PolarHBondContact ND1-N 3.41Å; H341-L344 VanDerWaalsContact ND1-N 3.13Å; H341-N345 PolarHBondContact O-N 2.97Å; H341-V346 HydrophobicContact CB-CG2 4.48Å; H341-V346 WeakPolarHBondContact CB-O 3.32Å; H341-V346 PolarHBondContact N-O 3.5Å
342P98.7Very high98.8Very high25 Ų2540 Ų4016%0.16222%0.217CC..THydrogen-bonded Turntrans-69.6-25.4-164.326.1-34.9000115.1F224 A278 K281 L282 V340F224-P342 VanDerWaalsContact CE2-O 3.32Å; F224-P342 WeakPolarHBondContact CE2-O 3.36Å; A278-P342 HydrophobicContact CB-CB 4.04Å; K281-P342 HydrophobicContact CB-CB 4.2Å; K281-P342 HydrophobicContact CB-CG 4.47Å; K281-P342 HydrophobicContact CG-CB 4.25Å; K281-P342 HydrophobicContact CG-CG 4.1Å; L282-P342 HydrophobicContact CD2-CB 4.08Å; L282-P342 HydrophobicContact CD2-CG 3.75Å; L282-P342 HydrophobicContact CG-CB 4.14Å; L282-P342 HydrophobicContact CG-CG 4.3Å; V340-P342 WeakPolarHBondContact O-CD 3.21Å
343A98.9Very high98.7Very high3 Ų341.9 Ų41.93%0.02522%0.222CC..THydrogen-bonded Turntrans-87.7-47.1175.900000113.1Y176 A228 C231 L232 L282 H341 N345Y176-A343 VanDerWaalsContact CE2-O 3.3Å; Y176-A343 WeakPolarHBondContact CE2-O 3.45Å; Y176-A343 PolarHBondContact OH-O 3.37Å; A228-A343 HydrophobicContact CB-CB 4.26Å; C231-A343 HydrophobicContact CB-CB 4.13Å; L232-A343 HydrophobicContact CD2-CB 4.01Å; L232-A343 HydrophobicContact CG-CB 4.02Å; L282-A343 HydrophobicContact CD1-CB 4.18Å; L282-A343 HydrophobicContact CD2-CB 3.88Å; H341-A343 PolarHBondContact ND1-N 3.42Å; H341-A343 PolarHBondContact O-N 3.48Å; A343-N345 VanDerWaalsContact C-N 3.35Å
344L98.8Very high98.7Very high2 Ų235.6 Ų35.61%0.0119%0.193CC..THydrogen-bonded Turntrans-78.1-14.5-175.8-165.661.4000114.5Y183 M184 L232 H341 V346 L354Y183-L344 HydrophobicContact CD1-CD1 3.65Å; Y183-L344 HydrophobicContact CD1-CD2 4.16Å; Y183-L344 HydrophobicContact CE1-CD1 4.16Å; Y183-L344 HydrophobicContact CE1-CD2 3.89Å; Y183-L344 HydrophobicContact CG-CD1 4.44Å; M184-L344 HydrophobicContact CG-CD1 4.14Å; L232-L344 HydrophobicContact CD2-CB 4.28Å; L232-L344 HydrophobicContact CD2-CD1 4.07Å; H341-L344 HydrophobicContact CB-CB 4.49Å; H341-L344 PolarHBondContact ND1-N 3.41Å; H341-L344 VanDerWaalsContact ND1-N 3.13Å; L344-V346 HydrophobicContact CB-CG2 4.13Å; L344-V346 HydrophobicContact CD2-CG2 3.73Å; L344-V346 HydrophobicContact CG-CG2 3.85Å; L344-V346 PolarHBondContact O-N 2.9Å; L344-L354 HydrophobicContact CD2-CD2 3.66Å
