A0A060CXH0_MAIZE Loading...

Agamous-like MADS-box protein AGL29

AlphaFold DB , UniProt , Accession A0A060CXH0, Species MAIZE (Zea mays, Maize), Gene MADS13, Length 268 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
1M71.3Confident91Very high248 Ų248151.6 Ų151.6100%1.22272%0.722SS**  0135.10-69.4-176.5-178.400109.2
2T88.1Confident91.4Very high137 Ų137152.2 Ų152.284%0.8472%0.723SS**PPolyproline II helixtrans-82.1152.6177.1-50.40000111K4T2-K4 PolarHBondContact O-N 3.24Å
3R90.4Very high91.7Very high225 Ų225147.8 Ų147.885%0.84971%0.706SS**PPolyproline II helixtrans-66.3126.3175.3-173.4179.3-178.3-174.3-0.1110.3
4K92.4Very high91.9Very high188 Ų188142.7 Ų142.782%0.81768%0.682SS**PPolyproline II helixtrans-84.3142.3172.1-66.1-176.2179.3179.90110.5T2T2-K4 PolarHBondContact O-N 3.24Å
5K93.5Very high92.2Very high216 Ų216143.5 Ų143.594%0.93968%0.684SS**PPolyproline II helixtrans-65.4137.7167.4-172.9177-179.7-178.40108.3
6M91.4Very high92.3Very high87 Ų87137.4 Ų137.443%0.42967%0.665SS.*  trans-129.8143.5-179.653.3-176.4-52.600109.2I11 R24M6-I11 HydrophobicContact CE-CD1 3.78Å; M6-I11 HydrophobicContact CE-CG1 4.13Å; M6-R24 PolarHBondContact SD-NH2 3.49Å; M6-R24 VanDerWaalsContact SD-NH2 3.41Å
7E95.5Very high92.5Very high133 Ų133134.9 Ų134.962%0.62165%0.647SS**  trans-67.2149.6178.4-66.517717400111.3K9E7-K9 VanDerWaalsContact C-N 3.28Å; E7-K9 HydrophobicContact CB-CD 4.27Å; E7-K9 HydrophobicContact CB-CG 4.21Å; E7-K9 PolarHBondContact O-N 3.05Å; E7-K9 VanDerWaalsContact O-N 3.08Å; E7-K9 WeakPolarHBondContact OE2-CD 3.41Å; E7-K9 WeakPolarHBondContact OE2-CE 3.21Å; E7-K9 IonicContact OE2-NZ 3.73Å; E7-K9 PolarHBondContact OE2-NZ 3.44Å
8M95.2Very high92.6Very high170 Ų170131.1 Ų131.184%0.83763%0.628SS**SBendtrans-8572.9176.1-70.8-62.5-69.300110
9K95.6Very high92.7Very high129 Ų129128.2 Ų128.256%0.56162%0.62SS**SBendtrans-140.2165.6174.768-175.1-173.6-166.30109.9E7 I11E7-K9 VanDerWaalsContact C-N 3.28Å; E7-K9 HydrophobicContact CB-CD 4.27Å; E7-K9 HydrophobicContact CB-CG 4.21Å; E7-K9 PolarHBondContact O-N 3.05Å; E7-K9 VanDerWaalsContact O-N 3.08Å; E7-K9 WeakPolarHBondContact OE2-CD 3.41Å; E7-K9 WeakPolarHBondContact OE2-CE 3.21Å; E7-K9 IonicContact OE2-NZ 3.73Å; E7-K9 PolarHBondContact OE2-NZ 3.44Å; K9-I11 PolarHBondContact O-N 3.19Å
10P93.4Very high92.8Very high95 Ų95122.8 Ų122.862%0.61760%0.596SS**  trans-50.7138.4172-27.536.5000111.9
11I94.5Very high93Very high40 Ų40119 Ų11921%0.20558%0.576CS.*  trans-84.8117.4176-59.2170.5000107.6M6 K9 A16 R17 C20M6-I11 HydrophobicContact CE-CD1 3.78Å; M6-I11 HydrophobicContact CE-CG1 4.13Å; K9-I11 PolarHBondContact O-N 3.19Å; I11-A16 HydrophobicContact CG2-CB 3.89Å; I11-R17 HydrophobicContact CB-CB 4.06Å; I11-R17 HydrophobicContact CG2-CB 4.08Å; I11-C20 HydrophobicContact CD1-CB 3.45Å; I11-C20 VanDerWaalsContact CD1-CB 3.45Å; I11-C20 WeakPolarHBondContact CD1-SG 3.24Å
12E95.6Very high94.1Very high158 Ų158109.5 Ų109.574%0.73854%0.535SS*.  trans-72.9-39-176-56.4-56.5157.500113.1E14E12-E14 PolarHBondContact O-N 3.1Å
13N94.8Very high94.5Very high95 Ų95110 Ų11051%0.50853%0.525SS..SBendtrans-74.5120.3178.3179.3-26.6000110.5E15 A16 R17N13-E15 PolarHBondContact O-N 3.46Å; N13-E15 PolarHBondContact OD1-N 3.33Å; N13-A16 HydrophobicContact CB-CB 4.01Å; N13-A16 PolarHBondContact O-N 3.21Å; N13-A16 PolarHBondContact OD1-N 2.73Å; N13-R17 VanDerWaalsContact O-CB 3.32Å; N13-R17 WeakPolarHBondContact O-CB 3.39Å; N13-R17 PolarHBondContact O-N 3.17Å
14E95.4Very high94.8Very high77 Ų77104.9 Ų104.936%0.3651%0.506SS..Hα-helixtrans-60.2-44.1-176.8178.757.8-169.900113.6E12 A16 R17 Q18E12-E14 PolarHBondContact O-N 3.1Å; E14-A16 PolarHBondContact O-N 2.6Å; E14-R17 WeakPolarHBondContact O-CB 3.34Å; E14-R17 PolarHBondContact O-N 3Å; E14-R17 IonicContact OE2-CZ 3.71Å; E14-R17 IonicContact OE2-NE 3.07Å; E14-R17 PolarHBondContact OE2-NE 3.46Å; E14-R17 IonicContact OE2-NH2 2.81Å; E14-R17 PolarHBondContact OE2-NH2 3.21Å; E14-Q18 HydrophobicContact CG-CG 4.47Å; E14-Q18 WeakPolarHBondContact O-CG 3.2Å; E14-Q18 PolarHBondContact O-N 3.23Å; E14-Q18 WeakPolarHBondContact OE1-CG 3.3Å; E14-Q18 PolarHBondContact OE1-NE2 2.8Å
15E95.8Very high95.1Very high154 Ų15498.4 Ų98.472%0.7248%0.476SS*.Hα-helixtrans-64.1-44.6179.4-63-177.9173.700110.8N13 R17 Q18 V19N13-E15 PolarHBondContact O-N 3.46Å; N13-E15 PolarHBondContact OD1-N 3.33Å; E15-R17 VanDerWaalsContact C-N 3.29Å; E15-R17 PolarHBondContact O-N 3.45Å; E15-Q18 PolarHBondContact O-N 2.95Å; E15-V19 VanDerWaalsContact O-CG2 3.32Å; E15-V19 WeakPolarHBondContact O-CG2 3.35Å; E15-V19 PolarHBondContact O-N 3.28Å
16A94.3Very high95.2Very high46 Ų4694.9 Ų94.938%0.3846%0.463SS..Hα-helixtrans-63.7-37.2176.400000111.4I11 N13 E14 C20I11-A16 HydrophobicContact CG2-CB 3.89Å; N13-A16 HydrophobicContact CB-CB 4.01Å; N13-A16 PolarHBondContact O-N 3.21Å; N13-A16 PolarHBondContact OD1-N 2.73Å; E14-A16 PolarHBondContact O-N 2.6Å; A16-C20 WeakPolarHBondContact O-CB 3.43Å; A16-C20 PolarHBondContact O-N 3.16Å
17R94.7Very high95.5Very high96 Ų9692.4 Ų92.436%0.36246%0.46SS..Hα-helixtrans-64.7-47175.9-178.3165.163.8-176.77.7111.5I11 N13 E14 E15 C20 F21I11-R17 HydrophobicContact CB-CB 4.06Å; I11-R17 HydrophobicContact CG2-CB 4.08Å; N13-R17 VanDerWaalsContact O-CB 3.32Å; N13-R17 WeakPolarHBondContact O-CB 3.39Å; N13-R17 PolarHBondContact O-N 3.17Å; E14-R17 WeakPolarHBondContact O-CB 3.34Å; E14-R17 PolarHBondContact O-N 3Å; E14-R17 IonicContact OE2-CZ 3.71Å; E14-R17 IonicContact OE2-NE 3.07Å; E14-R17 PolarHBondContact OE2-NE 3.46Å; E14-R17 IonicContact OE2-NH2 2.81Å; E14-R17 PolarHBondContact OE2-NH2 3.21Å; E15-R17 VanDerWaalsContact C-N 3.29Å; E15-R17 PolarHBondContact O-N 3.45Å; R17-C20 PolarHBondContact O-N 3.11Å; R17-F21 VanDerWaalsContact O-CB 3.3Å; R17-F21 WeakPolarHBondContact O-CB 3.19Å; R17-F21 PolarHBondContact O-N 3.11Å
18Q95Very high95.6Very high65 Ų6588.5 Ų88.530%0.30444%0.443SS..Hα-helixtrans-63.6-43.9177.9-70.4-65.7-10.600112.5E14 E15 F21 S22 T50E14-Q18 HydrophobicContact CG-CG 4.47Å; E14-Q18 WeakPolarHBondContact O-CG 3.2Å; E14-Q18 PolarHBondContact O-N 3.23Å; E14-Q18 WeakPolarHBondContact OE1-CG 3.3Å; E14-Q18 PolarHBondContact OE1-NE2 2.8Å; E15-Q18 PolarHBondContact O-N 2.95Å; Q18-F21 PolarHBondContact O-N 3.48Å; Q18-S22 WeakPolarHBondContact O-CB 3.46Å; Q18-S22 PolarHBondContact O-N 3.29Å; Q18-S22 PolarHBondContact O-OG 3.01Å; Q18-T50 PolarHBondContact NE2-OG1 3.4Å
19V94.4Very high95.8Very high76 Ų7682.2 Ų82.246%0.46141%0.411SS..Hα-helixtrans-65.3-42.7176.1173.10000110.8E15 S22 K23E15-V19 VanDerWaalsContact O-CG2 3.32Å; E15-V19 WeakPolarHBondContact O-CG2 3.35Å; E15-V19 PolarHBondContact O-N 3.28Å; V19-S22 PolarHBondContact O-N 3.06Å; V19-K23 HydrophobicContact CG1-CD 4.11Å; V19-K23 WeakPolarHBondContact O-CG 3.23Å; V19-K23 PolarHBondContact O-N 2.77Å
20C95.1Very high95.9Very high21 Ų2182.5 Ų82.514%0.14241%0.412CS..Hα-helixtrans-64.3-45.5177.7-176.30000111.6I11 A16 R17 S22 K23 R24I11-C20 HydrophobicContact CD1-CB 3.45Å; I11-C20 VanDerWaalsContact CD1-CB 3.45Å; I11-C20 WeakPolarHBondContact CD1-SG 3.24Å; A16-C20 WeakPolarHBondContact O-CB 3.43Å; A16-C20 PolarHBondContact O-N 3.16Å; R17-C20 PolarHBondContact O-N 3.11Å; C20-S22 PolarHBondContact O-N 3.34Å; C20-K23 PolarHBondContact O-N 3.36Å; C20-R24 VanDerWaalsContact O-CB 3.28Å; C20-R24 WeakPolarHBondContact O-CB 3.36Å; C20-R24 WeakPolarHBondContact O-CG 3.31Å; C20-R24 PolarHBondContact O-N 2.81Å; C20-R24 PolarHBondContact SG-NE 3.11Å
21F96.1Very high96.1Very high42 Ų4283.7 Ų83.718%0.18441%0.407CS..Hα-helixtrans-54.9-52174.5176.9-97.3000111.2R17 Q18 K23 R24 R25 V47 F48 Y55R17-F21 VanDerWaalsContact O-CB 3.3Å; R17-F21 WeakPolarHBondContact O-CB 3.19Å; R17-F21 PolarHBondContact O-N 3.11Å; Q18-F21 PolarHBondContact O-N 3.48Å; F21-K23 PolarHBondContact O-N 3.44Å; F21-R24 PolarHBondContact O-N 3.06Å; F21-R25 WeakPolarHBondContact O-CB 3.39Å; F21-R25 PolarHBondContact O-N 2.85Å; F21-V47 HydrophobicContact CE2-CG1 3.55Å; F21-V47 HydrophobicContact CZ-CG1 4.01Å; F21-F48 VanDerWaalsContact CE2-O 3.28Å; F21-F48 WeakPolarHBondContact CE2-O 3.42Å; F21-Y55 HydrophobicContact CE1-CD2 4.05Å; F21-Y55 AromaticContact CE1-CE2 3.78Å; F21-Y55 HydrophobicContact CE1-CE2 3.78Å; F21-Y55 AromaticContact CZ-CD2 3.86Å; F21-Y55 HydrophobicContact CZ-CD2 3.86Å; F21-Y55 AromaticContact CZ-CE2 3.95Å; F21-Y55 HydrophobicContact CZ-CE2 3.95Å
22S96.1Very high96.2Very high50 Ų5082 Ų8235%0.3540%0.399SS..Hα-helixtrans-58.6-47-178.5-630000112.2Q18 V19 C20 Q26Q18-S22 WeakPolarHBondContact O-CB 3.46Å; Q18-S22 PolarHBondContact O-N 3.29Å; Q18-S22 PolarHBondContact O-OG 3.01Å; V19-S22 PolarHBondContact O-N 3.06Å; C20-S22 PolarHBondContact O-N 3.34Å; S22-Q26 WeakPolarHBondContact O-CB 3.47Å; S22-Q26 PolarHBondContact O-N 3.26Å; S22-Q26 VanDerWaalsContact O-N 3.16Å
23K96Very high96.2Very high147 Ų14776.4 Ų76.464%0.63938%0.378SS*.Hα-helixtrans-70-43.8179.8-70.4-179.4178.2179.80112.5V19 C20 F21 Q26 G27V19-K23 HydrophobicContact CG1-CD 4.11Å; V19-K23 WeakPolarHBondContact O-CG 3.23Å; V19-K23 PolarHBondContact O-N 2.77Å; C20-K23 PolarHBondContact O-N 3.36Å; F21-K23 PolarHBondContact O-N 3.44Å; K23-Q26 PolarHBondContact O-N 3.06Å; K23-G27 PolarHBondContact O-N 2.9Å
24R96.4Very high96.3Very high117 Ų11774.8 Ų74.844%0.44237%0.367SS..Hα-helixtrans-67.3-42.5179.8-72.8-169.7-172.8-167.55.9111.5M6 C20 F21 Q26 G27 L28M6-R24 PolarHBondContact SD-NH2 3.49Å; M6-R24 VanDerWaalsContact SD-NH2 3.41Å; C20-R24 VanDerWaalsContact O-CB 3.28Å; C20-R24 WeakPolarHBondContact O-CB 3.36Å; C20-R24 WeakPolarHBondContact O-CG 3.31Å; C20-R24 PolarHBondContact O-N 2.81Å; C20-R24 PolarHBondContact SG-NE 3.11Å; F21-R24 PolarHBondContact O-N 3.06Å; R24-Q26 PolarHBondContact O-N 2.92Å; R24-G27 PolarHBondContact O-N 3.32Å; R24-L28 WeakPolarHBondContact O-CB 3.29Å; R24-L28 PolarHBondContact O-N 3.01Å
25R97.6Very high96.4Very high52 Ų5274.9 Ų74.920%0.19637%0.37CS..Hα-helixtrans-57.8-48.1173.8-177.4-167.266.5-153.8-4.5111.3F21 G27 L28 F29 Y55F21-R25 WeakPolarHBondContact O-CB 3.39Å; F21-R25 PolarHBondContact O-N 2.85Å; R25-G27 PolarHBondContact O-N 3.41Å; R25-L28 WeakPolarHBondContact O-CB 3.15Å; R25-L28 PolarHBondContact O-N 3.12Å; R25-F29 HydrophobicContact CG-CD2 4.36Å; R25-F29 HydrophobicContact CG-CE1 4.14Å; R25-F29 HydrophobicContact CG-CE2 3.89Å; R25-F29 HydrophobicContact CG-CZ 3.76Å; R25-F29 WeakPolarHBondContact O-CG 3.43Å; R25-F29 PolarHBondContact O-N 2.81Å; R25-Y55 VanDerWaalsContact CD-CG 3.49Å; R25-Y55 VanDerWaalsContact NH1-CD1 3.29Å; R25-Y55 VanDerWaalsContact NH1-CE2 3.26Å
26Q97.5Very high96.3Very high142 Ų14267.7 Ų67.766%0.66434%0.337SS*.Hα-helixtrans-62-44.1177.6-172.9-179.625.600112S22 K23 R24 L28 F29 K30S22-Q26 WeakPolarHBondContact O-CB 3.47Å; S22-Q26 PolarHBondContact O-N 3.26Å; S22-Q26 VanDerWaalsContact O-N 3.16Å; K23-Q26 PolarHBondContact O-N 3.06Å; R24-Q26 PolarHBondContact O-N 2.92Å; Q26-L28 VanDerWaalsContact C-N 3.35Å; Q26-L28 PolarHBondContact O-N 3.22Å; Q26-F29 PolarHBondContact O-N 3.06Å; Q26-K30 WeakPolarHBondContact O-CB 3.48Å; Q26-K30 PolarHBondContact O-N 2.96Å