345N98.9Very high98.7Very high4 Ų438.2 Ų38.22%0.02121%0.208CC..THydrogen-bonded Turntrans58.946.9176.7-177.236.7000113.1F52 Y126 Y176 F274 Y323 H341 A343F52-N345 WeakPolarHBondContact CZ-ND2 3.42Å; F52-N345 WeakPolarHBondContact CZ-O 3.29Å; Y126-N345 PolarHBondContact OH-ND2 3.26Å; Y176-N345 WeakPolarHBondContact OH-CB 3.43Å; F274-N345 HydrophobicContact CE1-CB 4.48Å; F274-N345 HydrophobicContact CZ-CB 4.04Å; F274-N345 WeakPolarHBondContact CZ-OD1 3.44Å; Y323-N345 VanDerWaalsContact CE1-OD1 3.28Å; Y323-N345 WeakPolarHBondContact CE1-OD1 3.5Å; Y323-N345 PolarHBondContact OH-O 3.35Å; Y323-N345 PolarHBondContact OH-OD1 2.97Å; H341-N345 PolarHBondContact O-N 2.97Å; A343-N345 VanDerWaalsContact C-N 3.35Å
346V98.9Very high98.7Very high2 Ų238 Ų381%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-140.8169.2173.1-65.90000108.5S130 I134 V340 H341 L344 T350S130-V346 WeakPolarHBondContact OG-CG1 3.33Å; I134-V346 HydrophobicContact CD1-CG1 4.26Å; I134-V346 HydrophobicContact CG1-CG1 4.4Å; V340-V346 WeakPolarHBondContact CG2-O 3.29Å; H341-V346 HydrophobicContact CB-CG2 4.48Å; H341-V346 WeakPolarHBondContact CB-O 3.32Å; H341-V346 PolarHBondContact N-O 3.5Å; L344-V346 HydrophobicContact CB-CG2 4.13Å; L344-V346 HydrophobicContact CD2-CG2 3.73Å; L344-V346 HydrophobicContact CG-CG2 3.85Å; L344-V346 PolarHBondContact O-N 2.9Å; V346-T350 HydrophobicContact CB-CG2 3.79Å; V346-T350 HydrophobicContact CG1-CG2 4.09Å; V346-T350 HydrophobicContact CG2-CG2 3.94Å
347S98.9Very high98.7Very high0 Ų036.8 Ų36.80%018%0.181CC..EExtended strand (participates in β ladder)trans-61154.2170.574.50000111.6D59 M60 K339 R349 T350 S351D59-S347 WeakPolarHBondContact OD2-CB 3.14Å; D59-S347 PolarHBondContact OD2-OG 2.92Å; M60-S347 VanDerWaalsContact SD-CA 3.54Å; M60-S347 VanDerWaalsContact SD-CB 3.58Å; K339-S347 CarbonylContact O-C 3.56Å; K339-S347 WeakPolarHBondContact O-CA 3.49Å; S347-R349 PolarHBondContact O-N 2.92Å; S347-T350 PolarHBondContact O-N 2.91Å; S347-T350 VanDerWaalsContact O-N 3.16Å; S347-T350 WeakPolarHBondContact OG-CB 3.21Å; S347-T350 PolarHBondContact OG-N 3.35Å; S347-T350 PolarHBondContact OG-OG1 3.37Å; S347-S351 PolarHBondContact O-N 3.41Å
348T98.8Very high98.7Very high39 Ų3936.5 Ų36.524%0.23918%0.18CC..Hα-helixtrans-60.1-36.9174.851.60000111.5K339 T350 S351 E352K339-T348 HydrophobicContact CB-CG2 3.97Å; K339-T348 HydrophobicContact CD-CG2 4.22Å; K339-T348 HydrophobicContact CG-CG2 3.89Å; K339-T348 PolarHBondContact O-N 3.13Å; K339-T348 PolarHBondContact O-OG1 2.63Å; T348-T350 PolarHBondContact O-N 3.1Å; T348-S351 WeakPolarHBondContact CA-OG 3.39Å; T348-S351 CarbonylContact O-C 3.55Å; T348-S351 PolarHBondContact O-N 3.28Å; T348-S351 VanDerWaalsContact O-N 3.11Å; T348-S351 PolarHBondContact O-OG 3.26Å; T348-E352 WeakPolarHBondContact O-CG 3.34Å; T348-E352 PolarHBondContact O-N 2.98Å
349R98.8Very high98.6Very high88 Ų8840.8 Ų40.833%0.33220%0.196SC..Hα-helixtrans-53.9-49.5171.8178.7-151.3-48.7-175.5-10.3112.1D59 D62 C338 S347 S351 E352 R353D59-R349 IonicContact OD1-CZ 3.6Å; D59-R349 IonicContact OD1-NE 3.5Å; D59-R349 IonicContact OD1-NH1 3.99Å; D59-R349 PolarHBondContact OD1-NH1 3.14Å; D62-R349 VanDerWaalsContact CG-NH2 3.26Å; D62-R349 IonicContact OD1-CZ 3.48Å; D62-R349 VanDerWaalsContact OD1-CZ 3.28Å; D62-R349 IonicContact OD1-NH1 3.44Å; D62-R349 PolarHBondContact OD1-NH1 3.03Å; D62-R349 VanDerWaalsContact OD1-NH1 3.11Å; D62-R349 IonicContact OD1-NH2 2.64Å; D62-R349 PolarHBondContact OD1-NH2 3.28Å; C338-R349 PolarHBondContact SG-NH2 3.38Å; S347-R349 PolarHBondContact O-N 2.92Å; R349-S351 VanDerWaalsContact C-N 3.32Å; R349-S351 PolarHBondContact O-N 3.26Å; R349-E352 PolarHBondContact O-N 3.35Å; R349-R353 PolarHBondContact O-N 3.26Å
350T98.9Very high98.4Very high6 Ų637.5 Ų37.54%0.03719%0.187CC..Hα-helixtrans-63.9-38.7177.2-72.60000111.2D59 V133 I134 V346 S347 T348 R353 L354D59-T350 PolarHBondContact OD2-OG1 3.36Å; V133-T350 HydrophobicContact CB-CG2 4.44Å; V133-T350 HydrophobicContact CG1-CG2 3.85Å; I134-T350 HydrophobicContact CG1-CG2 3.7Å; V346-T350 HydrophobicContact CB-CG2 3.79Å; V346-T350 HydrophobicContact CG1-CG2 4.09Å; V346-T350 HydrophobicContact CG2-CG2 3.94Å; S347-T350 PolarHBondContact O-N 2.91Å; S347-T350 VanDerWaalsContact O-N 3.16Å; S347-T350 WeakPolarHBondContact OG-CB 3.21Å; S347-T350 PolarHBondContact OG-N 3.35Å; S347-T350 PolarHBondContact OG-OG1 3.37Å; T348-T350 PolarHBondContact O-N 3.1Å; T350-R353 PolarHBondContact O-N 3.29Å; T350-L354 PolarHBondContact O-N 3.23Å
351S98.7Very high98.2Very high12 Ų1238.8 Ų38.88%0.08419%0.191CC..Hα-helixtrans-67.7-34.9175.369.70000113.5S347 T348 R349 L354 L355S347-S351 PolarHBondContact O-N 3.41Å; T348-S351 WeakPolarHBondContact CA-OG 3.39Å; T348-S351 CarbonylContact O-C 3.55Å; T348-S351 PolarHBondContact O-N 3.28Å; T348-S351 VanDerWaalsContact O-N 3.11Å; T348-S351 PolarHBondContact O-OG 3.26Å; R349-S351 VanDerWaalsContact C-N 3.32Å; R349-S351 PolarHBondContact O-N 3.26Å; S351-L354 WeakPolarHBondContact O-CB 3.34Å; S351-L354 PolarHBondContact O-N 3.34Å; S351-L355 WeakPolarHBondContact O-CG 3.38Å; S351-L355 PolarHBondContact O-N 3.03Å; S351-L355 VanDerWaalsContact O-N 3.07Å