27G97.6Very high96.4Very high35 Ų3571.6 Ų71.636%0.36135%0.35SS..Hα-helixtrans-61.8-40.5175.800000113K23 R24 R25 K30 K31K23-G27 PolarHBondContact O-N 2.9Å; R24-G27 PolarHBondContact O-N 3.32Å; R25-G27 PolarHBondContact O-N 3.41Å; G27-K30 PolarHBondContact O-N 3.28Å; G27-K31 WeakPolarHBondContact O-CG 3.48Å; G27-K31 PolarHBondContact O-N 2.92Å
28L97.6Very high96.5Very high51 Ų5173.6 Ų73.627%0.26737%0.367SS..Hα-helixtrans-61.6-49.4175.9-178.763.5000111.3R24 R25 Q26 K30 K31 A32 S45 V47 L244R24-L28 WeakPolarHBondContact O-CB 3.29Å; R24-L28 PolarHBondContact O-N 3.01Å; R25-L28 WeakPolarHBondContact O-CB 3.15Å; R25-L28 PolarHBondContact O-N 3.12Å; Q26-L28 VanDerWaalsContact C-N 3.35Å; Q26-L28 PolarHBondContact O-N 3.22Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.17Å; L28-K31 PolarHBondContact O-N 2.56Å; L28-A32 WeakPolarHBondContact O-CB 3.43Å; L28-A32 PolarHBondContact O-N 3.38Å; L28-S45 WeakPolarHBondContact CD2-OG 3.4Å; L28-V47 HydrophobicContact CD2-CG2 3.72Å; L28-L244 HydrophobicContact CD1-CD1 3.69Å
29F97.6Very high96.5Very high38 Ų3875 Ų7517%0.16738%0.383CS..Hα-helixtrans-65.1-38.7-179.9-68.3-0.9000111.9R25 Q26 K31 A32 S33 V47 F57R25-F29 HydrophobicContact CG-CD2 4.36Å; R25-F29 HydrophobicContact CG-CE1 4.14Å; R25-F29 HydrophobicContact CG-CE2 3.89Å; R25-F29 HydrophobicContact CG-CZ 3.76Å; R25-F29 WeakPolarHBondContact O-CG 3.43Å; R25-F29 PolarHBondContact O-N 2.81Å; Q26-F29 PolarHBondContact O-N 3.06Å; F29-K31 VanDerWaalsContact C-N 3.33Å; F29-K31 PolarHBondContact O-N 3.26Å; F29-A32 PolarHBondContact O-N 3.39Å; F29-S33 WeakPolarHBondContact O-CB 3.27Å; F29-S33 PolarHBondContact O-N 2.96Å; F29-V47 HydrophobicContact CE1-CG2 4.25Å; F29-F57 HydrophobicContact CB-CB 4.24Å; F29-F57 HydrophobicContact CB-CG 4.49Å; F29-F57 HydrophobicContact CD1-CB 3.71Å; F29-F57 HydrophobicContact CD2-CB 4.22Å; F29-F57 HydrophobicContact CE1-CB 4.05Å; F29-F57 HydrophobicContact CG-CB 3.81Å; F29-F57 HydrophobicContact CZ-CB 4.44Å
30K97.7Very high96.4Very high135 Ų13574.6 Ų74.659%0.58739%0.394SS*.Hα-helixtrans-59.2-45.9172.9-170.3-174.7-176.6-164.80111.2Q26 G27 L28 S33 E34Q26-K30 WeakPolarHBondContact O-CB 3.48Å; Q26-K30 PolarHBondContact O-N 2.96Å; G27-K30 PolarHBondContact O-N 3.28Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.17Å; K30-S33 PolarHBondContact O-N 3.35Å; K30-E34 WeakPolarHBondContact CE-OE1 3.33Å; K30-E34 IonicContact NZ-OE1 3.67Å; K30-E34 WeakPolarHBondContact O-CG 3.3Å; K30-E34 PolarHBondContact O-N 3.44Å
31K97.5Very high96.3Very high120 Ų12074.5 Ų74.552%0.52239%0.394SS..Hα-helixtrans-67-41179.2-71.7-72.3164.8-156.60112.5G27 L28 F29 S33 E34 L35G27-K31 WeakPolarHBondContact O-CG 3.48Å; G27-K31 PolarHBondContact O-N 2.92Å; L28-K31 PolarHBondContact O-N 2.56Å; F29-K31 VanDerWaalsContact C-N 3.33Å; F29-K31 PolarHBondContact O-N 3.26Å; K31-S33 VanDerWaalsContact C-N 3.3Å; K31-S33 PolarHBondContact O-N 3.45Å; K31-E34 WeakPolarHBondContact CD-OE2 3.27Å; K31-E34 WeakPolarHBondContact CE-OE2 3.43Å; K31-E34 IonicContact NZ-OE2 2.71Å; K31-E34 PolarHBondContact NZ-OE2 3.12Å; K31-E34 PolarHBondContact O-N 2.9Å; K31-L35 WeakPolarHBondContact O-CB 3.25Å; K31-L35 VanDerWaalsContact O-CG 3.27Å; K31-L35 WeakPolarHBondContact O-CG 3.5Å; K31-L35 PolarHBondContact O-N 3.33Å
32A96.5Very high96.2Very high4 Ų474 Ų743%0.03340%0.395CS..Hα-helixtrans-61-40.2174.500000111.9L28 F29 L35 S36 V43 F57L28-A32 WeakPolarHBondContact O-CB 3.43Å; L28-A32 PolarHBondContact O-N 3.38Å; F29-A32 PolarHBondContact O-N 3.39Å; A32-L35 PolarHBondContact O-N 2.89Å; A32-S36 PolarHBondContact O-N 2.89Å; A32-V43 HydrophobicContact CB-CG1 3.85Å; A32-F57 HydrophobicContact CB-CD1 3.43Å; A32-F57 VanDerWaalsContact CB-CD1 3.43Å; A32-F57 HydrophobicContact CB-CE1 3.62Å; A32-F57 HydrophobicContact CB-CG 4.33Å
33S96.7Very high96.1Very high41 Ų4171.7 Ų71.729%0.28738%0.379SS..Hα-helixtrans-67.8-42.8174.5179.30000113.1F29 K30 K31 L35 S36 I37 F57F29-S33 WeakPolarHBondContact O-CB 3.27Å; F29-S33 PolarHBondContact O-N 2.96Å; K30-S33 PolarHBondContact O-N 3.35Å; K31-S33 VanDerWaalsContact C-N 3.3Å; K31-S33 PolarHBondContact O-N 3.45Å; S33-L35 VanDerWaalsContact C-N 3.3Å; S33-L35 PolarHBondContact O-N 2.94Å; S33-S36 PolarHBondContact O-N 3.4Å; S33-S36 PolarHBondContact O-OG 3.45Å; S33-I37 WeakPolarHBondContact O-CD1 3.31Å; S33-I37 VanDerWaalsContact O-CG1 3.27Å; S33-I37 WeakPolarHBondContact O-CG1 3.26Å; S33-I37 PolarHBondContact O-N 3.45Å; S33-I37 VanDerWaalsContact O-N 3.12Å; S33-F57 VanDerWaalsContact CA-CZ 3.42Å
34E97.2Very high96Very high61 Ų6164.9 Ų64.929%0.28535%0.35SS..Hα-helixtrans-59.5-43.8173.6-74.1171.2-170.100110.5K30 K31 I37 L38K30-E34 WeakPolarHBondContact CE-OE1 3.33Å; K30-E34 IonicContact NZ-OE1 3.67Å; K30-E34 WeakPolarHBondContact O-CG 3.3Å; K30-E34 PolarHBondContact O-N 3.44Å; K31-E34 WeakPolarHBondContact CD-OE2 3.27Å; K31-E34 WeakPolarHBondContact CE-OE2 3.43Å; K31-E34 IonicContact NZ-OE2 2.71Å; K31-E34 PolarHBondContact NZ-OE2 3.12Å; K31-E34 PolarHBondContact O-N 2.9Å; E34-I37 PolarHBondContact O-N 2.83Å; E34-L38 WeakPolarHBondContact O-CB 3.36Å; E34-L38 VanDerWaalsContact O-CG 3.23Å; E34-L38 WeakPolarHBondContact O-CG 3.35Å; E34-L38 PolarHBondContact O-N 3.36Å
35L96.5Very high95.9Very high80 Ų8059.3 Ų59.342%0.41933%0.329SS..Hα-helixtrans-64.6-42.1178.2-74.2172.9000112.9K31 A32 S33 I37 C39K31-L35 WeakPolarHBondContact O-CB 3.25Å; K31-L35 VanDerWaalsContact O-CG 3.27Å; K31-L35 WeakPolarHBondContact O-CG 3.5Å; K31-L35 PolarHBondContact O-N 3.33Å; A32-L35 PolarHBondContact O-N 2.89Å; S33-L35 VanDerWaalsContact C-N 3.3Å; S33-L35 PolarHBondContact O-N 2.94Å; L35-I37 VanDerWaalsContact C-N 3.29Å; L35-I37 PolarHBondContact O-N 2.71Å; L35-C39 PolarHBondContact O-N 2.99Å; L35-C39 VanDerWaalsContact O-N 3.11Å
36S95.2Very high95.8Very high3 Ų359.1 Ų59.12%0.02133%0.334CS..Hα-helixtrans-63.7-38.2178.469.70000111.5A32 S33 G40 A41A32-S36 PolarHBondContact O-N 2.89Å; S33-S36 PolarHBondContact O-N 3.4Å; S33-S36 PolarHBondContact O-OG 3.45Å; S36-G40 CarbonylContact O-C 3.59Å; S36-G40 WeakPolarHBondContact O-CA 3.4Å; S36-G40 PolarHBondContact O-N 2.93Å; S36-A41 WeakPolarHBondContact CB-O 3.43Å; S36-A41 PolarHBondContact O-N 2.97Å
37I95.5Very high95.7Very high127 Ų12753.3 Ų53.365%0.65131%0.308SS*.Hα-helixtrans-71.5-49.1178.1-66.3165.4000111.4S33 E34 L35 C39S33-I37 WeakPolarHBondContact O-CD1 3.31Å; S33-I37 VanDerWaalsContact O-CG1 3.27Å; S33-I37 WeakPolarHBondContact O-CG1 3.26Å; S33-I37 PolarHBondContact O-N 3.45Å; S33-I37 VanDerWaalsContact O-N 3.12Å; E34-I37 PolarHBondContact O-N 2.83Å; L35-I37 VanDerWaalsContact C-N 3.29Å; L35-I37 PolarHBondContact O-N 2.71Å; I37-C39 PolarHBondContact O-N 3.45Å
38L97.1Very high95.6Very high139 Ų13957.8 Ų57.873%0.72832%0.318SS*.Hα-helixtrans-68.4-36.7-173.2-72.1172.8000113E34E34-L38 WeakPolarHBondContact O-CB 3.36Å; E34-L38 VanDerWaalsContact O-CG 3.23Å; E34-L38 WeakPolarHBondContact O-CG 3.35Å; E34-L38 PolarHBondContact O-N 3.36Å
39C95.5Very high95.4Very high95 Ų9555.8 Ų55.864%0.64231%0.308SS*.Hα-helixtrans-107.1-2.2-174.5-60.70000113.4L35 I37 A41L35-C39 PolarHBondContact O-N 2.99Å; L35-C39 VanDerWaalsContact O-N 3.11Å; I37-C39 PolarHBondContact O-N 3.45Å; C39-A41 HydrophobicContact CB-CB 4.02Å; C39-A41 PolarHBondContact O-N 3.48Å
40G92.3Very high95Very high66 Ų6658.3 Ų58.368%0.6833%0.327SS*.  trans5826.8-168.100000112.6S36S36-G40 CarbonylContact O-C 3.59Å; S36-G40 WeakPolarHBondContact O-CA 3.4Å; S36-G40 PolarHBondContact O-N 2.93Å
41A91.9Very high94.6Very high19 Ų1955.9 Ų55.916%0.15733%0.326CS..  trans-84142-170.700000112S36 C39 V43S36-A41 WeakPolarHBondContact CB-O 3.43Å; S36-A41 PolarHBondContact O-N 2.97Å; C39-A41 HydrophobicContact CB-CB 4.02Å; C39-A41 PolarHBondContact O-N 3.48Å; A41-V43 HydrophobicContact CB-CG2 3.96Å; A41-V43 PolarHBondContact O-N 3.1Å
42T93.3Very high94.3Very high31 Ų3153 Ų5319%0.1933%0.331CS..EExtended strand (participates in β ladder)trans-74.4112.7165.4-53.10000108.7H59 V65 R68T42-H59 WeakPolarHBondContact CA-O 3.49Å; T42-V65 HydrophobicContact CG2-CB 4.37Å; T42-V65 HydrophobicContact CG2-CG1 4.44Å; T42-V65 HydrophobicContact CG2-CG2 3.63Å; T42-R68 PolarHBondContact OG1-NH1 3.08Å; T42-R68 VanDerWaalsContact OG1-NH1 3.11Å
43V94.4Very high94.2Very high2 Ų260.9 Ų60.91%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-126.6134.9-174.5-177.70000109.6A32 A41 G58 H59A32-V43 HydrophobicContact CB-CG1 3.85Å; A41-V43 HydrophobicContact CB-CG2 3.96Å; A41-V43 PolarHBondContact O-N 3.1Å; V43-G58 CarbonylContact O-C 3.55Å; V43-G58 VanDerWaalsContact O-CA 3.3Å; V43-G58 WeakPolarHBondContact O-CA 3.49Å; V43-H59 PolarHBondContact N-O 2.95Å; V43-H59 PolarHBondContact O-N 2.84Å
44G95.1Very high94.1Very high4 Ų462.7 Ų62.74%0.04137%0.372CS..EExtended strand (participates in β ladder)trans-134.2138.7172.700000112F57 I245G44-F57 CarbonylContact C-O 3.57Å; G44-F57 WeakPolarHBondContact CA-O 3.33Å; G44-I245 PolarHBondContact N-O 3.32Å; G44-I245 PolarHBondContact O-N 3.47Å
45S94.2Very high94Very high1 Ų163.1 Ų63.11%0.00737%0.372CS..EExtended strand (participates in β ladder)trans-139.7134.9174-179.30000110.1L28 S56 F57L28-S45 WeakPolarHBondContact CD2-OG 3.4Å; S45-S56 CarbonylContact O-C 3.56Å; S45-S56 VanDerWaalsContact O-CA 3.24Å; S45-S56 WeakPolarHBondContact O-CA 3.36Å; S45-F57 PolarHBondContact N-O 3.11Å; S45-F57 PolarHBondContact O-N 3.45Å
46V95.6Very high94Very high47 Ų4762.3 Ų62.329%0.28537%0.373SS..EExtended strand (participates in β ladder)trans-127.9132.5174.4-174.80000108.5F48 Y55 I62V46-F48 HydrophobicContact CG1-CE2 3.79Å; V46-F48 HydrophobicContact CG1-CZ 3.83Å; V46-Y55 CarbonylContact C-O 3.59Å; V46-Y55 WeakPolarHBondContact CA-O 3.37Å; V46-I62 HydrophobicContact CG2-CD1 3.8Å; V46-I62 HydrophobicContact CG2-CG1 4.15Å
47V95.2Very high94.1Very high20 Ų2064.2 Ų64.212%0.12138%0.381CS..EExtended strand (participates in β ladder)trans-133.9134.2-179.8-173.50000109.3F21 L28 F29 Y55F21-V47 HydrophobicContact CE2-CG1 3.55Å; F21-V47 HydrophobicContact CZ-CG1 4.01Å; L28-V47 HydrophobicContact CD2-CG2 3.72Å; F29-V47 HydrophobicContact CE1-CG2 4.25Å; V47-Y55 PolarHBondContact N-O 2.98Å; V47-Y55 PolarHBondContact O-N 3.48Å
48F95.7Very high94.1Very high129 Ų12959 Ų5957%0.56636%0.359SS*.EExtended strand (participates in β ladder)trans-105.8135.7177.4-61.4-88.2000110.9F21 V46 R53F21-F48 VanDerWaalsContact CE2-O 3.28Å; F21-F48 WeakPolarHBondContact CE2-O 3.42Å; V46-F48 HydrophobicContact CG1-CE2 3.79Å; V46-F48 HydrophobicContact CG1-CZ 3.83Å; F48-R53 WeakPolarHBondContact CA-O 3.15Å
49S92.2Very high94Very high10 Ų1056.4 Ų56.47%0.0734%0.343CS..  trans-75.3164.1168.4630000111.1S51 G52 R53S49-S51 PolarHBondContact O-N 3.17Å; S49-S51 VanDerWaalsContact O-N 3.12Å; S49-S51 PolarHBondContact OG-N 3.02Å; S49-S51 PolarHBondContact OG-OG 2.87Å; S49-G52 PolarHBondContact O-N 3.41Å; S49-R53 PolarHBondContact N-O 3.45Å; S49-R53 WeakPolarHBondContact OG-CB 3.44Å; S49-R53 PolarHBondContact OG-N 3.46Å; S49-R53 PolarHBondContact OG-O 3.45Å
50T89.8Confident93.9Very high91 Ų9156 Ų5656%0.55834%0.339SS*.THydrogen-bonded Turntrans-58.2-21.6169.349.50000113.1Q18 G52Q18-T50 PolarHBondContact NE2-OG1 3.4Å; T50-G52 VanDerWaalsContact C-N 3.33Å
51S89.8Confident94Very high83 Ų8354.8 Ų54.858%0.5832%0.32SS*.THydrogen-bonded Turntrans-85.94.6174.655.80000114.6S49 R53S49-S51 PolarHBondContact O-N 3.17Å; S49-S51 VanDerWaalsContact O-N 3.12Å; S49-S51 PolarHBondContact OG-N 3.02Å; S49-S51 PolarHBondContact OG-OG 2.87Å; S51-R53 VanDerWaalsContact C-N 3.3Å; S51-R53 PolarHBondContact O-N 3.35Å
52G90.4Very high94.1Very high60 Ų6056 Ų5662%0.61932%0.323SS*.SBendtrans796.4179.800000114.9S49 T50S49-G52 PolarHBondContact O-N 3.41Å; T50-G52 VanDerWaalsContact C-N 3.33Å
53R94.3Very high94.2Very high170 Ų17059.7 Ų59.764%0.64234%0.342SS*.  trans-78.3126.7175.1-67.5-177.2138-177.3-5.4110F48 S49 S51 Y55F48-R53 WeakPolarHBondContact CA-O 3.15Å; S49-R53 PolarHBondContact N-O 3.45Å; S49-R53 WeakPolarHBondContact OG-CB 3.44Å; S49-R53 PolarHBondContact OG-N 3.46Å; S49-R53 PolarHBondContact OG-O 3.45Å; S51-R53 VanDerWaalsContact C-N 3.3Å; S51-R53 PolarHBondContact O-N 3.35Å; R53-Y55 HydrophobicContact CB-CE2 3.93Å
54S94Very high94.1Very high78 Ų7863.4 Ų63.455%0.54536%0.362SS..EExtended strand (participates in β ladder)trans-84.2146.2173.259.70000111.3
55Y95.9Very high94.1Very high70 Ų7063.6 Ų63.628%0.27536%0.362SS..EExtended strand (participates in β ladder)trans-133.9133.4171.1-59.9-89.2000107.6F21 R25 V46 V47 R53F21-Y55 HydrophobicContact CE1-CD2 4.05Å; F21-Y55 AromaticContact CE1-CE2 3.78Å; F21-Y55 HydrophobicContact CE1-CE2 3.78Å; F21-Y55 AromaticContact CZ-CD2 3.86Å; F21-Y55 HydrophobicContact CZ-CD2 3.86Å; F21-Y55 AromaticContact CZ-CE2 3.95Å; F21-Y55 HydrophobicContact CZ-CE2 3.95Å; R25-Y55 VanDerWaalsContact CD-CG 3.49Å; R25-Y55 VanDerWaalsContact NH1-CD1 3.29Å; R25-Y55 VanDerWaalsContact NH1-CE2 3.26Å; V46-Y55 CarbonylContact C-O 3.59Å; V46-Y55 WeakPolarHBondContact CA-O 3.37Å; V47-Y55 PolarHBondContact N-O 2.98Å; V47-Y55 PolarHBondContact O-N 3.48Å; R53-Y55 HydrophobicContact CB-CE2 3.93Å
56S96.6Very high94Very high63 Ų6365.4 Ų65.444%0.44138%0.377SS..EExtended strand (participates in β ladder)trans-131.6151.7-178.756.50000112.5S45S45-S56 CarbonylContact O-C 3.56Å; S45-S56 VanDerWaalsContact O-CA 3.24Å; S45-S56 WeakPolarHBondContact O-CA 3.36Å
57F96.7Very high93.9Very high43 Ų4368 Ų6819%0.18939%0.389CS..EExtended strand (participates in β ladder)trans-130.3135.5164.6173-90.2000107.4F29 A32 S33 G44 S45 H59F29-F57 HydrophobicContact CB-CB 4.24Å; F29-F57 HydrophobicContact CB-CG 4.49Å; F29-F57 HydrophobicContact CD1-CB 3.71Å; F29-F57 HydrophobicContact CD2-CB 4.22Å; F29-F57 HydrophobicContact CE1-CB 4.05Å; F29-F57 HydrophobicContact CG-CB 3.81Å; F29-F57 HydrophobicContact CZ-CB 4.44Å; A32-F57 HydrophobicContact CB-CD1 3.43Å; A32-F57 VanDerWaalsContact CB-CD1 3.43Å; A32-F57 HydrophobicContact CB-CE1 3.62Å; A32-F57 HydrophobicContact CB-CG 4.33Å; S33-F57 VanDerWaalsContact CA-CZ 3.42Å; G44-F57 CarbonylContact C-O 3.57Å; G44-F57 WeakPolarHBondContact CA-O 3.33Å; S45-F57 PolarHBondContact N-O 3.11Å; S45-F57 PolarHBondContact O-N 3.45Å; F57-H59 HydrophobicContact CZ-CB 4.47Å
58G95.2Very high93.7Very high18 Ų1872.5 Ų72.519%0.18640%0.404CS..EExtended strand (participates in β ladder)trans-149.4144.817600000111.1V43V43-G58 CarbonylContact O-C 3.55Å; V43-G58 VanDerWaalsContact O-CA 3.3Å; V43-G58 WeakPolarHBondContact O-CA 3.49Å
59H95.6Very high93.4Very high85 Ų8570 Ų7039%0.39439%0.393SS..EExtended strand (participates in β ladder)trans-132.6120.8171.9-175.369.6000109.3T42 V43 F57T42-H59 WeakPolarHBondContact CA-O 3.49Å; V43-H59 PolarHBondContact N-O 2.95Å; V43-H59 PolarHBondContact O-N 2.84Å; F57-H59 HydrophobicContact CZ-CB 4.47Å
60P93.1Very high93.4Very high87 Ų8775.1 Ų75.157%0.56542%0.419SS*.SBendcis-71.6-34.54.726.1-32.4000114.9D64P60-D64 HydrophobicContact CG-CB 3.93Å
61S94.8Very high93.3Very high39 Ų3974.9 Ų74.927%0.27342%0.421SS..  trans-145.9163.5166.278.90000110N63 D64 V65S61-N63 PolarHBondContact O-N 2.83Å; S61-N63 PolarHBondContact OG-N 2.92Å; S61-D64 VanDerWaalsContact CB-OD2 3.25Å; S61-D64 WeakPolarHBondContact CB-OD2 3.4Å; S61-D64 PolarHBondContact N-OD2 3.17Å; S61-D64 PolarHBondContact O-N 3.43Å; S61-D64 PolarHBondContact OG-N 2.95Å; S61-D64 VanDerWaalsContact OG-N 3.11Å; S61-D64 PolarHBondContact OG-OD2 3.38Å; S61-V65 WeakPolarHBondContact O-CG2 3.44Å; S61-V65 PolarHBondContact O-N 3.13Å
62I94.6Very high92.9Very high44 Ų4475 Ų7523%0.22642%0.422CS..Hα-helixtrans-65.2-31.7176.9-172.460.8000112V46 A66V46-I62 HydrophobicContact CG2-CD1 3.8Å; V46-I62 HydrophobicContact CG2-CG1 4.15Å; I62-A66 WeakPolarHBondContact O-CB 3.24Å; I62-A66 PolarHBondContact O-N 3.28Å
63N94.8Very high92Very high110 Ų11076.2 Ų76.259%0.58842%0.417SS*.Hα-helixtrans-69.3-46.3177.8-63.7-20.5000110.4S61 V65 A66 D67S61-N63 PolarHBondContact O-N 2.83Å; S61-N63 PolarHBondContact OG-N 2.92Å; N63-V65 VanDerWaalsContact C-N 3.26Å; N63-V65 PolarHBondContact O-N 3.49Å; N63-A66 PolarHBondContact O-N 2.95Å; N63-D67 WeakPolarHBondContact O-CB 3.32Å; N63-D67 VanDerWaalsContact O-CG 3.27Å; N63-D67 PolarHBondContact O-N 3.24Å
64D93.5Very high90.4Very high80 Ų8071.6 Ų71.643%0.42842%0.415SS..Hα-helixtrans-59-39.7176.9-60.4-50000111.7P60 S61 R68P60-D64 HydrophobicContact CG-CB 3.93Å; S61-D64 VanDerWaalsContact CB-OD2 3.25Å; S61-D64 WeakPolarHBondContact CB-OD2 3.4Å; S61-D64 PolarHBondContact N-OD2 3.17Å; S61-D64 PolarHBondContact O-N 3.43Å; S61-D64 PolarHBondContact OG-N 2.95Å; S61-D64 VanDerWaalsContact OG-N 3.11Å; S61-D64 PolarHBondContact OG-OD2 3.38Å; D64-R68 WeakPolarHBondContact O-CB 3.33Å; D64-R68 PolarHBondContact O-N 2.87Å; D64-R68 VanDerWaalsContact O-N 3.12Å
65V93.7Very high88.6Confident8 Ų874.4 Ų74.45%0.04843%0.431CS..Hα-helixtrans-66.3-43.8176.5-179.80000110.5T42 S61 N63 F69T42-V65 HydrophobicContact CG2-CB 4.37Å; T42-V65 HydrophobicContact CG2-CG1 4.44Å; T42-V65 HydrophobicContact CG2-CG2 3.63Å; S61-V65 WeakPolarHBondContact O-CG2 3.44Å; S61-V65 PolarHBondContact O-N 3.13Å; N63-V65 VanDerWaalsContact C-N 3.26Å; N63-V65 PolarHBondContact O-N 3.49Å; V65-F69 WeakPolarHBondContact O-CB 3.28Å; V65-F69 PolarHBondContact O-N 2.84Å
66A93.1Very high86.7Confident39 Ų3974.9 Ų74.932%0.32246%0.458SS..Hα-helixtrans-65.1-46.8179.200000111.8I62 N63 R68 F69 L70I62-A66 WeakPolarHBondContact O-CB 3.24Å; I62-A66 PolarHBondContact O-N 3.28Å; N63-A66 PolarHBondContact O-N 2.95Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 3.32Å; A66-F69 WeakPolarHBondContact O-CB 3.48Å; A66-F69 PolarHBondContact O-N 2.91Å; A66-F69 VanDerWaalsContact O-N 3.11Å; A66-L70 VanDerWaalsContact O-CG 3.31Å; A66-L70 WeakPolarHBondContact O-CG 3.39Å; A66-L70 PolarHBondContact O-N 3.3Å
67D92.5Very high84.2Confident101 Ų10175.3 Ų75.354%0.5447%0.472SS..Hα-helixtrans-61.6-41.2179.4-68.1-21.9000111.4N63 L70 S71N63-D67 WeakPolarHBondContact O-CB 3.32Å; N63-D67 VanDerWaalsContact O-CG 3.27Å; N63-D67 PolarHBondContact O-N 3.24Å; D67-L70 PolarHBondContact O-N 3.49Å; D67-S71 WeakPolarHBondContact O-CB 3.45Å; D67-S71 PolarHBondContact O-N 2.99Å; D67-S71 PolarHBondContact O-OG 3.3Å
68R91.2Very high81.6Confident115 Ų11582.2 Ų82.243%0.43451%0.51SS..Hα-helixtrans-64.3-40.5173.8-172.3-178.1179.6-170.9-0.4112.2T42 D64 A66 S71 S72T42-R68 PolarHBondContact OG1-NH1 3.08Å; T42-R68 VanDerWaalsContact OG1-NH1 3.11Å; D64-R68 WeakPolarHBondContact O-CB 3.33Å; D64-R68 PolarHBondContact O-N 2.87Å; D64-R68 VanDerWaalsContact O-N 3.12Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 3.32Å; R68-S71 WeakPolarHBondContact CA-OG 3.41Å; R68-S71 PolarHBondContact O-OG 3.49Å; R68-S72 PolarHBondContact O-N 2.86Å
69F90.5Very high79.3Confident77 Ų7785.7 Ų85.734%0.33854%0.537SS..Hα-helixtrans-65.3-48.9177.3-177.4-102.1000110.9V65 A66 S71 S72 V73 I245V65-F69 WeakPolarHBondContact O-CB 3.28Å; V65-F69 PolarHBondContact O-N 2.84Å; A66-F69 WeakPolarHBondContact O-CB 3.48Å; A66-F69 PolarHBondContact O-N 2.91Å; A66-F69 VanDerWaalsContact O-N 3.11Å; F69-S71 PolarHBondContact O-N 3.41Å; F69-S72 PolarHBondContact O-N 3.11Å; F69-S72 VanDerWaalsContact O-N 3.16Å; F69-S72 PolarHBondContact O-OG 2.84Å; F69-V73 HydrophobicContact CD1-CG2 4.41Å; F69-V73 HydrophobicContact CE1-CG2 4.1Å; F69-V73 HydrophobicContact CE2-CG2 4.36Å; F69-V73 HydrophobicContact CZ-CG2 4.08Å; F69-V73 VanDerWaalsContact O-CG2 3.3Å; F69-V73 WeakPolarHBondContact O-CG2 3.49Å; F69-V73 PolarHBondContact O-N 3.45Å; F69-I245 HydrophobicContact CB-CD1 4.5Å; F69-I245 HydrophobicContact CD1-CD1 4.11Å; F69-I245 HydrophobicContact CD2-CD1 3.95Å; F69-I245 HydrophobicContact CD2-CG2 3.9Å; F69-I245 HydrophobicContact CE1-CD1 4.3Å; F69-I245 HydrophobicContact CE2-CD1 4.15Å; F69-I245 HydrophobicContact CE2-CG2 4.36Å; F69-I245 HydrophobicContact CG-CD1 3.92Å; F69-I245 HydrophobicContact CZ-CD1 4.32Å
70L91.1Very high76.9Confident117 Ų11787.4 Ų87.461%0.61356%0.559SS**Hα-helixtrans-64.5-39.2-178.7-67.6173.8000112.6A66 D67 S72 V73A66-L70 VanDerWaalsContact O-CG 3.31Å; A66-L70 WeakPolarHBondContact O-CG 3.39Å; A66-L70 PolarHBondContact O-N 3.3Å; D67-L70 PolarHBondContact O-N 3.49Å; L70-S72 VanDerWaalsContact C-N 3.31Å; L70-S72 PolarHBondContact O-N 2.96Å; L70-V73 PolarHBondContact O-N 3.42Å
71S88.5Confident74.6Confident85 Ų8586.6 Ų86.659%0.59457%0.566SS**Hα-helixtrans-66.3-30.9174.953.60000113.1D67 R68 F69D67-S71 WeakPolarHBondContact O-CB 3.45Å; D67-S71 PolarHBondContact O-N 2.99Å; D67-S71 PolarHBondContact O-OG 3.3Å; R68-S71 WeakPolarHBondContact CA-OG 3.41Å; R68-S71 PolarHBondContact O-OG 3.49Å; F69-S71 PolarHBondContact O-N 3.41Å
72S80.3Confident72.1Confident85 Ų8588.3 Ų88.359%0.59459%0.59SS**Hα-helixtrans-74.7-25.317678.20000114.1R68 F69 L70 A74R68-S72 PolarHBondContact O-N 2.86Å; F69-S72 PolarHBondContact O-N 3.11Å; F69-S72 VanDerWaalsContact O-N 3.16Å; F69-S72 PolarHBondContact O-OG 2.84Å; L70-S72 VanDerWaalsContact C-N 3.31Å; L70-S72 PolarHBondContact O-N 2.96Å; S72-A74 VanDerWaalsContact C-N 3.33Å
73V71.9Confident69.6Low87 Ų8791.1 Ų91.153%0.52762%0.62SS.*THydrogen-bonded Turntrans-86.2-4.9-175175.60000112.3F69 L70 P75F69-V73 HydrophobicContact CD1-CG2 4.41Å; F69-V73 HydrophobicContact CE1-CG2 4.1Å; F69-V73 HydrophobicContact CE2-CG2 4.36Å; F69-V73 HydrophobicContact CZ-CG2 4.08Å; F69-V73 VanDerWaalsContact O-CG2 3.3Å; F69-V73 WeakPolarHBondContact O-CG2 3.49Å; F69-V73 PolarHBondContact O-N 3.45Å; L70-V73 PolarHBondContact O-N 3.42Å; V73-P75 WeakPolarHBondContact O-CD 3.43Å
74A60.9Low67.2Low72 Ų7291.3 Ų91.360%0.59563%0.63SS**  trans-55.1111.8175.100000110.9S72 G76S72-A74 VanDerWaalsContact C-N 3.33Å; A74-G76 PolarHBondContact O-N 3.5Å; A74-G76 VanDerWaalsContact O-N 3.1Å
75P56.7Low64.7Low137 Ų13791.6 Ų91.689%0.8964%0.644SS**SBendtrans-8295.8-170.830-29.6000109.5V73V73-P75 WeakPolarHBondContact O-CD 3.43Å
76G55.4Low62.3Low80 Ų8095.8 Ų95.883%0.82567%0.673SS**  trans-17512.8-179.500000121.6A74A74-G76 PolarHBondContact O-N 3.5Å; A74-G76 VanDerWaalsContact O-N 3.1Å
77G44.8Very low60.3Low73 Ų73103.3 Ų103.375%0.75370%0.701SS**  trans-156.155.2-170.800000118.8
78L41.7Very low57.7Low187 Ų187102.2 Ų102.298%0.97971%0.714SS**  trans-92.984.8153.2-81.1163.9000108.3
79A47.2Very low55.3Low91 Ų91100.5 Ų100.575%0.75273%0.732SS**  trans-165125.3163.800000111.4
80S45.9Very low53.1Low121 Ų121102 Ų10285%0.84675%0.752SS**  trans64116.8151.1-148.20000117.2
81G44.2Very low50.9Low70 Ų70100.4 Ų100.472%0.72276%0.764SS**  cis73.710747.100000110.4
82G42.7Very low49Very low75 Ų75102 Ų10277%0.77377%0.77SS**  trans100.595.3171.500000113.5