352E98.7Very high97.7Very high112 Ų11242.6 Ų42.652%0.52321%0.207SC..Hα-helixtrans-64.7-46.7174.4-73.5159.8-170.500110.5T348 R349 L354 L355 D356T348-E352 WeakPolarHBondContact O-CG 3.34Å; T348-E352 PolarHBondContact O-N 2.98Å; R349-E352 PolarHBondContact O-N 3.35Å; E352-L354 VanDerWaalsContact C-N 3.26Å; E352-L354 PolarHBondContact O-N 3.29Å; E352-L355 WeakPolarHBondContact O-CA 3.27Å; E352-L355 WeakPolarHBondContact O-CB 3.19Å; E352-L355 PolarHBondContact O-N 3.03Å; E352-D356 PolarHBondContact O-N 2.92Å
353R98.6Very high96.9Very high63 Ų6345.2 Ų45.224%0.23822%0.223CC..Hα-helixtrans-56.6-40.8173.1-178.6178.6-179.4-89.7-23.9112.3V133 G136 D137 R349 T350 L355 D356 L357V133-R353 VanDerWaalsContact CA-NH1 3.34Å; V133-R353 PolarHBondContact O-NH1 3.45Å; G136-R353 PolarHBondContact O-NH2 3.45Å; D137-R353 VanDerWaalsContact O-CZ 3.27Å; D137-R353 PolarHBondContact O-NH1 2.75Å; D137-R353 PolarHBondContact O-NH2 3.35Å; R349-R353 PolarHBondContact O-N 3.26Å; T350-R353 PolarHBondContact O-N 3.29Å; R353-L355 VanDerWaalsContact C-N 3.32Å; R353-L355 PolarHBondContact O-N 3.07Å; R353-D356 PolarHBondContact O-N 3.34Å; R353-L357 WeakPolarHBondContact O-CG 3.26Å; R353-L357 PolarHBondContact O-N 2.84Å
354L98.6Very high95.7Very high3 Ų351.3 Ų51.32%0.01625%0.249CC..Hα-helixtrans-62.9-39176.4-17762.1000112V133 Y183 M184 L344 T350 S351 E352 L357 H358V133-L354 HydrophobicContact CG1-CB 4.1Å; V133-L354 HydrophobicContact CG1-CD1 4.28Å; V133-L354 HydrophobicContact CG2-CD1 4.11Å; Y183-L354 HydrophobicContact CD1-CD2 4.12Å; Y183-L354 HydrophobicContact CE1-CD2 4Å; M184-L354 HydrophobicContact CB-CD2 4.41Å; M184-L354 HydrophobicContact CG-CD2 3.9Å; L344-L354 HydrophobicContact CD2-CD2 3.66Å; T350-L354 PolarHBondContact O-N 3.23Å; S351-L354 WeakPolarHBondContact O-CB 3.34Å; S351-L354 PolarHBondContact O-N 3.34Å; E352-L354 VanDerWaalsContact C-N 3.26Å; E352-L354 PolarHBondContact O-N 3.29Å; L354-L357 WeakPolarHBondContact O-CB 3.17Å; L354-L357 PolarHBondContact O-N 2.9Å; L354-H358 WeakPolarHBondContact CD1-NE2 3.18Å; L354-H358 PolarHBondContact O-CD2 3.36Å; L354-H358 VanDerWaalsContact O-CD2 3.31Å; L354-H358 VanDerWaalsContact O-CG 3.26Å; L354-H358 PolarHBondContact O-N 3.28Å
355L98.1Very high94.5Very high82 Ų8256 Ų5643%0.42927%0.274SS..Hα-helixtrans-62.9-41.9174.4-67.1170.6000111.4S351 E352 R353 L357 H358 Q359S351-L355 WeakPolarHBondContact O-CG 3.38Å; S351-L355 PolarHBondContact O-N 3.03Å; S351-L355 VanDerWaalsContact O-N 3.07Å; E352-L355 WeakPolarHBondContact O-CA 3.27Å; E352-L355 WeakPolarHBondContact O-CB 3.19Å; E352-L355 PolarHBondContact O-N 3.03Å; R353-L355 VanDerWaalsContact C-N 3.32Å; R353-L355 PolarHBondContact O-N 3.07Å; L355-L357 VanDerWaalsContact C-N 3.34Å; L355-L357 PolarHBondContact O-N 2.69Å; L355-H358 PolarHBondContact O-N 3.32Å; L355-Q359 WeakPolarHBondContact O-CG 3.46Å; L355-Q359 PolarHBondContact O-N 3.49Å