83A42.1Very low47.9Very low104 Ų104103.5 Ų103.586%0.8678%0.776SS**  73.4109.890.200000113
84S42.7Very low47.1Very low113 Ų113103.5 Ų103.579%0.7978%0.78SS**  154.6128.6111-158.40000110.3
85A41.6Very low47.3Very low87 Ų87102 Ų10272%0.71977%0.772SS**  trans56131.8142.400000117.5
86S43.7Very low47.9Very low96 Ų9698.2 Ų98.267%0.67175%0.752SS**  cis178.614644.2450000108.4
87H50.2Low48.8Very low196 Ų19698.7 Ų98.791%0.90774%0.738SS**  trans45.6121.5136.8-68-59.5000120.1
88G39Very low50.5Low79 Ų7999.1 Ų99.181%0.81473%0.726SS**  145.384.4123.300000116.7
89G39.8Very low52.5Low79 Ų7995.4 Ų95.481%0.81471%0.708SS**  trans72164.3147.600000116.8
90S44.4Very low54.4Low107 Ų10794 Ų9475%0.74869%0.69SS**  cis179.2105.8-6.3173.90000105.3T92S90-T92 PolarHBondContact O-N 3.16Å; S90-T92 PolarHBondContact O-OG1 3.43Å; S90-T92 VanDerWaalsContact O-OG1 3.05Å
91G46.2Very low56.3Low84 Ų8492.6 Ų92.687%0.86668%0.676SS**  trans71.410.2149.200000122.2
92T48.6Very low58.5Low119 Ų11994.9 Ų94.973%0.7367%0.668SS**  trans-104.19.5-167.7-15.90000118S90S90-T92 PolarHBondContact O-N 3.16Å; S90-T92 PolarHBondContact O-OG1 3.43Å; S90-T92 VanDerWaalsContact O-OG1 3.05Å
93T55.7Low60.8Low116 Ų11697 Ų9771%0.71265%0.652SS**Hα-helixtrans-90.9-29.5-176.454.80000114.3V97T93-V97 WeakPolarHBondContact O-CB 3.39Å; T93-V97 WeakPolarHBondContact O-CG2 3.46Å; T93-V97 PolarHBondContact O-N 3.05Å
94S56.1Low63.1Low88 Ų8896.2 Ų96.262%0.61563%0.633SS**Hα-helixtrans-68.8-41.2-176.5-164.70000112.6T98S94-T98 VanDerWaalsContact O-CB 3.24Å; S94-T98 WeakPolarHBondContact O-CB 3.43Å; S94-T98 PolarHBondContact O-N 3.19Å; S94-T98 PolarHBondContact O-OG1 2.99Å
95G63.8Low65.4Low41 Ų4195 Ų9542%0.42362%0.618SS.*Hα-helixtrans-64.4-53.3178.700000112.1V97 T98 D99G95-V97 PolarHBondContact O-N 2.98Å; G95-T98 CarbonylContact O-C 3.6Å; G95-T98 PolarHBondContact O-N 3.46Å; G95-D99 PolarHBondContact O-N 2.89Å
96A69.6Low67.8Low57 Ų5794.8 Ų94.847%0.47160%0.603SS.*Hα-helixtrans-62.7-38-177.900000113.5T100A96-T100 WeakPolarHBondContact O-CB 3.16Å; A96-T100 PolarHBondContact O-N 3.44Å; A96-T100 PolarHBondContact O-OG1 3.37Å
97V75.4Confident70.2Confident89 Ų8994.2 Ų94.254%0.53959%0.59SS.*Hα-helixtrans-67.6-42.4173.8174.70000110.3T93 G95 T100 V101T93-V97 WeakPolarHBondContact O-CB 3.39Å; T93-V97 WeakPolarHBondContact O-CG2 3.46Å; T93-V97 PolarHBondContact O-N 3.05Å; G95-V97 PolarHBondContact O-N 2.98Å; V97-T100 PolarHBondContact O-N 3.03Å; V97-V101 HydrophobicContact CG1-CG2 4.38Å; V97-V101 VanDerWaalsContact O-CG2 3.29Å; V97-V101 WeakPolarHBondContact O-CG2 3.3Å; V97-V101 PolarHBondContact O-N 2.69Å
98T79.7Confident72.2Confident82 Ų8291.7 Ų91.750%0.50357%0.573SS.*Hα-helixtrans-63.9-42.9178.3-560000111.7S94 G95 T100 V101 H102S94-T98 VanDerWaalsContact O-CB 3.24Å; S94-T98 WeakPolarHBondContact O-CB 3.43Å; S94-T98 PolarHBondContact O-N 3.19Å; S94-T98 PolarHBondContact O-OG1 2.99Å; G95-T98 CarbonylContact O-C 3.6Å; G95-T98 PolarHBondContact O-N 3.46Å; T98-T100 VanDerWaalsContact C-N 3.34Å; T98-T100 PolarHBondContact O-N 3.35Å; T98-V101 PolarHBondContact O-N 3.48Å; T98-H102 VanDerWaalsContact O-CB 3.31Å; T98-H102 WeakPolarHBondContact O-CB 3.42Å; T98-H102 PolarHBondContact O-N 3.39Å
99D83.9Confident74.9Confident110 Ų11091.4 Ų91.459%0.58855%0.553SS**Hα-helixtrans-63.2-41.2176.7-66.1-26.8000111.4G95 H102 R103G95-D99 PolarHBondContact O-N 2.89Å; D99-H102 PolarHBondContact O-N 3.48Å; D99-R103 WeakPolarHBondContact O-CB 3.46Å; D99-R103 PolarHBondContact O-N 2.82Å
100T86.2Confident77.6Confident62 Ų6293.5 Ų93.538%0.3854%0.541SS..Hα-helixtrans-65.3-45.5177.1-58.30000111.4A96 V97 T98 R103 L104A96-T100 WeakPolarHBondContact O-CB 3.16Å; A96-T100 PolarHBondContact O-N 3.44Å; A96-T100 PolarHBondContact O-OG1 3.37Å; V97-T100 PolarHBondContact O-N 3.03Å; T98-T100 VanDerWaalsContact C-N 3.34Å; T98-T100 PolarHBondContact O-N 3.35Å; T100-R103 PolarHBondContact O-N 3.38Å; T100-L104 HydrophobicContact CG2-CD1 4.11Å; T100-L104 WeakPolarHBondContact O-CB 3.28Å; T100-L104 WeakPolarHBondContact O-CG 3.07Å; T100-L104 PolarHBondContact O-N 2.84Å
101V87.5Confident79.9Confident90 Ų9094.1 Ų94.155%0.54554%0.536SS..Hα-helixtrans-63.8-43.6176.71710000110.6V97 T98 L104 N105V97-V101 HydrophobicContact CG1-CG2 4.38Å; V97-V101 VanDerWaalsContact O-CG2 3.29Å; V97-V101 WeakPolarHBondContact O-CG2 3.3Å; V97-V101 PolarHBondContact O-N 2.69Å; T98-V101 PolarHBondContact O-N 3.48Å; V101-L104 PolarHBondContact O-N 3Å; V101-N105 VanDerWaalsContact O-CB 3.26Å; V101-N105 WeakPolarHBondContact O-CB 3.17Å; V101-N105 PolarHBondContact O-N 3.45Å
102H89.2Confident82.1Confident119 Ų11994.2 Ų94.255%0.55151%0.513SS*.Hα-helixtrans-60.9-46.4177.8-175.461.3000111.5T98 D99 N105 M106T98-H102 VanDerWaalsContact O-CB 3.31Å; T98-H102 WeakPolarHBondContact O-CB 3.42Å; T98-H102 PolarHBondContact O-N 3.39Å; D99-H102 PolarHBondContact O-N 3.48Å; H102-N105 PolarHBondContact O-N 2.91Å; H102-M106 WeakPolarHBondContact O-CG 3.45Å; H102-M106 PolarHBondContact O-N 3.35Å
103R91.6Very high84.3Confident120 Ų12095.3 Ų95.345%0.45351%0.51SS..Hα-helixtrans-59.7-49.1175.9-178.9179.656.172.51.2112.3D99 T100 N105 M106 E107D99-R103 WeakPolarHBondContact O-CB 3.46Å; D99-R103 PolarHBondContact O-N 2.82Å; T100-R103 PolarHBondContact O-N 3.38Å; R103-N105 VanDerWaalsContact C-N 3.27Å; R103-N105 PolarHBondContact O-N 2.81Å; R103-M106 WeakPolarHBondContact O-CB 3.47Å; R103-M106 PolarHBondContact O-N 3.41Å; R103-M106 VanDerWaalsContact O-N 3.17Å; R103-E107 IonicContact CZ-OE1 3.94Å; R103-E107 IonicContact NH1-OE1 2.83Å; R103-E107 PolarHBondContact NH1-OE1 3.06Å; R103-E107 IonicContact NH1-OE2 3.91Å; R103-E107 PolarHBondContact O-N 3.45Å
104L90.5Very high86.1Confident87 Ų8792.8 Ų92.846%0.45550%0.497SS..Hα-helixtrans-63.4-35.2178.7-71.5172.7000112T100 V101 E107 Y108T100-L104 HydrophobicContact CG2-CD1 4.11Å; T100-L104 WeakPolarHBondContact O-CB 3.28Å; T100-L104 WeakPolarHBondContact O-CG 3.07Å; T100-L104 PolarHBondContact O-N 2.84Å; V101-L104 PolarHBondContact O-N 3Å; L104-E107 PolarHBondContact O-N 2.9Å; L104-Y108 WeakPolarHBondContact O-CB 3.32Å; L104-Y108 PolarHBondContact O-N 3.38Å
105N90.1Very high87.9Confident88 Ų8893.1 Ų93.147%0.47149%0.492SS..Hα-helixtrans-68.8-35.8176-162.956000111.9V101 H102 R103 Y108 L109V101-N105 VanDerWaalsContact O-CB 3.26Å; V101-N105 WeakPolarHBondContact O-CB 3.17Å; V101-N105 PolarHBondContact O-N 3.45Å; H102-N105 PolarHBondContact O-N 2.91Å; R103-N105 VanDerWaalsContact C-N 3.27Å; R103-N105 PolarHBondContact O-N 2.81Å; N105-Y108 PolarHBondContact O-N 3.46Å; N105-L109 WeakPolarHBondContact O-CG 3.41Å; N105-L109 PolarHBondContact O-N 3.42Å; N105-L109 VanDerWaalsContact O-N 3.13Å
106M92.3Very high89.3Confident82 Ų8295 Ų9540%0.40449%0.492SS..Hα-helixtrans-64.6-46.9171.2-72.2-55.8-53.100111.8H102 R103 Y108 L109 E110H102-M106 WeakPolarHBondContact O-CG 3.45Å; H102-M106 PolarHBondContact O-N 3.35Å; R103-M106 WeakPolarHBondContact O-CB 3.47Å; R103-M106 PolarHBondContact O-N 3.41Å; R103-M106 VanDerWaalsContact O-N 3.17Å; M106-Y108 VanDerWaalsContact C-N 3.3Å; M106-Y108 PolarHBondContact O-N 3Å; M106-L109 PolarHBondContact O-N 3.43Å; M106-L109 HydrophobicContact SD-CD1 4.44Å; M106-E110 WeakPolarHBondContact O-CG 3.46Å; M106-E110 PolarHBondContact O-N 2.81Å
107E94.5Very high90.4Very high83 Ų8394.7 Ų94.739%0.38849%0.487SS..Hα-helixtrans-59.3-40.1175.7-72.1173.8-156.400111.8R103 L104 E110 L111R103-E107 IonicContact CZ-OE1 3.94Å; R103-E107 IonicContact NH1-OE1 2.83Å; R103-E107 PolarHBondContact NH1-OE1 3.06Å; R103-E107 IonicContact NH1-OE2 3.91Å; R103-E107 PolarHBondContact O-N 3.45Å; L104-E107 PolarHBondContact O-N 2.9Å; E107-E110 PolarHBondContact O-N 3.31Å; E107-L111 WeakPolarHBondContact O-CB 3.42Å; E107-L111 VanDerWaalsContact O-CG 3.32Å; E107-L111 WeakPolarHBondContact O-CG 3.33Å; E107-L111 PolarHBondContact O-N 3.33Å
108Y92.8Very high91.2Very high143 Ų14395 Ų9556%0.56148%0.482SS*.Hα-helixtrans-60.8-45.1175.7177.7-98.7000112.3L104 N105 M106 L111 Q112L104-Y108 WeakPolarHBondContact O-CB 3.32Å; L104-Y108 PolarHBondContact O-N 3.38Å; N105-Y108 PolarHBondContact O-N 3.46Å; M106-Y108 VanDerWaalsContact C-N 3.3Å; M106-Y108 PolarHBondContact O-N 3Å; Y108-L111 PolarHBondContact O-N 3.12Å; Y108-Q112 VanDerWaalsContact CZ-OE1 3.29Å; Y108-Q112 WeakPolarHBondContact O-CB 3.43Å; Y108-Q112 PolarHBondContact O-N 3.4Å; Y108-Q112 PolarHBondContact OH-OE1 2.95Å
109L95.8Very high91.8Very high74 Ų7496.3 Ų96.339%0.38748%0.481SS..Hα-helixtrans-63.8-43.2178.4-73.3167.9000111.9N105 M106 Q112 Q113N105-L109 WeakPolarHBondContact O-CG 3.41Å; N105-L109 PolarHBondContact O-N 3.42Å; N105-L109 VanDerWaalsContact O-N 3.13Å; M106-L109 PolarHBondContact O-N 3.43Å; M106-L109 HydrophobicContact SD-CD1 4.44Å; L109-Q112 PolarHBondContact O-N 3.33Å; L109-Q113 WeakPolarHBondContact O-CG 3.32Å; L109-Q113 PolarHBondContact O-N 3.07Å
110E95.9Very high92.3Very high122 Ų12296.5 Ų96.557%0.5748%0.476SS*.Hα-helixtrans-62.7-45.4176.9-71.8177.9-175.700112M106 E107 Q112 Q113 S114M106-E110 WeakPolarHBondContact O-CG 3.46Å; M106-E110 PolarHBondContact O-N 2.81Å; E107-E110 PolarHBondContact O-N 3.31Å; E110-Q112 VanDerWaalsContact C-N 3.3Å; E110-Q112 PolarHBondContact O-N 2.99Å; E110-Q113 PolarHBondContact O-N 2.72Å; E110-S114 WeakPolarHBondContact O-CB 3.42Å; E110-S114 PolarHBondContact O-N 3.35Å
111L93.1Very high92.6Very high121 Ų12198.5 Ų98.563%0.63448%0.48SS*.Hα-helixtrans-63-37.7177.3-75.3171.5000111.9E107 Y108 S114 L115E107-L111 WeakPolarHBondContact O-CB 3.42Å; E107-L111 VanDerWaalsContact O-CG 3.32Å; E107-L111 WeakPolarHBondContact O-CG 3.33Å; E107-L111 PolarHBondContact O-N 3.33Å; Y108-L111 PolarHBondContact O-N 3.12Å; L111-S114 PolarHBondContact O-N 3.42Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 2.89Å
112Q91.3Very high92.6Very high86 Ų86101.1 Ų101.140%0.40248%0.484SS..Hα-helixtrans-67.5-42.9177.6-168.8164.5-31.500111.8Y108 L109 E110 S114 L115 D116Y108-Q112 VanDerWaalsContact CZ-OE1 3.29Å; Y108-Q112 WeakPolarHBondContact O-CB 3.43Å; Y108-Q112 PolarHBondContact O-N 3.4Å; Y108-Q112 PolarHBondContact OH-OE1 2.95Å; L109-Q112 PolarHBondContact O-N 3.33Å; E110-Q112 VanDerWaalsContact C-N 3.3Å; E110-Q112 PolarHBondContact O-N 2.99Å; Q112-S114 VanDerWaalsContact C-N 3.33Å; Q112-S114 PolarHBondContact O-N 3.34Å; Q112-L115 PolarHBondContact O-N 3.44Å; Q112-D116 PolarHBondContact O-N 2.96Å
113Q95.2Very high92.8Very high141 Ų141101.7 Ų101.766%0.65949%0.487SS*.Hα-helixtrans-61.4-41.6173-70.9177.91700112L109 E110 D116 S117L109-Q113 WeakPolarHBondContact O-CG 3.32Å; L109-Q113 PolarHBondContact O-N 3.07Å; E110-Q113 PolarHBondContact O-N 2.72Å; Q113-D116 PolarHBondContact O-N 2.87Å; Q113-S117 WeakPolarHBondContact O-CB 3.46Å; Q113-S117 PolarHBondContact O-N 2.91Å
114S94.1Very high92.8Very high63 Ų63103.4 Ų103.444%0.44149%0.493SS..Hα-helixtrans-61.6-47.7176.3-171.20000111.5E110 L111 Q112 D116 S117 E118E110-S114 WeakPolarHBondContact O-CB 3.42Å; E110-S114 PolarHBondContact O-N 3.35Å; L111-S114 PolarHBondContact O-N 3.42Å; Q112-S114 VanDerWaalsContact C-N 3.33Å; Q112-S114 PolarHBondContact O-N 3.34Å; S114-D116 VanDerWaalsContact C-N 3.33Å; S114-D116 PolarHBondContact O-N 2.72Å; S114-S117 PolarHBondContact O-N 3.18Å; S114-S117 PolarHBondContact O-OG 2.95Å; S114-E118 PolarHBondContact O-N 3.38Å
115L92.9Very high92.7Very high95 Ų95105.2 Ų105.250%0.49750%0.503SS..Hα-helixtrans-58.3-43.4176.9-177.369.3000112L111 Q112 E118 K119L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 2.89Å; Q112-L115 PolarHBondContact O-N 3.44Å; L115-E118 PolarHBondContact O-N 3.4Å; L115-K119 HydrophobicContact CG-CD 4.39Å; L115-K119 WeakPolarHBondContact O-CB 3.45Å; L115-K119 WeakPolarHBondContact O-CG 3.47Å; L115-K119 PolarHBondContact O-N 2.94Å
116D94.3Very high92.5Very high80 Ų80107.2 Ų107.243%0.42851%0.509SS..Hα-helixtrans-69.3-35.5179-70.5-21.6000111.9Q112 Q113 S114 K119 K120Q112-D116 PolarHBondContact O-N 2.96Å; Q113-D116 PolarHBondContact O-N 2.87Å; S114-D116 VanDerWaalsContact C-N 3.33Å; S114-D116 PolarHBondContact O-N 2.72Å; D116-K119 PolarHBondContact O-N 2.6Å; D116-K119 IonicContact OD1-NZ 2.69Å; D116-K120 WeakPolarHBondContact O-CB 3.34Å; D116-K120 PolarHBondContact O-N 3.35Å
117S92.5Very high92.3Very high52 Ų52108.2 Ų108.236%0.36451%0.513SS..Hα-helixtrans-63.7-41172.683.90000112Q113 S114 K120 K121Q113-S117 WeakPolarHBondContact O-CB 3.46Å; Q113-S117 PolarHBondContact O-N 2.91Å; S114-S117 PolarHBondContact O-N 3.18Å; S114-S117 PolarHBondContact O-OG 2.95Å; S117-K120 PolarHBondContact O-N 3.47Å; S117-K121 WeakPolarHBondContact O-CG 3.33Å; S117-K121 PolarHBondContact O-N 3.32Å
118E92Very high91.8Very high95 Ų95106.8 Ų106.844%0.44452%0.516SS..Hα-helixtrans-69.2-40.6176.5-75.1-59.1133.800111.8S114 L115 K120 K121 K122S114-E118 PolarHBondContact O-N 3.38Å; L115-E118 PolarHBondContact O-N 3.4Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.2Å; E118-K121 WeakPolarHBondContact O-CB 3.34Å; E118-K121 PolarHBondContact O-N 3.46Å; E118-K121 IonicContact OE1-NZ 2.6Å; E118-K121 PolarHBondContact OE1-NZ 2.71Å; E118-K122 PolarHBondContact O-N 3.24Å
119K93Very high91.3Very high109 Ų109102.3 Ų102.347%0.47451%0.508SS..Hα-helixtrans-59.9-44.2172.1-76.2173.2-177.4166.30111.6L115 D116 K121 K122 E123L115-K119 HydrophobicContact CG-CD 4.39Å; L115-K119 WeakPolarHBondContact O-CB 3.45Å; L115-K119 WeakPolarHBondContact O-CG 3.47Å; L115-K119 PolarHBondContact O-N 2.94Å; D116-K119 PolarHBondContact O-N 2.6Å; D116-K119 IonicContact OD1-NZ 2.69Å; K119-K121 VanDerWaalsContact C-N 3.34Å; K119-K121 PolarHBondContact O-N 2.85Å; K119-K122 WeakPolarHBondContact O-CB 3.28Å; K119-K122 PolarHBondContact O-N 2.87Å; K119-E123 WeakPolarHBondContact O-CB 3.32Å; K119-E123 PolarHBondContact O-N 3.37Å
120K94.6Very high90.5Very high114 Ų114101.7 Ų101.750%0.49651%0.513SS..Hα-helixtrans-65.4-36.3177.1-169.9171.8-172.1169.50112.2D116 S117 E118 R124D116-K120 WeakPolarHBondContact O-CB 3.34Å; D116-K120 PolarHBondContact O-N 3.35Å; S117-K120 PolarHBondContact O-N 3.47Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.2Å; K120-R124 WeakPolarHBondContact O-CB 3.49Å; K120-R124 VanDerWaalsContact O-CG 3.28Å; K120-R124 WeakPolarHBondContact O-CG 3.44Å; K120-R124 PolarHBondContact O-N 2.87Å
121K91.4Very high89.6Confident105 Ų105102.8 Ų102.846%0.45752%0.516SS..Hα-helixtrans-63.5-47.4171.2-73.7174.6-169.2169.90111.2S117 E118 K119 E123 R124 L125S117-K121 WeakPolarHBondContact O-CG 3.33Å; S117-K121 PolarHBondContact O-N 3.32Å; E118-K121 WeakPolarHBondContact O-CB 3.34Å; E118-K121 PolarHBondContact O-N 3.46Å; E118-K121 IonicContact OE1-NZ 2.6Å; E118-K121 PolarHBondContact OE1-NZ 2.71Å; K119-K121 VanDerWaalsContact C-N 3.34Å; K119-K121 PolarHBondContact O-N 2.85Å; K121-E123 VanDerWaalsContact C-N 3.32Å; K121-E123 PolarHBondContact O-N 2.76Å; K121-R124 PolarHBondContact O-N 3.42Å; K121-L125 WeakPolarHBondContact O-CG 3.28Å; K121-L125 PolarHBondContact O-N 3Å
122K88.9Confident88.4Confident144 Ų144105 Ų10563%0.62652%0.523SS*.Hα-helixtrans-57.7-45.4175.9179-177.2173.6-178.10111.2E118 K119 L125 Q126E118-K122 PolarHBondContact O-N 3.24Å; K119-K122 WeakPolarHBondContact O-CB 3.28Å; K119-K122 PolarHBondContact O-N 2.87Å; K122-L125 PolarHBondContact O-N 3.48Å; K122-Q126 VanDerWaalsContact O-CB 3.27Å; K122-Q126 WeakPolarHBondContact O-CB 3.47Å; K122-Q126 PolarHBondContact O-N 3.26Å
123E93.5Very high86.9Confident131 Ų131105.7 Ų105.761%0.61253%0.528SS*.Hα-helixtrans-62.1-46.1178.1-174.5177.9-164.600111.8K119 K121 L125 Q126 E127K119-E123 WeakPolarHBondContact O-CB 3.32Å; K119-E123 PolarHBondContact O-N 3.37Å; K121-E123 VanDerWaalsContact C-N 3.32Å; K121-E123 PolarHBondContact O-N 2.76Å; E123-L125 PolarHBondContact O-N 2.94Å; E123-Q126 PolarHBondContact O-N 3.41Å; E123-E127 WeakPolarHBondContact O-CB 3.27Å; E123-E127 PolarHBondContact O-N 2.83Å
124R91.2Very high85.1Confident156 Ų156101.4 Ų101.459%0.58952%0.522SS*.Hα-helixtrans-60.4-42.5175.1-74.9173174-179.8-3.6112.7K120 K121 Q126 E127 A128K120-R124 WeakPolarHBondContact O-CB 3.49Å; K120-R124 VanDerWaalsContact O-CG 3.28Å; K120-R124 WeakPolarHBondContact O-CG 3.44Å; K120-R124 PolarHBondContact O-N 2.87Å; K121-R124 PolarHBondContact O-N 3.42Å; R124-Q126 VanDerWaalsContact C-N 3.34Å; R124-E127 PolarHBondContact O-N 3.35Å; R124-A128 WeakPolarHBondContact O-CB 3.39Å; R124-A128 PolarHBondContact O-N 3.47Å
125L87.8Confident83.9Confident126 Ų126100 Ų10066%0.6652%0.517SS*.Hα-helixtrans-66.6-38.5175.9-72.7173.5000111.4K121 K122 E123 A129K121-L125 WeakPolarHBondContact O-CG 3.28Å; K121-L125 PolarHBondContact O-N 3Å; K122-L125 PolarHBondContact O-N 3.48Å; E123-L125 PolarHBondContact O-N 2.94Å; L125-A129 WeakPolarHBondContact O-CB 3.25Å; L125-A129 PolarHBondContact O-N 2.8Å
126Q85.8Confident82.6Confident129 Ų129103.1 Ų103.160%0.60352%0.522SS*.Hα-helixtrans-68.5-39.1176.9-171.4173.7-2.700111.8K122 E123 R124 A129 A130K122-Q126 VanDerWaalsContact O-CB 3.27Å; K122-Q126 WeakPolarHBondContact O-CB 3.47Å; K122-Q126 PolarHBondContact O-N 3.26Å; E123-Q126 PolarHBondContact O-N 3.41Å; R124-Q126 VanDerWaalsContact C-N 3.34Å; Q126-A129 PolarHBondContact O-N 2.85Å; Q126-A130 VanDerWaalsContact O-CB 3.28Å; Q126-A130 WeakPolarHBondContact O-CB 3.44Å; Q126-A130 PolarHBondContact O-N 2.98Å
127E87.7Confident81.2Confident103 Ų103101 Ų10148%0.48151%0.512SS..Hα-helixtrans-66.8-43.5174.5-169.5-168.6161.100111.4E123 R124 A130 K131E123-E127 WeakPolarHBondContact O-CB 3.27Å; E123-E127 PolarHBondContact O-N 2.83Å; R124-E127 PolarHBondContact O-N 3.35Å; E127-A130 PolarHBondContact O-N 2.82Å; E127-K131 WeakPolarHBondContact O-CG 3.18Å; E127-K131 PolarHBondContact O-N 2.95Å; E127-K131 VanDerWaalsContact OE1-CE 3.25Å; E127-K131 WeakPolarHBondContact OE1-CE 3.35Å; E127-K131 IonicContact OE1-NZ 2.62Å; E127-K131 PolarHBondContact OE1-NZ 2.93Å
128A85.1Confident80.1Confident54 Ų54101.5 Ų101.545%0.44651%0.509SS..Hα-helixtrans-62.5-44.8174.200000111.4R124 A130 K131 E132R124-A128 WeakPolarHBondContact O-CB 3.39Å; R124-A128 PolarHBondContact O-N 3.47Å; A128-A130 VanDerWaalsContact C-N 3.35Å; A128-A130 PolarHBondContact O-N 3.18Å; A128-K131 PolarHBondContact O-N 3.31Å; A128-E132 PolarHBondContact O-N 3.44Å
129A81Confident79Confident48 Ų48103.2 Ų103.240%0.39752%0.517SS..Hα-helixtrans-62.8-39.6175.300000111.8L125 Q126 E132 M133L125-A129 WeakPolarHBondContact O-CB 3.25Å; L125-A129 PolarHBondContact O-N 2.8Å; Q126-A129 PolarHBondContact O-N 2.85Å; A129-E132 PolarHBondContact O-N 3.49Å; A129-M133 WeakPolarHBondContact O-CA 3Å; A129-M133 WeakPolarHBondContact O-CB 3.49Å; A129-M133 PolarHBondContact O-N 3.48Å
130A78.9Confident77.8Confident61 Ų6198.8 Ų98.850%0.50450%0.5SS..Hα-helixtrans-66.4-37.9176.400000112.3Q126 E127 A128 M133 G134Q126-A130 VanDerWaalsContact O-CB 3.28Å; Q126-A130 WeakPolarHBondContact O-CB 3.44Å; Q126-A130 PolarHBondContact O-N 2.98Å; E127-A130 PolarHBondContact O-N 2.82Å; A128-A130 VanDerWaalsContact C-N 3.35Å; A128-A130 PolarHBondContact O-N 3.18Å; A130-M133 PolarHBondContact O-N 3.32Å; A130-G134 PolarHBondContact O-N 3.43Å
131K77.9Confident76.7Confident146 Ų14696.8 Ų96.864%0.63549%0.494SS*.Hα-helixtrans-65.5-41.6174.7-73.7173.5-174.4169.30112E127 A128E127-K131 WeakPolarHBondContact O-CG 3.18Å; E127-K131 PolarHBondContact O-N 2.95Å; E127-K131 VanDerWaalsContact OE1-CE 3.25Å; E127-K131 WeakPolarHBondContact OE1-CE 3.35Å; E127-K131 IonicContact OE1-NZ 2.62Å; E127-K131 PolarHBondContact OE1-NZ 2.93Å; A128-K131 PolarHBondContact O-N 3.31Å
132E68.4Low75.8Confident167 Ų16797.9 Ų97.978%0.7851%0.505SS*.Hα-helixtrans-70.4-37.2172.9-76.3-157.2152.100112.4A128 A129 G134 G135A128-E132 PolarHBondContact O-N 3.44Å; A129-E132 PolarHBondContact O-N 3.49Å; E132-G134 VanDerWaalsContact C-N 3.26Å; E132-G134 PolarHBondContact O-N 2.66Å; E132-G135 PolarHBondContact O-N 3.36Å
133M59.9Low75Confident100 Ų10092.9 Ų92.949%0.49349%0.49SS..Hα-helixtrans-73.9-14.2-178.9-176.3164.7-78.200113.4A129 A130 G135 M138A129-M133 WeakPolarHBondContact O-CA 3Å; A129-M133 WeakPolarHBondContact O-CB 3.49Å; A129-M133 PolarHBondContact O-N 3.48Å; A130-M133 PolarHBondContact O-N 3.32Å; M133-G135 VanDerWaalsContact C-N 3.26Å; M133-G135 PolarHBondContact O-N 3.47Å; M133-M138 HydrophobicContact CB-CG 4.33Å; M133-M138 HydrophobicContact CE-CE 3.74Å; M133-M138 HydrophobicContact CG-CG 3.86Å; M133-M138 WeakPolarHBondContact O-CB 3.49Å
134G57.4Low74Confident52 Ų5291.5 Ų91.554%0.53649%0.487SS..THydrogen-bonded Turntrans-77.1-5.5173.100000114.6A130 E132A130-G134 PolarHBondContact O-N 3.43Å; E132-G134 VanDerWaalsContact C-N 3.26Å; E132-G134 PolarHBondContact O-N 2.66Å
135G68Low73.1Confident32 Ų3288.6 Ų88.633%0.3349%0.487SS..SBendtrans-64.9143.4178.400000112.9E132 M133 V137 M138 Q139E132-G135 PolarHBondContact O-N 3.36Å; M133-G135 VanDerWaalsContact C-N 3.26Å; M133-G135 PolarHBondContact O-N 3.47Å; G135-V137 PolarHBondContact O-N 3.42Å; G135-M138 PolarHBondContact O-N 3Å; G135-Q139 PolarHBondContact O-N 3.29Å
136R65.4Low72.3Confident162 Ų16291.9 Ų91.961%0.61150%0.496SS*.Hα-helixtrans-46.7-33.6173.6178.5178.1-91-100.4-2.6112.9C140R136-C140 PolarHBondContact O-N 2.98Å; R136-C140 VanDerWaalsContact O-N 3.09Å; R136-C140 PolarHBondContact O-SG 2.77Å; R136-C140 VanDerWaalsContact O-SG 3.38Å
137V64.8Low71.8Confident35 Ų3593.1 Ų93.121%0.21250%0.502CS..Hα-helixtrans-70-39.3178.3-179.40000112.9G135 Q139 C140 L141 L156 W159G135-V137 PolarHBondContact O-N 3.42Å; V137-Q139 VanDerWaalsContact C-N 3.33Å; V137-C140 WeakPolarHBondContact O-CB 3.36Å; V137-C140 PolarHBondContact O-N 2.84Å; V137-C140 VanDerWaalsContact O-N 3.16Å; V137-L141 PolarHBondContact O-N 2.96Å; V137-L156 HydrophobicContact CG1-CD1 4.33Å; V137-W159 HydrophobicContact CG1-CB 4.16Å; V137-W159 HydrophobicContact CG1-CD2 3.42Å; V137-W159 VanDerWaalsContact CG1-CD2 3.42Å; V137-W159 HydrophobicContact CG1-CE3 3.74Å; V137-W159 HydrophobicContact CG1-CG 3.6Å; V137-W159 HydrophobicContact CG1-CH2 4.48Å; V137-W159 HydrophobicContact CG1-CZ2 4.24Å; V137-W159 HydrophobicContact CG1-CZ3 4.27Å; V137-W159 HydrophobicContact CG2-CG 4.3Å
138M70.1Confident71Confident62 Ų6289.4 Ų89.431%0.30549%0.485SS..Hα-helixtrans-73.9-30.2179.2-153.766.6140.300111.4M133 G135 C140 L141 N142M133-M138 HydrophobicContact CB-CG 4.33Å; M133-M138 HydrophobicContact CE-CE 3.74Å; M133-M138 HydrophobicContact CG-CG 3.86Å; M133-M138 WeakPolarHBondContact O-CB 3.49Å; G135-M138 PolarHBondContact O-N 3Å; M138-C140 VanDerWaalsContact C-N 3.34Å; M138-L141 PolarHBondContact O-N 3.46Å; M138-L141 HydrophobicContact SD-CD1 3.66Å; M138-N142 WeakPolarHBondContact O-CB 3.39Å; M138-N142 PolarHBondContact O-N 3.38Å