356D98.1Very high92.7Very high103 Ų10359.6 Ų59.655%0.55130%0.3SS*.Hα-helixtrans-62.4-42175.2-65.3-22.9000111.5E352 R353 H358 Q359 S360E352-D356 PolarHBondContact O-N 2.92Å; R353-D356 PolarHBondContact O-N 3.34Å; D356-H358 PolarHBondContact O-N 2.82Å; D356-Q359 PolarHBondContact O-N 2.94Å; D356-S360 PolarHBondContact O-N 3.46Å
357L97.9Very high90.7Very high17 Ų1766.1 Ų66.19%0.08933%0.328CS..Hα-helixtrans-59.5-45.9173.8-73.5175.6000111.4D138 R353 L354 L355 Q359 S360 W361D138-L357 HydrophobicContact CB-CD2 3.85Å; R353-L357 WeakPolarHBondContact O-CG 3.26Å; R353-L357 PolarHBondContact O-N 2.84Å; L354-L357 WeakPolarHBondContact O-CB 3.17Å; L354-L357 PolarHBondContact O-N 2.9Å; L355-L357 VanDerWaalsContact C-N 3.34Å; L355-L357 PolarHBondContact O-N 2.69Å; L357-Q359 VanDerWaalsContact C-N 3.33Å; L357-Q359 PolarHBondContact O-N 3.46Å; L357-S360 WeakPolarHBondContact O-CB 3.45Å; L357-S360 PolarHBondContact O-N 2.92Å; L357-S360 PolarHBondContact O-OG 2.81Å; L357-W361 HydrophobicContact CB-CZ2 4.27Å; L357-W361 VanDerWaalsContact O-CG 3.3Å; L357-W361 PolarHBondContact O-N 2.81Å; L357-W361 VanDerWaalsContact O-N 3.08Å
358H98.3Very high88.9Confident14 Ų1471.8 Ų71.87%0.06535%0.354CS..Hα-helixtrans-61.5-40.4177.6-67.4177.3000112.4Y183 M184 N186 L354 L355 D356 W361 K362Y183-H358 PolarHBondContact O-CE1 3.48Å; Y183-H358 PolarHBondContact O-NE2 3.35Å; M184-H358 PolarHBondContact O-NE2 2.68Å; N186-H358 HydrophobicContact CB-CB 4.47Å; L354-H358 WeakPolarHBondContact CD1-NE2 3.18Å; L354-H358 PolarHBondContact O-CD2 3.36Å; L354-H358 VanDerWaalsContact O-CD2 3.31Å; L354-H358 VanDerWaalsContact O-CG 3.26Å; L354-H358 PolarHBondContact O-N 3.28Å; L355-H358 PolarHBondContact O-N 3.32Å; D356-H358 PolarHBondContact O-N 2.82Å; H358-W361 AromaticContact CD2-CE3 3.91Å; H358-W361 AromaticContact CD2-CZ3 3.5Å; H358-W361 VanDerWaalsContact CD2-CZ3 3.5Å; H358-W361 WeakPolarHBondContact CD2-CZ3 3.42Å; H358-W361 AromaticContact NE2-CZ3 3.98Å; H358-W361 PolarHBondContact O-N 3.2Å; H358-K362 PolarHBondContact O-N 3.05Å
359Q96.5Very high86.6Confident123 Ų12374 Ų7458%0.57537%0.371SS*.Hα-helixtrans-63.8-42.8174.7-69.5178.121.700111.2L355 D356 L357 W361 K362 T363L355-Q359 WeakPolarHBondContact O-CG 3.46Å; L355-Q359 PolarHBondContact O-N 3.49Å; D356-Q359 PolarHBondContact O-N 2.94Å; L357-Q359 VanDerWaalsContact C-N 3.33Å; L357-Q359 PolarHBondContact O-N 3.46Å; Q359-W361 VanDerWaalsContact C-N 3.31Å; Q359-W361 PolarHBondContact O-N 3.09Å; Q359-K362 PolarHBondContact O-N 3.16Å; Q359-T363 PolarHBondContact O-N 2.93Å