139Q68Low70.8Confident132 Ų13288.6 Ų88.662%0.61748%0.482SS*.Hα-helixtrans-62-41.4166.1-74176.4-0.800111.4G135 V137 L141 N142 A143G135-Q139 PolarHBondContact O-N 3.29Å; V137-Q139 VanDerWaalsContact C-N 3.33Å; Q139-L141 VanDerWaalsContact C-N 3.34Å; Q139-L141 PolarHBondContact O-N 3.47Å; Q139-N142 PolarHBondContact O-N 3.33Å; Q139-A143 VanDerWaalsContact O-CB 3.22Å; Q139-A143 WeakPolarHBondContact O-CB 3.31Å; Q139-A143 PolarHBondContact O-N 3.35Å
140C67.6Low70.9Confident16 Ų1692.8 Ų92.811%0.10850%0.497CS..Hα-helixtrans-63.6-36.5173.5-73.30000113R136 V137 M138 L148 L156R136-C140 PolarHBondContact O-N 2.98Å; R136-C140 VanDerWaalsContact O-N 3.09Å; R136-C140 PolarHBondContact O-SG 2.77Å; R136-C140 VanDerWaalsContact O-SG 3.38Å; V137-C140 WeakPolarHBondContact O-CB 3.36Å; V137-C140 PolarHBondContact O-N 2.84Å; V137-C140 VanDerWaalsContact O-N 3.16Å; M138-C140 VanDerWaalsContact C-N 3.34Å; C140-L148 HydrophobicContact CB-CD2 3.94Å; C140-L156 HydrophobicContact CB-CD1 4.05Å; C140-L156 HydrophobicContact CB-CD2 4.35Å
141L71.1Confident71Confident71 Ų7193.3 Ų93.337%0.37250%0.501SS..Hα-helixtrans-70.4-33.5176.9-74.6169.6000113.4V137 M138 Q139 L156 W159V137-L141 PolarHBondContact O-N 2.96Å; M138-L141 PolarHBondContact O-N 3.46Å; M138-L141 HydrophobicContact SD-CD1 3.66Å; Q139-L141 VanDerWaalsContact C-N 3.34Å; Q139-L141 PolarHBondContact O-N 3.47Å; L141-L156 HydrophobicContact CD2-CD1 3.75Å; L141-L156 HydrophobicContact CG-CD1 3.86Å; L141-W159 HydrophobicContact CD1-CH2 4.17Å; L141-W159 HydrophobicContact CD1-CZ3 3.83Å
142N72.5Confident71.1Confident128 Ų12889.9 Ų89.968%0.68449%0.487SS*.Hα-helixtrans-87.7-14.8178.3-79.3-20.8000113.4M138 Q139M138-N142 WeakPolarHBondContact O-CB 3.39Å; M138-N142 PolarHBondContact O-N 3.38Å; Q139-N142 PolarHBondContact O-N 3.33Å
143A73Confident71.7Confident39 Ų3985.7 Ų85.732%0.32247%0.47SS..SBendtrans-74.1152.4176.900000111.1Q139 V145 L148Q139-A143 VanDerWaalsContact O-CB 3.22Å; Q139-A143 WeakPolarHBondContact O-CB 3.31Å; Q139-A143 PolarHBondContact O-N 3.35Å; A143-V145 PolarHBondContact O-N 3.17Å; A143-L148 HydrophobicContact CB-CD1 3.35Å
144N72.4Confident72.8Confident103 Ų10386.1 Ų86.155%0.55147%0.471SS*.  trans-62126.3169.6-109.5-25.6000108.6F146 E147N144-F146 PolarHBondContact O-N 3.46Å; N144-E147 HydrophobicContact CB-CB 4.34Å; N144-E147 HydrophobicContact CB-CG 4.02Å; N144-E147 PolarHBondContact O-N 3.15Å
145V71.9Confident74.1Confident94 Ų9488.1 Ų88.157%0.5747%0.466SS*.G310 helixtrans-55.3-27.9178.8173.90000111.9A143 E147 L153A143-V145 PolarHBondContact O-N 3.17Å; V145-E147 VanDerWaalsContact C-N 3.33Å; V145-L153 HydrophobicContact CG1-CD1 4.3Å
146F71.1Confident74.7Confident196 Ų19687.6 Ų87.686%0.8646%0.456SS*.G310 helixtrans-76.7-13.2177.4-57.7-74.2000114.8N144N144-F146 PolarHBondContact O-N 3.46Å
147E75.3Confident75.7Confident154 Ų15484.9 Ų84.972%0.7245%0.45SS*.G310 helixtrans-98.5-7.5177.5-65.6-169.4-17500112.9N144 V145N144-E147 HydrophobicContact CB-CB 4.34Å; N144-E147 HydrophobicContact CB-CG 4.02Å; N144-E147 PolarHBondContact O-N 3.15Å; V145-E147 VanDerWaalsContact C-N 3.33Å
148L70.8Confident76.8Confident26 Ų2690.7 Ų90.714%0.13647%0.473CS..SBendtrans-82.3133.5176.6-99.171.8000111.9C140 A143 E152 L153 L156C140-L148 HydrophobicContact CB-CD2 3.94Å; A143-L148 HydrophobicContact CB-CD1 3.35Å; L148-E152 WeakPolarHBondContact CA-OE2 3.33Å; L148-E152 HydrophobicContact CB-CB 4.34Å; L148-E152 HydrophobicContact CD2-CB 3.98Å; L148-E152 HydrophobicContact CG-CB 3.94Å; L148-L153 HydrophobicContact CB-CD1 3.92Å; L148-L156 HydrophobicContact CD2-CD2 4.21Å
149G80.6Confident77.4Confident37 Ų3792.8 Ų92.838%0.38148%0.477SS..  trans-70.7163.217000000112.6A151 E152 L153G149-A151 VanDerWaalsContact C-N 3.27Å; G149-A151 PolarHBondContact O-N 3.02Å; G149-E152 PolarHBondContact N-OE2 3.27Å; G149-E152 PolarHBondContact O-N 2.85Å; G149-E152 VanDerWaalsContact O-N 3.11Å; G149-L153 PolarHBondContact O-N 2.92Å
150L82.9Confident78.3Confident136 Ų13690.6 Ų90.671%0.71247%0.469SS*.Hα-helixtrans-57.7-37.6-178.1-172.6143.2000113.2L153 Q154L150-L153 PolarHBondContact O-N 3.48Å; L150-Q154 HydrophobicContact CD2-CG 4.35Å; L150-Q154 WeakPolarHBondContact O-CG 3.22Å; L150-Q154 PolarHBondContact O-N 2.91Å
151A82Confident79.4Confident72 Ų7295.1 Ų95.160%0.59549%0.489SS*.Hα-helixtrans-66.1-40.5177.800000112.5G149 Q154 E155G149-A151 VanDerWaalsContact C-N 3.27Å; G149-A151 PolarHBondContact O-N 3.02Å; A151-Q154 PolarHBondContact O-N 3.16Å; A151-E155 PolarHBondContact O-N 3.37Å
152E79.8Confident80.3Confident73 Ų7394.8 Ų94.834%0.34150%0.496SS..Hα-helixtrans-70.1-37.2178.9-62.4168.4155.600110.6L148 G149 E155 L156L148-E152 WeakPolarHBondContact CA-OE2 3.33Å; L148-E152 HydrophobicContact CB-CB 4.34Å; L148-E152 HydrophobicContact CD2-CB 3.98Å; L148-E152 HydrophobicContact CG-CB 3.94Å; G149-E152 PolarHBondContact N-OE2 3.27Å; G149-E152 PolarHBondContact O-N 2.85Å; G149-E152 VanDerWaalsContact O-N 3.11Å; E152-E155 PolarHBondContact O-N 3.02Å; E152-L156 WeakPolarHBondContact O-CB 3.45Å; E152-L156 PolarHBondContact O-N 3.24Å
153L80.6Confident81Confident80 Ų8091.2 Ų91.242%0.41948%0.479SS..Hα-helixtrans-64.9-40175.2-133.6114.1000112V145 L148 G149 L150 L156 Q157V145-L153 HydrophobicContact CG1-CD1 4.3Å; L148-L153 HydrophobicContact CB-CD1 3.92Å; G149-L153 PolarHBondContact O-N 2.92Å; L150-L153 PolarHBondContact O-N 3.48Å; L153-L156 PolarHBondContact O-N 3.33Å; L153-Q157 WeakPolarHBondContact O-CB 3.35Å; L153-Q157 PolarHBondContact O-N 2.96Å
154Q84.4Confident81.8Confident109 Ų10993 Ų9351%0.50948%0.483SS..Hα-helixtrans-67.5-37.4174.4-76.3-176.7-42.700112.4L150 A151 Q157 K158L150-Q154 HydrophobicContact CD2-CG 4.35Å; L150-Q154 WeakPolarHBondContact O-CG 3.22Å; L150-Q154 PolarHBondContact O-N 2.91Å; A151-Q154 PolarHBondContact O-N 3.16Å; Q154-Q157 PolarHBondContact O-N 3.38Å; Q154-K158 PolarHBondContact O-N 3.32Å; Q154-K158 VanDerWaalsContact O-N 3.09Å
155E82.8Confident82.9Confident93 Ų9389.8 Ų89.844%0.43548%0.475SS..Hα-helixtrans-65.4-43.9174.9-169.1173.9-166.400110.9A151 E152 Q157 K158 W159A151-E155 PolarHBondContact O-N 3.37Å; E152-E155 PolarHBondContact O-N 3.02Å; E155-Q157 PolarHBondContact O-N 2.98Å; E155-K158 PolarHBondContact O-N 3.34Å; E155-W159 PolarHBondContact O-N 3.09Å; E155-W159 VanDerWaalsContact O-N 3.13Å
156L82Confident83.9Confident22 Ų2288 Ų8812%0.11547%0.469CS..Hα-helixtrans-62.3-42.1175.4-176.261.5000112.2V137 C140 L141 L148 E152 L153 W159 L160V137-L156 HydrophobicContact CG1-CD1 4.33Å; C140-L156 HydrophobicContact CB-CD1 4.05Å; C140-L156 HydrophobicContact CB-CD2 4.35Å; L141-L156 HydrophobicContact CD2-CD1 3.75Å; L141-L156 HydrophobicContact CG-CD1 3.86Å; L148-L156 HydrophobicContact CD2-CD2 4.21Å; E152-L156 WeakPolarHBondContact O-CB 3.45Å; E152-L156 PolarHBondContact O-N 3.24Å; L153-L156 PolarHBondContact O-N 3.33Å; L156-W159 PolarHBondContact O-N 3.01Å; L156-L160 HydrophobicContact CG-CD1 4.24Å; L156-L160 WeakPolarHBondContact O-CG 3.41Å; L156-L160 PolarHBondContact O-N 2.92Å
157Q85.2Confident85Confident104 Ų10483 Ų8349%0.48645%0.454SS..Hα-helixtrans-58.5-52.5175.2-179.5-168-7.400111.4L153 Q154 E155 W159 L160 E161L153-Q157 WeakPolarHBondContact O-CB 3.35Å; L153-Q157 PolarHBondContact O-N 2.96Å; Q154-Q157 PolarHBondContact O-N 3.38Å; E155-Q157 PolarHBondContact O-N 2.98Å; Q157-W159 PolarHBondContact O-N 2.97Å; Q157-L160 PolarHBondContact O-N 3.35Å; Q157-L160 VanDerWaalsContact O-N 3.14Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.41Å; Q157-E161 PolarHBondContact NE2-OE1 3.29Å; Q157-E161 WeakPolarHBondContact O-CG 3.35Å; Q157-E161 PolarHBondContact O-N 3.05Å
158K88Confident85.9Confident158 Ų15881.1 Ų81.169%0.68744%0.444SS*.Hα-helixtrans-57-38.3179.9-79.8-177.7178178.10112Q154 E155 A162Q154-K158 PolarHBondContact O-N 3.32Å; Q154-K158 VanDerWaalsContact O-N 3.09Å; E155-K158 PolarHBondContact O-N 3.34Å; K158-A162 PolarHBondContact O-N 3.19Å; K158-A162 VanDerWaalsContact O-N 3.11Å
159W84.1Confident87Confident106 Ų10686.1 Ų86.140%0.40247%0.467SS..Hα-helixtrans-70.1-43.1177.7-173.391.3000112.5V137 L141 E155 L156 Q157 E161 A162 V163V137-W159 HydrophobicContact CG1-CB 4.16Å; V137-W159 HydrophobicContact CG1-CD2 3.42Å; V137-W159 VanDerWaalsContact CG1-CD2 3.42Å; V137-W159 HydrophobicContact CG1-CE3 3.74Å; V137-W159 HydrophobicContact CG1-CG 3.6Å; V137-W159 HydrophobicContact CG1-CH2 4.48Å; V137-W159 HydrophobicContact CG1-CZ2 4.24Å; V137-W159 HydrophobicContact CG1-CZ3 4.27Å; V137-W159 HydrophobicContact CG2-CG 4.3Å; L141-W159 HydrophobicContact CD1-CH2 4.17Å; L141-W159 HydrophobicContact CD1-CZ3 3.83Å; E155-W159 PolarHBondContact O-N 3.09Å; E155-W159 VanDerWaalsContact O-N 3.13Å; L156-W159 PolarHBondContact O-N 3.01Å; Q157-W159 PolarHBondContact O-N 2.97Å; W159-E161 VanDerWaalsContact C-N 3.3Å; W159-E161 PolarHBondContact O-N 3.41Å; W159-A162 WeakPolarHBondContact O-CB 3.44Å; W159-A162 PolarHBondContact O-N 2.98Å; W159-A162 VanDerWaalsContact O-N 3.15Å; W159-V163 HydrophobicContact CD2-CG2 3.82Å; W159-V163 HydrophobicContact CE3-CG2 3.8Å; W159-V163 HydrophobicContact CH2-CG2 3.59Å; W159-V163 HydrophobicContact CZ2-CG2 3.59Å; W159-V163 HydrophobicContact CZ3-CB 4.49Å; W159-V163 HydrophobicContact CZ3-CG2 3.68Å; W159-V163 WeakPolarHBondContact O-CG2 3.41Å; W159-V163 PolarHBondContact O-N 3.4Å
160L86Confident87.7Confident86 Ų8689.7 Ų89.745%0.4547%0.472SS..Hα-helixtrans-60.5-40.2175.7-78.2168.9000111.9L156 Q157 V163 D164L156-L160 HydrophobicContact CG-CD1 4.24Å; L156-L160 WeakPolarHBondContact O-CG 3.41Å; L156-L160 PolarHBondContact O-N 2.92Å; Q157-L160 PolarHBondContact O-N 3.35Å; Q157-L160 VanDerWaalsContact O-N 3.14Å; L160-V163 PolarHBondContact O-N 3.42Å; L160-D164 WeakPolarHBondContact O-CB 3.39Å; L160-D164 PolarHBondContact O-N 3.41Å
161E90.8Very high88.1Confident110 Ų11085.2 Ų85.251%0.51446%0.455SS..Hα-helixtrans-62.8-40.6174.2-72172.5-17700111.9Q157 W159 D164 G165Q157-E161 WeakPolarHBondContact CG-OE1 3.41Å; Q157-E161 PolarHBondContact NE2-OE1 3.29Å; Q157-E161 WeakPolarHBondContact O-CG 3.35Å; Q157-E161 PolarHBondContact O-N 3.05Å; W159-E161 VanDerWaalsContact C-N 3.3Å; W159-E161 PolarHBondContact O-N 3.41Å; E161-D164 PolarHBondContact O-N 3.03Å; E161-G165 PolarHBondContact O-N 3.03Å
162A90Very high88.7Confident64 Ų6486.8 Ų86.853%0.52945%0.453SS..Hα-helixtrans-65.4-41.7175.900000112.2K158 W159 G165 A166K158-A162 PolarHBondContact O-N 3.19Å; K158-A162 VanDerWaalsContact O-N 3.11Å; W159-A162 WeakPolarHBondContact O-CB 3.44Å; W159-A162 PolarHBondContact O-N 2.98Å; W159-A162 VanDerWaalsContact O-N 3.15Å; A162-G165 PolarHBondContact O-N 3.43Å; A162-A166 PolarHBondContact O-N 2.88Å
163V87.6Confident89.4Confident54 Ų5488.6 Ų88.633%0.32746%0.457SS..Hα-helixtrans-65.4-44.3176.3171.40000111.2W159 L160 G165 A166 V167W159-V163 HydrophobicContact CD2-CG2 3.82Å; W159-V163 HydrophobicContact CE3-CG2 3.8Å; W159-V163 HydrophobicContact CH2-CG2 3.59Å; W159-V163 HydrophobicContact CZ2-CG2 3.59Å; W159-V163 HydrophobicContact CZ3-CB 4.49Å; W159-V163 HydrophobicContact CZ3-CG2 3.68Å; W159-V163 WeakPolarHBondContact O-CG2 3.41Å; W159-V163 PolarHBondContact O-N 3.4Å; L160-V163 PolarHBondContact O-N 3.42Å; V163-G165 VanDerWaalsContact C-N 3.31Å; V163-G165 PolarHBondContact O-N 3.44Å; V163-A166 PolarHBondContact O-N 3.11Å; V163-V167 HydrophobicContact CG1-CG2 4.33Å; V163-V167 VanDerWaalsContact O-CG2 3.31Å; V163-V167 WeakPolarHBondContact O-CG2 3.41Å; V163-V167 PolarHBondContact O-N 3.18Å
164D90.5Very high89.9Confident76 Ų7689.5 Ų89.541%0.40646%0.461SS..Hα-helixtrans-59-43175.1177.661000111.5L160 E161 V167 K168L160-D164 WeakPolarHBondContact O-CB 3.39Å; L160-D164 PolarHBondContact O-N 3.41Å; E161-D164 PolarHBondContact O-N 3.03Å; D164-V167 PolarHBondContact O-N 2.93Å; D164-K168 WeakPolarHBondContact O-CB 3.38Å; D164-K168 VanDerWaalsContact O-CG 3.3Å; D164-K168 WeakPolarHBondContact O-CG 3.31Å; D164-K168 PolarHBondContact O-N 2.91Å; D164-K168 WeakPolarHBondContact OD1-CE 3.41Å; D164-K168 IonicContact OD1-NZ 2.66Å; D164-K168 WeakPolarHBondContact OD2-CE 3.47Å; D164-K168 IonicContact OD2-NZ 2.71Å; D164-K168 PolarHBondContact OD2-NZ 2.88Å
165G94.1Very high90.2Very high36 Ų3689.9 Ų89.937%0.37147%0.466SS..Hα-helixtrans-58.2-48172.800000113.2E161 A162 V163 V167 K168 E169E161-G165 PolarHBondContact O-N 3.03Å; A162-G165 PolarHBondContact O-N 3.43Å; V163-G165 VanDerWaalsContact C-N 3.31Å; V163-G165 PolarHBondContact O-N 3.44Å; G165-V167 PolarHBondContact O-N 3.38Å; G165-K168 PolarHBondContact O-N 3.44Å; G165-E169 PolarHBondContact O-N 3.21Å
166A93Very high90.5Very high56 Ų5688.3 Ų88.346%0.46347%0.469SS..Hα-helixtrans-65-39.1179.500000112.7A162 V163 E169 K170A162-A166 PolarHBondContact O-N 2.88Å; V163-A166 PolarHBondContact O-N 3.11Å; A166-E169 PolarHBondContact O-N 2.88Å; A166-K170 WeakPolarHBondContact O-CB 3.46Å; A166-K170 PolarHBondContact O-N 3.49Å
167V93.7Very high90.9Very high90 Ų9091.6 Ų91.655%0.54548%0.483SS..Hα-helixtrans-63.8-45.4175.11710000110.5V163 D164 G165 E169 K170 A171V163-V167 HydrophobicContact CG1-CG2 4.33Å; V163-V167 VanDerWaalsContact O-CG2 3.31Å; V163-V167 WeakPolarHBondContact O-CG2 3.41Å; V163-V167 PolarHBondContact O-N 3.18Å; D164-V167 PolarHBondContact O-N 2.93Å; G165-V167 PolarHBondContact O-N 3.38Å; V167-E169 PolarHBondContact O-N 3.43Å; V167-K170 PolarHBondContact O-N 3.39Å; V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 3.25Å
168K95.3Very high91Very high115 Ų11588.6 Ų88.650%0.548%0.476SS..Hα-helixtrans-60.3-43.9176.1-75.3169.2177.1168.80112.1D164 G165 A171 N172D164-K168 WeakPolarHBondContact O-CB 3.38Å; D164-K168 VanDerWaalsContact O-CG 3.3Å; D164-K168 WeakPolarHBondContact O-CG 3.31Å; D164-K168 PolarHBondContact O-N 2.91Å; D164-K168 WeakPolarHBondContact OD1-CE 3.41Å; D164-K168 IonicContact OD1-NZ 2.66Å; D164-K168 WeakPolarHBondContact OD2-CE 3.47Å; D164-K168 IonicContact OD2-NZ 2.71Å; D164-K168 PolarHBondContact OD2-NZ 2.88Å; G165-K168 PolarHBondContact O-N 3.44Å; K168-A171 PolarHBondContact O-N 3.31Å; K168-N172 WeakPolarHBondContact O-CB 3.37Å; K168-N172 VanDerWaalsContact O-CG 3.22Å; K168-N172 PolarHBondContact O-N 3.39Å; K168-N172 PolarHBondContact O-ND2 2.97Å
169E94.3Very high91Very high131 Ų13190 Ų9061%0.61248%0.477SS*.Hα-helixtrans-61.1-47.9175.8-170.6-165.4146.700111.5G165 A166 V167 A171 N172 R173G165-E169 PolarHBondContact O-N 3.21Å; A166-E169 PolarHBondContact O-N 2.88Å; V167-E169 PolarHBondContact O-N 3.43Å; E169-A171 VanDerWaalsContact C-N 3.32Å; E169-A171 PolarHBondContact O-N 3.36Å; E169-N172 PolarHBondContact O-N 3.01Å; E169-R173 PolarHBondContact O-N 3.48Å
170K94.3Very high91Very high112 Ų11287.6 Ų87.649%0.48748%0.48SS..Hα-helixtrans-60.4-42.5178.4-162.390.4175.3-158.50111.5A166 V167 R173 I174A166-K170 WeakPolarHBondContact O-CB 3.46Å; A166-K170 PolarHBondContact O-N 3.49Å; V167-K170 PolarHBondContact O-N 3.39Å; K170-R173 PolarHBondContact O-N 2.9Å; K170-I174 HydrophobicContact CG-CD1 4.41Å; K170-I174 WeakPolarHBondContact O-CG1 3.39Å; K170-I174 PolarHBondContact O-N 2.89Å
171A92.5Very high90.7Very high43 Ų4392.5 Ų92.536%0.35549%0.493SS..Hα-helixtrans-63.2-46176.500000111.7V167 K168 E169 R173 I174 L175V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 3.25Å; K168-A171 PolarHBondContact O-N 3.31Å; E169-A171 VanDerWaalsContact C-N 3.32Å; E169-A171 PolarHBondContact O-N 3.36Å; A171-R173 VanDerWaalsContact C-N 3.29Å; A171-R173 PolarHBondContact O-N 2.9Å; A171-I174 PolarHBondContact O-N 3.41Å; A171-L175 WeakPolarHBondContact O-CG 3.36Å; A171-L175 PolarHBondContact O-N 2.91Å
172N94.4Very high89.7Confident104 Ų10494.3 Ų94.356%0.55650%0.501SS*.Hα-helixtrans-60.4-39.8176-73.5-23.6000111.9K168 E169 L175 A176K168-N172 WeakPolarHBondContact O-CB 3.37Å; K168-N172 VanDerWaalsContact O-CG 3.22Å; K168-N172 PolarHBondContact O-N 3.39Å; K168-N172 PolarHBondContact O-ND2 2.97Å; E169-N172 PolarHBondContact O-N 3.01Å; N172-L175 PolarHBondContact O-N 3.49Å; N172-A176 WeakPolarHBondContact O-CB 3.3Å; N172-A176 PolarHBondContact O-N 3.43Å
173R93.5Very high88.5Confident112 Ų11296.2 Ų96.242%0.42351%0.507SS..Hα-helixtrans-63.8-46175.7-167.7179.373.8-157.914.8112.2E169 K170 A171 L175 A176 E177E169-R173 PolarHBondContact O-N 3.48Å; K170-R173 PolarHBondContact O-N 2.9Å; A171-R173 VanDerWaalsContact C-N 3.29Å; A171-R173 PolarHBondContact O-N 2.9Å; R173-L175 VanDerWaalsContact C-N 3.3Å; R173-L175 PolarHBondContact O-N 3.42Å; R173-A176 PolarHBondContact O-N 2.94Å; R173-E177 IonicContact NE-OE1 3.64Å; R173-E177 WeakPolarHBondContact O-CG 3.5Å; R173-E177 PolarHBondContact O-N 3.36Å
174I91.8Very high87.1Confident98 Ų9898 Ų9850%0.50353%0.526SS..Hα-helixtrans-60.7-42.2176.6-68.9166.7000110.6K170 A171 E177 A178K170-I174 HydrophobicContact CG-CD1 4.41Å; K170-I174 WeakPolarHBondContact O-CG1 3.39Å; K170-I174 PolarHBondContact O-N 2.89Å; A171-I174 PolarHBondContact O-N 3.41Å; I174-E177 PolarHBondContact O-N 3.15Å; I174-A178 WeakPolarHBondContact O-CB 3.45Å; I174-A178 PolarHBondContact O-N 3.42Å
175L90.6Very high85.1Confident117 Ų117105 Ų10561%0.61355%0.547SS*.Hα-helixtrans-64.1-41.1175.8-74.5169.5000112.2A171 N172 R173 A178 R179A171-L175 WeakPolarHBondContact O-CG 3.36Å; A171-L175 PolarHBondContact O-N 2.91Å; N172-L175 PolarHBondContact O-N 3.49Å; R173-L175 VanDerWaalsContact C-N 3.3Å; R173-L175 PolarHBondContact O-N 3.42Å; L175-A178 PolarHBondContact O-N 3.22Å; L175-R179 WeakPolarHBondContact O-CB 3.18Å; L175-R179 PolarHBondContact O-N 2.62Å
176A89.3Confident82.6Confident60 Ų60105.6 Ų105.650%0.49655%0.553SS.*Hα-helixtrans-65.1-43.8176.200000111.9N172 R173 R179 A180N172-A176 WeakPolarHBondContact O-CB 3.3Å; N172-A176 PolarHBondContact O-N 3.43Å; R173-A176 PolarHBondContact O-N 2.94Å; A176-R179 PolarHBondContact O-N 3.31Å; A176-A180 WeakPolarHBondContact O-CB 3.39Å; A176-A180 PolarHBondContact O-N 3.28Å
177E90.4Very high80.4Confident91 Ų91108.7 Ų108.743%0.42557%0.569SS.*Hα-helixtrans-62.1-42.3174.8-73.5174.8-157.700111.6R173 I174 A180 R181R173-E177 IonicContact NE-OE1 3.64Å; R173-E177 WeakPolarHBondContact O-CG 3.5Å; R173-E177 PolarHBondContact O-N 3.36Å; I174-E177 PolarHBondContact O-N 3.15Å; E177-A180 PolarHBondContact O-N 3.26Å; E177-R181 VanDerWaalsContact O-CG 3.31Å; E177-R181 WeakPolarHBondContact O-CG 3.43Å; E177-R181 PolarHBondContact O-N 3.45Å
178A87.3Confident78Confident41 Ų41109.4 Ų109.434%0.33958%0.578SS.*Hα-helixtrans-63.4-41.5175.400000112I174 L175 R181 Q182I174-A178 WeakPolarHBondContact O-CB 3.45Å; I174-A178 PolarHBondContact O-N 3.42Å; L175-A178 PolarHBondContact O-N 3.22Å; A178-R181 PolarHBondContact O-N 2.88Å; A178-Q182 WeakPolarHBondContact O-CG 3.44Å; A178-Q182 PolarHBondContact O-N 3.27Å
179R87.4Confident75.5Confident188 Ų188111.6 Ų111.671%0.70959%0.594SS**Hα-helixtrans-65.8-43.3176.5-168.5174.4-176.4159.40.8111.8L175 A176 R181 Q182 T183L175-R179 WeakPolarHBondContact O-CB 3.18Å; L175-R179 PolarHBondContact O-N 2.62Å; A176-R179 PolarHBondContact O-N 3.31Å; R179-R181 VanDerWaalsContact C-N 3.31Å; R179-R181 PolarHBondContact O-N 2.95Å; R179-Q182 PolarHBondContact O-N 2.98Å; R179-Q182 VanDerWaalsContact O-N 3.11Å; R179-T183 PolarHBondContact O-N 3.24Å; R179-T183 PolarHBondContact O-OG1 2.98Å
180A83.4Confident73.5Confident56 Ų56111.1 Ų111.146%0.46360%0.6SS.*Hα-helixtrans-60.4-39.5176.200000112.1A176 E177 Q182 T183 A184A176-A180 WeakPolarHBondContact O-CB 3.39Å; A176-A180 PolarHBondContact O-N 3.28Å; E177-A180 PolarHBondContact O-N 3.26Å; A180-Q182 VanDerWaalsContact C-N 3.31Å; A180-Q182 PolarHBondContact O-N 3.38Å; A180-T183 WeakPolarHBondContact CA-OG1 3.42Å; A180-T183 PolarHBondContact O-N 2.95Å; A180-T183 PolarHBondContact O-OG1 2.92Å; A180-A184 WeakPolarHBondContact O-CB 3.45Å; A180-A184 PolarHBondContact O-N 3.14Å
181R81.6Confident71Confident188 Ų188111.2 Ų111.271%0.70961%0.612SS**Hα-helixtrans-64.2-33.3174.7-74.4175.4-177.4-1733.2113E177 A178 R179E177-R181 VanDerWaalsContact O-CG 3.31Å; E177-R181 WeakPolarHBondContact O-CG 3.43Å; E177-R181 PolarHBondContact O-N 3.45Å; A178-R181 PolarHBondContact O-N 2.88Å; R179-R181 VanDerWaalsContact C-N 3.31Å; R179-R181 PolarHBondContact O-N 2.95Å
182Q69Low68.6Low148 Ų148118.3 Ų118.369%0.69264%0.638SS**Hα-helixtrans-73.4-40.1175.7-69.2176.820.700111.7A178 R179 A180 R185A178-Q182 WeakPolarHBondContact O-CG 3.44Å; A178-Q182 PolarHBondContact O-N 3.27Å; R179-Q182 PolarHBondContact O-N 2.98Å; R179-Q182 VanDerWaalsContact O-N 3.11Å; A180-Q182 VanDerWaalsContact C-N 3.31Å; A180-Q182 PolarHBondContact O-N 3.38Å; Q182-R185 PolarHBondContact O-N 2.97Å
183T64Low66.5Low105 Ų105118.9 Ų118.964%0.64465%0.647SS**Hα-helixtrans-74.4-26178.746.40000114.1R179 A180 R185R179-T183 PolarHBondContact O-N 3.24Å; R179-T183 PolarHBondContact O-OG1 2.98Å; A180-T183 WeakPolarHBondContact CA-OG1 3.42Å; A180-T183 PolarHBondContact O-N 2.95Å; A180-T183 PolarHBondContact O-OG1 2.92Å; T183-R185 PolarHBondContact O-N 3.11Å
184A58Low64.2Low90 Ų90119.3 Ų119.374%0.74466%0.664SS**THydrogen-bonded Turntrans-72.3-15.2173.200000113A180 G186A180-A184 WeakPolarHBondContact O-CB 3.45Å; A180-A184 PolarHBondContact O-N 3.14Å; A184-G186 VanDerWaalsContact C-N 3.34Å; A184-G186 PolarHBondContact O-N 2.96Å
185R48.6Very low61.7Low224 Ų224123.5 Ų123.585%0.84568%0.684SS**SBendtrans-94.666.6172.2-140.3177.9-170.6-178.31.8108.7Q182 T183Q182-R185 PolarHBondContact O-N 2.97Å; T183-R185 PolarHBondContact O-N 3.11Å
186G43.2Very low59.6Low48 Ų48127.5 Ų127.550%0.49570%0.7SS.*  trans-56155.917500000112A184 S188A184-G186 VanDerWaalsContact C-N 3.34Å; A184-G186 PolarHBondContact O-N 2.96Å; G186-S188 PolarHBondContact O-N 3.42Å
187P46.7Very low57.4Low121 Ų121132.9 Ų132.979%0.78672%0.717SS**  trans-65.1109.4-174.228-31.4000108.8L189P187-L189 PolarHBondContact O-N 3.05Å
188S42.9Very low55.2Low106 Ų106135.8 Ų135.874%0.74174%0.735SS**  trans-68.6100.6171.5-177.30000107.7G186 V190G186-S188 PolarHBondContact O-N 3.42Å; S188-V190 PolarHBondContact O-N 2.92Å; S188-V190 VanDerWaalsContact O-N 3.15Å
189L42.5Very low52.9Low160 Ų160141.1 Ų141.184%0.83876%0.756SS**  trans-57.2109.9162.4-94.891.4000107.6P187P187-L189 PolarHBondContact O-N 3.05Å
190V51.6Low50.8Low121 Ų121136.4 Ų136.473%0.73376%0.757SS**PPolyproline II helixtrans-87.2120.5167.5-167.30000107.4S188S188-V190 PolarHBondContact O-N 2.92Å; S188-V190 VanDerWaalsContact O-N 3.15Å