360S95.7Very high84.3Confident40 Ų4072.8 Ų72.828%0.2838%0.375SS..Hα-helixtrans-59.7-39.3178.383.80000112.3D356 L357 T363 K364D356-S360 PolarHBondContact O-N 3.46Å; L357-S360 WeakPolarHBondContact O-CB 3.45Å; L357-S360 PolarHBondContact O-N 2.92Å; L357-S360 PolarHBondContact O-OG 2.81Å; S360-T363 PolarHBondContact O-N 3.4Å; S360-T363 PolarHBondContact O-OG1 3.39Å; S360-K364 PolarHBondContact O-N 3.3Å
361W94.1Very high82.2Confident31 Ų3178.5 Ų78.512%0.11740%0.401CS..Hα-helixtrans-65.8-42.9179.1-59.2-16.9000111.9L139 N186 L357 H358 Q359 T363 K364 D365L139-W361 HydrophobicContact CB-CZ2 4.24Å; L139-W361 HydrophobicContact CD1-CH2 4.05Å; L139-W361 HydrophobicContact CD1-CZ2 4.22Å; N186-W361 HydrophobicContact CB-CE3 4.44Å; N186-W361 HydrophobicContact CB-CZ3 4.25Å; L357-W361 HydrophobicContact CB-CZ2 4.27Å; L357-W361 VanDerWaalsContact O-CG 3.3Å; L357-W361 PolarHBondContact O-N 2.81Å; L357-W361 VanDerWaalsContact O-N 3.08Å; H358-W361 AromaticContact CD2-CE3 3.91Å; H358-W361 AromaticContact CD2-CZ3 3.5Å; H358-W361 VanDerWaalsContact CD2-CZ3 3.5Å; H358-W361 WeakPolarHBondContact CD2-CZ3 3.42Å; H358-W361 AromaticContact NE2-CZ3 3.98Å; H358-W361 PolarHBondContact O-N 3.2Å; Q359-W361 VanDerWaalsContact C-N 3.31Å; Q359-W361 PolarHBondContact O-N 3.09Å; W361-T363 VanDerWaalsContact C-N 3.27Å; W361-T363 PolarHBondContact O-N 3.24Å; W361-K364 PolarHBondContact O-N 3.13Å; W361-K364 VanDerWaalsContact O-N 3.13Å; W361-D365 PolarHBondContact O-N 3.11Å
362K88.7Confident80Confident125 Ų12582.3 Ų82.354%0.54342%0.421SS..Hα-helixtrans-58.2-38.3176.4-69178.4-178.5178.70112.7H358 Q359 S366H358-K362 PolarHBondContact O-N 3.05Å; Q359-K362 PolarHBondContact O-N 3.16Å; K362-S366 WeakPolarHBondContact O-CB 3.48Å; K362-S366 PolarHBondContact O-N 3Å; K362-S366 VanDerWaalsContact O-N 3.11Å; K362-S366 PolarHBondContact O-OG 3.03Å
363T81.1Confident77.8Confident81 Ų8181.6 Ų81.650%0.49742%0.424SS..Hα-helixtrans-70.1-36.5178.463.80000112.6Q359 S360 W361 K367Q359-T363 PolarHBondContact O-N 2.93Å; S360-T363 PolarHBondContact O-N 3.4Å; S360-T363 PolarHBondContact O-OG1 3.39Å; W361-T363 VanDerWaalsContact C-N 3.27Å; W361-T363 PolarHBondContact O-N 3.24Å; T363-K367 WeakPolarHBondContact O-CG 3.37Å; T363-K367 PolarHBondContact O-N 3.28Å; T363-K367 VanDerWaalsContact O-N 3.09Å
364K75.4Confident75.4Confident130 Ų13085.6 Ų85.657%0.56545%0.445SS*.Hα-helixtrans-66-45.7176.1-73-177.5178.3179.90111.3S360 W361 S366 K367 Q368S360-K364 PolarHBondContact O-N 3.3Å; W361-K364 PolarHBondContact O-N 3.13Å; W361-K364 VanDerWaalsContact O-N 3.13Å; K364-S366 VanDerWaalsContact C-N 3.3Å; K364-S366 PolarHBondContact O-N 3.09Å; K364-K367 PolarHBondContact O-N 3.27Å; K364-Q368 WeakPolarHBondContact O-CB 3.42Å; K364-Q368 PolarHBondContact O-N 2.73Å
365D72.5Confident73.2Confident102 Ų10291.9 Ų91.955%0.54548%0.477SS..Hα-helixtrans-62.1-39.8178.2-63.5-18.1000111.5W361 C369W361-D365 PolarHBondContact O-N 3.11Å; D365-C369 PolarHBondContact O-N 3.13Å
366S60.6Low70.7Confident79 Ų7992.9 Ų92.955%0.55249%0.491SS*.Hα-helixtrans-65.3-42.2177.8-57.30000112.5K362 K364 S370K362-S366 WeakPolarHBondContact O-CB 3.48Å; K362-S366 PolarHBondContact O-N 3Å; K362-S366 VanDerWaalsContact O-N 3.11Å; K362-S366 PolarHBondContact O-OG 3.03Å; K364-S366 VanDerWaalsContact C-N 3.3Å; K364-S366 PolarHBondContact O-N 3.09Å; S366-S370 PolarHBondContact O-N 3.44Å; S366-S370 VanDerWaalsContact O-N 3.13Å; S366-S370 PolarHBondContact O-OG 3.45Å
367K58.7Low68Low139 Ų13995.8 Ų95.860%0.60451%0.513SS*.Hα-helixtrans-67-42.4177.2-75.7-178177.9-175.30112.1T363 K364 C369 S370 E371T363-K367 WeakPolarHBondContact O-CG 3.37Å; T363-K367 PolarHBondContact O-N 3.28Å; T363-K367 VanDerWaalsContact O-N 3.09Å; K364-K367 PolarHBondContact O-N 3.27Å; K367-C369 VanDerWaalsContact C-N 3.33Å; K367-C369 PolarHBondContact O-N 3.11Å; K367-S370 WeakPolarHBondContact CA-OG 3.44Å; K367-S370 PolarHBondContact O-N 2.98Å; K367-S370 VanDerWaalsContact O-N 3.15Å; K367-S370 PolarHBondContact O-OG 2.73Å; K367-E371 PolarHBondContact O-N 3.15Å
368Q59.9Low66.5Low119 Ų11999.7 Ų99.756%0.55653%0.534SS*.Hα-helixtrans-65.5-36.1178.4-161.9168.96.800111.9K364 N372K364-Q368 WeakPolarHBondContact O-CB 3.42Å; K364-Q368 PolarHBondContact O-N 2.73Å; Q368-N372 WeakPolarHBondContact O-CB 3.4Å; Q368-N372 VanDerWaalsContact O-CG 3.28Å; Q368-N372 PolarHBondContact O-N 3.27Å; Q368-N372 VanDerWaalsContact O-N 3.11Å; Q368-N372 PolarHBondContact O-ND2 3.36Å
369C50.3Low64.8Low86 Ų86104.2 Ų104.258%0.58156%0.558SS**Hα-helixtrans-63.1-42.8169.8-86.60000112.7D365 K367 V373D365-C369 PolarHBondContact O-N 3.13Å; K367-C369 VanDerWaalsContact C-N 3.33Å; K367-C369 PolarHBondContact O-N 3.11Å; C369-V373 VanDerWaalsContact O-CG2 3.29Å; C369-V373 WeakPolarHBondContact O-CG2 3.29Å; C369-V373 PolarHBondContact O-N 3.15Å