191P42.5Very low48.9Very low114 Ų114139.1 Ų139.174%0.7477%0.773SS**PPolyproline II helixtrans-68.8131.3175.4-13.528.3000110.5
192Q42.1Very low47.2Very low192 Ų192135.8 Ų135.890%0.89777%0.774SS**PPolyproline II helixtrans-75.4131.4172.5-69.9-1743.700110.6
193P49.9Very low46Very low116 Ų116133.6 Ų133.675%0.75378%0.775SS**PPolyproline II helixtrans-83.1154.9167.732-30.6000111.8
194P44.7Very low45.2Very low121 Ų121139.3 Ų139.379%0.78679%0.785SS**PPolyproline II helixtrans-77.8144.5-165.431.6-33.8000113.3
195M41.2Very low44.9Very low187 Ų187142.6 Ų142.692%0.92178%0.784SS**PPolyproline II helixtrans-55.4121171.647.1-126.7-102.200114.5
196E45.7Very low44.9Very low200 Ų200137.4 Ų137.494%0.93577%0.773SS**PPolyproline II helixtrans-99147.5158.5-85.2-168.7157.600111.1
197M42.4Very low45.2Very low174 Ų174142.8 Ų142.886%0.85779%0.785SS**  trans-111.6118.8-154.9-176.5-171.5-49.600108.9
198D43.8Very low45.4Very low151 Ų151142.9 Ų142.981%0.80779%0.789SS**  trans-140.896.5162.1-100.7-41.2000111.8
199I40.8Very low45.4Very low154 Ų154141.1 Ų141.179%0.7979%0.787SS**  trans10.2105.5135.122.9173.7000118
200A42.9Very low45.5Very low88 Ų88139.9 Ų139.973%0.72779%0.786SS**  170.7120.211500000112.2
201S43.5Very low45.2Very low114 Ų114144.9 Ų144.980%0.79779%0.792SS**  46.2132.8129.3-60.40000120.3
202T45.1Very low45.3Very low118 Ų118146.8 Ų146.872%0.72479%0.79SS**  cis-175.3158.64.1-65.10000105.9
203S44.5Very low45.3Very low102 Ų102144.7 Ų144.771%0.71378%0.784SS**  trans99.987.4160.1-140.60000115.6
204R47.3Very low44.7Very low224 Ų224142.3 Ų142.385%0.84578%0.781SS**  62.7113.279.4-64.4-170.9-162.2-173.17113.5
205H50.1Low44.9Very low160 Ų160140.9 Ų140.974%0.74178%0.779SS**  169.5107.8110.8-151.565.3000108.6
206L48.7Very low44.7Very low114 Ų114139.8 Ų139.860%0.59778%0.777SS**  60.1136.3108-89.176.7000113.7
207Q50.4Low44.7Very low161 Ų161135.9 Ų135.975%0.75277%0.771SS**  cis-176.3152.412-132.3164.922.100107.4
208S50.2Low44.6Very low124 Ų124134.6 Ų134.687%0.86777%0.773SS**  trans68.3137.7144-164.70000118.4
209G43.2Very low44.5Very low68 Ų68131.4 Ų131.470%0.70177%0.768SS**  cis-175160.914.800000111.6
210T44.8Very low44.3Very low134 Ų134132.8 Ų132.882%0.82278%0.776SS**  trans-86.4170.4-169.2-41.30000112.8
211R45Very low44.2Very low227 Ų227133.9 Ų133.986%0.85778%0.778SS**  trans99.4143.7159-54.9178.1-179.8-171.5-0113.6
212H44.6Very low43.9Very low153 Ų153138.5 Ų138.571%0.70878%0.784SS**  cis-167.8142.24.5-145.8-115.9000107.9
213I43.5Very low43.8Very low149 Ų149137.5 Ų137.576%0.76479%0.788SS**  trans30.3132.9135.7-48.1-171.5000121.1
214G36.8Very low43.7Very low66 Ų66135 Ų13568%0.6878%0.778SS**  trans142.393.114900000112.4
215A48.3Very low43.8Very low91 Ų91130.6 Ų130.675%0.75278%0.779SS**  94.5118.492.400000112.9
216D37.3Very low43.3Very low163 Ų163128.4 Ų128.487%0.87278%0.781SS**  trans48.2109.7144.6-51.7-28.1000119.9
217S46.2Very low43.1Very low118 Ų118128.8 Ų128.883%0.82579%0.794SS**  -166.8125.1118.3-164.30000111.2A219S217-A219 PolarHBondContact O-N 3.47Å
218V40.2Very low42.7Very low147 Ų147126.7 Ų126.789%0.89180%0.797SS**  trans-72.6113.6171.7-80.40000109.7
219A41.6Very low42.2Very low85 Ų85128.5 Ų128.570%0.70280%0.797SS**  trans-131.997.8165.900000109.2S217 S221S217-A219 PolarHBondContact O-N 3.47Å; A219-S221 PolarHBondContact O-N 3.39Å
220L35.6Very low42.1Very low183 Ų183132.9 Ų132.996%0.95880%0.804SS**  trans-66.4109.2164.9-75.9163000107.7
221S41.6Very low41.6Very low111 Ų111130 Ų13078%0.77680%0.801SS**  trans-130.2115.9167.6-69.50000108.7A219 A223A219-S221 PolarHBondContact O-N 3.39Å; S221-A223 PolarHBondContact O-N 3.09Å
222F36Very low40.9Very low210 Ų210128.5 Ų128.592%0.92180%0.801SS**  trans-70.5105.4-177.7-170.6-95.5000109.3
223A43.1Very low40.9Very low98 Ų98127.7 Ų127.781%0.8181%0.806SS**  trans-98.4113.1168.900000109S221S221-A223 PolarHBondContact O-N 3.09Å
224G42.4Very low40.4Very low49 Ų49123.7 Ų123.751%0.50580%0.802SS.*  trans-67.3154.3168.700000111.4S226G224-S226 PolarHBondContact O-N 3.5Å; G224-S226 VanDerWaalsContact O-N 3.17Å
225P50Low40.2Very low132 Ų132124 Ų12486%0.85781%0.806SS**  trans-73.8112.3-177.128.9-30.9000110.4S227P225-S227 PolarHBondContact O-N 3.49Å
226S39Very low39.4Very low113 Ų113125.8 Ų125.879%0.7981%0.813SS**PPolyproline II helixtrans-65.5123.6158.8-79.20000108.9G224 S228G224-S226 PolarHBondContact O-N 3.5Å; G224-S226 VanDerWaalsContact O-N 3.17Å; S226-S228 PolarHBondContact O-N 3.34Å
227S44.6Very low39.5Very low122 Ų122123.5 Ų123.585%0.85381%0.807SS**PPolyproline II helixtrans-71.1122.9168.5-73.50000109.5P225 N229P225-S227 PolarHBondContact O-N 3.49Å; S227-N229 PolarHBondContact O-N 2.89Å
228S42.6Very low39.1Very low118 Ų118126.1 Ų126.183%0.82581%0.806SS**PPolyproline II helixtrans-59.6121178.2-570000112.3S226S226-S228 PolarHBondContact O-N 3.34Å
229N39.6Very low38.9Very low161 Ų161125.6 Ų125.686%0.86180%0.802SS**  trans-80.4111.8155.7-94.5-21.5000108.6S227S227-N229 PolarHBondContact O-N 2.89Å
230N41Very low38.7Very low160 Ų160129.1 Ų129.186%0.85680%0.804SS**  trans-103120.3144.2-83.46000104.3
231G34.5Very low38.6Very low73 Ų73126.8 Ų126.875%0.75379%0.793SS**  cis87.86746.400000109.3
232F31.2Very low38.7Very low197 Ų197125.2 Ų125.286%0.86478%0.78SS**  trans-146.6122.1155-166.6-109000110.5
233V44.2Very low38.8Very low135 Ų135120.6 Ų120.682%0.81876%0.764SS**  trans-101.7136-177.6177.80000107.1
234G32.1Very low38.7Very low66 Ų66120.1 Ų120.168%0.6875%0.748SS**  trans113.7122.1152.600000115.9
235G32.3Very low38.9Very low73 Ų73119.4 Ų119.475%0.75373%0.732SS**  trans119.694.8158.100000114P237G235-P237 WeakPolarHBondContact O-CD 3.39Å
236S32.4Very low38.5Very low128 Ų128117 Ų11790%0.89571%0.714SS**  trans-53.3140.9154.6-63.50000109.6
237P40.1Very low38.7Very low115 Ų115113.5 Ų113.575%0.74769%0.69SS**  trans-132.4156.513326.5-8.7000111.9G235G235-P237 WeakPolarHBondContact O-CD 3.39Å
238E36.9Very low38.2Very low173 Ų173111.1 Ų111.181%0.80869%0.685SS**  trans-53.1155.7-172.1-61.6-178.1108.700114.2H240E238-H240 PolarHBondContact O-N 2.99Å
239V37.2Very low37.8Very low135 Ų135108.3 Ų108.382%0.81867%0.674SS**  trans-5995.8171.61790000108.4D241V239-D241 PolarHBondContact O-N 3.13Å
240H37.4Very low37.4Very low160 Ų160111.1 Ų111.174%0.74167%0.673SS**  trans-72.5118.1169.2-87.6-76.7000109.3E238E238-H240 PolarHBondContact O-N 2.99Å
241D32.3Very low36.8Very low133 Ų133112 Ų11271%0.71168%0.677SS**  trans-53.4145.7169.8-80.6-42.5000111.1V239 L243V239-D241 PolarHBondContact O-N 3.13Å; D241-L243 PolarHBondContact O-N 3.23Å
242P43.3Very low36.8Very low78 Ų78115.4 Ų115.451%0.50667%0.673SS.*  trans-61.3110.1174.126-32.7000109.2L244P242-L244 PolarHBondContact O-N 3.11Å; P242-L244 VanDerWaalsContact O-N 3.1Å
243L38.4Very low36.8Very low114 Ų114113.3 Ų113.360%0.59767%0.671SS**  trans-72.6104.5174.9-148.998.9000108.1D241 I245D241-L243 PolarHBondContact O-N 3.23Å; L243-I245 HydrophobicContact CD2-CD1 3.61Å; L243-I245 HydrophobicContact CD2-CG1 3.57Å; L243-I245 HydrophobicContact CG-CG1 4.32Å
244L41.9Very low36.4Very low88 Ų88113.8 Ų113.846%0.46167%0.674SS.*EExtended strand (participates in β ladder)trans-91.6106.1170-155.697.2000107.6L28 P242 V246L28-L244 HydrophobicContact CD1-CD1 3.69Å; P242-L244 PolarHBondContact O-N 3.11Å; P242-L244 VanDerWaalsContact O-N 3.1Å; L244-V246 HydrophobicContact CD2-CG2 3.77Å; L244-V246 HydrophobicContact CG-CG2 4.38Å
245I46.1Very low36.7Very low34 Ų34117.3 Ų117.317%0.17469%0.686CS.*EExtended strand (participates in β ladder)trans-94.8111.7174.4-57.1177.3000107.6G44 F69 L243G44-I245 PolarHBondContact N-O 3.32Å; G44-I245 PolarHBondContact O-N 3.47Å; F69-I245 HydrophobicContact CB-CD1 4.5Å; F69-I245 HydrophobicContact CD1-CD1 4.11Å; F69-I245 HydrophobicContact CD2-CD1 3.95Å; F69-I245 HydrophobicContact CD2-CG2 3.9Å; F69-I245 HydrophobicContact CE1-CD1 4.3Å; F69-I245 HydrophobicContact CE2-CD1 4.15Å; F69-I245 HydrophobicContact CE2-CG2 4.36Å; F69-I245 HydrophobicContact CG-CD1 3.92Å; F69-I245 HydrophobicContact CZ-CD1 4.32Å; L243-I245 HydrophobicContact CD2-CD1 3.61Å; L243-I245 HydrophobicContact CD2-CG1 3.57Å; L243-I245 HydrophobicContact CG-CG1 4.32Å
246V41.1Very low36.9Very low80 Ų80116.6 Ų116.649%0.48568%0.679SS.*EExtended strand (participates in β ladder)trans-112104168.9-178.80000107.2L244 G248L244-V246 HydrophobicContact CD2-CG2 3.77Å; L244-V246 HydrophobicContact CG-CG2 4.38Å; V246-G248 PolarHBondContact O-N 3.23Å
247S43.6Very low37.1Very low40 Ų40119.2 Ų119.228%0.2868%0.682SS.*EExtended strand (participates in β ladder)trans-89.2100.2168.6-86.50000108.9G249S247-G249 PolarHBondContact O-N 3.03Å
248G34.2Very low36.9Very low72 Ų72117 Ų11774%0.74268%0.68SS**  trans-70.610917400000111.4V246V246-G248 PolarHBondContact O-N 3.23Å
249G34Very low37.1Very low59 Ų59114.7 Ų114.761%0.60868%0.683SS**  trans-79.4142.6161.400000110.5S247S247-G249 PolarHBondContact O-N 3.03Å
250R32.1Very low37.2Very low221 Ų221117.9 Ų117.983%0.83469%0.686SS**  trans-44.5127.9-171.6-126.6173.9-165.8-179.92.4114.7Q252R250-Q252 PolarHBondContact O-N 2.81Å
251L28.7Very low37.9Very low179 Ų179116.1 Ų116.194%0.93769%0.689SS**  trans-80.383167.3-168.385.4000109.7
252Q33.7Very low38.3Very low143 Ų143116.6 Ų116.667%0.66869%0.691SS**  trans-148.1139.5165.9-60-172.325.900108.6R250R250-Q252 PolarHBondContact O-N 2.81Å
253D30.7Very low38.4Very low153 Ų153119.1 Ų119.182%0.81870%0.701SS**  trans81.769.5174.1-57.4-27.3000119.5
254V37Very low38.8Very low146 Ų146121.6 Ų121.689%0.88571%0.709SS**  trans-144.775.2132.6-154.70000110.3
255C37Very low39.4Very low140 Ų140126.7 Ų126.795%0.94673%0.728SS**  trans-76.8119.8151.3-81.70000107.3
256G36.2Very low39.6Very low57 Ų57132.6 Ų132.659%0.58876%0.759SS**  trans153.6101.9165.100000116.2
257L38.4Very low39.9Very low184 Ų184138.4 Ų138.496%0.96378%0.781SS**  trans72106.5143-53.9172.4000118.1
258G35.8Very low40.6Very low69 Ų69143.7 Ų143.771%0.71184%0.842SS**  trans177.878.5163.600000112.3F260G258-F260 PolarHBondContact O-N 3.45Å
259S41.1Very low40.9Very low124 Ų124147.3 Ų147.387%0.86785%0.847SS**PPolyproline II helixtrans-52.5127.6175.8-670000113.1
260F39.3Very low41.3Very low201 Ų201151.9 Ų151.988%0.88286%0.859SS**PPolyproline II helixtrans-86125.8164.8-87.9-95.9000110.4G258G258-F260 PolarHBondContact O-N 3.45Å
261P52.2Low41.8Very low124 Ų124148.1 Ų148.181%0.80586%0.861SS**PPolyproline II helixtrans-87.2120.5160.930.1-25.2000110.4
262N39.8Very low42.6Very low142 Ų142146.2 Ų146.276%0.75986%0.856SS**PPolyproline II helixtrans-67131.9168.2-168.26.2000109.7
263N46.2Very low43.1Very low132 Ų132146.4 Ų146.471%0.70687%0.868SS**  trans-134.895.6164.1-155.4-79.9000109.6
264Q46.3Very low44Very low166 Ų166146 Ų14678%0.77687%0.871SS**  trans-60.4129.6156.5-84.3172.9-26.300109.3
265K53.1Low44.4Very low195 Ų195146 Ų14685%0.84887%0.87SS**  trans-125.4129.6154.9-99.2179.2178.6179.60110.5
266N52Low45Very low157 Ų157146.5 Ų146.584%0.8486%0.864SS**  trans-59.2151.4-166.4-77.9-36.5000116
267H47.1Very low45.8Very low202 Ų202153.9 Ų153.994%0.93589%0.887SS**  trans-65.2139.2150.2-87.1-76.1000111.1
268G57.9Low46.4Very low151 Ų151151.2 Ų151.2100%1.55788%0.88SS**  trans-148.1015600000106.8

Retrieved 268 of 268 residues in 119.5 ms (Link to these results)