370S51.7Low63Low61 Ų61103.2 Ų103.243%0.42756%0.558SS.*Hα-helixtrans-68.3-35178.653.40000113.9S366 K367 H374S366-S370 PolarHBondContact O-N 3.44Å; S366-S370 VanDerWaalsContact O-N 3.13Å; S366-S370 PolarHBondContact O-OG 3.45Å; K367-S370 WeakPolarHBondContact CA-OG 3.44Å; K367-S370 PolarHBondContact O-N 2.98Å; K367-S370 VanDerWaalsContact O-N 3.15Å; K367-S370 PolarHBondContact O-OG 2.73Å; S370-H374 PolarHBondContact O-CD2 3.44Å; S370-H374 PolarHBondContact O-N 3.16Å
371E53.4Low61.1Low126 Ų126106.9 Ų106.959%0.58957%0.574SS**Hα-helixtrans-71.5-39.4176.9-73.8175.3178.300111.9K367 V373 H374 I375K367-E371 PolarHBondContact O-N 3.15Å; E371-V373 VanDerWaalsContact C-N 3.29Å; E371-V373 PolarHBondContact O-N 3.38Å; E371-H374 PolarHBondContact O-N 3.31Å; E371-H374 VanDerWaalsContact O-N 3.16Å; E371-I375 WeakPolarHBondContact O-CG1 3.45Å; E371-I375 PolarHBondContact O-N 3.22Å; E371-I375 VanDerWaalsContact O-N 3.15Å
372N52.2Low59.1Low93 Ų93111.6 Ų111.650%0.49760%0.602SS.*Hα-helixtrans-65.7-30.7175.8-73.8-22.3000112.8Q368 S376Q368-N372 WeakPolarHBondContact O-CB 3.4Å; Q368-N372 VanDerWaalsContact O-CG 3.28Å; Q368-N372 PolarHBondContact O-N 3.27Å; Q368-N372 VanDerWaalsContact O-N 3.11Å; Q368-N372 PolarHBondContact O-ND2 3.36Å; N372-S376 WeakPolarHBondContact O-CB 3.5Å; N372-S376 PolarHBondContact O-N 3.49Å; N372-S376 PolarHBondContact O-OG 3.46Å
373V52.5Low57.1Low97 Ų97110.7 Ų110.759%0.58861%0.606SS**Hα-helixtrans-69.8-34.9173.8172.70000111.5C369 E371 S376C369-V373 VanDerWaalsContact O-CG2 3.29Å; C369-V373 WeakPolarHBondContact O-CG2 3.29Å; C369-V373 PolarHBondContact O-N 3.15Å; E371-V373 VanDerWaalsContact C-N 3.29Å; E371-V373 PolarHBondContact O-N 3.38Å; V373-S376 PolarHBondContact O-N 2.69Å
374H49.9Very low55.4Low146 Ų146112.9 Ų112.968%0.67661%0.614SS**Hα-helixtrans-78.2-20.2178.4-81.8-45.1000115S370 E371 T377S370-H374 PolarHBondContact O-CD2 3.44Å; S370-H374 PolarHBondContact O-N 3.16Å; E371-H374 PolarHBondContact O-N 3.31Å; E371-H374 VanDerWaalsContact O-N 3.16Å; H374-T377 PolarHBondContact O-OG1 3.48Å
375I51Low53.8Low136 Ų136111.5 Ų111.570%0.69762%0.618SS**Hα-helixtrans-87.1-13.1175-61.6165.8000111.4E371E371-I375 WeakPolarHBondContact O-CG1 3.45Å; E371-I375 PolarHBondContact O-N 3.22Å; E371-I375 VanDerWaalsContact O-N 3.15Å
376S46Very low52.3Low103 Ų103112.3 Ų112.372%0.7262%0.624SS**  trans-98.810.3-177.6-51.40000114.2N372 V373N372-S376 WeakPolarHBondContact O-CB 3.5Å; N372-S376 PolarHBondContact O-N 3.49Å; N372-S376 PolarHBondContact O-OG 3.46Å; V373-S376 PolarHBondContact O-N 2.69Å
377T41.2Very low51.5Low163 Ų163115.4 Ų115.4100%163%0.631SS**  trans-1230175.151.10000109.8H374H374-T377 PolarHBondContact O-OG1 3.48Å

Retrieved 377 of 377 residues in 112.2 ms (Link to these results)

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